#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bsm s LYS 4 N 0.00 2.62 -0.42 1.47 1.02 -1.26 -2.56 119.74 120.60 3bsm s LYS 4 Ca 0.00 1.40 -0.26 0.00 0.02 0.00 0.00 55.97 57.13 3bsm s LYS 4 Cb 0.00 -1.93 0.02 0.00 -0.52 0.00 0.00 37.83 35.41 3bsm s LYS 4 CO 0.00 -1.40 0.95 0.42 -0.92 0.00 0.00 175.35 174.41 3bsm s ILE 5 N -2.39 4.49 -0.04 2.17 1.01 0.17 -0.60 121.20 126.01 3bsm s ILE 5 Ca 0.67 1.01 0.09 0.00 0.00 0.00 0.00 60.65 62.42 3bsm s ILE 5 Cb -0.21 -4.41 -0.24 0.00 0.01 0.00 0.00 42.46 37.61 3bsm s ILE 5 CO 0.44 -0.72 0.68 0.08 0.00 0.00 0.00 174.94 175.42 3bsm h ARG 6 N 8.82 0.05 -2.64 2.79 -0.00 -1.36 0.02 114.38 122.07 3bsm h ARG 6 Ca -0.23 -0.08 -0.10 0.00 -0.00 0.00 0.00 59.98 59.57 3bsm h ARG 6 Cb 1.07 0.03 -0.20 0.00 -0.00 0.00 0.00 29.97 30.88 3bsm h ARG 6 CO 1.02 0.66 -0.10 0.34 -0.00 0.00 0.00 179.97 181.88 3bsm s ASP 7 N -6.31 -0.38 -0.18 0.08 2.15 -0.93 -4.88 116.67 106.23 3bsm s ASP 7 Ca -0.07 0.38 -0.15 0.00 0.43 0.00 0.00 52.55 53.14 3bsm s ASP 7 Cb 0.08 0.45 0.05 0.00 -0.30 0.00 0.00 42.92 43.20 3bsm s ASP 7 CO 0.82 -0.48 0.46 0.00 -0.17 0.00 0.00 175.17 175.80 3bsm s ALA 8 N -1.14 -1.15 0.15 3.66 0.00 -1.26 0.28 121.76 122.29 3bsm s ALA 8 Ca -0.12 1.38 -0.22 0.00 0.00 0.00 0.00 51.96 53.00 3bsm s ALA 8 Cb -0.03 -0.81 0.06 0.00 0.00 0.00 0.00 23.12 22.34 3bsm s ALA 8 CO 0.06 -0.23 0.57 1.52 0.00 0.00 0.00 175.76 177.68 3bsm s TYR 9 N 0.50 -0.50 0.29 0.00 1.13 -0.42 -4.96 117.35 113.39 3bsm s TYR 9 Ca -0.02 0.30 -0.01 0.00 -1.41 0.00 0.00 57.07 55.94 3bsm s TYR 9 Cb -0.04 0.51 -0.04 0.00 -1.10 0.00 0.00 41.96 41.29 3bsm s TYR 9 CO -0.02 -0.82 0.50 0.95 -2.51 0.00 0.00 175.55 173.65 3bsm s THR 10 N -3.64 5.13 -0.08 -3.49 -4.23 -1.26 -0.71 115.64 107.36 3bsm s THR 10 Ca 0.01 -0.38 -0.02 0.00 -1.18 0.00 0.00 61.69 60.12 3bsm s THR 10 Cb -0.01 -3.81 0.03 0.00 1.34 0.00 0.00 72.50 70.06 3bsm s THR 10 CO -0.12 -0.41 0.01 -0.63 -0.54 0.00 0.00 174.62 172.94 3bsm s ILE 11 N -2.14 0.32 -0.24 2.99 1.01 0.15 -4.95 121.20 118.34 3bsm s ILE 11 Ca 0.40 0.08 -0.05 0.00 0.00 0.00 0.00 60.65 61.08 3bsm s ILE 11 Cb -0.10 -0.54 -0.01 0.00 0.01 0.00 0.00 42.46 41.82 3bsm s ILE 11 CO 0.33 0.19 0.00 0.54 0.00 0.00 0.00 174.94 176.00 3bsm s VAL 12 N 1.99 3.64 0.21 2.92 0.11 -1.26 -0.89 120.40 127.11 3bsm s VAL 12 Ca 0.04 -0.51 0.04 0.00 -2.93 0.00 0.00 61.98 58.62 3bsm s VAL 12 Cb -0.13 -2.73 -0.05 0.00 -1.53 0.00 0.00 36.38 31.94 3bsm s VAL 12 CO -0.05 0.32 -0.04 0.28 -3.33 0.00 0.00 175.10 172.27 3bsm s THR 13 N 1.50 1.12 -0.35 5.04 -1.32 -0.79 -4.28 115.64 116.56 3bsm s THR 13 Ca 0.05 -2.05 0.15 0.00 -1.21 0.00 0.00 61.69 58.63 3bsm s THR 13 Cb -0.15 -2.18 0.42 0.00 -1.51 0.00 0.00 72.50 69.08 3bsm s THR 13 CO -0.01 -0.46 0.89 0.00 -2.21 0.00 0.00 174.62 172.83 3bsm n PRO 15 N 0.01 1.69 0.00 0.00 -0.04 -1.26 -3.74 135.00 131.67 3bsm n PRO 15 Ca 0.16 -1.06 0.00 0.00 -0.04 0.00 0.00 63.50 62.56 3bsm n PRO 15 Cb 0.76 -2.14 0.00 0.00 -0.04 0.00 0.00 33.50 32.07 3bsm n PRO 15 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3bsm n GLY 16 N 3.24 3.85 3.58 0.55 0.00 -1.26 -3.08 105.19 112.08 3bsm n GLY 16 Ca 0.36 -0.96 -0.10 0.00 0.00 0.00 0.00 46.02 45.32 3bsm n GLY 16 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3bsm s ARG 17 N 0.00 1.46 0.28 1.61 1.70 -1.25 -5.13 118.95 117.63 3bsm s ARG 17 Ca 0.00 -0.80 -0.29 0.00 -0.47 0.00 0.00 55.73 54.17 3bsm s ARG 17 Cb 0.00 0.56 -0.10 0.00 -0.57 0.00 0.00 34.95 34.84 3bsm s ARG 17 CO 0.00 -0.64 1.24 -0.80 -1.08 0.00 0.00 175.30 174.02 3bsm s ASN 18 N -2.86 6.96 -0.03 -2.89 0.01 -1.26 -4.06 114.94 110.82 3bsm s ASN 18 Ca 0.08 2.48 -0.01 0.00 -0.71 0.00 0.00 52.86 54.70 3bsm s ASN 18 Cb -0.02 -2.63 0.02 0.00 0.41 0.00 0.00 41.25 39.03 3bsm s ASN 18 CO -0.03 -0.41 0.06 -0.36 -1.51 0.00 0.00 177.10 174.85 3bsm s PHE 19 N -0.82 -0.04 -0.13 2.20 0.08 -0.13 -4.97 117.98 114.17 3bsm s PHE 19 Ca 0.49 0.19 0.01 0.00 0.12 0.00 0.00 56.93 57.74 3bsm s PHE 19 Cb -0.36 -0.11 -0.01 0.00 -0.57 0.00 0.00 43.02 41.96 3bsm s PHE 19 CO 0.45 -0.08 -0.15 0.08 -0.10 0.00 0.00 175.22 175.42 3bsm s VAL 20 N 0.69 2.84 0.01 -0.44 1.01 -1.26 -1.89 120.40 121.36 3bsm s VAL 20 Ca -0.06 -0.74 0.05 0.00 0.00 0.00 0.00 61.98 61.24 3bsm s VAL 20 Cb -0.08 -2.18 -0.02 0.00 0.00 0.00 0.00 36.38 34.11 3bsm s VAL 20 CO -0.02 0.53 -0.17 -0.89 0.00 0.00 0.00 175.10 174.55 3bsm s THR 21 N 0.40 1.32 -0.13 3.92 2.01 -0.07 -0.86 115.64 122.23 3bsm s THR 21 Ca -0.12 -0.88 -0.02 0.00 0.31 0.00 0.00 61.69 60.98 3bsm s THR 21 Cb -0.16 -1.13 -0.03 0.00 0.01 0.00 0.00 72.50 71.19 3bsm s THR 21 CO 0.06 0.24 -0.06 -0.22 -0.69 0.00 0.00 174.62 173.95 3bsm s LEU 22 N -0.75 3.16 -0.06 4.42 2.96 -0.41 0.31 118.68 128.32 3bsm s LEU 22 Ca 0.05 -0.12 0.06 0.00 -0.22 0.00 0.00 54.13 53.90 3bsm s LEU 22 Cb -0.07 -1.74 -0.01 0.00 0.50 0.00 0.00 46.19 44.87 3bsm s LEU 22 CO 0.00 0.22 -0.25 -0.75 -1.32 0.00 0.00 176.35 174.26 3bsm s LYS 23 N 0.02 2.56 -0.07 1.98 2.20 0.11 -1.29 119.74 125.25 3bsm s LYS 23 Ca -0.01 -0.91 0.03 0.00 -0.36 0.00 0.00 55.97 54.73 3bsm s LYS 23 Cb -0.14 -2.16 0.01 0.00 -1.51 0.00 0.00 37.83 34.03 3bsm s LYS 23 CO 0.03 0.38 -0.17 0.42 -0.36 0.00 0.00 175.35 175.65 3bsm s ILE 24 N -0.15 1.48 -0.09 5.43 1.01 0.14 -1.30 121.20 127.71 3bsm s ILE 24 Ca -0.04 -0.69 0.04 0.00 0.00 0.00 0.00 60.65 59.96 3bsm s ILE 24 Cb -0.14 -1.31 0.00 0.00 0.01 0.00 0.00 42.46 41.02 3bsm s ILE 24 CO 0.04 0.43 -0.23 -0.69 0.00 0.00 0.00 174.94 174.49 3bsm s VAL 25 N 0.44 1.96 0.52 2.92 1.01 0.14 -0.73 120.40 126.66 3bsm s VAL 25 Ca -0.14 -0.96 -0.04 0.00 0.00 0.00 0.00 61.98 60.84 3bsm s VAL 25 Cb -0.16 -1.70 -0.01 0.00 0.00 0.00 0.00 36.38 34.52 3bsm s VAL 25 CO 0.05 0.54 0.80 0.42 0.00 0.00 0.00 175.10 176.91 3bsm s THR 26 N 0.35 4.18 0.55 3.92 -4.23 0.96 -1.07 115.64 120.30 3bsm s THR 26 Ca -0.18 -0.06 0.22 0.00 -1.18 0.00 0.00 61.69 60.49 3bsm s THR 26 Cb -0.18 -3.60 0.31 0.00 1.34 0.00 0.00 72.50 70.37 3bsm s THR 26 CO 0.08 -0.56 2.17 1.05 -0.54 0.00 0.00 174.62 176.82 3bsm h GLU 27 N 0.11 0.00 0.00 3.99 9.09 -1.15 0.32 114.58 126.93 3bsm h GLU 27 Ca -0.46 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.95 3bsm h GLU 27 Cb 1.24 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.34 3bsm h GLU 27 CO 0.60 0.00 0.00 -1.13 0.05 0.00 0.00 179.01 178.53 3bsm n SER 28 N -4.26 0.00 0.00 3.06 3.41 -1.26 -4.88 113.62 109.69 3bsm n SER 28 Ca -0.02 -1.11 0.00 0.00 -0.26 0.00 0.00 58.87 57.49 3bsm n SER 28 Cb 0.14 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.09 3bsm n SER 28 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3bsm n GLY 29 N 0.75 2.89 3.68 5.00 0.00 0.10 -5.04 105.19 112.57 3bsm n GLY 29 Ca 0.17 -0.33 -0.41 0.00 0.00 0.00 0.00 46.02 45.45 3bsm n GLY 29 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3bsm n THR 30 N 0.00 2.52 -4.27 2.61 -1.04 -1.26 -4.56 114.28 108.28 3bsm n THR 30 Ca 0.00 -0.50 -0.15 0.00 -2.04 0.00 0.00 64.05 61.36 3bsm n THR 30 Cb 0.00 -1.47 -0.10 0.00 -1.82 0.00 0.00 70.33 66.94 3bsm n THR 30 CO 0.00 0.00 0.00 -1.38 -0.64 0.00 0.00 175.07 173.05 3bsm s HIS 31 N -1.21 1.34 0.04 -1.42 -3.43 -1.26 -0.03 115.29 109.33 3bsm s HIS 31 Ca 0.61 -1.11 -0.13 0.00 -0.80 0.00 0.00 55.06 53.63 3bsm s HIS 31 Cb -0.52 -0.77 0.02 0.00 -1.43 0.00 0.00 32.58 29.87 3bsm s HIS 31 CO 0.58 -0.29 0.29 0.20 -2.00 0.00 0.00 174.74 173.52 3bsm s GLY 32 N -3.23 -0.11 0.11 -1.38 0.00 0.09 -4.46 107.32 98.34 3bsm s GLY 32 Ca 0.31 0.00 0.05 0.00 0.00 0.00 0.00 44.72 45.07 3bsm s GLY 32 CO 0.08 -0.21 -0.12 -0.26 0.00 0.00 0.00 173.10 172.59 3bsm s ILE 33 N -2.47 1.11 -0.04 0.90 -4.36 -1.26 -0.68 121.20 114.40 3bsm s ILE 33 Ca -0.06 -1.66 -0.07 0.00 -0.26 0.00 0.00 60.65 58.61 3bsm s ILE 33 Cb -0.01 -1.42 0.01 0.00 1.25 0.00 0.00 42.46 42.29 3bsm s ILE 33 CO -0.03 -0.49 0.16 -0.83 0.24 0.00 0.00 174.94 174.00 3bsm s GLY 34 N -2.42 -0.06 0.18 6.27 0.00 -0.41 -3.33 107.32 107.54 3bsm s GLY 34 Ca 0.07 0.24 -0.30 0.00 0.00 0.00 0.00 44.72 44.73 3bsm s GLY 34 CO 0.01 0.14 1.13 -0.35 0.00 0.00 0.00 173.10 174.04 3bsm s ASP 35 N -0.52 7.21 -0.07 1.64 2.15 -1.26 -1.29 116.67 124.54 3bsm s ASP 35 Ca -0.06 2.13 0.10 0.00 0.43 0.00 0.00 52.55 55.15 3bsm s ASP 35 Cb -0.04 -2.60 0.18 0.00 -0.30 0.00 0.00 42.92 40.16 3bsm s ASP 35 CO 0.01 -0.27 1.09 0.00 -0.17 0.00 0.00 175.17 175.83 3bsm n ALA 36 N 2.42 2.25 -2.47 3.66 0.00 -0.04 -3.64 120.51 122.69 3bsm n ALA 36 Ca 0.03 -1.93 -0.43 0.00 0.00 0.00 0.00 53.44 51.12 3bsm n ALA 36 Cb 0.46 -0.46 -0.02 0.00 0.00 0.00 0.00 19.45 19.42 3bsm n ALA 36 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3bsm s THR 37 N -1.38 4.32 -0.53 0.00 2.01 -1.16 -4.68 115.64 114.23 3bsm s THR 37 Ca 0.18 1.57 0.03 0.00 0.31 0.00 0.00 61.69 63.78 3bsm s THR 37 Cb 0.17 -4.10 0.13 0.00 0.01 0.00 0.00 72.50 68.72 3bsm s THR 37 CO -0.01 -0.23 0.28 -0.22 -0.69 0.00 0.00 174.62 173.75 3bsm s LEU 38 N 3.66 4.52 -0.27 4.42 2.96 -1.26 -4.87 118.68 127.84 3bsm s LEU 38 Ca 0.53 -2.92 -0.43 0.00 -0.22 0.00 0.00 54.13 51.09 3bsm s LEU 38 Cb -0.19 -1.68 -0.19 0.00 0.50 0.00 0.00 46.19 44.63 3bsm s LEU 38 CO 0.15 -0.27 1.46 -3.20 -1.32 0.00 0.00 176.35 173.17 3bsm n ASN 39 N 3.26 1.13 0.00 3.68 5.15 -1.26 -0.96 115.26 126.26 3bsm n ASN 39 Ca 0.05 1.15 0.00 0.00 -0.60 0.00 0.00 54.58 55.19 3bsm n ASN 39 Cb 0.34 -0.97 0.00 0.00 -0.53 0.00 0.00 39.78 38.62 3bsm n ASN 39 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3bsm n GLY 40 N 3.21 1.83 1.27 8.20 0.00 -1.26 -4.74 105.19 113.70 3bsm n GLY 40 Ca 0.26 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.27 3bsm n GLY 40 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3bsm n ARG 41 N -2.00 0.00 -0.25 1.61 5.12 -0.14 -4.97 116.66 116.02 3bsm n ARG 41 Ca 0.00 -1.55 0.06 0.00 -1.93 0.00 0.00 57.85 54.43 3bsm n ARG 41 Cb 0.00 0.20 0.19 0.00 -1.16 0.00 0.00 32.46 31.69 3bsm n ARG 41 CO 0.00 0.00 0.00 0.93 -1.93 0.00 0.00 177.63 176.63 3bsm h GLU 42 N 0.56 0.33 0.00 5.56 3.07 -1.46 -1.66 114.58 120.99 3bsm h GLU 42 Ca -0.36 -0.02 -0.01 0.00 -0.50 0.00 0.00 59.36 58.47 3bsm h GLU 42 Cb 1.68 -0.08 -0.00 0.00 -0.84 0.00 0.00 28.75 29.51 3bsm h GLU 42 CO -0.06 0.22 -0.03 0.52 -1.40 0.00 0.00 179.01 178.26 3bsm h MET 43 N 0.34 0.00 -0.31 2.33 2.86 -1.93 -2.07 114.93 116.15 3bsm h MET 43 Ca 0.42 0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 57.97 3bsm h MET 43 Cb 0.70 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.36 3bsm h MET 43 CO -0.47 0.03 -0.17 0.00 1.06 0.00 0.00 176.91 177.36 3bsm h ALA 44 N 1.97 0.43 -0.24 6.32 0.00 -1.69 -1.91 119.26 124.14 3bsm h ALA 44 Ca -0.00 -0.34 -0.11 0.00 0.00 0.00 0.00 54.91 54.45 3bsm h ALA 44 Cb 0.35 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 3bsm h ALA 44 CO 0.00 0.35 -0.29 0.28 0.00 0.00 0.00 179.25 179.60 3bsm h VAL 45 N 0.41 1.32 -0.48 0.00 2.07 -1.52 -1.61 116.25 116.44 3bsm h VAL 45 Ca 0.07 -1.47 0.07 0.00 0.82 0.00 0.00 66.70 66.19 3bsm h VAL 45 Cb 0.70 1.70 -0.06 0.00 -1.52 0.00 0.00 31.29 32.11 3bsm h VAL 45 CO 0.05 0.46 0.13 0.00 0.02 0.00 0.00 177.57 178.23 3bsm h ALA 46 N 0.66 0.56 -0.52 1.67 0.00 -1.35 -0.09 119.26 120.20 3bsm h ALA 46 Ca 0.03 0.08 -0.11 0.00 0.00 0.00 0.00 54.91 54.91 3bsm h ALA 46 Cb 0.86 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 3bsm h ALA 46 CO 0.07 -0.27 -0.11 0.00 0.00 0.00 0.00 179.25 178.94 3bsm h ALA 47 N 1.35 0.82 -0.10 0.00 0.00 -1.32 -0.72 119.26 119.29 3bsm h ALA 47 Ca 0.23 -0.35 0.03 0.00 0.00 0.00 0.00 54.91 54.83 3bsm h ALA 47 Cb 0.28 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 3bsm h ALA 47 CO -0.27 0.66 -0.11 -0.92 0.00 0.00 0.00 179.25 178.60 3bsm h TYR 48 N 0.87 -0.28 0.63 0.00 3.20 -0.32 0.13 116.97 121.21 3bsm h TYR 48 Ca 0.14 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.99 3bsm h TYR 48 Cb 0.66 0.14 0.01 0.00 1.54 0.00 0.00 36.73 39.07 3bsm h TYR 48 CO 0.04 -0.17 -0.30 -0.07 -1.64 0.00 0.00 178.16 176.02 3bsm h LEU 49 N -0.14 -0.72 0.45 2.82 3.38 -0.95 -1.98 115.31 118.17 3bsm h LEU 49 Ca 0.08 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 3bsm h LEU 49 Cb 0.25 0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 3bsm h LEU 49 CO -0.19 -0.37 -0.48 0.44 0.09 0.00 0.00 178.44 177.94 3bsm h ASP 50 N -1.10 -1.32 0.99 -0.43 3.45 -1.08 0.33 116.42 117.26 3bsm h ASP 50 Ca -0.09 0.11 0.00 0.00 0.43 0.00 0.00 57.03 57.48 3bsm h ASP 50 Cb 0.69 0.44 0.00 0.00 -0.56 0.00 0.00 39.33 39.90 3bsm h ASP 50 CO 0.14 -0.62 0.00 -0.33 -1.57 0.00 0.00 179.24 176.86 3bsm h GLU 51 N -0.93 0.00 0.00 3.56 4.39 -0.87 -3.39 114.58 117.34 3bsm h GLU 51 Ca -0.06 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.64 3bsm h GLU 51 Cb 0.81 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.46 3bsm h GLU 51 CO -0.08 0.00 -0.21 0.72 -1.16 0.00 0.00 179.01 178.29 3bsm n HIS 52 N -2.45 0.00 -0.07 4.33 8.25 -0.79 -4.91 115.22 119.58 3bsm n HIS 52 Ca 0.03 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.34 3bsm n HIS 52 Cb 0.30 0.10 -0.13 0.00 1.12 0.00 0.00 29.99 31.37 3bsm n HIS 52 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 3bsm h VAL 53 N 0.00 1.79 -0.29 1.59 2.07 -0.79 -3.36 116.25 117.27 3bsm h VAL 53 Ca 0.00 -2.32 0.07 0.00 0.82 0.00 0.00 66.70 65.26 3bsm h VAL 53 Cb 0.21 3.37 -0.07 0.00 -1.52 0.00 0.00 31.29 33.27 3bsm h VAL 53 CO 0.00 0.60 -0.19 0.58 0.02 0.00 0.00 177.57 178.58 3bsm h VAL 54 N -0.98 0.47 -0.97 2.57 2.07 -0.56 -1.78 116.25 117.07 3bsm h VAL 54 Ca -0.00 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.68 3bsm h VAL 54 Cb 1.00 0.47 -0.10 0.00 -1.52 0.00 0.00 31.29 31.14 3bsm h VAL 54 CO 0.00 0.00 0.57 -0.65 0.02 0.00 0.00 177.57 177.52 3bsm h PRO 55 N -0.16 0.77 0.00 1.57 0.11 -1.76 -0.06 132.00 132.47 3bsm h PRO 55 Ca 0.15 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.22 3bsm h PRO 55 Cb 0.40 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 31.33 3bsm h PRO 55 CO -0.39 0.51 0.00 0.00 -0.21 0.00 0.00 178.00 177.91 3bsm h ALA 56 N 1.60 1.00 0.01 -0.75 0.00 -1.48 -3.11 119.26 116.51 3bsm h ALA 56 Ca 0.53 0.00 -0.19 0.00 0.00 0.00 0.00 54.91 55.25 3bsm h ALA 56 Cb 0.73 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 3bsm h ALA 56 CO -0.35 0.00 -0.91 -0.07 0.00 0.00 0.00 179.25 177.93 3bsm h LEU 57 N 0.00 0.05 -9.42 0.00 3.38 -0.40 -3.44 115.31 105.48 3bsm h LEU 57 Ca 0.00 -0.04 -0.58 0.00 0.09 0.00 0.00 57.88 57.35 3bsm h LEU 57 Cb 0.61 -0.01 0.04 0.00 0.09 0.00 0.00 40.66 41.38 3bsm h LEU 57 CO 0.00 0.93 1.01 -0.38 0.09 0.00 0.00 178.44 180.09 3bsm n ILE 58 N -3.50 0.34 0.00 1.22 2.08 -1.14 -1.84 119.36 116.52 3bsm n ILE 58 Ca -0.01 -0.06 0.00 0.00 0.56 0.00 0.00 62.75 63.24 3bsm n ILE 58 Cb 0.85 -1.86 0.00 0.00 -0.75 0.00 0.00 39.64 37.88 3bsm n ILE 58 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3bsm n GLY 59 N 4.04 2.99 3.81 7.39 0.00 -0.01 -4.98 105.19 118.44 3bsm n GLY 59 Ca 0.19 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.89 3bsm n GLY 59 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3bsm s ARG 60 N -0.70 3.22 -0.33 1.61 0.52 -0.77 -4.57 118.95 117.94 3bsm s ARG 60 Ca 0.00 1.08 -0.28 0.00 -0.52 0.00 0.00 55.73 56.00 3bsm s ARG 60 Cb 0.00 -2.02 0.02 0.00 0.52 0.00 0.00 34.95 33.46 3bsm s ARG 60 CO 0.00 -0.88 1.04 0.34 0.02 0.00 0.00 175.30 175.82 3bsm s ASP 61 N -3.23 6.87 0.13 0.23 3.68 -1.26 -0.66 116.67 122.42 3bsm s ASP 61 Ca 0.61 0.94 0.15 0.00 2.13 0.00 0.00 52.55 56.38 3bsm s ASP 61 Cb -0.15 -2.52 0.69 0.00 -1.45 0.00 0.00 42.92 39.49 3bsm s ASP 61 CO 0.44 -0.87 1.47 0.00 0.13 0.00 0.00 175.17 176.34 3bsm n ALA 62 N 6.85 1.43 0.98 3.66 0.00 -1.06 -2.34 120.51 130.03 3bsm n ALA 62 Ca 0.11 0.04 0.13 0.00 0.00 0.00 0.00 53.44 53.72 3bsm n ALA 62 Cb 0.47 -1.25 0.50 0.00 0.00 0.00 0.00 19.45 19.18 3bsm n ALA 62 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3bsm n GLY 63 N -0.51 -1.44 2.94 0.00 0.00 -1.26 -4.37 105.19 100.56 3bsm n GLY 63 Ca 0.02 -0.17 -0.43 0.00 0.00 0.00 0.00 46.02 45.44 3bsm n GLY 63 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3bsm n ARG 64 N -1.54 3.70 0.28 1.61 1.74 -0.99 -4.78 116.66 116.68 3bsm n ARG 64 Ca 0.06 -3.69 -0.15 0.00 -0.77 0.00 0.00 57.85 53.30 3bsm n ARG 64 Cb 0.34 -2.88 -0.08 0.00 -1.02 0.00 0.00 32.46 28.82 3bsm n ARG 64 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 3bsm h ILE 65 N 3.78 0.43 -0.38 0.55 2.04 -1.86 -1.26 117.51 120.81 3bsm h ILE 65 Ca 0.36 -0.28 0.07 0.00 1.00 0.00 0.00 64.86 66.01 3bsm h ILE 65 Cb 0.65 0.54 -0.06 0.00 -0.74 0.00 0.00 36.82 37.21 3bsm h ILE 65 CO 1.55 0.04 0.01 -0.08 0.00 0.00 0.00 178.15 179.68 3bsm h GLU 66 N -0.89 0.12 -0.73 2.37 4.57 -1.98 -0.63 114.58 117.42 3bsm h GLU 66 Ca -0.07 -0.01 -0.03 0.00 -1.18 0.00 0.00 59.36 58.07 3bsm h GLU 66 Cb 0.61 -0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 29.14 3bsm h GLU 66 CO 0.12 0.08 0.32 0.22 -1.18 0.00 0.00 179.01 178.56 3bsm h ASP 67 N 0.12 0.96 -0.35 1.04 3.58 -1.95 -1.45 116.42 118.37 3bsm h ASP 67 Ca 0.19 -0.13 -0.11 0.00 0.42 0.00 0.00 57.03 57.40 3bsm h ASP 67 Cb 0.26 -0.25 -0.01 0.00 1.72 0.00 0.00 39.33 41.05 3bsm h ASP 67 CO -0.30 0.84 -0.23 0.74 -2.88 0.00 0.00 179.24 177.41 3bsm h THR 68 N 1.04 1.29 0.23 2.25 2.02 -0.61 0.78 112.91 119.91 3bsm h THR 68 Ca 0.25 -1.37 0.01 0.00 0.77 0.00 0.00 66.41 66.06 3bsm h THR 68 Cb 0.16 1.41 -0.03 0.00 -1.74 0.00 0.00 68.15 67.94 3bsm h THR 68 CO -0.03 0.45 -0.33 -0.25 0.37 0.00 0.00 175.52 175.74 3bsm h TRP 69 N 0.56 -0.89 -0.83 3.16 7.01 -0.75 0.59 115.95 124.79 3bsm h TRP 69 Ca 0.07 0.01 0.05 0.00 2.11 0.00 0.00 58.89 61.13 3bsm h TRP 69 Cb 0.79 0.36 -0.06 0.00 -2.10 0.00 0.00 29.16 28.15 3bsm h TRP 69 CO 0.06 -0.45 0.52 1.96 -2.79 0.00 0.00 178.44 177.74 3bsm h GLN 70 N -0.62 0.95 -0.33 2.65 1.08 -1.21 -0.30 115.11 117.33 3bsm h GLN 70 Ca 0.00 -0.06 0.02 0.00 -1.45 0.00 0.00 58.65 57.16 3bsm h GLN 70 Cb 0.60 -0.21 -0.02 0.00 -0.05 0.00 0.00 27.48 27.79 3bsm h GLN 70 CO -0.12 0.63 0.18 -0.92 -0.95 0.00 0.00 178.83 177.64 3bsm h TYR 71 N 0.98 0.33 -0.08 2.96 3.20 -0.22 -0.97 116.97 123.18 3bsm h TYR 71 Ca 0.35 0.01 -0.15 0.00 3.14 0.00 0.00 58.73 62.08 3bsm h TYR 71 Cb 0.09 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.25 3bsm h TYR 71 CO -0.03 0.19 -0.62 -0.07 -1.64 0.00 0.00 178.16 175.99 3bsm h LEU 72 N 0.37 0.31 -0.72 2.82 3.38 -0.56 -2.63 115.31 118.29 3bsm h LEU 72 Ca 0.13 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 3bsm h LEU 72 Cb 0.02 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.65 3bsm h LEU 72 CO -0.08 0.85 0.42 0.22 0.09 0.00 0.00 178.44 179.95 3bsm h TYR 73 N 0.20 0.95 -0.63 1.13 3.20 -0.70 -2.28 116.97 118.84 3bsm h TYR 73 Ca -0.01 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.84 3bsm h TYR 73 Cb 1.14 -0.31 -0.03 0.00 1.54 0.00 0.00 36.73 39.07 3bsm h TYR 73 CO 0.03 0.65 0.33 0.00 -1.64 0.00 0.00 178.16 177.53 3bsm h ARG 74 N 0.98 0.89 -0.39 1.82 -0.00 -1.02 -2.11 114.38 114.55 3bsm h ARG 74 Ca 0.26 -0.11 0.05 0.00 -0.50 0.00 0.00 59.98 59.68 3bsm h ARG 74 Cb -0.01 -0.17 -0.02 0.00 0.00 0.00 0.00 29.97 29.76 3bsm h ARG 74 CO -0.05 0.69 0.26 0.78 0.00 0.00 0.00 179.97 181.65 3bsm h GLY 75 N 0.86 0.36 0.04 0.04 0.00 -1.05 0.20 103.07 103.52 3bsm h GLY 75 Ca 0.22 -0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.43 3bsm h GLY 75 CO -0.03 0.09 0.00 0.00 0.00 0.00 0.00 176.54 176.60 3bsm n ALA 76 N -2.53 2.51 -3.37 3.60 0.00 -0.94 -4.85 120.51 114.94 3bsm n ALA 76 Ca 0.05 -0.04 -0.18 0.00 0.00 0.00 0.00 53.44 53.27 3bsm n ALA 76 Cb 0.24 -1.04 0.08 0.00 0.00 0.00 0.00 19.45 18.73 3bsm n ALA 76 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3bsm n TYR 77 N -0.51 -2.24 -2.57 0.00 4.02 0.69 -2.55 117.16 114.00 3bsm n TYR 77 Ca 0.02 0.88 -0.15 0.00 -0.01 0.00 0.00 57.90 58.64 3bsm n TYR 77 Cb 0.02 -4.72 -0.00 0.00 -0.02 0.00 0.00 39.34 34.62 3bsm n TYR 77 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 176.86 176.76 3bsm n TRP 78 N -4.22 -1.44 -4.11 -0.72 8.01 -0.84 -4.95 117.44 109.18 3bsm n TRP 78 Ca -0.15 0.08 -0.34 0.00 -1.31 0.00 0.00 57.50 55.78 3bsm n TRP 78 Cb 0.61 -3.01 -0.07 0.00 -2.01 0.00 0.00 31.31 26.83 3bsm n TRP 78 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.69 177.71 3bsm s ARG 79 N -5.18 3.15 -0.20 -0.99 1.81 -1.06 -5.07 118.95 111.41 3bsm s ARG 79 Ca 0.06 -0.38 -0.10 0.00 -1.72 0.00 0.00 55.73 53.59 3bsm s ARG 79 Cb -0.03 -2.93 -0.05 0.00 -0.45 0.00 0.00 34.95 31.49 3bsm s ARG 79 CO 0.07 0.69 0.13 -0.98 -0.68 0.00 0.00 175.30 174.54 3bsm s ARG 80 N -1.38 4.18 -0.07 3.54 1.70 -1.26 -4.81 118.95 120.85 3bsm s ARG 80 Ca 0.19 -0.22 -0.30 0.00 -0.47 0.00 0.00 55.73 54.93 3bsm s ARG 80 Cb -0.12 -3.42 0.09 0.00 -0.57 0.00 0.00 34.95 30.93 3bsm s ARG 80 CO 0.09 0.29 0.79 0.20 -1.08 0.00 0.00 175.30 175.59 3bsm s GLY 81 N 0.38 -0.47 0.23 3.88 0.00 -1.26 -5.00 107.32 105.08 3bsm s GLY 81 Ca 0.08 1.48 -0.06 0.00 0.00 0.00 0.00 44.72 46.22 3bsm s GLY 81 CO -0.02 0.89 1.75 -0.56 0.00 0.00 0.00 173.10 175.16 3bsm h PRO 82 N 2.73 0.47 0.02 2.90 0.13 -1.94 0.12 132.00 136.44 3bsm h PRO 82 Ca -0.24 -0.03 -0.00 0.00 -0.87 0.00 0.00 66.00 64.86 3bsm h PRO 82 Cb 1.16 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.19 3bsm h PRO 82 CO 0.36 0.31 -0.01 0.28 -0.23 0.00 0.00 178.00 178.71 3bsm h VAL 83 N 0.48 1.36 0.01 1.56 2.07 -1.96 -2.63 116.25 117.14 3bsm h VAL 83 Ca 0.37 -1.22 0.03 0.00 0.82 0.00 0.00 66.70 66.70 3bsm h VAL 83 Cb 0.50 2.17 -0.04 0.00 -1.52 0.00 0.00 31.29 32.40 3bsm h VAL 83 CO -0.34 0.31 -0.24 0.74 0.02 0.00 0.00 177.57 178.06 3bsm h THR 84 N -0.57 0.45 0.00 2.57 2.02 -1.85 -2.52 112.91 113.02 3bsm h THR 84 Ca -0.00 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.11 3bsm h THR 84 Cb 0.53 0.45 -0.01 0.00 -1.74 0.00 0.00 68.15 67.38 3bsm h THR 84 CO 0.01 0.00 -0.30 0.24 0.37 0.00 0.00 175.52 175.84 3bsm h MET 85 N -0.38 0.00 -0.25 6.66 2.86 -0.87 -2.64 114.93 120.30 3bsm h MET 85 Ca 0.06 0.00 -0.14 0.00 -2.06 0.00 0.00 59.70 57.56 3bsm h MET 85 Cb 0.46 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.12 3bsm h MET 85 CO -0.21 0.30 -0.38 1.15 1.06 0.00 0.00 176.91 178.83 3bsm h THR 86 N 0.00 1.31 -0.18 2.22 2.02 -1.27 -0.13 112.91 116.88 3bsm h THR 86 Ca -0.00 -1.57 0.00 0.00 0.77 0.00 0.00 66.41 65.60 3bsm h THR 86 Cb 0.83 1.71 -0.01 0.00 -1.74 0.00 0.00 68.15 68.94 3bsm h THR 86 CO 0.04 0.50 0.11 0.00 0.37 0.00 0.00 175.52 176.54 3bsm h ALA 87 N 0.66 0.22 -0.65 6.16 0.00 -1.36 -0.75 119.26 123.53 3bsm h ALA 87 Ca 0.02 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 3bsm h ALA 87 Cb 0.97 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.66 3bsm h ALA 87 CO 0.09 -0.28 0.26 0.82 0.00 0.00 0.00 179.25 180.14 3bsm h ILE 88 N 0.22 1.23 -0.47 0.00 2.04 -1.43 -2.31 117.51 116.79 3bsm h ILE 88 Ca 0.06 -0.71 -0.09 0.00 1.00 0.00 0.00 64.86 65.13 3bsm h ILE 88 Cb 0.00 0.45 -0.02 0.00 -0.74 0.00 0.00 36.82 36.51 3bsm h ILE 88 CO -0.01 0.29 -0.06 0.00 0.00 0.00 0.00 178.15 178.37 3bsm h ALA 89 N 1.35 1.02 -0.12 1.87 0.00 -0.65 -0.12 119.26 122.61 3bsm h ALA 89 Ca 0.22 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 3bsm h ALA 89 Cb 0.18 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3bsm h ALA 89 CO -0.02 0.60 0.06 0.00 0.00 0.00 0.00 179.25 179.88 3bsm h ALA 90 N 1.19 0.15 -0.17 0.00 0.00 -0.65 0.14 119.26 119.92 3bsm h ALA 90 Ca 0.13 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.98 3bsm h ALA 90 Cb 0.53 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 3bsm h ALA 90 CO 0.03 -0.29 0.08 0.28 0.00 0.00 0.00 179.25 179.35 3bsm h VAL 91 N 0.06 1.00 -0.94 0.00 2.07 -1.22 -1.50 116.25 115.71 3bsm h VAL 91 Ca 0.04 -0.06 0.03 0.00 0.82 0.00 0.00 66.70 67.53 3bsm h VAL 91 Cb 0.12 0.80 -0.05 0.00 -1.52 0.00 0.00 31.29 30.63 3bsm h VAL 91 CO -0.01 0.03 0.62 -0.78 0.02 0.00 0.00 177.57 177.46 3bsm h ASP 92 N 0.18 1.04 -0.53 0.57 3.58 -0.76 -0.54 116.42 119.96 3bsm h ASP 92 Ca 0.07 -0.01 -0.11 0.00 0.42 0.00 0.00 57.03 57.40 3bsm h ASP 92 Cb 0.01 -0.24 -0.02 0.00 1.72 0.00 0.00 39.33 40.80 3bsm h ASP 92 CO -0.05 0.72 -0.09 0.24 -2.88 0.00 0.00 179.24 177.18 3bsm h MET 93 N 1.21 1.02 -0.30 0.28 2.86 -0.40 -1.71 114.93 117.89 3bsm h MET 93 Ca 0.37 -0.36 -0.03 0.00 -2.06 0.00 0.00 59.70 57.62 3bsm h MET 93 Cb -0.04 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.54 3bsm h MET 93 CO -0.11 1.05 0.08 0.00 1.06 0.00 0.00 176.91 178.98 3bsm h ALA 94 N 0.98 0.39 -0.71 6.32 0.00 -0.65 -1.38 119.26 124.20 3bsm h ALA 94 Ca 0.14 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 3bsm h ALA 94 Cb 0.65 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 3bsm h ALA 94 CO 0.05 0.05 0.24 -0.07 0.00 0.00 0.00 179.25 179.51 3bsm h LEU 95 N 0.32 1.01 -1.10 0.00 3.38 -1.02 -0.55 115.31 117.35 3bsm h LEU 95 Ca 0.09 -0.18 -0.09 0.00 0.09 0.00 0.00 57.88 57.80 3bsm h LEU 95 Cb 0.28 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 3bsm h LEU 95 CO 0.00 0.93 -0.29 -0.50 0.09 0.00 0.00 178.44 178.67 3bsm h TRP 96 N 1.05 0.30 0.32 1.13 4.06 -1.18 -0.25 115.95 121.37 3bsm h TRP 96 Ca 0.23 -0.06 -0.02 0.00 2.06 0.00 0.00 58.89 61.11 3bsm h TRP 96 Cb 0.27 -0.07 0.00 0.00 -1.00 0.00 0.00 29.16 28.36 3bsm h TRP 96 CO 0.02 0.54 -0.15 0.22 -3.56 0.00 0.00 178.44 175.51 3bsm h ASP 97 N 0.24 -0.36 -0.63 -3.49 3.58 -0.51 -1.25 116.42 113.99 3bsm h ASP 97 Ca 0.03 -0.08 0.07 0.00 0.42 0.00 0.00 57.03 57.48 3bsm h ASP 97 Cb 0.64 0.09 -0.06 0.00 1.72 0.00 0.00 39.33 41.73 3bsm h ASP 97 CO 0.05 -0.14 0.32 0.40 -2.88 0.00 0.00 179.24 176.98 3bsm h ILE 98 N -0.57 0.90 -0.31 2.25 2.04 -0.84 -1.78 117.51 119.19 3bsm h ILE 98 Ca -0.04 -0.20 -0.01 0.00 1.00 0.00 0.00 64.86 65.61 3bsm h ILE 98 Cb 0.42 0.27 -0.01 0.00 -0.74 0.00 0.00 36.82 36.76 3bsm h ILE 98 CO 0.07 0.11 0.16 0.50 0.00 0.00 0.00 178.15 178.99 3bsm h LYS 99 N 0.58 0.44 -0.80 2.37 3.64 -0.88 0.34 116.57 122.26 3bsm h LYS 99 Ca 0.30 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.59 3bsm h LYS 99 Cb 0.25 -0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 31.95 3bsm h LYS 99 CO -0.22 0.40 0.41 0.00 -2.27 0.00 0.00 179.45 177.77 3bsm h ALA 100 N 1.02 1.02 0.25 5.00 0.00 -0.94 0.58 119.26 126.20 3bsm h ALA 100 Ca 0.11 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 3bsm h ALA 100 Cb 0.10 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.57 3bsm h ALA 100 CO -0.02 0.56 -0.12 0.87 0.00 0.00 0.00 179.25 180.54 3bsm h LYS 101 N 1.12 -0.33 -0.55 0.00 1.57 -1.12 0.42 116.57 117.68 3bsm h LYS 101 Ca 0.28 0.02 0.16 0.00 -1.87 0.00 0.00 60.65 59.23 3bsm h LYS 101 Cb 0.08 0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.44 3bsm h LYS 101 CO -0.04 -0.18 0.39 0.00 -0.57 0.00 0.00 179.45 179.06 3bsm h ALA 102 N 0.34 2.49 -0.00 3.86 0.00 -0.51 0.75 119.26 126.19 3bsm h ALA 102 Ca -0.03 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3bsm h ALA 102 Cb 0.30 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3bsm h ALA 102 CO 0.06 -0.65 -0.29 0.00 0.00 0.00 0.00 179.25 178.37 3bsm n ALA 103 N -2.64 3.10 -2.65 0.00 0.00 0.16 -4.94 120.51 113.55 3bsm n ALA 103 Ca 0.10 -0.30 -0.16 0.00 0.00 0.00 0.00 53.44 53.08 3bsm n ALA 103 Cb 0.61 -1.22 0.02 0.00 0.00 0.00 0.00 19.45 18.85 3bsm n ALA 103 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3bsm n GLY 104 N 1.43 -0.23 3.09 0.00 0.00 0.26 -5.01 105.19 104.73 3bsm n GLY 104 Ca 0.09 -0.15 -0.08 0.00 0.00 0.00 0.00 46.02 45.88 3bsm n GLY 104 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 3bsm s MET 105 N -5.19 0.57 0.50 1.61 0.00 -0.56 -4.80 119.30 111.43 3bsm s MET 105 Ca 0.15 -0.90 -0.21 0.00 0.00 0.00 0.00 55.69 54.73 3bsm s MET 105 Cb -0.07 0.21 -0.07 0.00 0.00 0.00 0.00 34.83 34.91 3bsm s MET 105 CO 0.19 -0.13 1.16 -1.25 0.00 0.00 0.00 175.02 174.99 3bsm s PRO 106 N -2.97 3.55 0.32 3.16 0.04 -1.25 -1.95 135.00 135.90 3bsm s PRO 106 Ca -0.02 1.73 0.08 0.00 0.04 0.00 0.00 61.00 62.84 3bsm s PRO 106 Cb 0.01 -2.23 0.90 0.00 0.04 0.00 0.00 34.50 33.22 3bsm s PRO 106 CO -0.06 -0.71 1.64 1.25 0.04 0.00 0.00 177.00 179.16 3bsm h LEU 107 N 1.67 0.19 -2.15 -3.56 5.85 -1.23 0.20 115.31 116.27 3bsm h LEU 107 Ca -0.50 0.21 0.01 0.00 0.84 0.00 0.00 57.88 58.44 3bsm h LEU 107 Cb 1.26 0.23 -0.00 0.00 0.37 0.00 0.00 40.66 42.52 3bsm h LEU 107 CO 0.59 -0.18 0.04 0.10 -0.34 0.00 0.00 178.44 178.64 3bsm h TYR 108 N 0.23 0.00 -0.24 1.25 -0.00 -1.87 -0.61 116.97 115.72 3bsm h TYR 108 Ca 0.65 0.00 -0.17 0.00 0.00 0.00 0.00 58.73 59.21 3bsm h TYR 108 Cb 1.41 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 38.14 3bsm h TYR 108 CO -0.17 0.00 -0.54 1.96 -0.00 0.00 0.00 178.16 179.42 3bsm h GLN 109 N 0.00 0.71 -0.05 0.10 1.08 -1.26 -1.03 115.11 114.66 3bsm h GLN 109 Ca 0.02 -0.44 -0.08 0.00 -1.45 0.00 0.00 58.65 56.71 3bsm h GLN 109 Cb 0.10 0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 27.57 3bsm h GLN 109 CO -0.00 1.06 -0.33 1.25 -0.95 0.00 0.00 178.83 179.87 3bsm h LEU 110 N 0.55 0.09 -0.05 1.46 5.85 -1.10 -2.93 115.31 119.17 3bsm h LEU 110 Ca 0.01 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.71 3bsm h LEU 110 Cb 1.11 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.11 3bsm h LEU 110 CO 0.11 0.41 0.00 0.18 -0.34 0.00 0.00 178.44 178.80 3bsm n LEU 111 N -4.13 0.81 0.00 2.25 4.77 -0.85 -4.84 117.00 115.01 3bsm n LEU 111 Ca -0.02 0.58 0.00 0.00 -0.03 0.00 0.00 56.01 56.55 3bsm n LEU 111 Cb 0.39 -0.34 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 3bsm n LEU 111 CO 0.39 -0.21 0.00 0.61 -1.33 0.00 0.00 177.39 176.85 3bsm n GLY 112 N 1.22 -0.98 0.00 -0.72 0.00 -1.11 -5.03 105.19 98.56 3bsm n GLY 112 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 3bsm n GLY 112 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3bsm n GLY 113 N 0.00 -0.24 3.72 -0.02 0.00 -0.40 -4.96 105.19 103.29 3bsm n GLY 113 Ca 0.00 -1.84 -0.42 0.00 0.00 0.00 0.00 46.02 43.76 3bsm n GLY 113 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3bsm s LYS 114 N -1.32 4.44 -0.02 1.61 2.20 -1.26 -4.18 119.74 121.21 3bsm s LYS 114 Ca 0.00 1.79 0.13 0.00 -0.36 0.00 0.00 55.97 57.53 3bsm s LYS 114 Cb 0.00 -3.33 -0.19 0.00 -1.51 0.00 0.00 37.83 32.79 3bsm s LYS 114 CO 0.00 -0.24 0.27 0.43 -0.36 0.00 0.00 175.35 175.45 3bsm n SER 115 N 3.78 2.11 -3.74 1.43 7.64 0.45 -4.96 113.62 120.33 3bsm n SER 115 Ca 0.09 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 59.85 3bsm n SER 115 Cb 0.46 1.55 -0.07 0.00 -1.01 0.00 0.00 64.21 65.13 3bsm n SER 115 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3bsm s ARG 116 N -2.85 0.82 0.06 1.43 1.70 -1.11 -5.05 118.95 113.96 3bsm s ARG 116 Ca -0.05 -0.47 -0.15 0.00 -0.47 0.00 0.00 55.73 54.59 3bsm s ARG 116 Cb 0.08 0.36 -0.23 0.00 -0.57 0.00 0.00 34.95 34.59 3bsm s ARG 116 CO 0.52 -0.27 1.18 1.49 -1.08 0.00 0.00 175.30 177.15 3bsm h GLU 117 N 3.21 0.66 -4.54 3.89 4.57 -1.95 -3.47 114.58 116.95 3bsm h GLU 117 Ca -0.32 -0.70 -0.20 0.00 -1.18 0.00 0.00 59.36 56.96 3bsm h GLU 117 Cb 1.20 0.19 -0.16 0.00 -0.16 0.00 0.00 28.75 29.83 3bsm h GLU 117 CO 0.45 1.29 -0.70 -0.98 -1.18 0.00 0.00 179.01 177.89 3bsm s ARG 118 N -3.33 0.74 -0.26 1.92 1.70 -1.26 -4.70 118.95 113.77 3bsm s ARG 118 Ca -0.10 -1.24 -0.05 0.00 -0.47 0.00 0.00 55.73 53.86 3bsm s ARG 118 Cb 0.06 -0.12 0.00 0.00 -0.57 0.00 0.00 34.95 34.33 3bsm s ARG 118 CO 0.90 -0.03 0.02 0.14 -1.08 0.00 0.00 175.30 175.25 3bsm s VAL 119 N -3.43 3.66 0.40 4.99 -7.23 -0.60 -4.92 120.40 113.27 3bsm s VAL 119 Ca 0.08 -0.61 -0.27 0.00 -1.81 0.00 0.00 61.98 59.36 3bsm s VAL 119 Cb 0.04 -2.80 -0.10 0.00 0.56 0.00 0.00 36.38 34.08 3bsm s VAL 119 CO -0.05 0.24 1.47 -0.32 -0.31 0.00 0.00 175.10 176.13 3bsm s MET 120 N 1.48 4.00 0.39 4.82 1.75 -1.26 -1.57 119.30 128.90 3bsm s MET 120 Ca 0.04 2.54 0.05 0.00 -1.25 0.00 0.00 55.69 57.06 3bsm s MET 120 Cb -0.16 -2.89 -0.06 0.00 2.84 0.00 0.00 34.83 34.56 3bsm s MET 120 CO -0.00 -0.61 0.04 0.99 -0.65 0.00 0.00 175.02 174.78 3bsm s THR 121 N -1.14 1.50 0.01 10.11 2.01 -1.07 -1.52 115.64 125.54 3bsm s THR 121 Ca 0.55 -2.00 0.00 0.00 0.31 0.00 0.00 61.69 60.55 3bsm s THR 121 Cb -0.46 -2.78 -0.01 0.00 0.01 0.00 0.00 72.50 69.26 3bsm s THR 121 CO 0.61 0.00 -0.01 -0.72 -0.69 0.00 0.00 174.62 173.81 3bsm s TYR 122 N -2.99 0.09 0.18 4.92 -0.85 -0.98 -4.10 117.35 113.63 3bsm s TYR 122 Ca 0.31 -0.19 0.05 0.00 -0.52 0.00 0.00 57.07 56.73 3bsm s TYR 122 Cb 0.08 -0.07 -0.04 0.00 0.38 0.00 0.00 41.96 42.32 3bsm s TYR 122 CO 0.15 -0.07 0.19 0.00 -1.52 0.00 0.00 175.55 174.31 3bsm s ALA 123 N -0.51 3.68 -0.17 9.51 0.00 -0.91 -2.46 121.76 130.90 3bsm s ALA 123 Ca -0.06 -1.21 -0.24 0.00 0.00 0.00 0.00 51.96 50.45 3bsm s ALA 123 Cb -0.04 -1.46 -0.02 0.00 0.00 0.00 0.00 23.12 21.60 3bsm s ALA 123 CO -0.00 0.45 0.78 -1.01 0.00 0.00 0.00 175.76 175.98 3bsm s HIS 124 N -1.83 3.42 -0.39 0.00 3.76 -1.26 -0.18 115.29 118.81 3bsm s HIS 124 Ca 0.32 1.19 0.02 0.00 -0.15 0.00 0.00 55.06 56.44 3bsm s HIS 124 Cb -0.10 -2.96 0.12 0.00 1.11 0.00 0.00 32.58 30.75 3bsm s HIS 124 CO 0.25 -0.20 0.15 0.00 -0.85 0.00 0.00 174.74 174.09 3bsm s THR 126 N 0.70 2.38 0.07 0.00 -4.23 -1.26 -1.85 115.64 111.45 3bsm s THR 126 Ca 0.14 -2.33 -0.27 0.00 -1.18 0.00 0.00 61.69 58.05 3bsm s THR 126 Cb -0.21 -2.43 0.08 0.00 1.34 0.00 0.00 72.50 71.28 3bsm s THR 126 CO -0.08 -0.33 0.92 -0.83 -0.54 0.00 0.00 174.62 173.76 3bsm s GLY 127 N -3.55 -0.35 0.20 3.99 0.00 -0.97 -4.41 107.32 102.24 3bsm s GLY 127 Ca 0.31 0.56 0.07 0.00 0.00 0.00 0.00 44.72 45.66 3bsm s GLY 127 CO 0.15 0.17 1.46 -1.61 0.00 0.00 0.00 173.10 173.27 3bsm h GLN 128 N 2.00 0.08 -5.74 2.90 4.15 -1.94 -2.37 115.11 114.20 3bsm h GLN 128 Ca -0.23 -0.08 -0.51 0.00 0.77 0.00 0.00 58.65 58.60 3bsm h GLN 128 Cb 1.24 0.02 -0.14 0.00 0.21 0.00 0.00 27.48 28.81 3bsm h GLN 128 CO 0.28 0.82 -0.73 0.95 -1.93 0.00 0.00 178.83 178.22 3bsm s THR 129 N -3.30 1.93 0.35 2.39 -4.23 -1.26 -1.49 115.64 110.03 3bsm s THR 129 Ca -0.01 -2.24 0.09 0.00 -1.18 0.00 0.00 61.69 58.34 3bsm s THR 129 Cb 0.11 -2.22 0.32 0.00 1.34 0.00 0.00 72.50 72.05 3bsm s THR 129 CO 0.80 -0.47 1.86 0.40 -0.54 0.00 0.00 174.62 176.67 3bsm h ILE 130 N 2.40 0.83 -0.45 2.99 2.04 -1.88 -0.90 117.51 122.55 3bsm h ILE 130 Ca -0.39 -0.24 -0.06 0.00 1.00 0.00 0.00 64.86 65.16 3bsm h ILE 130 Cb 1.23 0.06 -0.02 0.00 -0.74 0.00 0.00 36.82 37.36 3bsm h ILE 130 CO 0.63 0.13 0.03 -0.08 0.00 0.00 0.00 178.15 178.86 3bsm h GLU 131 N 0.71 0.77 0.03 2.37 4.57 -1.97 -1.26 114.58 119.78 3bsm h GLU 131 Ca 0.46 -0.23 0.00 0.00 -1.18 0.00 0.00 59.36 58.42 3bsm h GLU 131 Cb 0.73 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 29.24 3bsm h GLU 131 CO -0.22 0.81 -0.04 -0.44 -1.18 0.00 0.00 179.01 177.94 3bsm h ASP 132 N 0.62 -0.11 -0.59 1.04 3.32 -1.59 -2.23 116.42 116.88 3bsm h ASP 132 Ca 0.13 0.01 0.12 0.00 0.02 0.00 0.00 57.03 57.31 3bsm h ASP 132 Cb 0.44 0.04 -0.09 0.00 0.22 0.00 0.00 39.33 39.94 3bsm h ASP 132 CO 0.02 -0.06 0.08 0.00 -1.72 0.00 0.00 179.24 177.55 3bsm h LEU 134 N 0.20 0.00 -0.12 0.00 3.38 -0.83 -0.89 115.31 117.05 3bsm h LEU 134 Ca 0.31 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.23 3bsm h LEU 134 Cb 0.48 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.23 3bsm h LEU 134 CO -0.44 0.00 -0.11 1.23 0.09 0.00 0.00 178.44 179.21 3bsm h GLY 135 N 0.00 0.32 1.01 0.83 0.00 0.06 -1.56 103.07 103.71 3bsm h GLY 135 Ca -0.00 -0.32 0.00 0.00 0.00 0.00 0.00 47.33 47.02 3bsm h GLY 135 CO 0.00 0.29 0.43 0.83 0.00 0.00 0.00 176.54 178.09 3bsm h GLU 136 N -0.10 0.87 -0.75 4.80 4.39 -0.70 -1.60 114.58 121.49 3bsm h GLU 136 Ca 0.02 -0.06 0.02 0.00 0.34 0.00 0.00 59.36 59.68 3bsm h GLU 136 Cb 0.63 -0.19 -0.04 0.00 -0.10 0.00 0.00 28.75 29.04 3bsm h GLU 136 CO 0.03 0.59 0.49 0.28 -1.16 0.00 0.00 179.01 179.23 3bsm h VAL 137 N 0.90 1.15 -0.05 3.13 2.07 -1.16 -0.70 116.25 121.58 3bsm h VAL 137 Ca 0.24 -0.33 0.02 0.00 0.82 0.00 0.00 66.70 67.45 3bsm h VAL 137 Cb -0.09 0.09 -0.03 0.00 -1.52 0.00 0.00 31.29 29.74 3bsm h VAL 137 CO -0.05 0.18 -0.09 0.00 0.02 0.00 0.00 177.57 177.63 3bsm h ALA 138 N 1.30 -0.05 -0.54 1.67 0.00 -0.41 -0.55 119.26 120.68 3bsm h ALA 138 Ca 0.29 0.02 -0.12 0.00 0.00 0.00 0.00 54.91 55.11 3bsm h ALA 138 Cb -0.05 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 3bsm h ALA 138 CO -0.09 -0.57 -0.12 0.07 0.00 0.00 0.00 179.25 178.55 3bsm h ARG 139 N -0.13 1.03 -0.41 0.00 0.11 -1.04 -2.73 114.38 111.21 3bsm h ARG 139 Ca 0.05 -0.39 -0.07 0.00 0.10 0.00 0.00 59.98 59.67 3bsm h ARG 139 Cb 0.20 -0.06 -0.02 0.00 1.11 0.00 0.00 29.97 31.20 3bsm h ARG 139 CO -0.13 1.08 -0.03 0.45 0.10 0.00 0.00 179.97 181.44 3bsm h HIS 140 N 0.91 0.73 0.00 4.08 3.86 -0.90 -0.75 115.15 123.07 3bsm h HIS 140 Ca 0.14 -0.10 -0.01 0.00 -1.16 0.00 0.00 60.37 59.24 3bsm h HIS 140 Cb 0.70 -0.20 -0.00 0.00 1.06 0.00 0.00 27.41 28.97 3bsm h HIS 140 CO 0.05 0.71 -0.05 -0.39 0.86 0.00 0.00 177.93 179.11 3bsm h VAL 141 N 0.64 0.12 -0.24 2.45 -1.51 -1.02 -1.85 116.25 114.85 3bsm h VAL 141 Ca 0.12 -0.64 -0.18 0.00 -1.23 0.00 0.00 66.70 64.77 3bsm h VAL 141 Cb 0.45 1.57 -0.00 0.00 -2.13 0.00 0.00 31.29 31.18 3bsm h VAL 141 CO 0.02 0.05 -0.58 -0.33 -1.23 0.00 0.00 177.57 175.50 3bsm h GLU 142 N 0.00 0.75 0.00 5.19 4.39 -0.85 -2.49 114.58 121.57 3bsm h GLU 142 Ca -0.00 -0.49 0.00 0.00 0.34 0.00 0.00 59.36 59.21 3bsm h GLU 142 Cb 0.56 0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.28 3bsm h GLU 142 CO 0.01 1.12 0.00 1.28 -1.16 0.00 0.00 179.01 180.25 3bsm n LEU 143 N -3.98 0.00 0.00 1.33 4.77 -0.72 -4.85 117.00 113.56 3bsm n LEU 143 Ca -0.04 0.32 0.00 0.00 -0.03 0.00 0.00 56.01 56.26 3bsm n LEU 143 Cb 0.64 -0.32 0.00 0.00 -2.33 0.00 0.00 43.42 41.41 3bsm n LEU 143 CO 0.49 -0.17 0.00 0.61 -1.33 0.00 0.00 177.39 177.00 3bsm n GLY 144 N -0.09 0.43 3.74 -0.72 0.00 -0.94 -3.88 105.19 103.73 3bsm n GLY 144 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 3bsm n GLY 144 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3bsm s TYR 145 N -2.00 2.82 -2.21 1.61 1.51 -1.03 -3.70 117.35 114.35 3bsm s TYR 145 Ca 0.00 0.63 0.24 0.00 -1.01 0.00 0.00 57.07 56.93 3bsm s TYR 145 Cb 0.00 -4.09 0.33 0.00 -0.11 0.00 0.00 41.96 38.10 3bsm s TYR 145 CO 0.00 -3.83 1.31 0.54 -1.11 0.00 0.00 175.55 172.46 3bsm n ARG 146 N 2.85 1.39 -3.76 -0.62 5.12 -1.26 -4.50 116.66 115.88 3bsm n ARG 146 Ca 0.11 -1.06 -0.13 0.00 -1.93 0.00 0.00 57.85 54.84 3bsm n ARG 146 Cb 0.37 -1.48 -0.09 0.00 -1.16 0.00 0.00 32.46 30.10 3bsm n ARG 146 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3bsm s ALA 147 N -2.34 -0.82 -0.01 7.54 0.00 -1.26 -2.18 121.76 122.69 3bsm s ALA 147 Ca 0.24 0.54 -0.04 0.00 0.00 0.00 0.00 51.96 52.70 3bsm s ALA 147 Cb 0.19 -0.13 -0.00 0.00 0.00 0.00 0.00 23.12 23.18 3bsm s ALA 147 CO 0.48 -0.23 0.08 0.14 0.00 0.00 0.00 175.76 176.23 3bsm s VAL 148 N -0.85 0.06 -0.26 0.00 -7.23 0.18 -2.13 120.40 110.17 3bsm s VAL 148 Ca -0.09 -0.49 -0.12 0.00 -1.81 0.00 0.00 61.98 59.47 3bsm s VAL 148 Cb -0.04 -0.28 -0.05 0.00 0.56 0.00 0.00 36.38 36.57 3bsm s VAL 148 CO 0.03 -0.27 0.23 -0.60 -0.31 0.00 0.00 175.10 174.18 3bsm s ARG 149 N -0.87 4.02 -0.13 4.82 3.52 0.75 -0.33 118.95 130.73 3bsm s ARG 149 Ca -0.10 -0.20 -0.03 0.00 -0.13 0.00 0.00 55.73 55.28 3bsm s ARG 149 Cb -0.06 -3.61 -0.03 0.00 -1.56 0.00 0.00 34.95 29.70 3bsm s ARG 149 CO 0.00 -0.10 -0.03 0.14 -0.81 0.00 0.00 175.30 174.50 3bsm s VAL 150 N 1.52 3.96 0.01 7.11 -7.23 -0.21 -0.33 120.40 125.23 3bsm s VAL 150 Ca 0.10 -0.35 -0.02 0.00 -1.81 0.00 0.00 61.98 59.90 3bsm s VAL 150 Cb -0.15 -2.71 -0.01 0.00 0.56 0.00 0.00 36.38 34.07 3bsm s VAL 150 CO 0.08 0.53 0.02 -1.10 -0.31 0.00 0.00 175.10 174.32 3bsm s GLN 151 N -0.01 0.30 0.16 4.82 -1.52 -0.77 -4.63 119.66 118.01 3bsm s GLN 151 Ca 0.01 -0.44 -0.16 0.00 -1.95 0.00 0.00 55.36 52.82 3bsm s GLN 151 Cb -0.13 0.12 0.03 0.00 -0.22 0.00 0.00 33.01 32.80 3bsm s GLN 151 CO 0.03 -0.06 0.46 -1.54 -0.25 0.00 0.00 175.29 173.93 3bsm s SER 152 N -1.16 -0.24 0.64 5.90 1.04 -1.26 -2.28 113.70 116.33 3bsm s SER 152 Ca -0.13 -0.43 -0.15 0.00 0.48 0.00 0.00 55.95 55.73 3bsm s SER 152 Cb -0.08 0.53 -0.01 0.00 0.10 0.00 0.00 66.02 66.55 3bsm s SER 152 CO -0.00 -0.96 1.08 -0.83 0.98 0.00 0.00 173.24 173.51 3bsm s GLY 153 N -2.85 2.07 -0.35 7.32 0.00 -0.56 -4.96 107.32 107.99 3bsm s GLY 153 Ca 0.07 0.41 -0.08 0.00 0.00 0.00 0.00 44.72 45.12 3bsm s GLY 153 CO -0.07 0.74 0.15 0.14 0.00 0.00 0.00 173.10 174.06 3bsm s VAL 154 N -2.50 4.12 0.02 1.40 1.01 -1.26 -4.73 120.40 118.46 3bsm s VAL 154 Ca 0.64 -1.00 -0.38 0.00 0.00 0.00 0.00 61.98 61.24 3bsm s VAL 154 Cb -0.17 -3.31 -0.17 0.00 0.00 0.00 0.00 36.38 32.72 3bsm s VAL 154 CO 0.41 -0.19 1.37 -2.65 0.00 0.00 0.00 175.10 174.04 3bsm n PRO 155 N 4.89 0.99 0.00 2.72 -0.02 -1.26 -5.03 135.00 137.30 3bsm n PRO 155 Ca -0.12 0.36 0.00 0.00 -2.02 0.00 0.00 63.50 61.72 3bsm n PRO 155 Cb 0.45 -1.99 0.00 0.00 -0.02 0.00 0.00 33.50 31.95 3bsm n PRO 155 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3bsm n GLY 156 N 2.65 1.00 0.00 -1.23 0.00 -1.26 -4.99 105.19 101.35 3bsm n GLY 156 Ca 0.20 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.42 3bsm n GLY 156 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3bsm n SER 185 N 0.76 0.00 -0.09 1.61 2.88 -1.26 -5.10 113.62 112.42 3bsm n SER 185 Ca 0.00 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.44 3bsm n SER 185 Cb 0.00 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.44 3bsm n SER 185 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 3bsm h THR 186 N 0.00 1.16 -0.80 2.46 2.02 -1.99 -2.53 112.91 113.23 3bsm h THR 186 Ca 0.00 -0.47 0.04 0.00 0.77 0.00 0.00 66.41 66.75 3bsm h THR 186 Cb 0.00 0.93 -0.05 0.00 -1.74 0.00 0.00 68.15 67.29 3bsm h THR 186 CO 0.00 0.17 0.51 -0.08 0.37 0.00 0.00 175.52 176.48 3bsm h GLU 187 N 0.34 0.94 -0.65 6.66 4.57 -2.01 0.38 114.58 124.81 3bsm h GLU 187 Ca 0.10 -0.06 -0.09 0.00 -1.18 0.00 0.00 59.36 58.14 3bsm h GLU 187 Cb 0.14 -0.21 -0.02 0.00 -0.16 0.00 0.00 28.75 28.49 3bsm h GLU 187 CO -0.01 0.62 0.07 0.87 -1.18 0.00 0.00 179.01 179.38 3bsm h LYS 188 N 0.97 1.10 0.15 1.92 1.57 -1.93 -2.10 116.57 118.25 3bsm h LYS 188 Ca 0.33 -0.32 -0.01 0.00 -1.87 0.00 0.00 60.65 58.78 3bsm h LYS 188 Cb 0.04 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.24 3bsm h LYS 188 CO -0.12 1.03 -0.07 -0.92 -0.57 0.00 0.00 179.45 178.80 3bsm h TYR 189 N 1.02 -0.18 -0.74 -1.35 3.20 -0.94 0.52 116.97 118.49 3bsm h TYR 189 Ca 0.19 -0.00 0.09 0.00 3.14 0.00 0.00 58.73 62.15 3bsm h TYR 189 Cb 0.49 0.06 -0.05 0.00 1.54 0.00 0.00 36.73 38.77 3bsm h TYR 189 CO 0.04 -0.03 0.49 -0.07 -1.64 0.00 0.00 178.16 176.94 3bsm h LEU 190 N -0.30 0.60 0.00 2.82 3.38 -0.83 0.24 115.31 121.22 3bsm h LEU 190 Ca -0.02 0.01 -0.21 0.00 0.09 0.00 0.00 57.88 57.75 3bsm h LEU 190 Cb 0.23 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 3bsm h LEU 190 CO 0.03 0.36 -1.02 0.78 0.09 0.00 0.00 178.44 178.69 3bsm h ASN 191 N 0.67 0.00 0.21 -0.43 2.35 -1.15 -3.37 115.58 113.86 3bsm h ASN 191 Ca 0.34 0.00 -0.28 0.00 -0.55 0.00 0.00 56.30 55.80 3bsm h ASN 191 Cb 0.43 0.00 0.03 0.00 0.05 0.00 0.00 38.32 38.84 3bsm h ASN 191 CO -0.12 1.00 -1.24 -0.74 -1.65 0.00 0.00 177.43 174.67 3bsm h HIS 192 N 0.00 0.84 -0.71 1.19 2.76 0.00 -3.38 115.15 115.85 3bsm h HIS 192 Ca -0.02 -0.61 0.14 0.00 -2.20 0.00 0.00 60.37 57.69 3bsm h HIS 192 Cb 1.77 -0.04 -0.13 0.00 1.55 0.00 0.00 27.41 30.56 3bsm h HIS 192 CO 0.00 1.47 -0.16 0.00 -1.30 0.00 0.00 177.93 177.94 3bsm h ALA 193 N 0.13 0.50 -0.70 5.26 0.00 -1.14 -0.60 119.26 122.71 3bsm h ALA 193 Ca -0.22 0.27 0.04 0.00 0.00 0.00 0.00 54.91 55.01 3bsm h ALA 193 Cb 1.98 0.53 -0.04 0.00 0.00 0.00 0.00 17.79 20.26 3bsm h ALA 193 CO 0.23 -0.42 0.46 -1.35 0.00 0.00 0.00 179.25 178.18 3bsm h PRO 194 N 0.01 0.80 -0.71 0.00 0.11 -1.76 -2.11 132.00 128.35 3bsm h PRO 194 Ca 0.35 -0.05 -0.05 0.00 0.11 0.00 0.00 66.00 66.36 3bsm h PRO 194 Cb 0.54 -0.18 -0.03 0.00 0.11 0.00 0.00 31.00 31.43 3bsm h PRO 194 CO -0.72 0.53 0.25 0.87 -0.21 0.00 0.00 178.00 178.72 3bsm h LYS 195 N 0.83 1.07 0.01 1.05 1.57 -1.30 -0.71 116.57 119.10 3bsm h LYS 195 Ca 0.28 -0.20 -0.00 0.00 -1.87 0.00 0.00 60.65 58.86 3bsm h LYS 195 Cb 0.09 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.24 3bsm h LYS 195 CO -0.08 0.90 -0.01 1.25 -0.57 0.00 0.00 179.45 180.94 3bsm h LEU 196 N 1.04 -0.02 -0.75 2.94 5.85 -1.09 -0.69 115.31 122.60 3bsm h LEU 196 Ca 0.23 -0.06 -0.08 0.00 0.84 0.00 0.00 57.88 58.81 3bsm h LEU 196 Cb 0.25 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.26 3bsm h LEU 196 CO -0.01 0.05 0.02 -0.26 -0.34 0.00 0.00 178.44 177.89 3bsm h PHE 197 N -0.08 1.05 -0.56 1.25 0.04 -1.31 -0.89 116.94 116.44 3bsm h PHE 197 Ca -0.00 -0.16 0.01 0.00 2.80 0.00 0.00 57.97 60.61 3bsm h PHE 197 Cb 0.07 -0.28 -0.03 0.00 2.20 0.00 0.00 35.95 37.91 3bsm h PHE 197 CO -0.06 0.92 0.37 0.00 -0.60 0.00 0.00 178.31 178.95 3bsm h ALA 198 N 1.11 0.71 -0.48 2.45 0.00 -0.96 -1.19 119.26 120.91 3bsm h ALA 198 Ca 0.17 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 3bsm h ALA 198 Cb 0.49 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 3bsm h ALA 198 CO 0.02 0.15 0.27 0.00 0.00 0.00 0.00 179.25 179.69 3bsm h ALA 199 N 1.20 0.61 -0.66 0.00 0.00 -0.70 -0.67 119.26 119.06 3bsm h ALA 199 Ca 0.21 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 3bsm h ALA 199 Cb -0.09 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.48 3bsm h ALA 199 CO -0.04 0.13 0.21 -0.39 0.00 0.00 0.00 179.25 179.16 3bsm h VAL 200 N 0.64 1.24 -0.35 0.00 -1.51 -0.73 -1.90 116.25 113.63 3bsm h VAL 200 Ca 0.17 -0.82 -0.15 0.00 -1.23 0.00 0.00 66.70 64.67 3bsm h VAL 200 Cb 0.04 0.51 -0.01 0.00 -2.13 0.00 0.00 31.29 29.70 3bsm h VAL 200 CO -0.03 0.32 -0.38 0.03 -1.23 0.00 0.00 177.57 176.28 3bsm h ARG 201 N 0.96 0.85 -0.67 5.19 2.47 -0.88 0.63 114.38 122.93 3bsm h ARG 201 Ca 0.22 -0.44 -0.07 0.00 -1.26 0.00 0.00 59.98 58.43 3bsm h ARG 201 Cb 0.26 0.01 -0.03 0.00 -1.65 0.00 0.00 29.97 28.56 3bsm h ARG 201 CO -0.01 1.08 0.14 1.49 0.56 0.00 0.00 179.97 183.22 3bsm h GLU 202 N 0.69 1.09 0.03 0.04 4.81 -0.87 -0.81 114.58 119.56 3bsm h GLU 202 Ca 0.06 -0.28 -0.24 0.00 -0.13 0.00 0.00 59.36 58.77 3bsm h GLU 202 Cb 0.95 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 30.17 3bsm h GLU 202 CO 0.09 0.99 -1.21 -0.09 -0.73 0.00 0.00 179.01 178.06 3bsm h ARG 203 N 1.02 0.06 -0.00 1.92 2.43 -1.27 -3.40 114.38 115.13 3bsm h ARG 203 Ca 0.21 -0.10 0.00 0.00 -0.81 0.00 0.00 59.98 59.28 3bsm h ARG 203 Cb 0.41 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.99 3bsm h ARG 203 CO 0.01 0.95 -0.23 1.19 -1.51 0.00 0.00 179.97 180.38 3bsm n PHE 204 N -3.33 0.00 0.00 2.20 3.72 0.21 -5.10 117.46 115.16 3bsm n PHE 204 Ca -0.06 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.34 3bsm n PHE 204 Cb 0.98 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.52 3bsm n PHE 204 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3bsm n GLY 205 N 0.95 -0.63 0.02 1.37 0.00 -0.31 -4.67 105.19 101.92 3bsm n GLY 205 Ca 0.02 -1.76 0.12 0.00 0.00 0.00 0.00 46.02 44.41 3bsm n GLY 205 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3bsm n ASP 206 N -0.69 0.53 -0.03 1.61 8.00 -1.26 -4.26 116.55 120.45 3bsm n ASP 206 Ca 0.00 -0.29 -0.13 0.00 0.71 0.00 0.00 54.79 55.08 3bsm n ASP 206 Cb 0.00 0.24 -0.00 0.00 -0.02 0.00 0.00 41.12 41.33 3bsm n ASP 206 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 3bsm h ASP 207 N 0.08 0.81 -3.29 -2.24 3.32 -1.99 -3.45 116.42 109.65 3bsm h ASP 207 Ca 0.00 -0.45 -0.54 0.00 0.02 0.00 0.00 57.03 56.06 3bsm h ASP 207 Cb 0.50 -0.23 0.09 0.00 0.22 0.00 0.00 39.33 39.90 3bsm h ASP 207 CO 0.00 1.21 0.85 -0.11 -1.72 0.00 0.00 179.24 179.48 3bsm n LEU 208 N -3.97 4.31 -4.67 1.55 7.94 -1.26 -4.97 117.00 115.93 3bsm n LEU 208 Ca -0.04 1.15 -0.41 0.00 -1.11 0.00 0.00 56.01 55.60 3bsm n LEU 208 Cb 0.64 -1.58 -0.05 0.00 0.53 0.00 0.00 43.42 42.96 3bsm n LEU 208 CO 0.49 0.11 0.50 -1.00 -1.11 0.00 0.00 177.39 176.38 3bsm s HIS 209 N -0.11 3.41 -0.12 1.96 3.76 -0.93 -4.98 115.29 118.28 3bsm s HIS 209 Ca 0.63 1.13 0.03 0.00 -0.15 0.00 0.00 55.06 56.70 3bsm s HIS 209 Cb -0.50 -2.91 0.01 0.00 1.11 0.00 0.00 32.58 30.28 3bsm s HIS 209 CO 0.50 -0.19 -0.21 0.54 -0.85 0.00 0.00 174.74 174.53 3bsm s VAL 210 N 1.96 1.93 0.27 -0.90 0.11 -1.26 -0.65 120.40 121.87 3bsm s VAL 210 Ca 0.34 -0.92 0.09 0.00 -2.93 0.00 0.00 61.98 58.56 3bsm s VAL 210 Cb -0.16 -1.70 -0.04 0.00 -1.53 0.00 0.00 36.38 32.95 3bsm s VAL 210 CO 0.12 0.53 0.08 -0.76 -3.33 0.00 0.00 175.10 171.74 3bsm s LEU 211 N 0.64 3.40 -0.14 2.54 1.02 0.55 -0.56 118.68 126.13 3bsm s LEU 211 Ca -0.12 -0.53 -0.11 0.00 0.02 0.00 0.00 54.13 53.38 3bsm s LEU 211 Cb -0.16 -1.92 0.04 0.00 0.02 0.00 0.00 46.19 44.17 3bsm s LEU 211 CO 0.03 -0.05 0.36 -2.28 0.02 0.00 0.00 176.35 174.43 3bsm s HIS 212 N -2.28 -0.44 -0.21 0.29 2.46 -0.94 -1.04 115.29 113.14 3bsm s HIS 212 Ca 0.33 1.03 -0.07 0.00 0.47 0.00 0.00 55.06 56.82 3bsm s HIS 212 Cb -0.06 0.16 -0.03 0.00 -0.13 0.00 0.00 32.58 32.51 3bsm s HIS 212 CO 0.22 -0.23 0.04 0.34 -2.47 0.00 0.00 174.74 172.64 3bsm s ASP 213 N 0.57 5.20 0.00 9.88 -1.08 -1.26 -1.02 116.67 128.95 3bsm s ASP 213 Ca -0.03 -0.11 0.25 0.00 -0.52 0.00 0.00 52.55 52.15 3bsm s ASP 213 Cb -0.05 -1.90 0.58 0.00 -1.46 0.00 0.00 42.92 40.09 3bsm s ASP 213 CO -0.03 0.07 1.48 1.33 0.52 0.00 0.00 175.17 178.53 3bsm n VAL 214 N 4.21 0.06 -4.07 1.11 0.24 -0.70 -4.96 118.33 114.22 3bsm n VAL 214 Ca -0.17 -0.41 -0.32 0.00 -2.04 0.00 0.00 64.34 61.40 3bsm n VAL 214 Cb 0.52 1.00 -0.01 0.00 -1.47 0.00 0.00 33.84 33.88 3bsm n VAL 214 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 3bsm n HIS 215 N 0.84 -1.84 -4.28 6.34 8.25 -1.22 -2.67 115.22 120.64 3bsm n HIS 215 Ca 0.16 0.81 -0.38 0.00 -0.26 0.00 0.00 57.72 58.06 3bsm n HIS 215 Cb 0.49 -3.41 -0.08 0.00 1.12 0.00 0.00 29.99 28.11 3bsm n HIS 215 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 3bsm n HIS 216 N -4.45 -1.08 1.09 4.41 1.44 0.31 -4.82 115.22 112.12 3bsm n HIS 216 Ca -0.04 0.62 0.13 0.00 -2.01 0.00 0.00 57.72 56.41 3bsm n HIS 216 Cb 0.55 -1.86 0.33 0.00 0.12 0.00 0.00 29.99 29.13 3bsm n HIS 216 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 3bsm n ARG 217 N -3.87 0.27 -4.03 -1.40 5.12 -1.09 -4.39 116.66 107.27 3bsm n ARG 217 Ca 0.04 -0.15 -0.22 0.00 -1.93 0.00 0.00 57.85 55.60 3bsm n ARG 217 Cb 0.45 -1.50 -0.04 0.00 -1.16 0.00 0.00 32.46 30.22 3bsm n ARG 217 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 3bsm s LEU 218 N -2.83 3.82 0.40 0.55 1.02 -1.21 -5.01 118.68 115.42 3bsm s LEU 218 Ca 0.16 -0.27 0.00 0.00 0.02 0.00 0.00 54.13 54.04 3bsm s LEU 218 Cb 0.18 -2.38 -0.02 0.00 0.02 0.00 0.00 46.19 44.00 3bsm s LEU 218 CO 0.63 -0.11 0.62 0.42 0.02 0.00 0.00 176.35 177.92 3bsm s THR 219 N -2.16 4.58 0.22 5.49 -4.23 -1.26 -4.46 115.64 113.83 3bsm s THR 219 Ca 0.35 -0.45 -0.09 0.00 -1.18 0.00 0.00 61.69 60.33 3bsm s THR 219 Cb -0.08 -3.68 0.20 0.00 1.34 0.00 0.00 72.50 70.28 3bsm s THR 219 CO 0.26 -0.47 1.69 -0.65 -0.54 0.00 0.00 174.62 174.90 3bsm h PRO 220 N 0.56 0.21 -0.08 3.99 0.11 -1.93 -0.72 132.00 134.15 3bsm h PRO 220 Ca -0.48 -0.01 -0.08 0.00 0.11 0.00 0.00 66.00 65.54 3bsm h PRO 220 Cb 1.23 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 3bsm h PRO 220 CO 0.59 0.14 -0.29 0.97 -0.21 0.00 0.00 178.00 179.20 3bsm h ILE 221 N 0.22 1.24 -0.32 4.15 6.09 -1.93 0.57 117.51 127.53 3bsm h ILE 221 Ca 0.35 -1.15 -0.17 0.00 -1.37 0.00 0.00 64.86 62.52 3bsm h ILE 221 Cb 0.56 1.51 -0.00 0.00 0.47 0.00 0.00 36.82 39.35 3bsm h ILE 221 CO -0.48 0.34 -0.47 -0.33 -3.07 0.00 0.00 178.15 174.15 3bsm h GLU 222 N 0.14 0.86 -0.29 2.19 5.08 -1.71 -1.47 114.58 119.38 3bsm h GLU 222 Ca 0.02 -0.50 -0.10 0.00 -1.00 0.00 0.00 59.36 57.78 3bsm h GLU 222 Cb 0.59 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.87 3bsm h GLU 222 CO 0.04 1.14 -0.24 0.00 -1.00 0.00 0.00 179.01 178.95 3bsm h ALA 223 N 0.78 1.04 -0.32 3.43 0.00 -0.66 -0.41 119.26 123.11 3bsm h ALA 223 Ca 0.04 -0.35 -0.00 0.00 0.00 0.00 0.00 54.91 54.59 3bsm h ALA 223 Cb 1.06 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 3bsm h ALA 223 CO 0.11 0.58 0.18 0.00 0.00 0.00 0.00 179.25 180.12 3bsm h ALA 224 N 1.24 0.42 -0.19 0.00 0.00 -0.67 0.22 119.26 120.28 3bsm h ALA 224 Ca 0.07 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 54.94 3bsm h ALA 224 Cb 0.69 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 3bsm h ALA 224 CO 0.05 -0.07 0.04 -0.09 0.00 0.00 0.00 179.25 179.18 3bsm h ARG 225 N 0.41 0.11 -0.41 0.00 2.43 -0.87 -1.40 114.38 114.65 3bsm h ARG 225 Ca 0.11 -0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.29 3bsm h ARG 225 Cb 0.04 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.55 3bsm h ARG 225 CO -0.02 0.07 0.25 1.25 -1.51 0.00 0.00 179.97 180.02 3bsm h LEU 226 N 0.11 0.42 -0.63 3.80 5.85 -0.73 -1.03 115.31 123.11 3bsm h LEU 226 Ca 0.08 -0.00 0.08 0.00 0.84 0.00 0.00 57.88 58.88 3bsm h LEU 226 Cb 0.08 -0.09 -0.06 0.00 0.37 0.00 0.00 40.66 40.95 3bsm h LEU 226 CO -0.11 0.30 0.30 1.23 -0.34 0.00 0.00 178.44 179.82 3bsm h GLY 227 N 0.51 0.91 0.94 3.75 0.00 -0.12 -1.51 103.07 107.55 3bsm h GLY 227 Ca 0.16 -0.19 -0.04 0.00 0.00 0.00 0.00 47.33 47.26 3bsm h GLY 227 CO -0.06 0.06 0.10 0.50 0.00 0.00 0.00 176.54 177.14 3bsm h LYS 228 N 0.53 0.65 -0.13 4.80 1.57 -0.92 -2.70 116.57 120.38 3bsm h LYS 228 Ca 0.30 -0.16 -0.03 0.00 -1.87 0.00 0.00 60.65 58.89 3bsm h LYS 228 Cb 0.29 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.51 3bsm h LYS 228 CO -0.24 0.67 -0.06 0.00 -0.57 0.00 0.00 179.45 179.25 3bsm h ALA 229 N 0.95 1.65 -0.17 3.86 0.00 -0.59 -2.66 119.26 122.32 3bsm h ALA 229 Ca 0.13 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3bsm h ALA 229 Cb 0.32 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3bsm h ALA 229 CO 0.00 0.26 0.00 1.33 0.00 0.00 0.00 179.25 180.84 3bsm n VAL 230 N -4.36 0.20 -0.35 0.00 0.24 -0.63 -4.42 118.33 109.01 3bsm n VAL 230 Ca -0.01 -0.48 0.11 0.00 -2.04 0.00 0.00 64.34 61.91 3bsm n VAL 230 Cb 0.20 0.87 0.30 0.00 -1.47 0.00 0.00 33.84 33.75 3bsm n VAL 230 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 3bsm h GLU 231 N 3.56 0.82 0.00 7.34 5.08 -1.14 -0.40 114.58 129.85 3bsm h GLU 231 Ca 0.00 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.31 3bsm h GLU 231 Cb 0.77 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.84 3bsm h GLU 231 CO 0.00 0.54 -0.01 -1.35 -1.00 0.00 0.00 179.01 177.20 3bsm h PRO 232 N 0.85 0.00 -0.02 2.33 0.11 -1.81 -2.15 132.00 131.31 3bsm h PRO 232 Ca 0.53 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.64 3bsm h PRO 232 Cb 0.73 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.84 3bsm h PRO 232 CO -0.32 0.01 -0.04 0.66 -0.21 0.00 0.00 178.00 178.10 3bsm n TYR 233 N -3.12 0.00 -3.79 0.65 4.01 -0.16 -5.00 117.16 109.74 3bsm n TYR 233 Ca -0.02 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.43 3bsm n TYR 233 Cb 0.15 -0.01 0.01 0.00 -0.31 0.00 0.00 39.34 39.18 3bsm n TYR 233 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 3bsm n HIS 234 N 0.35 -1.93 -2.17 -0.72 8.25 -0.81 -4.92 115.22 113.27 3bsm n HIS 234 Ca 0.17 0.60 -0.37 0.00 -0.26 0.00 0.00 57.72 57.86 3bsm n HIS 234 Cb 0.41 -2.99 -0.00 0.00 1.12 0.00 0.00 29.99 28.53 3bsm n HIS 234 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3bsm s LEU 235 N -5.77 3.98 0.17 2.41 1.02 -1.26 -4.72 118.68 114.50 3bsm s LEU 235 Ca 0.20 2.39 -0.13 0.00 0.02 0.00 0.00 54.13 56.61 3bsm s LEU 235 Cb -0.10 -4.25 0.06 0.00 0.02 0.00 0.00 46.19 41.93 3bsm s LEU 235 CO 0.90 -1.03 1.73 0.15 0.02 0.00 0.00 176.35 178.12 3bsm h PHE 236 N 1.94 0.85 -2.17 0.29 3.57 -1.19 -3.40 116.94 116.84 3bsm h PHE 236 Ca -0.50 -0.06 0.15 0.00 3.53 0.00 0.00 57.97 61.09 3bsm h PHE 236 Cb 1.26 -0.26 -0.14 0.00 2.79 0.00 0.00 35.95 39.60 3bsm h PHE 236 CO 0.52 0.68 0.54 1.67 -2.23 0.00 0.00 178.31 179.49 3bsm s TRP 237 N -5.59 -0.27 -0.23 0.41 -2.14 -1.25 -4.61 118.94 105.26 3bsm s TRP 237 Ca -0.13 0.11 0.01 0.00 2.66 0.00 0.00 56.10 58.75 3bsm s TRP 237 Cb 0.12 0.56 0.06 0.00 -3.10 0.00 0.00 33.47 31.11 3bsm s TRP 237 CO 0.79 -0.56 -0.08 -1.17 -2.66 0.00 0.00 176.95 173.27 3bsm s LEU 238 N -2.57 2.78 0.16 -4.66 2.96 -0.20 -2.21 118.68 114.94 3bsm s LEU 238 Ca 0.07 -1.18 0.04 0.00 -0.22 0.00 0.00 54.13 52.85 3bsm s LEU 238 Cb -0.01 -1.31 -0.04 0.00 0.50 0.00 0.00 46.19 45.33 3bsm s LEU 238 CO -0.06 -0.20 0.17 -1.83 -1.32 0.00 0.00 176.35 173.11 3bsm s GLU 239 N 1.30 3.02 -1.37 1.98 -1.05 -0.19 -1.95 118.70 120.43 3bsm s GLU 239 Ca -0.06 -0.81 -0.01 0.00 -0.15 0.00 0.00 54.97 53.95 3bsm s GLU 239 Cb -0.19 -2.71 -0.00 0.00 -0.44 0.00 0.00 34.13 30.79 3bsm s GLU 239 CO -0.06 0.49 0.50 -3.47 0.95 0.00 0.00 175.26 173.67 3bsm n ASP 240 N -0.39 -0.66 -0.06 0.83 2.03 -0.73 -1.72 116.55 115.85 3bsm n ASP 240 Ca -0.08 -0.96 -0.10 0.00 0.52 0.00 0.00 54.79 54.18 3bsm n ASP 240 Cb 0.54 -3.34 -0.03 0.00 -0.72 0.00 0.00 41.12 37.58 3bsm n ASP 240 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3bsm s VAL 242 N -6.16 0.13 0.12 0.00 -7.23 -1.26 -3.31 120.40 102.69 3bsm s VAL 242 Ca -0.13 -1.75 -0.31 0.00 -1.81 0.00 0.00 61.98 57.98 3bsm s VAL 242 Cb 0.09 -1.84 -0.09 0.00 0.56 0.00 0.00 36.38 35.09 3bsm s VAL 242 CO 0.70 -0.57 1.57 -2.84 -0.31 0.00 0.00 175.10 173.65 3bsm s PRO 243 N -3.99 4.22 -0.27 4.82 0.02 -1.26 -4.82 135.00 133.72 3bsm s PRO 243 Ca 0.18 2.31 0.10 0.00 0.02 0.00 0.00 61.00 63.61 3bsm s PRO 243 Cb 0.07 -3.32 0.49 0.00 0.02 0.00 0.00 34.50 31.76 3bsm s PRO 243 CO -0.02 -0.63 1.43 0.00 -0.33 0.00 0.00 177.00 177.45 3bsm n ALA 244 N 4.55 4.09 0.24 -1.55 0.00 -1.26 -4.61 120.51 121.96 3bsm n ALA 244 Ca 0.14 -3.08 0.07 0.00 0.00 0.00 0.00 53.44 50.58 3bsm n ALA 244 Cb 0.40 -0.69 0.60 0.00 0.00 0.00 0.00 19.45 19.76 3bsm n ALA 244 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3bsm h GLU 245 N 1.04 0.03 -4.27 0.00 3.07 -1.95 -3.23 114.58 109.27 3bsm h GLU 245 Ca 0.18 -0.00 -0.74 0.00 -0.50 0.00 0.00 59.36 58.29 3bsm h GLU 245 Cb 1.56 -0.01 -0.24 0.00 -0.84 0.00 0.00 28.75 29.22 3bsm h GLU 245 CO 0.33 0.05 -0.33 1.21 -1.40 0.00 0.00 179.01 178.87 3bsm s ASN 246 N -7.04 6.04 0.58 1.42 3.84 -1.26 -4.95 114.94 113.57 3bsm s ASN 246 Ca -0.05 -1.54 0.28 0.00 0.21 0.00 0.00 52.86 51.76 3bsm s ASN 246 Cb 0.17 -2.14 1.60 0.00 -0.55 0.00 0.00 41.25 40.32 3bsm s ASN 246 CO 0.68 -0.69 2.07 1.56 -2.79 0.00 0.00 177.10 177.93 3bsm h GLN 247 N 8.71 0.00 0.00 0.43 4.20 -1.90 -0.97 115.11 125.58 3bsm h GLN 247 Ca -0.27 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.44 3bsm h GLN 247 Cb 1.10 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.88 3bsm h GLN 247 CO 0.90 0.00 0.00 0.93 -0.67 0.00 0.00 178.83 179.99 3bsm h GLU 248 N 0.00 0.00 -0.43 1.46 5.08 -1.92 -2.86 114.58 115.90 3bsm h GLU 248 Ca 0.11 0.00 0.13 0.00 -1.00 0.00 0.00 59.36 58.60 3bsm h GLU 248 Cb 0.59 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.82 3bsm h GLU 248 CO -0.00 0.00 0.39 0.77 -1.00 0.00 0.00 179.01 179.17 3bsm h SER 249 N 0.00 0.00 1.33 1.42 0.02 -1.51 -0.93 113.55 113.89 3bsm h SER 249 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3bsm h SER 249 Cb 0.15 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.69 3bsm h SER 249 CO 0.00 0.00 -0.18 -0.07 -1.14 0.00 0.00 176.83 175.44 3bsm h LEU 250 N 0.00 0.00 -0.13 5.07 4.07 -1.75 -3.38 115.31 119.18 3bsm h LEU 250 Ca 0.21 -0.06 0.05 0.00 0.08 0.00 0.00 57.88 58.16 3bsm h LEU 250 Cb 0.99 0.00 -0.06 0.00 1.08 0.00 0.00 40.66 42.67 3bsm h LEU 250 CO -0.00 0.03 -0.32 -0.09 -1.08 0.00 0.00 178.44 176.98 3bsm h ARG 251 N 0.00 -0.38 -0.84 1.13 2.43 -1.38 -1.59 114.38 113.75 3bsm h ARG 251 Ca 0.00 0.03 0.08 0.00 -0.81 0.00 0.00 59.98 59.28 3bsm h ARG 251 Cb 0.76 0.09 -0.06 0.00 -0.42 0.00 0.00 29.97 30.34 3bsm h ARG 251 CO 0.00 -0.25 0.55 -0.07 -1.51 0.00 0.00 179.97 178.68 3bsm h LEU 252 N -0.39 0.77 -0.07 3.80 3.38 -1.77 -0.93 115.31 120.10 3bsm h LEU 252 Ca 0.10 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 3bsm h LEU 252 Cb 0.54 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.14 3bsm h LEU 252 CO -0.35 0.48 -0.01 0.40 0.09 0.00 0.00 178.44 179.04 3bsm h ILE 253 N 0.86 1.28 -0.41 1.22 2.04 -1.60 -2.62 117.51 118.28 3bsm h ILE 253 Ca 0.37 -0.88 -0.03 0.00 1.00 0.00 0.00 64.86 65.32 3bsm h ILE 253 Cb 0.32 1.73 -0.02 0.00 -0.74 0.00 0.00 36.82 38.11 3bsm h ILE 253 CO -0.14 0.24 0.13 -0.09 0.00 0.00 0.00 178.15 178.29 3bsm h ARG 254 N -0.19 0.60 0.00 2.37 9.65 -0.88 -1.93 114.38 124.00 3bsm h ARG 254 Ca 0.02 -0.09 -0.02 0.00 -1.10 0.00 0.00 59.98 58.79 3bsm h ARG 254 Cb 0.39 -0.11 -0.00 0.00 -1.39 0.00 0.00 29.97 28.86 3bsm h ARG 254 CO 0.01 0.53 -0.07 0.93 2.80 0.00 0.00 179.97 184.16 3bsm h GLU 255 N 0.59 0.00 -0.01 0.20 5.08 -1.12 -3.32 114.58 116.00 3bsm h GLU 255 Ca 0.14 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 3bsm h GLU 255 Cb 0.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.43 3bsm h GLU 255 CO -0.01 0.07 -0.45 0.72 -1.00 0.00 0.00 179.01 178.35 3bsm n HIS 256 N -3.16 0.00 -3.95 4.33 8.25 -0.79 -5.03 115.22 114.87 3bsm n HIS 256 Ca 0.02 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.39 3bsm n HIS 256 Cb 0.43 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.44 3bsm n HIS 256 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 3bsm s THR 257 N -1.98 0.15 -1.01 1.59 -1.32 -0.82 -4.68 115.64 107.56 3bsm s THR 257 Ca 0.09 -1.22 0.16 0.00 -1.21 0.00 0.00 61.69 59.50 3bsm s THR 257 Cb 0.11 -1.03 0.51 0.00 -1.51 0.00 0.00 72.50 70.58 3bsm s THR 257 CO 0.45 -0.67 1.43 0.35 -2.21 0.00 0.00 174.62 173.96 3bsm n THR 258 N 0.59 1.44 -2.54 5.08 -2.24 -1.26 -4.73 114.28 110.62 3bsm n THR 258 Ca -0.18 -1.20 -0.42 0.00 -2.27 0.00 0.00 64.05 59.98 3bsm n THR 258 Cb 0.59 0.27 -0.03 0.00 -2.10 0.00 0.00 70.33 69.07 3bsm n THR 258 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3bsm s THR 259 N -1.53 4.39 0.35 4.28 2.01 -1.26 -4.97 115.64 118.90 3bsm s THR 259 Ca 0.38 1.71 -0.28 0.00 0.31 0.00 0.00 61.69 63.80 3bsm s THR 259 Cb 0.23 -4.10 -0.12 0.00 0.01 0.00 0.00 72.50 68.53 3bsm s THR 259 CO 0.20 0.10 1.44 -2.65 -0.69 0.00 0.00 174.62 173.02 3bsm n PRO 260 N 4.22 2.49 -4.88 4.92 -0.02 -1.26 -4.88 135.00 135.58 3bsm n PRO 260 Ca 0.08 0.88 -0.32 0.00 -2.02 0.00 0.00 63.50 62.12 3bsm n PRO 260 Cb 0.48 -2.57 -0.13 0.00 -0.02 0.00 0.00 33.50 31.26 3bsm n PRO 260 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3bsm s LEU 261 N -1.47 2.59 0.01 2.45 1.43 -1.26 -1.04 118.68 121.39 3bsm s LEU 261 Ca 0.56 -0.31 0.04 0.00 -1.03 0.00 0.00 54.13 53.39 3bsm s LEU 261 Cb -0.51 -1.51 -0.02 0.00 0.03 0.00 0.00 46.19 44.18 3bsm s LEU 261 CO 0.61 0.31 -0.13 0.00 0.23 0.00 0.00 176.35 177.37 3bsm s ALA 262 N -0.78 1.06 0.19 4.21 0.00 -0.82 0.14 121.76 125.77 3bsm s ALA 262 Ca 0.12 -0.66 -0.21 0.00 0.00 0.00 0.00 51.96 51.21 3bsm s ALA 262 Cb -0.10 -0.21 0.05 0.00 0.00 0.00 0.00 23.12 22.85 3bsm s ALA 262 CO 0.02 0.23 0.60 -1.50 0.00 0.00 0.00 175.76 175.11 3bsm s ILE 263 N -0.57 0.01 0.00 0.00 -1.16 -0.91 -1.78 121.20 116.79 3bsm s ILE 263 Ca 0.03 -0.43 0.00 0.00 -0.51 0.00 0.00 60.65 59.74 3bsm s ILE 263 Cb -0.06 -1.37 0.00 0.00 0.61 0.00 0.00 42.46 41.64 3bsm s ILE 263 CO 0.00 -0.04 0.00 0.61 -2.81 0.00 0.00 174.94 172.70 3bsm n GLY 264 N -0.38 1.02 0.31 1.50 0.00 -1.26 -0.78 105.19 105.60 3bsm n GLY 264 Ca -0.12 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.08 3bsm n GLY 264 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 3bsm h GLU 265 N 1.85 0.00 -0.36 1.61 4.11 -1.96 -1.69 114.58 118.13 3bsm h GLU 265 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 3bsm h GLU 265 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3bsm h GLU 265 CO 0.00 0.01 0.00 1.55 0.07 0.00 0.00 179.01 180.64 3bsm n VAL 266 N -3.42 0.81 -2.40 -1.06 3.14 -1.26 -4.53 118.33 109.61 3bsm n VAL 266 Ca -0.03 -0.91 -0.34 0.00 -2.96 0.00 0.00 64.34 60.11 3bsm n VAL 266 Cb 0.10 0.65 -0.02 0.00 -1.06 0.00 0.00 33.84 33.51 3bsm n VAL 266 CO 0.00 0.00 0.00 -0.36 -6.46 0.00 0.00 176.83 170.01 3bsm s PHE 267 N -1.03 3.01 -0.08 1.45 0.08 -0.70 -4.98 117.98 115.73 3bsm s PHE 267 Ca 0.27 1.55 0.03 0.00 0.12 0.00 0.00 56.93 58.91 3bsm s PHE 267 Cb 0.15 -3.04 -0.05 0.00 -0.57 0.00 0.00 43.02 39.51 3bsm s PHE 267 CO 0.20 -0.90 0.11 0.09 -0.10 0.00 0.00 175.22 174.62 3bsm n ASN 268 N -1.28 2.38 -4.06 1.36 4.13 -1.26 -4.35 115.26 112.19 3bsm n ASN 268 Ca 0.09 -0.26 -0.08 0.00 1.68 0.00 0.00 54.58 56.01 3bsm n ASN 268 Cb 0.53 1.09 -0.10 0.00 -1.54 0.00 0.00 39.78 39.75 3bsm n ASN 268 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 3bsm s SER 269 N -1.92 0.44 0.57 6.41 0.15 -1.26 -4.29 113.70 113.80 3bsm s SER 269 Ca -0.00 -0.82 0.32 0.00 0.70 0.00 0.00 55.95 56.15 3bsm s SER 269 Cb 0.02 0.16 1.73 0.00 -1.71 0.00 0.00 66.02 66.23 3bsm s SER 269 CO 0.14 -0.48 2.17 -0.29 1.20 0.00 0.00 173.24 175.99 3bsm h ILE 270 N 3.69 0.40 0.00 6.45 2.10 -1.93 -0.39 117.51 127.83 3bsm h ILE 270 Ca -0.33 -0.29 0.00 0.00 1.08 0.00 0.00 64.86 65.32 3bsm h ILE 270 Cb 1.17 1.20 0.00 0.00 -1.09 0.00 0.00 36.82 38.10 3bsm h ILE 270 CO 0.57 0.05 0.00 1.41 -1.08 0.00 0.00 178.15 179.10 3bsm n HIS 271 N -3.55 0.00 0.87 2.19 8.25 -1.26 -1.09 115.22 120.63 3bsm n HIS 271 Ca -0.02 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.56 3bsm n HIS 271 Cb 0.17 -0.43 0.34 0.00 1.12 0.00 0.00 29.99 31.19 3bsm n HIS 271 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 3bsm n ASP 272 N -1.43 0.44 0.00 0.41 8.00 -0.16 -4.27 116.55 119.54 3bsm n ASP 272 Ca 0.08 0.10 0.00 0.00 0.71 0.00 0.00 54.79 55.68 3bsm n ASP 272 Cb 0.24 -0.06 0.00 0.00 -0.02 0.00 0.00 41.12 41.29 3bsm n ASP 272 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3bsm h ARG 274 N 0.00 0.26 -0.35 0.00 2.43 -1.29 -1.32 114.38 114.10 3bsm h ARG 274 Ca 0.00 -0.02 -0.09 0.00 -0.81 0.00 0.00 59.98 59.07 3bsm h ARG 274 Cb 0.66 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.14 3bsm h ARG 274 CO 0.00 0.17 -0.12 0.93 -1.51 0.00 0.00 179.97 179.44 3bsm h GLU 275 N 0.26 0.71 -0.77 0.20 5.08 -1.88 -1.18 114.58 117.00 3bsm h GLU 275 Ca 0.21 -0.29 0.11 0.00 -1.00 0.00 0.00 59.36 58.39 3bsm h GLU 275 Cb 0.24 -0.03 -0.08 0.00 0.50 0.00 0.00 28.75 29.38 3bsm h GLU 275 CO -0.25 0.88 0.40 -0.07 -1.00 0.00 0.00 179.01 178.97 3bsm h LEU 276 N 0.49 0.52 0.04 1.33 3.38 -1.78 -0.89 115.31 118.41 3bsm h LEU 276 Ca 0.09 0.07 -0.00 0.00 0.09 0.00 0.00 57.88 58.12 3bsm h LEU 276 Cb 0.64 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.37 3bsm h LEU 276 CO 0.04 0.28 -0.02 0.40 0.09 0.00 0.00 178.44 179.23 3bsm h ILE 277 N 0.65 1.36 0.00 1.22 2.04 -1.16 -0.11 117.51 121.51 3bsm h ILE 277 Ca 0.39 -1.46 -0.03 0.00 1.00 0.00 0.00 64.86 64.76 3bsm h ILE 277 Cb 0.44 2.30 -0.00 0.00 -0.74 0.00 0.00 36.82 38.81 3bsm h ILE 277 CO -0.29 0.36 -0.14 1.56 0.00 0.00 0.00 178.15 179.64 3bsm h GLN 278 N -0.72 0.00 -0.01 2.37 4.20 -1.03 -1.40 115.11 118.52 3bsm h GLN 278 Ca -0.01 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.70 3bsm h GLN 278 Cb 0.63 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.41 3bsm h GLN 278 CO 0.01 0.14 -0.05 0.09 -0.67 0.00 0.00 178.83 178.34 3bsm n ASN 279 N -3.85 1.53 -3.56 1.46 3.02 -0.35 -4.96 115.26 108.55 3bsm n ASN 279 Ca -0.02 -1.43 -0.21 0.00 -0.03 0.00 0.00 54.58 52.90 3bsm n ASN 279 Cb 0.24 0.03 0.07 0.00 -0.61 0.00 0.00 39.78 39.51 3bsm n ASN 279 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3bsm n GLN 280 N 0.11 -6.73 0.00 3.52 6.02 -0.53 -4.92 117.38 114.85 3bsm n GLN 280 Ca 0.17 0.79 0.12 0.00 -0.01 0.00 0.00 57.00 58.08 3bsm n GLN 280 Cb 0.37 -5.75 0.25 0.00 1.02 0.00 0.00 30.24 26.14 3bsm n GLN 280 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 177.06 176.96 3bsm n TRP 281 N -4.48 0.00 -4.12 1.08 8.01 -0.07 -4.93 117.44 112.93 3bsm n TRP 281 Ca -0.17 0.00 -0.09 0.00 -1.31 0.00 0.00 57.50 55.93 3bsm n TRP 281 Cb 0.62 -0.08 -0.10 0.00 -2.01 0.00 0.00 31.31 29.75 3bsm n TRP 281 CO 0.00 0.00 0.00 0.96 -1.01 0.00 0.00 177.69 177.64 3bsm s ILE 282 N -2.47 0.14 -0.02 -0.99 -4.36 -1.25 -4.78 121.20 107.48 3bsm s ILE 282 Ca 0.23 -1.85 0.08 0.00 -0.26 0.00 0.00 60.65 58.85 3bsm s ILE 282 Cb 0.19 -1.84 -0.13 0.00 1.25 0.00 0.00 42.46 41.93 3bsm s ILE 282 CO 0.53 -0.66 0.17 0.47 0.24 0.00 0.00 174.94 175.69 3bsm n ASP 283 N -0.02 3.04 -3.80 4.36 8.00 0.12 -4.75 116.55 123.50 3bsm n ASP 283 Ca -0.09 0.00 -0.14 0.00 0.71 0.00 0.00 54.79 55.28 3bsm n ASP 283 Cb 0.63 1.29 -0.15 0.00 -0.02 0.00 0.00 41.12 42.87 3bsm n ASP 283 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 3bsm s TYR 284 N -2.54 -0.04 -0.20 1.24 2.02 -0.96 -0.84 117.35 116.03 3bsm s TYR 284 Ca -0.03 0.19 -0.09 0.00 -0.37 0.00 0.00 57.07 56.77 3bsm s TYR 284 Cb 0.05 -0.10 -0.04 0.00 -0.40 0.00 0.00 41.96 41.46 3bsm s TYR 284 CO 0.35 -0.08 0.10 -1.50 -1.57 0.00 0.00 175.55 172.85 3bsm s ILE 285 N 0.67 5.07 -1.69 2.71 1.10 -0.47 -2.14 121.20 126.44 3bsm s ILE 285 Ca -0.05 0.07 0.22 0.00 -0.51 0.00 0.00 60.65 60.38 3bsm s ILE 285 Cb -0.08 -3.31 -0.08 0.00 0.15 0.00 0.00 42.46 39.14 3bsm s ILE 285 CO -0.02 0.44 1.03 0.54 -2.11 0.00 0.00 174.94 174.82 3bsm n ARG 286 N 3.64 0.80 -1.66 3.50 5.12 0.04 -1.24 116.66 126.86 3bsm n ARG 286 Ca -0.16 -0.66 -0.52 0.00 -1.93 0.00 0.00 57.85 54.57 3bsm n ARG 286 Cb 0.52 -1.49 -0.06 0.00 -1.16 0.00 0.00 32.46 30.28 3bsm n ARG 286 CO 0.00 0.00 0.00 -0.12 -1.93 0.00 0.00 177.63 175.58 3bsm n MET 287 N -0.52 1.49 -3.20 5.56 1.56 -0.80 -1.55 117.12 119.66 3bsm n MET 287 Ca 0.07 0.54 -0.25 0.00 -0.27 0.00 0.00 57.70 57.80 3bsm n MET 287 Cb 0.42 -2.25 -0.01 0.00 2.15 0.00 0.00 33.22 33.53 3bsm n MET 287 CO 0.00 0.00 0.00 -1.25 -0.73 0.00 0.00 175.97 173.99 3bsm s PRO 288 N 2.17 3.51 0.18 2.12 0.04 -1.26 -4.59 135.00 137.17 3bsm s PRO 288 Ca 0.89 -0.17 -0.20 0.00 0.04 0.00 0.00 61.00 61.56 3bsm s PRO 288 Cb -0.90 -2.60 0.11 0.00 0.04 0.00 0.00 34.50 31.15 3bsm s PRO 288 CO 0.52 0.08 1.60 -0.07 0.04 0.00 0.00 177.00 179.17 3bsm h LEU 289 N 0.74 -0.97 -0.73 -3.56 3.38 -1.89 0.06 115.31 112.33 3bsm h LEU 289 Ca -0.49 0.20 -0.04 0.00 0.09 0.00 0.00 57.88 57.63 3bsm h LEU 289 Cb 1.21 0.49 -0.03 0.00 0.09 0.00 0.00 40.66 42.42 3bsm h LEU 289 CO 0.62 -0.29 0.28 0.71 0.09 0.00 0.00 178.44 179.85 3bsm h THR 290 N -0.17 1.25 -0.00 0.22 1.35 -1.92 0.93 112.91 114.57 3bsm h THR 290 Ca 0.21 -0.80 0.00 0.00 -0.55 0.00 0.00 66.41 65.27 3bsm h THR 290 Cb 0.52 0.41 0.00 0.00 -1.73 0.00 0.00 68.15 67.35 3bsm h THR 290 CO -0.59 0.32 -0.38 1.41 -0.25 0.00 0.00 175.52 176.03 3bsm n HIS 291 N -4.34 0.00 -1.41 4.73 8.25 -1.10 -3.73 115.22 117.63 3bsm n HIS 291 Ca 0.06 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.41 3bsm n HIS 291 Cb 0.19 -0.27 0.19 0.00 1.12 0.00 0.00 29.99 31.22 3bsm n HIS 291 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3bsm n GLY 292 N 1.47 4.84 2.26 -1.41 0.00 -0.01 -4.16 105.19 108.19 3bsm n GLY 292 Ca 0.07 -1.23 0.00 0.00 0.00 0.00 0.00 46.02 44.86 3bsm n GLY 292 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3bsm n GLY 293 N -1.13 0.47 3.88 -0.02 0.00 -1.21 -4.22 105.19 102.96 3bsm n GLY 293 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.44 3bsm n GLY 293 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3bsm n GLY 294 N -2.34 -1.98 0.25 -0.02 0.00 0.31 -4.01 105.19 97.40 3bsm n GLY 294 Ca 0.00 -1.70 -0.06 0.00 0.00 0.00 0.00 46.02 44.26 3bsm n GLY 294 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3bsm h ILE 295 N 0.00 1.17 -0.12 -0.61 1.08 -1.88 -1.11 117.51 116.04 3bsm h ILE 295 Ca 0.00 -0.32 0.02 0.00 -0.39 0.00 0.00 64.86 64.17 3bsm h ILE 295 Cb 0.00 0.27 -0.02 0.00 -3.07 0.00 0.00 36.82 33.99 3bsm h ILE 295 CO 0.00 0.16 -0.02 0.74 -0.69 0.00 0.00 178.15 178.34 3bsm h THR 296 N 0.84 0.89 -0.21 -0.27 2.02 -1.92 -1.70 112.91 112.56 3bsm h THR 296 Ca 0.23 -0.00 -0.13 0.00 0.77 0.00 0.00 66.41 67.28 3bsm h THR 296 Cb -0.08 0.88 0.00 0.00 -1.74 0.00 0.00 68.15 67.21 3bsm h THR 296 CO -0.05 0.00 -0.36 0.00 0.37 0.00 0.00 175.52 175.48 3bsm h ALA 297 N 1.12 0.32 0.00 6.16 0.00 -1.67 -3.25 119.26 121.94 3bsm h ALA 297 Ca 0.06 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.53 3bsm h ALA 297 Cb 0.08 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3bsm h ALA 297 CO -0.12 0.39 0.00 1.98 0.00 0.00 0.00 179.25 181.50 3bsm h MET 298 N 0.29 0.00 -0.66 0.00 -1.53 -1.15 -2.17 114.93 109.71 3bsm h MET 298 Ca 0.01 0.00 -0.09 0.00 -3.44 0.00 0.00 59.70 56.19 3bsm h MET 298 Cb 0.96 0.00 -0.03 0.00 -0.55 0.00 0.00 31.60 31.98 3bsm h MET 298 CO 0.08 0.00 0.08 -0.09 0.14 0.00 0.00 176.91 177.12 3bsm h ARG 299 N 0.00 1.11 -0.23 0.39 2.43 -1.34 -0.21 114.38 116.53 3bsm h ARG 299 Ca 0.00 -0.31 -0.19 0.00 -0.81 0.00 0.00 59.98 58.67 3bsm h ARG 299 Cb 0.58 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 30.01 3bsm h ARG 299 CO 0.00 1.03 -0.60 0.00 -1.51 0.00 0.00 179.97 178.89 3bsm h ARG 300 N 1.02 0.76 -0.61 0.20 3.08 -1.48 -1.50 114.38 115.85 3bsm h ARG 300 Ca 0.20 -0.51 -0.09 0.00 0.07 0.00 0.00 59.98 59.64 3bsm h ARG 300 Cb 0.48 0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.58 3bsm h ARG 300 CO 0.02 1.13 0.03 -0.39 -1.07 0.00 0.00 179.97 179.69 3bsm h VAL 301 N 0.56 1.27 -0.74 2.04 -1.51 -1.25 -1.00 116.25 115.62 3bsm h VAL 301 Ca -0.00 -1.12 -0.05 0.00 -1.23 0.00 0.00 66.70 64.30 3bsm h VAL 301 Cb 1.20 0.78 -0.03 0.00 -2.13 0.00 0.00 31.29 31.10 3bsm h VAL 301 CO 0.12 0.41 0.27 0.00 -1.23 0.00 0.00 177.57 177.15 3bsm h ALA 302 N 1.00 0.97 -0.11 5.19 0.00 -0.96 -0.06 119.26 125.29 3bsm h ALA 302 Ca 0.18 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3bsm h ALA 302 Cb 0.53 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3bsm h ALA 302 CO 0.03 0.61 0.07 -0.44 0.00 0.00 0.00 179.25 179.51 3bsm h ASP 303 N 1.08 0.13 -0.39 0.00 3.32 -0.95 -0.86 116.42 118.75 3bsm h ASP 303 Ca 0.24 -0.03 0.01 0.00 0.02 0.00 0.00 57.03 57.28 3bsm h ASP 303 Cb 0.25 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 39.74 3bsm h ASP 303 CO -0.02 0.12 0.25 0.25 -1.72 0.00 0.00 179.24 178.12 3bsm h LEU 304 N 0.12 0.42 -0.89 1.55 5.85 -0.89 -2.65 115.31 118.82 3bsm h LEU 304 Ca 0.04 -0.01 0.07 0.00 0.84 0.00 0.00 57.88 58.82 3bsm h LEU 304 Cb 0.01 -0.10 -0.06 0.00 0.37 0.00 0.00 40.66 40.88 3bsm h LEU 304 CO -0.01 0.30 0.55 0.00 -0.34 0.00 0.00 178.44 178.95 3bsm h ALA 305 N 1.15 1.23 0.00 1.25 0.00 -0.74 -1.85 119.26 120.30 3bsm h ALA 305 Ca 0.15 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 3bsm h ALA 305 Cb -0.04 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.51 3bsm h ALA 305 CO -0.05 0.29 -0.06 0.66 0.00 0.00 0.00 179.25 180.10 3bsm h SER 306 N 1.00 0.00 0.85 0.00 4.64 -0.79 -0.11 113.55 119.13 3bsm h SER 306 Ca 0.39 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.71 3bsm h SER 306 Cb 0.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.28 3bsm h SER 306 CO -0.18 0.06 0.00 -0.07 -0.87 0.00 0.00 176.83 175.77 3bsm h LEU 307 N 0.00 0.00 -2.89 5.97 3.38 -1.26 -3.20 115.31 117.31 3bsm h LEU 307 Ca -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3bsm h LEU 307 Cb 0.16 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 3bsm h LEU 307 CO 0.01 0.00 -0.19 -1.22 0.09 0.00 0.00 178.44 177.13 3bsm n TYR 308 N -2.98 0.00 -1.07 1.13 4.01 -0.17 -4.98 117.16 113.11 3bsm n TYR 308 Ca 0.00 -0.96 -0.02 0.00 -0.16 0.00 0.00 57.90 56.76 3bsm n TYR 308 Cb 0.26 -0.16 -0.01 0.00 -0.31 0.00 0.00 39.34 39.13 3bsm n TYR 308 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 3bsm n HIS 309 N -1.15 0.00 -3.05 -0.72 8.25 -1.05 -4.89 115.22 112.61 3bsm n HIS 309 Ca 0.14 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.21 3bsm n HIS 309 Cb 0.67 -1.22 -0.06 0.00 1.12 0.00 0.00 29.99 30.50 3bsm n HIS 309 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3bsm s VAL 310 N -1.70 4.50 0.29 1.59 1.01 -0.52 -4.93 120.40 120.64 3bsm s VAL 310 Ca 0.00 1.58 0.10 0.00 0.00 0.00 0.00 61.98 63.66 3bsm s VAL 310 Cb 0.00 -4.08 -0.05 0.00 0.00 0.00 0.00 36.38 32.25 3bsm s VAL 310 CO 0.00 0.51 -0.04 -0.13 0.00 0.00 0.00 175.10 175.44 3bsm s ARG 311 N -1.00 2.11 0.33 2.72 0.52 -0.02 -3.82 118.95 119.80 3bsm s ARG 311 Ca 0.34 -1.58 -0.27 0.00 -0.52 0.00 0.00 55.73 53.71 3bsm s ARG 311 Cb -0.22 -2.02 -0.09 0.00 0.52 0.00 0.00 34.95 33.14 3bsm s ARG 311 CO 0.24 0.29 1.01 0.95 0.02 0.00 0.00 175.30 177.81 3bsm s THR 312 N -2.42 3.88 -0.40 0.02 -4.23 -0.34 -1.37 115.64 110.79 3bsm s THR 312 Ca 0.32 1.62 0.10 0.00 -1.18 0.00 0.00 61.69 62.55 3bsm s THR 312 Cb -0.04 -3.93 0.35 0.00 1.34 0.00 0.00 72.50 70.22 3bsm s THR 312 CO 0.19 0.18 0.96 0.61 -0.54 0.00 0.00 174.62 176.02 3bsm n GLY 313 N 0.72 2.05 3.57 3.99 0.00 -0.38 -0.82 105.19 114.33 3bsm n GLY 313 Ca 0.02 -0.86 -0.58 0.00 0.00 0.00 0.00 46.02 44.60 3bsm n GLY 313 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3bsm n PHE 314 N 0.20 1.14 -2.18 1.61 0.99 -1.23 -4.23 117.46 113.76 3bsm n PHE 314 Ca 0.14 0.91 -0.42 0.00 -0.00 0.00 0.00 57.45 58.07 3bsm n PHE 314 Cb 0.71 -2.21 -0.03 0.00 -1.00 0.00 0.00 39.48 36.95 3bsm n PHE 314 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.76 175.18 3bsm s HIS 315 N 0.76 3.13 -0.43 1.38 5.65 -0.60 -3.06 115.29 122.13 3bsm s HIS 315 Ca 0.91 0.91 0.09 0.00 0.25 0.00 0.00 55.06 57.22 3bsm s HIS 315 Cb -1.19 -3.68 0.31 0.00 -1.18 0.00 0.00 32.58 26.84 3bsm s HIS 315 CO 0.58 -2.42 0.69 0.41 -0.65 0.00 0.00 174.74 173.35 3bsm n GLY 316 N 3.54 3.75 3.85 1.59 0.00 -1.26 -4.68 105.19 111.97 3bsm n GLY 316 Ca 0.12 -1.90 -0.30 0.00 0.00 0.00 0.00 46.02 43.94 3bsm n GLY 316 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3bsm n PRO 317 N 0.63 -1.64 0.19 1.61 -0.04 -1.26 -3.29 135.00 131.20 3bsm n PRO 317 Ca 0.25 -2.03 0.07 0.00 -0.04 0.00 0.00 63.50 61.75 3bsm n PRO 317 Cb 0.56 -1.44 0.28 0.00 -0.04 0.00 0.00 33.50 32.86 3bsm n PRO 317 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 3bsm h THR 318 N -1.95 0.70 0.00 0.52 1.35 -1.92 -3.06 112.91 108.55 3bsm h THR 318 Ca -0.43 -1.56 0.00 0.00 -0.55 0.00 0.00 66.41 63.87 3bsm h THR 318 Cb 1.21 2.03 0.00 0.00 -1.73 0.00 0.00 68.15 69.66 3bsm h THR 318 CO 0.30 0.33 0.00 -0.90 -0.25 0.00 0.00 175.52 175.00 3bsm n ASP 319 N -3.35 0.00 -4.22 5.36 5.75 -1.26 -4.30 116.55 114.53 3bsm n ASP 319 Ca 0.01 -1.12 -0.35 0.00 -0.01 0.00 0.00 54.79 53.32 3bsm n ASP 319 Cb 0.55 0.00 -0.14 0.00 -1.03 0.00 0.00 41.12 40.51 3bsm n ASP 319 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 3bsm s LEU 320 N -1.27 3.70 1.00 -2.12 1.02 -1.16 -4.67 118.68 115.19 3bsm s LEU 320 Ca 0.08 -1.03 -0.11 0.00 0.02 0.00 0.00 54.13 53.09 3bsm s LEU 320 Cb 0.04 -1.74 0.19 0.00 0.02 0.00 0.00 46.19 44.70 3bsm s LEU 320 CO 0.06 -0.21 1.10 -0.94 0.02 0.00 0.00 176.35 176.38 3bsm s SER 321 N 1.34 2.24 0.67 2.29 1.04 -1.26 -4.70 113.70 115.31 3bsm s SER 321 Ca -0.02 1.95 0.39 0.00 0.48 0.00 0.00 55.95 58.75 3bsm s SER 321 Cb -0.18 -2.48 2.13 0.00 0.10 0.00 0.00 66.02 65.59 3bsm s SER 321 CO -0.01 -3.49 2.20 -0.65 0.98 0.00 0.00 173.24 172.27 3bsm h PRO 322 N -2.13 0.00 0.23 4.02 0.11 -1.92 -0.15 132.00 132.16 3bsm h PRO 322 Ca -0.50 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.60 3bsm h PRO 322 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 3bsm h PRO 322 CO 0.45 0.00 -0.11 0.28 -0.21 0.00 0.00 178.00 178.41 3bsm h VAL 323 N 0.00 0.83 -0.73 3.15 2.07 -1.92 0.13 116.25 119.78 3bsm h VAL 323 Ca 0.00 -0.42 0.01 0.00 0.82 0.00 0.00 66.70 67.10 3bsm h VAL 323 Cb 0.25 1.08 -0.04 0.00 -1.52 0.00 0.00 31.29 31.07 3bsm h VAL 323 CO -0.00 0.09 0.48 0.00 0.02 0.00 0.00 177.57 178.17 3bsm h LEU 325 N 0.99 1.05 -0.28 0.00 5.85 -1.11 0.32 115.31 122.13 3bsm h LEU 325 Ca 0.27 -0.07 -0.04 0.00 0.84 0.00 0.00 57.88 58.88 3bsm h LEU 325 Cb -0.11 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 40.64 3bsm h LEU 325 CO -0.06 0.81 0.03 1.23 -0.34 0.00 0.00 178.44 180.12 3bsm h GLY 326 N 1.19 0.50 1.37 3.75 0.00 -0.37 -0.51 103.07 109.01 3bsm h GLY 326 Ca 0.31 -0.35 -0.05 0.00 0.00 0.00 0.00 47.33 47.24 3bsm h GLY 326 CO -0.06 0.32 0.11 0.00 0.00 0.00 0.00 176.54 176.92 3bsm h ALA 327 N 0.85 1.23 -0.64 3.60 0.00 -1.01 -2.17 119.26 121.12 3bsm h ALA 327 Ca 0.08 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.73 3bsm h ALA 327 Cb 0.37 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 3bsm h ALA 327 CO 0.01 0.53 0.18 0.00 0.00 0.00 0.00 179.25 179.97 3bsm h ALA 328 N 1.36 0.85 -0.63 0.00 0.00 -0.00 -0.97 119.26 119.87 3bsm h ALA 328 Ca 0.17 -0.22 -0.08 0.00 0.00 0.00 0.00 54.91 54.78 3bsm h ALA 328 Cb 0.30 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 3bsm h ALA 328 CO 0.00 0.54 0.08 0.82 0.00 0.00 0.00 179.25 180.68 3bsm h ILE 329 N 0.94 1.26 -0.16 0.00 2.04 -0.70 0.21 117.51 121.09 3bsm h ILE 329 Ca 0.21 -1.05 -0.01 0.00 1.00 0.00 0.00 64.86 65.01 3bsm h ILE 329 Cb 0.32 0.69 -0.01 0.00 -0.74 0.00 0.00 36.82 37.09 3bsm h ILE 329 CO -0.00 0.39 0.06 0.45 0.00 0.00 0.00 178.15 179.04 3bsm h HIS 330 N 0.98 0.25 -0.30 1.37 3.86 -1.11 -0.76 115.15 119.44 3bsm h HIS 330 Ca 0.19 -0.02 0.04 0.00 -1.16 0.00 0.00 60.37 59.41 3bsm h HIS 330 Cb 0.46 -0.07 -0.04 0.00 1.06 0.00 0.00 27.41 28.82 3bsm h HIS 330 CO 0.03 0.34 0.09 0.35 0.86 0.00 0.00 177.93 179.61 3bsm h PHE 331 N 0.09 0.16 -0.07 2.45 3.57 -0.86 -1.87 116.94 120.42 3bsm h PHE 331 Ca 0.05 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.56 3bsm h PHE 331 Cb 0.20 -0.03 -0.00 0.00 2.79 0.00 0.00 35.95 38.91 3bsm h PHE 331 CO -0.01 0.06 -0.00 -0.44 -2.23 0.00 0.00 178.31 175.70 3bsm h ASP 332 N 0.22 0.09 0.22 0.41 3.32 -0.41 0.94 116.42 121.20 3bsm h ASP 332 Ca 0.14 -0.01 -0.15 0.00 0.02 0.00 0.00 57.03 57.03 3bsm h ASP 332 Cb 0.12 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.64 3bsm h ASP 332 CO -0.15 0.11 -0.58 0.74 -1.72 0.00 0.00 179.24 177.63 3bsm h THR 333 N 0.10 1.36 0.00 0.35 2.02 -0.32 -3.36 112.91 113.05 3bsm h THR 333 Ca 0.03 -1.90 -0.24 0.00 0.77 0.00 0.00 66.41 65.07 3bsm h THR 333 Cb 0.07 1.91 -0.04 0.00 -1.74 0.00 0.00 68.15 68.36 3bsm h THR 333 CO 0.00 0.57 -1.31 1.87 0.37 0.00 0.00 175.52 177.02 3bsm n TRP 334 N -3.91 0.96 -1.69 3.16 -0.00 -0.90 -0.41 117.44 114.64 3bsm n TRP 334 Ca -0.03 0.41 -0.60 0.00 -0.00 0.00 0.00 57.50 57.29 3bsm n TRP 334 Cb 0.61 -1.09 -0.08 0.00 -0.00 0.00 0.00 31.31 30.76 3bsm n TRP 334 CO 0.00 0.00 0.00 1.55 -0.00 0.00 0.00 177.69 179.24 3bsm n VAL 335 N -4.43 0.17 -0.26 5.87 3.14 0.27 -4.24 118.33 118.85 3bsm n VAL 335 Ca -0.33 -0.03 -0.06 0.00 -2.96 0.00 0.00 64.34 60.96 3bsm n VAL 335 Cb 0.68 -0.91 0.05 0.00 -1.06 0.00 0.00 33.84 32.60 3bsm n VAL 335 CO 0.00 0.00 0.00 1.55 -6.46 0.00 0.00 176.83 171.92 3bsm h PRO 336 N 6.03 1.03 -2.33 1.45 0.13 -1.92 -3.19 132.00 133.20 3bsm h PRO 336 Ca -0.46 -0.15 -0.73 0.00 -0.87 0.00 0.00 66.00 63.79 3bsm h PRO 336 Cb 1.34 -0.19 -0.19 0.00 0.13 0.00 0.00 31.00 32.09 3bsm h PRO 336 CO 0.92 0.80 1.51 0.27 -0.23 0.00 0.00 178.00 181.28 3bsm n ASN 337 N -4.43 7.53 -4.74 1.44 6.94 -1.26 -4.97 115.26 115.77 3bsm n ASN 337 Ca 0.06 -3.40 -0.41 0.00 -0.02 0.00 0.00 54.58 50.81 3bsm n ASN 337 Cb 0.13 -1.25 -0.04 0.00 -2.36 0.00 0.00 39.78 36.26 3bsm n ASN 337 CO 0.00 0.00 0.00 0.12 -1.03 0.00 0.00 177.26 176.35 3bsm s PHE 338 N -2.58 3.61 -0.02 -2.53 5.36 -1.21 -1.19 117.98 119.42 3bsm s PHE 338 Ca 0.50 1.65 -0.03 0.00 -0.96 0.00 0.00 56.93 58.09 3bsm s PHE 338 Cb 0.25 -3.26 -0.01 0.00 -0.34 0.00 0.00 43.02 39.65 3bsm s PHE 338 CO -0.16 -0.54 -0.06 0.41 -1.46 0.00 0.00 175.22 173.42 3bsm n GLY 339 N 1.76 -0.27 3.54 13.12 0.00 0.00 -4.66 105.19 118.68 3bsm n GLY 339 Ca 0.01 -0.05 -0.08 0.00 0.00 0.00 0.00 46.02 45.91 3bsm n GLY 339 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3bsm s ILE 340 N -1.40 0.00 -0.10 -0.61 2.07 -0.62 -4.93 121.20 115.61 3bsm s ILE 340 Ca -0.05 -0.11 0.03 0.00 -1.41 0.00 0.00 60.65 59.12 3bsm s ILE 340 Cb 0.01 -1.17 0.00 0.00 0.13 0.00 0.00 42.46 41.43 3bsm s ILE 340 CO 0.07 0.00 -0.22 -1.58 -1.91 0.00 0.00 174.94 171.30 3bsm s GLN 341 N -3.16 2.83 0.26 3.50 2.00 -0.58 -3.51 119.66 121.00 3bsm s GLN 341 Ca 0.06 -0.80 -0.30 0.00 -2.00 0.00 0.00 55.36 52.33 3bsm s GLN 341 Cb -0.01 -2.18 -0.09 0.00 0.80 0.00 0.00 33.01 31.53 3bsm s GLN 341 CO -0.07 0.12 1.07 -2.00 -0.50 0.00 0.00 175.29 173.91 3bsm s GLU 342 N 0.47 4.67 -0.21 1.67 2.12 -1.17 -2.32 118.70 123.93 3bsm s GLU 342 Ca -0.16 1.74 -0.02 0.00 0.36 0.00 0.00 54.97 56.89 3bsm s GLU 342 Cb -0.17 -3.22 0.06 0.00 0.26 0.00 0.00 34.13 31.06 3bsm s GLU 342 CO 0.06 0.25 0.01 -1.58 -0.54 0.00 0.00 175.26 173.46 3bsm s HIS 343 N -1.05 1.48 -0.45 5.30 5.65 -1.03 -4.40 115.29 120.79 3bsm s HIS 343 Ca 0.44 -1.17 0.04 0.00 0.25 0.00 0.00 55.06 54.62 3bsm s HIS 343 Cb -0.31 -1.22 0.12 0.00 -1.18 0.00 0.00 32.58 29.99 3bsm s HIS 343 CO 0.39 -0.67 0.19 -1.64 -0.65 0.00 0.00 174.74 172.35 3bsm s MET 344 N 1.70 1.72 0.17 2.88 -1.94 -1.21 -4.45 119.30 118.18 3bsm s MET 344 Ca -0.02 -2.29 -0.32 0.00 -1.71 0.00 0.00 55.69 51.35 3bsm s MET 344 Cb -0.18 -3.16 -0.17 0.00 2.01 0.00 0.00 34.83 33.33 3bsm s MET 344 CO -0.08 -1.06 0.92 -2.30 -0.01 0.00 0.00 175.02 172.50 3bsm n PRO 345 N 3.56 0.61 -1.96 2.03 -0.02 -1.26 -4.36 135.00 133.60 3bsm n PRO 345 Ca 0.05 0.22 -0.29 0.00 -2.02 0.00 0.00 63.50 61.45 3bsm n PRO 345 Cb 0.36 -1.54 0.06 0.00 -0.02 0.00 0.00 33.50 32.36 3bsm n PRO 345 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 3bsm s HIS 346 N -0.53 3.14 0.57 6.00 3.76 -1.26 -4.94 115.29 122.02 3bsm s HIS 346 Ca 0.71 0.85 -0.16 0.00 -0.15 0.00 0.00 55.06 56.31 3bsm s HIS 346 Cb -0.93 -3.22 -0.05 0.00 1.11 0.00 0.00 32.58 29.48 3bsm s HIS 346 CO 0.55 -1.41 1.03 0.95 -0.85 0.00 0.00 174.74 175.02 3bsm s THR 347 N -3.41 4.11 0.45 1.30 -4.23 -1.26 -4.86 115.64 107.74 3bsm s THR 347 Ca 0.59 0.99 0.16 0.00 -1.18 0.00 0.00 61.69 62.25 3bsm s THR 347 Cb -0.11 -3.52 0.34 0.00 1.34 0.00 0.00 72.50 70.54 3bsm s THR 347 CO 0.50 -0.60 1.99 0.44 -0.54 0.00 0.00 174.62 176.40 3bsm h ASP 348 N 0.57 0.30 -0.45 3.99 3.45 -1.97 -0.07 116.42 122.24 3bsm h ASP 348 Ca -0.47 0.01 -0.12 0.00 0.43 0.00 0.00 57.03 56.88 3bsm h ASP 348 Cb 1.21 -0.05 -0.02 0.00 -0.56 0.00 0.00 39.33 39.91 3bsm h ASP 348 CO 0.59 0.18 -0.17 -0.33 -1.57 0.00 0.00 179.24 177.94 3bsm h GLU 349 N 0.33 0.95 -0.05 3.56 3.07 -1.92 -0.78 114.58 119.73 3bsm h GLU 349 Ca 0.26 -0.37 -0.00 0.00 -0.50 0.00 0.00 59.36 58.75 3bsm h GLU 349 Cb 0.60 -0.05 -0.00 0.00 -0.84 0.00 0.00 28.75 28.46 3bsm h GLU 349 CO -0.06 1.04 0.02 1.15 -1.40 0.00 0.00 179.01 179.76 3bsm h THR 350 N 0.83 1.12 -0.06 1.13 2.02 -0.98 -1.44 112.91 115.54 3bsm h THR 350 Ca 0.12 -0.34 -0.02 0.00 0.77 0.00 0.00 66.41 66.94 3bsm h THR 350 Cb 0.73 1.25 -0.00 0.00 -1.74 0.00 0.00 68.15 68.39 3bsm h THR 350 CO 0.06 0.10 -0.04 0.44 0.37 0.00 0.00 175.52 176.45 3bsm h ASP 351 N -0.05 0.07 -0.08 4.18 3.32 -1.11 -1.24 116.42 121.51 3bsm h ASP 351 Ca 0.02 -0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.03 3bsm h ASP 351 Cb 0.14 -0.02 -0.00 0.00 0.22 0.00 0.00 39.33 39.67 3bsm h ASP 351 CO -0.00 0.12 -0.06 0.00 -1.72 0.00 0.00 179.24 177.59 3bsm h ALA 352 N 1.89 0.11 0.00 3.45 0.00 -0.75 -3.04 119.26 120.92 3bsm h ALA 352 Ca 0.02 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.63 3bsm h ALA 352 Cb 0.12 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 3bsm h ALA 352 CO 0.01 -0.10 -0.15 0.28 0.00 0.00 0.00 179.25 179.29 3bsm h VAL 353 N -0.22 1.07 -2.33 0.00 2.07 -0.83 -3.30 116.25 112.71 3bsm h VAL 353 Ca 0.02 -0.51 -0.62 0.00 0.82 0.00 0.00 66.70 66.41 3bsm h VAL 353 Cb 0.54 1.28 -0.41 0.00 -1.52 0.00 0.00 31.29 31.18 3bsm h VAL 353 CO 0.02 0.14 -0.50 0.49 0.02 0.00 0.00 177.57 177.74 3bsm n PHE 354 N -4.31 3.56 -1.66 1.57 3.72 -0.51 -0.55 117.46 119.28 3bsm n PHE 354 Ca -0.03 -4.08 -0.40 0.00 -0.05 0.00 0.00 57.45 52.90 3bsm n PHE 354 Cb 0.22 -0.62 0.03 0.00 -0.94 0.00 0.00 39.48 38.17 3bsm n PHE 354 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 3bsm n PRO 355 N 0.99 1.46 -3.56 -1.08 -0.04 -1.18 -4.69 135.00 126.90 3bsm n PRO 355 Ca 0.29 0.53 -0.11 0.00 -0.04 0.00 0.00 63.50 64.17 3bsm n PRO 355 Cb 0.40 -2.25 -0.04 0.00 -0.04 0.00 0.00 33.50 31.57 3bsm n PRO 355 CO 0.00 0.00 0.00 -3.38 -0.04 0.00 0.00 175.50 172.08 3bsm s HIS 356 N -1.31 -0.32 -1.64 0.54 -3.43 -1.26 -1.32 115.29 106.55 3bsm s HIS 356 Ca 0.67 0.04 0.17 0.00 -0.80 0.00 0.00 55.06 55.14 3bsm s HIS 356 Cb -0.49 0.36 0.41 0.00 -1.43 0.00 0.00 32.58 31.43 3bsm s HIS 356 CO 0.54 -0.75 1.32 -0.40 -2.00 0.00 0.00 174.74 173.45 3bsm n ASP 357 N -0.28 3.24 -4.80 7.38 3.85 -0.73 -4.95 116.55 120.26 3bsm n ASP 357 Ca -0.16 -1.94 -0.36 0.00 -0.71 0.00 0.00 54.79 51.62 3bsm n ASP 357 Cb 0.64 -0.28 -0.06 0.00 -1.35 0.00 0.00 41.12 40.07 3bsm n ASP 357 CO 0.00 0.00 0.00 -0.72 -1.01 0.00 0.00 177.20 175.47 3bsm s TYR 358 N -1.11 3.62 0.08 2.11 -0.85 -1.26 -3.95 117.35 115.98 3bsm s TYR 358 Ca 0.33 1.61 0.05 0.00 -0.52 0.00 0.00 57.07 58.54 3bsm s TYR 358 Cb 0.18 -2.80 -0.03 0.00 0.38 0.00 0.00 41.96 39.69 3bsm s TYR 358 CO 0.24 0.20 -0.13 -0.98 -1.52 0.00 0.00 175.55 173.37 3bsm s ARG 359 N -2.21 0.81 -0.23 -3.49 1.70 -0.85 -4.95 118.95 109.73 3bsm s ARG 359 Ca 0.50 -1.00 -0.08 0.00 -0.47 0.00 0.00 55.73 54.68 3bsm s ARG 359 Cb -0.16 -0.73 -0.04 0.00 -0.57 0.00 0.00 34.95 33.45 3bsm s ARG 359 CO 0.21 0.15 0.10 0.12 -1.08 0.00 0.00 175.30 174.80 3bsm s PHE 360 N -1.56 3.18 -0.07 5.89 5.36 -1.26 -0.22 117.98 129.30 3bsm s PHE 360 Ca -0.01 -0.10 -0.03 0.00 -0.96 0.00 0.00 56.93 55.84 3bsm s PHE 360 Cb -0.08 -2.22 0.04 0.00 -0.34 0.00 0.00 43.02 40.42 3bsm s PHE 360 CO 0.02 -0.12 0.14 -1.21 -1.46 0.00 0.00 175.22 172.59 3bsm s GLU 361 N 1.21 0.05 -1.35 10.12 2.02 0.98 -4.93 118.70 126.79 3bsm s GLU 361 Ca 0.05 0.44 -0.04 0.00 0.02 0.00 0.00 54.97 55.44 3bsm s GLU 361 Cb -0.14 -0.25 -0.00 0.00 0.10 0.00 0.00 34.13 33.84 3bsm s GLU 361 CO 0.04 -0.23 0.50 -3.47 0.02 0.00 0.00 175.26 172.12 3bsm n ASP 362 N 4.73 -1.21 0.00 -0.19 2.03 -1.26 -1.50 116.55 119.15 3bsm n ASP 362 Ca -0.16 -1.00 0.00 0.00 0.52 0.00 0.00 54.79 54.15 3bsm n ASP 362 Cb 0.51 -3.16 0.00 0.00 -0.72 0.00 0.00 41.12 37.75 3bsm n ASP 362 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3bsm n GLY 363 N -1.91 1.66 3.39 0.27 0.00 -1.24 -4.66 105.19 102.70 3bsm n GLY 363 Ca -0.27 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.54 3bsm n GLY 363 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3bsm s HIS 364 N -3.27 1.93 0.17 1.61 3.76 -0.56 -2.58 115.29 116.35 3bsm s HIS 364 Ca 0.00 -0.47 0.02 0.00 -0.15 0.00 0.00 55.06 54.46 3bsm s HIS 364 Cb 0.00 -0.88 -0.04 0.00 1.11 0.00 0.00 32.58 32.77 3bsm s HIS 364 CO 0.00 0.48 0.31 -0.06 -0.85 0.00 0.00 174.74 174.62 3bsm s PHE 365 N -2.68 3.48 -0.09 1.40 2.99 -0.61 -0.01 117.98 122.47 3bsm s PHE 365 Ca 0.24 0.12 0.02 0.00 0.00 0.00 0.00 56.93 57.32 3bsm s PHE 365 Cb -0.03 -1.68 0.01 0.00 0.00 0.00 0.00 43.02 41.33 3bsm s PHE 365 CO 0.10 0.49 -0.14 -0.51 -0.00 0.00 0.00 175.22 175.16 3bsm s LEU 366 N -3.34 1.66 0.44 -0.37 2.01 0.70 -1.55 118.68 118.23 3bsm s LEU 366 Ca 0.35 -0.36 -0.24 0.00 0.01 0.00 0.00 54.13 53.89 3bsm s LEU 366 Cb -0.11 -0.96 -0.08 0.00 0.01 0.00 0.00 46.19 45.06 3bsm s LEU 366 CO 0.29 0.02 1.20 0.00 1.01 0.00 0.00 176.35 178.87 3bsm s ALA 367 N 0.83 3.05 0.90 4.21 0.00 -1.26 -2.00 121.76 127.50 3bsm s ALA 367 Ca -0.11 1.01 -0.12 0.00 0.00 0.00 0.00 51.96 52.74 3bsm s ALA 367 Cb -0.15 -3.41 0.13 0.00 0.00 0.00 0.00 23.12 19.69 3bsm s ALA 367 CO 0.01 -0.68 1.09 0.20 0.00 0.00 0.00 175.76 176.38 3bsm s GLY 368 N -1.19 1.61 0.00 0.00 0.00 -1.25 -4.85 107.32 101.64 3bsm s GLY 368 Ca 0.61 -0.09 0.07 0.00 0.00 0.00 0.00 44.72 45.31 3bsm s GLY 368 CO 0.38 0.41 0.96 1.18 0.00 0.00 0.00 173.10 176.04 3bsm n GLU 369 N -3.90 1.57 -2.84 2.90 -0.58 -1.26 -4.86 120.64 111.67 3bsm n GLU 369 Ca 0.07 -1.43 -0.37 0.00 -0.42 0.00 0.00 57.16 55.01 3bsm n GLU 369 Cb 0.55 -1.16 -0.06 0.00 -0.57 0.00 0.00 31.44 30.20 3bsm n GLU 369 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 3bsm s SER 370 N -0.81 7.34 0.38 1.62 0.01 -1.26 -4.34 113.70 116.63 3bsm s SER 370 Ca 0.12 1.77 -0.26 0.00 1.31 0.00 0.00 55.95 58.89 3bsm s SER 370 Cb 0.07 -2.55 -0.11 0.00 0.21 0.00 0.00 66.02 63.63 3bsm s SER 370 CO 0.10 -0.01 1.11 -2.65 0.41 0.00 0.00 173.24 172.20 3bsm n PRO 371 N 0.76 1.60 0.00 12.44 -0.02 -1.26 -3.87 135.00 144.65 3bsm n PRO 371 Ca 0.00 0.57 0.00 0.00 -2.02 0.00 0.00 63.50 62.05 3bsm n PRO 371 Cb 0.50 -2.12 0.00 0.00 -0.02 0.00 0.00 33.50 31.86 3bsm n PRO 371 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3bsm n GLY 372 N 1.04 -1.80 0.21 -1.23 0.00 -0.82 -4.13 105.19 98.46 3bsm n GLY 372 Ca 0.08 -1.78 0.14 0.00 0.00 0.00 0.00 46.02 44.47 3bsm n GLY 372 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 3bsm n HIS 373 N 0.00 0.01 -1.00 1.61 1.44 -1.26 -0.86 115.22 115.16 3bsm n HIS 373 Ca 0.00 -0.01 0.00 0.00 -2.01 0.00 0.00 57.72 55.70 3bsm n HIS 373 Cb 0.00 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.11 3bsm n HIS 373 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 3bsm n GLY 374 N 1.06 0.48 3.32 -1.39 0.00 -1.26 -4.53 105.19 102.87 3bsm n GLY 374 Ca 0.21 -0.17 -0.28 0.00 0.00 0.00 0.00 46.02 45.78 3bsm n GLY 374 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3bsm s VAL 375 N -2.00 1.97 0.26 1.61 1.01 -1.26 -1.77 120.40 120.22 3bsm s VAL 375 Ca 0.00 -1.41 0.03 0.00 0.00 0.00 0.00 61.98 60.60 3bsm s VAL 375 Cb 0.00 -1.71 -0.04 0.00 0.00 0.00 0.00 36.38 34.63 3bsm s VAL 375 CO 0.00 0.23 0.19 -0.62 0.00 0.00 0.00 175.10 174.90 3bsm s ASP 376 N -1.43 0.83 -0.09 3.32 -1.08 -0.43 -4.86 116.67 112.93 3bsm s ASP 376 Ca 0.10 -1.55 0.02 0.00 -0.52 0.00 0.00 52.55 50.60 3bsm s ASP 376 Cb -0.10 0.45 0.02 0.00 -1.46 0.00 0.00 42.92 41.83 3bsm s ASP 376 CO 0.03 -0.93 -0.12 -0.51 0.52 0.00 0.00 175.17 174.16 3bsm s ILE 377 N -3.85 1.23 -0.79 4.11 2.07 -1.26 -3.16 121.20 119.55 3bsm s ILE 377 Ca 0.40 -0.49 -0.24 0.00 -1.41 0.00 0.00 60.65 58.91 3bsm s ILE 377 Cb 0.05 -1.15 0.06 0.00 0.13 0.00 0.00 42.46 41.55 3bsm s ILE 377 CO 0.19 0.39 1.20 -0.62 -1.91 0.00 0.00 174.94 174.18 3bsm s ASP 378 N 0.98 6.28 0.31 4.50 -1.08 0.28 -4.89 116.67 123.07 3bsm s ASP 378 Ca -0.08 -1.00 0.01 0.00 -0.52 0.00 0.00 52.55 50.96 3bsm s ASP 378 Cb -0.15 -2.50 0.53 0.00 -1.46 0.00 0.00 42.92 39.35 3bsm s ASP 378 CO -0.00 -1.56 1.93 -0.33 0.52 0.00 0.00 175.17 175.72 3bsm h GLU 379 N 9.70 0.99 0.39 4.34 5.08 -1.98 0.49 114.58 133.59 3bsm h GLU 379 Ca -0.14 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.14 3bsm h GLU 379 Cb 1.05 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 30.08 3bsm h GLU 379 CO 1.26 0.65 -0.19 1.49 -1.00 0.00 0.00 179.01 181.23 3bsm h GLU 380 N 1.02 -0.50 -0.80 2.33 4.81 -1.99 -1.21 114.58 118.24 3bsm h GLU 380 Ca 0.36 0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.63 3bsm h GLU 380 Cb 0.14 0.11 -0.04 0.00 0.63 0.00 0.00 28.75 29.60 3bsm h GLU 380 CO -0.13 -0.25 0.49 1.25 -0.73 0.00 0.00 179.01 179.64 3bsm h LEU 381 N -0.67 0.95 -1.33 1.64 5.85 -1.93 -1.85 115.31 117.98 3bsm h LEU 381 Ca -0.05 -0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.61 3bsm h LEU 381 Cb 0.48 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.24 3bsm h LEU 381 CO 0.09 0.73 0.30 0.00 -0.34 0.00 0.00 178.44 179.21 3bsm h ALA 382 N 1.44 1.49 0.00 1.25 0.00 -0.72 -1.50 119.26 121.23 3bsm h ALA 382 Ca 0.29 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 3bsm h ALA 382 Cb -0.06 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.50 3bsm h ALA 382 CO -0.06 0.42 -0.09 0.00 0.00 0.00 0.00 179.25 179.53 3bsm h ALA 383 N 1.57 1.32 0.00 0.00 0.00 -0.34 -1.96 119.26 119.85 3bsm h ALA 383 Ca 0.20 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3bsm h ALA 383 Cb 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3bsm h ALA 383 CO -0.03 0.11 0.00 1.63 0.00 0.00 0.00 179.25 180.96 3bsm n LYS 384 N -3.66 0.64 -3.66 0.00 5.02 -0.56 -4.18 118.16 111.76 3bsm n LYS 384 Ca -0.02 0.02 -0.28 0.00 -2.02 0.00 0.00 58.31 56.01 3bsm n LYS 384 Cb 0.20 -1.50 -0.11 0.00 -0.02 0.00 0.00 35.03 33.60 3bsm n LYS 384 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 3bsm s TYR 385 N -2.25 2.28 0.66 2.13 2.02 -0.74 -5.05 117.35 116.42 3bsm s TYR 385 Ca 0.34 -2.76 -0.16 0.00 -0.37 0.00 0.00 57.07 54.11 3bsm s TYR 385 Cb 0.18 -1.84 0.00 0.00 -0.40 0.00 0.00 41.96 39.90 3bsm s TYR 385 CO 0.35 -0.70 1.16 -1.25 -1.57 0.00 0.00 175.55 173.53 3bsm s PRO 386 N -0.51 2.67 0.53 -1.71 0.04 -1.26 0.03 135.00 134.79 3bsm s PRO 386 Ca 0.27 1.59 -0.21 0.00 0.04 0.00 0.00 61.00 62.69 3bsm s PRO 386 Cb -0.05 -1.92 -0.07 0.00 0.04 0.00 0.00 34.50 32.50 3bsm s PRO 386 CO -0.15 -1.39 0.96 0.98 0.04 0.00 0.00 177.00 177.45 3bsm n TYR 387 N -2.28 0.90 -0.59 0.56 9.36 -1.26 -4.15 117.16 119.71 3bsm n TYR 387 Ca 0.12 0.48 0.00 0.00 3.32 0.00 0.00 57.90 61.82 3bsm n TYR 387 Cb 0.51 -2.17 0.00 0.00 -0.63 0.00 0.00 39.34 37.05 3bsm n TYR 387 CO 0.00 0.00 0.00 0.39 0.22 0.00 0.00 176.86 177.47