#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 2.58 -0.44 1.47 1.02 -1.26 -2.68 119.74 120.42 3bsm s LYS 4 Ca 0.00 1.42 -0.26 0.00 0.02 0.00 0.00 55.97 57.15 3bsm s LYS 4 Cb 0.00 -1.92 0.02 0.00 -0.52 0.00 0.00 37.83 35.41 3bsm s LYS 4 CO 0.00 -1.43 0.96 0.42 -0.92 0.00 0.00 175.35 174.38 3bsm s ILE 5 N -2.37 4.46 -0.03 2.17 1.01 0.19 -0.60 121.20 126.02 3bsm s ILE 5 Ca 0.67 0.93 0.07 0.00 0.00 0.00 0.00 60.65 62.32 3bsm s ILE 5 Cb -0.21 -4.44 -0.24 0.00 0.01 0.00 0.00 42.46 37.58 3bsm s ILE 5 CO 0.44 -0.79 0.71 0.08 0.00 0.00 0.00 174.94 175.38 3bsm h ARG 6 N 8.96 0.08 -2.69 2.79 -0.00 -1.35 0.16 114.38 122.32 3bsm h ARG 6 Ca -0.24 -0.13 -0.10 0.00 -0.00 0.00 0.00 59.98 59.51 3bsm h ARG 6 Cb 1.07 0.05 -0.20 0.00 -0.00 0.00 0.00 29.97 30.89 3bsm h ARG 6 CO 1.03 0.75 -0.13 0.34 -0.00 0.00 0.00 179.97 181.97 3bsm s ASP 7 N -6.44 -0.35 -0.19 0.08 2.15 -0.93 -4.88 116.67 106.12 3bsm s ASP 7 Ca -0.07 0.33 -0.15 0.00 0.43 0.00 0.00 52.55 53.09 3bsm s ASP 7 Cb 0.08 0.42 0.05 0.00 -0.30 0.00 0.00 42.92 43.17 3bsm s ASP 7 CO 0.82 -0.48 0.48 0.00 -0.17 0.00 0.00 175.17 175.82 3bsm s ALA 8 N -1.18 -1.21 0.16 3.66 0.00 -1.26 0.23 121.76 122.15 3bsm s ALA 8 Ca -0.12 1.46 -0.21 0.00 0.00 0.00 0.00 51.96 53.09 3bsm s ALA 8 Cb -0.03 -0.86 0.06 0.00 0.00 0.00 0.00 23.12 22.29 3bsm s ALA 8 CO 0.06 -0.24 0.56 1.52 0.00 0.00 0.00 175.76 177.65 3bsm s TYR 9 N 0.57 -0.43 0.29 0.00 1.13 -0.36 -4.96 117.35 113.58 3bsm s TYR 9 Ca -0.03 0.18 0.00 0.00 -1.41 0.00 0.00 57.07 55.82 3bsm s TYR 9 Cb -0.04 0.49 -0.04 0.00 -1.10 0.00 0.00 41.96 41.27 3bsm s TYR 9 CO -0.03 -0.83 0.48 0.95 -2.51 0.00 0.00 175.55 173.61 3bsm s THR 10 N -3.77 5.14 -0.10 -3.49 -4.23 -1.26 -0.64 115.64 107.29 3bsm s THR 10 Ca 0.02 -0.44 -0.02 0.00 -1.18 0.00 0.00 61.69 60.07 3bsm s THR 10 Cb -0.01 -3.81 0.04 0.00 1.34 0.00 0.00 72.50 70.06 3bsm s THR 10 CO -0.12 -0.39 0.03 -0.63 -0.54 0.00 0.00 174.62 172.97 3bsm s ILE 11 N -2.12 0.26 -0.25 2.99 1.01 0.17 -4.95 121.20 118.31 3bsm s ILE 11 Ca 0.39 0.02 -0.06 0.00 0.00 0.00 0.00 60.65 61.00 3bsm s ILE 11 Cb -0.10 -0.56 -0.01 0.00 0.01 0.00 0.00 42.46 41.80 3bsm s ILE 11 CO 0.32 0.10 0.04 0.54 0.00 0.00 0.00 174.94 175.94 3bsm s VAL 12 N 2.01 3.89 0.20 2.92 0.11 -1.26 -0.91 120.40 127.36 3bsm s VAL 12 Ca 0.04 -0.45 0.04 0.00 -2.93 0.00 0.00 61.98 58.68 3bsm s VAL 12 Cb -0.14 -2.87 -0.05 0.00 -1.53 0.00 0.00 36.38 31.80 3bsm s VAL 12 CO -0.06 0.28 -0.05 0.28 -3.33 0.00 0.00 175.10 172.22 3bsm s THR 13 N 1.53 1.14 -0.35 5.04 -1.32 -0.77 -4.27 115.64 116.64 3bsm s THR 13 Ca 0.05 -2.06 0.15 0.00 -1.21 0.00 0.00 61.69 58.63 3bsm s THR 13 Cb -0.15 -2.14 0.43 0.00 -1.51 0.00 0.00 72.50 69.12 3bsm s THR 13 CO 0.01 -0.50 0.91 0.00 -2.21 0.00 0.00 174.62 172.83 3bsm n PRO 15 N -0.02 1.51 0.00 0.00 -0.04 -1.26 -3.70 135.00 131.50 3bsm n PRO 15 Ca 0.15 -0.95 0.00 0.00 -0.04 0.00 0.00 63.50 62.67 3bsm n PRO 15 Cb 0.76 -2.07 0.00 0.00 -0.04 0.00 0.00 33.50 32.15 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 3.20 3.89 3.57 0.55 0.00 -1.26 -3.05 105.19 112.09 3bsm n GLY 16 Ca 0.32 -0.94 -0.09 0.00 0.00 0.00 0.00 46.02 45.31 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 1.44 0.28 1.61 1.70 -1.24 -5.13 118.95 117.60 3bsm s ARG 17 Ca 0.00 -0.85 -0.29 0.00 -0.47 0.00 0.00 55.73 54.11 3bsm s ARG 17 Cb 0.00 0.54 -0.10 0.00 -0.57 0.00 0.00 34.95 34.83 3bsm s ARG 17 CO 0.00 -0.62 1.24 -0.80 -1.08 0.00 0.00 175.30 174.04 3bsm s ASN 18 N -2.87 6.96 -0.03 -2.89 0.01 -1.26 -4.06 114.94 110.80 3bsm s ASN 18 Ca 0.09 2.49 -0.01 0.00 -0.71 0.00 0.00 52.86 54.71 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 -0.02 -0.41 0.06 -0.36 -1.51 0.00 0.00 177.10 174.86 3bsm s PHE 19 N -0.81 -0.04 -0.13 2.20 0.08 -0.11 -4.97 117.98 114.20 3bsm s PHE 19 Ca 0.50 0.21 0.00 0.00 0.12 0.00 0.00 56.93 57.76 3bsm s PHE 19 Cb -0.36 -0.12 -0.01 0.00 -0.57 0.00 0.00 43.02 41.95 3bsm s PHE 19 CO 0.45 -0.09 -0.14 0.08 -0.10 0.00 0.00 175.22 175.43 3bsm s VAL 20 N 0.76 2.96 0.02 -0.44 1.01 -1.26 -1.86 120.40 121.59 3bsm s VAL 20 Ca -0.06 -0.69 0.06 0.00 0.00 0.00 0.00 61.98 61.29 3bsm s VAL 20 Cb -0.09 -2.24 -0.02 0.00 0.00 0.00 0.00 36.38 34.04 3bsm s VAL 20 CO -0.03 0.52 -0.17 -0.89 0.00 0.00 0.00 175.10 174.53 3bsm s THR 21 N 0.43 1.38 -0.12 3.92 2.01 -0.08 -0.82 115.64 122.36 3bsm s THR 21 Ca -0.10 -0.94 -0.01 0.00 0.31 0.00 0.00 61.69 60.94 3bsm s THR 21 Cb -0.16 -1.19 -0.03 0.00 0.01 0.00 0.00 72.50 71.14 3bsm s THR 21 CO 0.05 0.23 -0.06 -0.22 -0.69 0.00 0.00 174.62 173.93 3bsm s LEU 22 N -0.82 3.14 -0.05 4.42 2.96 -0.47 0.46 118.68 128.31 3bsm s LEU 22 Ca 0.06 -0.12 0.06 0.00 -0.22 0.00 0.00 54.13 53.91 3bsm s LEU 22 Cb -0.08 -1.72 -0.01 0.00 0.50 0.00 0.00 46.19 44.88 3bsm s LEU 22 CO 0.01 0.24 -0.24 -0.75 -1.32 0.00 0.00 176.35 174.29 3bsm s LYS 23 N -0.08 2.36 -0.07 1.98 2.20 0.19 -1.30 119.74 125.03 3bsm s LYS 23 Ca 0.01 -0.85 0.03 0.00 -0.36 0.00 0.00 55.97 54.80 3bsm s LYS 23 Cb -0.13 -2.03 0.01 0.00 -1.51 0.00 0.00 37.83 34.16 3bsm s LYS 23 CO 0.03 0.37 -0.16 0.42 -0.36 0.00 0.00 175.35 175.65 3bsm s ILE 24 N -0.17 1.41 -0.09 5.43 1.01 0.16 -1.22 121.20 127.73 3bsm s ILE 24 Ca -0.02 -0.65 0.04 0.00 0.00 0.00 0.00 60.65 60.01 3bsm s ILE 24 Cb -0.13 -1.25 0.00 0.00 0.01 0.00 0.00 42.46 41.09 3bsm s ILE 24 CO 0.03 0.41 -0.22 -0.69 0.00 0.00 0.00 174.94 174.47 3bsm s VAL 25 N 0.45 1.94 0.53 2.92 1.01 0.13 -0.62 120.40 126.76 3bsm s VAL 25 Ca -0.13 -0.95 -0.04 0.00 0.00 0.00 0.00 61.98 60.86 3bsm s VAL 25 Cb -0.15 -1.68 -0.01 0.00 0.00 0.00 0.00 36.38 34.54 3bsm s VAL 25 CO 0.05 0.53 0.82 0.42 0.00 0.00 0.00 175.10 176.92 3bsm s THR 26 N 0.37 4.06 0.55 3.92 -4.23 0.99 -1.05 115.64 120.24 3bsm s THR 26 Ca -0.18 -0.06 0.22 0.00 -1.18 0.00 0.00 61.69 60.48 3bsm s THR 26 Cb -0.18 -3.57 0.31 0.00 1.34 0.00 0.00 72.50 70.40 3bsm s THR 26 CO 0.08 -0.53 2.19 1.05 -0.54 0.00 0.00 174.62 176.87 3bsm h GLU 27 N 0.06 0.00 0.00 3.99 9.09 -1.14 0.06 114.58 126.63 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 -4.89 113.62 109.68 3bsm n SER 28 Ca -0.03 -1.12 0.00 0.00 -0.26 0.00 0.00 58.87 57.46 3bsm n SER 28 Cb 0.10 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.05 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 0.74 2.86 3.68 5.00 0.00 0.01 -5.04 105.19 112.44 3bsm n GLY 29 Ca 0.17 -0.34 -0.41 0.00 0.00 0.00 0.00 46.02 45.43 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 2.47 -4.30 2.61 -1.04 -1.26 -4.55 114.28 108.22 3bsm n THR 30 Ca 0.00 -0.50 -0.16 0.00 -2.04 0.00 0.00 64.05 61.35 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 -1.20 1.45 0.04 -1.42 -3.43 -1.26 -0.01 115.29 109.47 3bsm s HIS 31 Ca 0.61 -1.11 -0.15 0.00 -0.80 0.00 0.00 55.06 53.60 3bsm s HIS 31 Cb -0.53 -0.84 0.02 0.00 -1.43 0.00 0.00 32.58 29.80 3bsm s HIS 31 CO 0.58 -0.28 0.33 0.20 -2.00 0.00 0.00 174.74 173.58 3bsm s GLY 32 N -3.27 -0.16 0.12 -1.38 0.00 0.21 -4.43 107.32 98.40 3bsm s GLY 32 Ca 0.33 0.10 0.05 0.00 0.00 0.00 0.00 44.72 45.20 3bsm s GLY 32 CO 0.11 -0.12 -0.11 -0.26 0.00 0.00 0.00 173.10 172.71 3bsm s ILE 33 N -2.47 1.14 -0.08 0.90 -4.36 -1.26 -0.67 121.20 114.41 3bsm s ILE 33 Ca -0.05 -1.78 -0.09 0.00 -0.26 0.00 0.00 60.65 58.46 3bsm s ILE 33 Cb -0.01 -1.55 0.02 0.00 1.25 0.00 0.00 42.46 42.17 3bsm s ILE 33 CO -0.03 -0.56 0.24 -0.83 0.24 0.00 0.00 174.94 174.00 3bsm s GLY 34 N -2.65 -0.16 0.22 6.27 0.00 -0.42 -3.28 107.32 107.30 3bsm s GLY 34 Ca 0.10 0.58 -0.30 0.00 0.00 0.00 0.00 44.72 45.10 3bsm s GLY 34 CO 0.01 0.47 1.16 -0.35 0.00 0.00 0.00 173.10 174.39 3bsm s ASP 35 N -0.14 7.15 -0.06 1.64 2.15 -1.26 -1.37 116.67 124.78 3bsm s ASP 35 Ca -0.03 2.25 0.11 0.00 0.43 0.00 0.00 52.55 55.31 3bsm s ASP 35 Cb -0.03 -2.61 0.20 0.00 -0.30 0.00 0.00 42.92 40.18 3bsm s ASP 35 CO 0.01 -0.29 1.09 0.00 -0.17 0.00 0.00 175.17 175.81 3bsm n ALA 36 N 2.01 2.30 -2.50 3.66 0.00 0.00 -3.61 120.51 122.37 3bsm n ALA 36 Ca 0.02 -1.92 -0.43 0.00 0.00 0.00 0.00 53.44 51.11 3bsm n ALA 36 Cb 0.45 -0.49 -0.02 0.00 0.00 0.00 0.00 19.45 19.39 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 -1.16 4.36 -0.55 0.00 2.01 -1.16 -4.67 115.64 114.47 3bsm s THR 37 Ca 0.19 1.61 0.03 0.00 0.31 0.00 0.00 61.69 63.82 3bsm s THR 37 Cb 0.18 -4.15 0.14 0.00 0.01 0.00 0.00 72.50 68.68 3bsm s THR 37 CO -0.03 -0.27 0.31 -0.22 -0.69 0.00 0.00 174.62 173.72 3bsm s LEU 38 N 3.67 4.52 -0.29 4.42 2.96 -1.26 -4.87 118.68 127.84 3bsm s LEU 38 Ca 0.52 -3.03 -0.43 0.00 -0.22 0.00 0.00 54.13 50.97 3bsm s LEU 38 Cb -0.18 -1.69 -0.19 0.00 0.50 0.00 0.00 46.19 44.63 3bsm s LEU 38 CO 0.15 -0.25 1.44 -3.20 -1.32 0.00 0.00 176.35 173.17 3bsm n ASN 39 N 3.13 0.99 0.00 3.68 5.15 -1.26 -1.01 115.26 125.93 3bsm n ASN 39 Ca 0.06 1.16 0.00 0.00 -0.60 0.00 0.00 54.58 55.21 3bsm n ASN 39 Cb 0.33 -0.94 0.00 0.00 -0.53 0.00 0.00 39.78 38.64 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 3.16 1.74 1.30 8.20 0.00 -1.26 -4.74 105.19 113.59 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 0.04 -0.26 1.61 5.12 -0.18 -4.98 116.66 116.02 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 0.22 0.19 0.00 -1.16 0.00 0.00 32.46 31.71 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 0.37 0.00 5.56 3.07 -1.53 -1.76 114.58 120.85 3bsm h GLU 42 Ca -0.39 -0.02 -0.01 0.00 -0.50 0.00 0.00 59.36 58.44 3bsm h GLU 42 Cb 1.66 -0.08 -0.00 0.00 -0.84 0.00 0.00 28.75 29.48 3bsm h GLU 42 CO -0.08 0.25 -0.04 0.52 -1.40 0.00 0.00 179.01 178.26 3bsm h MET 43 N 0.38 0.00 -0.30 2.33 2.86 -1.93 -1.98 114.93 116.29 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 0.67 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.33 3bsm h MET 43 CO -0.44 0.04 -0.18 0.00 1.06 0.00 0.00 176.91 177.38 3bsm h ALA 44 N 1.96 0.42 -0.27 6.32 0.00 -1.71 -1.97 119.26 124.02 3bsm h ALA 44 Ca -0.00 -0.35 -0.11 0.00 0.00 0.00 0.00 54.91 54.45 3bsm h ALA 44 Cb 0.36 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 3bsm h ALA 44 CO 0.00 0.35 -0.28 0.28 0.00 0.00 0.00 179.25 179.61 3bsm h VAL 45 N 0.40 1.31 -0.48 0.00 2.07 -1.51 -1.57 116.25 116.47 3bsm h VAL 45 Ca 0.06 -1.45 0.07 0.00 0.82 0.00 0.00 66.70 66.20 3bsm h VAL 45 Cb 0.72 1.62 -0.06 0.00 -1.52 0.00 0.00 31.29 32.05 3bsm h VAL 45 CO 0.05 0.46 0.15 0.00 0.02 0.00 0.00 177.57 178.25 3bsm h ALA 46 N 0.69 0.57 -0.44 1.67 0.00 -1.34 -0.11 119.26 120.31 3bsm h ALA 46 Ca 0.04 0.08 -0.11 0.00 0.00 0.00 0.00 54.91 54.91 3bsm h ALA 46 Cb 0.85 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 3bsm h ALA 46 CO 0.07 -0.25 -0.18 0.00 0.00 0.00 0.00 179.25 178.89 3bsm h ALA 47 N 1.34 0.85 -0.04 0.00 0.00 -1.32 -0.59 119.26 119.50 3bsm h ALA 47 Ca 0.23 -0.36 0.02 0.00 0.00 0.00 0.00 54.91 54.81 3bsm h ALA 47 Cb 0.27 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 3bsm h ALA 47 CO -0.26 0.64 -0.11 -0.92 0.00 0.00 0.00 179.25 178.59 3bsm h TYR 48 N 0.75 -0.29 0.66 0.00 3.20 -0.29 0.87 116.97 121.86 3bsm h TYR 48 Ca 0.11 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.96 3bsm h TYR 48 Cb 0.70 0.13 0.01 0.00 1.54 0.00 0.00 36.73 39.12 3bsm h TYR 48 CO 0.04 -0.17 -0.32 -0.07 -1.64 0.00 0.00 178.16 176.00 3bsm h LEU 49 N -0.18 -0.75 0.40 2.82 3.38 -0.94 -1.88 115.31 118.15 3bsm h LEU 49 Ca 0.05 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 3bsm h LEU 49 Cb 0.25 0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.17 3bsm h LEU 49 CO -0.14 -0.41 -0.42 0.44 0.09 0.00 0.00 178.44 178.01 3bsm h ASP 50 N -1.10 -1.15 0.93 -0.43 3.45 -1.07 0.36 116.42 117.41 3bsm h ASP 50 Ca -0.09 0.09 0.00 0.00 0.43 0.00 0.00 57.03 57.46 3bsm h ASP 50 Cb 0.71 0.38 0.00 0.00 -0.56 0.00 0.00 39.33 39.87 3bsm h ASP 50 CO 0.15 -0.54 0.00 -0.33 -1.57 0.00 0.00 179.24 176.94 3bsm h GLU 51 N -0.82 0.00 0.00 3.56 4.39 -0.96 -3.39 114.58 117.37 3bsm h GLU 51 Ca -0.05 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.65 3bsm h GLU 51 Cb 0.71 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.36 3bsm h GLU 51 CO -0.06 0.00 -0.22 0.72 -1.16 0.00 0.00 179.01 178.29 3bsm n HIS 52 N -2.51 0.00 -0.06 4.33 8.25 -0.76 -4.91 115.22 119.55 3bsm n HIS 52 Ca 0.02 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.34 3bsm n HIS 52 Cb 0.28 0.10 -0.13 0.00 1.12 0.00 0.00 29.99 31.36 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 1.73 -0.31 1.59 2.07 -0.78 -3.35 116.25 117.20 3bsm h VAL 53 Ca 0.00 -2.23 0.07 0.00 0.82 0.00 0.00 66.70 65.36 3bsm h VAL 53 Cb 0.22 3.24 -0.08 0.00 -1.52 0.00 0.00 31.29 33.15 3bsm h VAL 53 CO 0.00 0.57 -0.21 0.58 0.02 0.00 0.00 177.57 178.54 3bsm h VAL 54 N -0.96 0.43 -0.94 2.57 2.07 -0.52 -1.85 116.25 117.05 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 0.94 0.43 -0.10 0.00 -1.52 0.00 0.00 31.29 31.05 3bsm h VAL 54 CO 0.00 0.00 0.54 -0.65 0.02 0.00 0.00 177.57 177.48 3bsm h PRO 55 N -0.17 0.72 0.00 1.57 0.11 -1.76 -0.19 132.00 132.28 3bsm h PRO 55 Ca 0.16 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.22 3bsm h PRO 55 Cb 0.42 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 31.37 3bsm h PRO 55 CO -0.41 0.48 -0.04 0.00 -0.21 0.00 0.00 178.00 177.81 3bsm h ALA 56 N 1.60 1.00 0.00 -0.75 0.00 -1.49 -3.10 119.26 116.52 3bsm h ALA 56 Ca 0.52 -0.04 -0.18 0.00 0.00 0.00 0.00 54.91 55.22 3bsm h ALA 56 Cb 0.74 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.50 3bsm h ALA 56 CO -0.36 0.05 -0.85 -0.07 0.00 0.00 0.00 179.25 178.03 3bsm h LEU 57 N 0.00 0.00 -9.42 0.00 3.38 -0.44 -3.44 115.31 105.39 3bsm h LEU 57 Ca -0.00 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.40 3bsm h LEU 57 Cb 0.62 0.00 0.04 0.00 0.09 0.00 0.00 40.66 41.41 3bsm h LEU 57 CO 0.01 0.85 1.04 -0.38 0.09 0.00 0.00 178.44 180.04 3bsm n ILE 58 N -3.50 0.37 0.00 1.22 2.08 -1.13 -1.90 119.36 116.50 3bsm n ILE 58 Ca -0.00 -0.07 0.00 0.00 0.56 0.00 0.00 62.75 63.24 3bsm n ILE 58 Cb 0.82 -1.91 0.00 0.00 -0.75 0.00 0.00 39.64 37.80 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 4.10 2.92 3.82 7.39 0.00 0.04 -4.98 105.19 118.48 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 -0.72 3.35 -0.34 1.61 0.52 -0.80 -4.57 118.95 118.00 3bsm s ARG 60 Ca 0.00 1.09 -0.29 0.00 -0.52 0.00 0.00 55.73 56.01 3bsm s ARG 60 Cb 0.00 -2.04 0.02 0.00 0.52 0.00 0.00 34.95 33.45 3bsm s ARG 60 CO 0.00 -0.78 1.08 0.34 0.02 0.00 0.00 175.30 175.96 3bsm s ASP 61 N -3.11 6.88 0.19 0.23 3.68 -1.26 -0.64 116.67 122.64 3bsm s ASP 61 Ca 0.61 0.95 0.17 0.00 2.13 0.00 0.00 52.55 56.41 3bsm s ASP 61 Cb -0.14 -2.54 0.81 0.00 -1.45 0.00 0.00 42.92 39.59 3bsm s ASP 61 CO 0.41 -0.93 1.53 0.00 0.13 0.00 0.00 175.17 176.31 3bsm n ALA 62 N 7.01 1.38 0.90 3.66 0.00 -1.09 -2.28 120.51 130.09 3bsm n ALA 62 Ca 0.12 0.08 0.13 0.00 0.00 0.00 0.00 53.44 53.77 3bsm n ALA 62 Cb 0.47 -1.28 0.51 0.00 0.00 0.00 0.00 19.45 19.16 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 -0.61 -1.51 2.99 0.00 0.00 -1.26 -4.35 105.19 100.44 3bsm n GLY 63 Ca 0.01 -0.12 -0.43 0.00 0.00 0.00 0.00 46.02 45.48 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 -1.68 3.64 0.32 1.61 1.74 -0.96 -4.78 116.66 116.54 3bsm n ARG 64 Ca 0.06 -3.68 -0.16 0.00 -0.77 0.00 0.00 57.85 53.31 3bsm n ARG 64 Cb 0.36 -2.91 -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 3.87 0.27 -0.35 0.55 2.04 -1.86 -1.46 117.51 120.58 3bsm h ILE 65 Ca 0.36 -0.29 0.07 0.00 1.00 0.00 0.00 64.86 66.01 3bsm h ILE 65 Cb 0.67 0.35 -0.08 0.00 -0.74 0.00 0.00 36.82 37.03 3bsm h ILE 65 CO 1.53 0.03 -0.16 -0.08 0.00 0.00 0.00 178.15 179.47 3bsm h GLU 66 N -1.04 -0.10 -0.78 2.37 4.57 -1.98 -0.63 114.58 117.00 3bsm h GLU 66 Ca -0.08 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.10 3bsm h GLU 66 Cb 0.68 0.02 -0.04 0.00 -0.16 0.00 0.00 28.75 29.25 3bsm h GLU 66 CO 0.14 -0.06 0.49 0.22 -1.18 0.00 0.00 179.01 178.62 3bsm h ASP 67 N -0.10 0.92 -0.33 1.04 3.58 -1.95 -1.37 116.42 118.21 3bsm h ASP 67 Ca 0.18 -0.04 -0.14 0.00 0.42 0.00 0.00 57.03 57.45 3bsm h ASP 67 Cb 0.37 -0.23 -0.01 0.00 1.72 0.00 0.00 39.33 41.18 3bsm h ASP 67 CO -0.41 0.69 -0.33 0.74 -2.88 0.00 0.00 179.24 177.05 3bsm h THR 68 N 1.07 1.29 0.36 2.25 2.02 -0.44 0.75 112.91 120.21 3bsm h THR 68 Ca 0.28 -1.50 -0.00 0.00 0.77 0.00 0.00 66.41 65.96 3bsm h THR 68 Cb -0.08 1.49 -0.03 0.00 -1.74 0.00 0.00 68.15 67.80 3bsm h THR 68 CO -0.06 0.49 -0.40 -0.25 0.37 0.00 0.00 175.52 175.67 3bsm h TRP 69 N 0.59 -1.10 -0.78 3.16 7.01 -0.65 0.50 115.95 124.68 3bsm h TRP 69 Ca 0.05 0.01 0.07 0.00 2.11 0.00 0.00 58.89 61.13 3bsm h TRP 69 Cb 0.91 0.44 -0.06 0.00 -2.10 0.00 0.00 29.16 28.35 3bsm h TRP 69 CO 0.07 -0.55 0.46 1.96 -2.79 0.00 0.00 178.44 177.59 3bsm h GLN 70 N -0.79 0.80 -0.34 2.65 1.08 -1.21 -0.24 115.11 117.05 3bsm h GLN 70 Ca -0.03 -0.05 0.02 0.00 -1.45 0.00 0.00 58.65 57.15 3bsm h GLN 70 Cb 0.72 -0.18 -0.03 0.00 -0.05 0.00 0.00 27.48 27.94 3bsm h GLN 70 CO -0.09 0.53 0.17 -0.92 -0.95 0.00 0.00 178.83 177.56 3bsm h TYR 71 N 0.82 0.31 -0.05 2.96 3.20 -0.32 -1.09 116.97 122.80 3bsm h TYR 71 Ca 0.35 0.01 -0.14 0.00 3.14 0.00 0.00 58.73 62.09 3bsm h TYR 71 Cb 0.22 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.39 3bsm h TYR 71 CO -0.06 0.17 -0.61 -0.07 -1.64 0.00 0.00 178.16 175.95 3bsm h LEU 72 N 0.35 0.21 -0.68 2.82 3.38 -0.47 -2.64 115.31 118.27 3bsm h LEU 72 Ca 0.14 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 3bsm h LEU 72 Cb 0.06 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 3bsm h LEU 72 CO -0.10 0.77 0.35 0.22 0.09 0.00 0.00 178.44 179.76 3bsm h TYR 73 N 0.14 0.96 -0.62 1.13 3.20 -0.66 -2.42 116.97 118.69 3bsm h TYR 73 Ca -0.01 -0.04 -0.01 0.00 3.14 0.00 0.00 58.73 61.81 3bsm h TYR 73 Cb 1.11 -0.30 -0.03 0.00 1.54 0.00 0.00 36.73 39.05 3bsm h TYR 73 CO 0.02 0.70 0.33 0.00 -1.64 0.00 0.00 178.16 177.57 3bsm h ARG 74 N 0.94 0.87 -0.42 1.82 -0.00 -1.05 -2.15 114.38 114.39 3bsm h ARG 74 Ca 0.24 -0.11 0.06 0.00 -0.50 0.00 0.00 59.98 59.67 3bsm h ARG 74 Cb 0.09 -0.17 -0.02 0.00 0.00 0.00 0.00 29.97 29.87 3bsm h ARG 74 CO -0.03 0.67 0.29 0.78 0.00 0.00 0.00 179.97 181.67 3bsm h GLY 75 N 0.85 0.39 0.12 0.04 0.00 -1.08 0.21 103.07 103.59 3bsm h GLY 75 Ca 0.22 -0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.42 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 2.53 -3.33 3.60 0.00 -0.92 -4.85 120.51 115.01 3bsm n ALA 76 Ca 0.06 -0.05 -0.17 0.00 0.00 0.00 0.00 53.44 53.28 3bsm n ALA 76 Cb 0.27 -1.08 0.08 0.00 0.00 0.00 0.00 19.45 18.72 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 -0.55 -2.15 -2.64 0.00 4.02 0.75 -2.64 117.16 113.95 3bsm n TYR 77 Ca 0.04 0.85 -0.15 0.00 -0.01 0.00 0.00 57.90 58.62 3bsm n TYR 77 Cb 0.02 -4.63 -0.00 0.00 -0.02 0.00 0.00 39.34 34.71 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 -4.11 -1.50 -4.13 -0.72 8.01 -0.85 -4.95 117.44 109.18 3bsm n TRP 78 Ca -0.15 0.12 -0.34 0.00 -1.31 0.00 0.00 57.50 55.81 3bsm n TRP 78 Cb 0.61 -2.96 -0.07 0.00 -2.01 0.00 0.00 31.31 26.88 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 -5.25 3.13 -0.20 -0.99 1.81 -1.08 -5.07 118.95 111.29 3bsm s ARG 79 Ca 0.09 -0.38 -0.11 0.00 -1.72 0.00 0.00 55.73 53.61 3bsm s ARG 79 Cb -0.05 -2.91 -0.05 0.00 -0.45 0.00 0.00 34.95 31.49 3bsm s ARG 79 CO 0.11 0.69 0.15 -0.98 -0.68 0.00 0.00 175.30 174.60 3bsm s ARG 80 N -1.33 4.18 -0.07 3.54 1.70 -1.26 -4.81 118.95 120.90 3bsm s ARG 80 Ca 0.18 -0.19 -0.30 0.00 -0.47 0.00 0.00 55.73 54.95 3bsm s ARG 80 Cb -0.12 -3.44 0.09 0.00 -0.57 0.00 0.00 34.95 30.91 3bsm s ARG 80 CO 0.08 0.26 0.78 0.20 -1.08 0.00 0.00 175.30 175.54 3bsm s GLY 81 N 0.47 -0.48 0.23 3.88 0.00 -1.26 -5.00 107.32 105.16 3bsm s GLY 81 Ca 0.09 1.48 -0.06 0.00 0.00 0.00 0.00 44.72 46.23 3bsm s GLY 81 CO -0.00 0.91 1.75 -0.56 0.00 0.00 0.00 173.10 175.19 3bsm h PRO 82 N 2.76 0.47 0.06 2.90 0.13 -1.93 0.15 132.00 136.55 3bsm h PRO 82 Ca -0.24 -0.03 -0.00 0.00 -0.87 0.00 0.00 66.00 64.85 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 -0.03 0.28 -0.23 0.00 0.00 178.00 178.69 3bsm h VAL 83 N 0.49 1.24 -0.04 1.56 2.07 -1.97 -2.71 116.25 116.88 3bsm h VAL 83 Ca 0.38 -1.13 0.03 0.00 0.82 0.00 0.00 66.70 66.80 3bsm h VAL 83 Cb 0.52 1.97 -0.05 0.00 -1.52 0.00 0.00 31.29 32.21 3bsm h VAL 83 CO -0.35 0.28 -0.22 0.74 0.02 0.00 0.00 177.57 178.03 3bsm h THR 84 N -0.60 0.47 0.00 2.57 2.02 -1.85 -2.47 112.91 113.06 3bsm h THR 84 Ca -0.01 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.11 3bsm h THR 84 Cb 0.52 0.47 -0.01 0.00 -1.74 0.00 0.00 68.15 67.39 3bsm h THR 84 CO 0.01 0.00 -0.27 0.24 0.37 0.00 0.00 175.52 175.87 3bsm h MET 85 N -0.33 0.00 -0.23 6.66 2.86 -0.81 -2.61 114.93 120.47 3bsm h MET 85 Ca 0.07 0.00 -0.13 0.00 -2.06 0.00 0.00 59.70 57.58 3bsm h MET 85 Cb 0.43 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.09 3bsm h MET 85 CO -0.23 0.27 -0.37 1.15 1.06 0.00 0.00 176.91 178.79 3bsm h THR 86 N 0.00 1.32 -0.13 2.22 2.02 -1.28 -0.02 112.91 117.04 3bsm h THR 86 Ca -0.00 -1.57 0.00 0.00 0.77 0.00 0.00 66.41 65.61 3bsm h THR 86 Cb 0.86 1.77 -0.01 0.00 -1.74 0.00 0.00 68.15 69.03 3bsm h THR 86 CO 0.04 0.49 0.08 0.00 0.37 0.00 0.00 175.52 176.50 3bsm h ALA 87 N 0.64 0.16 -0.79 6.16 0.00 -1.35 -0.47 119.26 123.61 3bsm h ALA 87 Ca 0.02 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 3bsm h ALA 87 Cb 0.96 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.66 3bsm h ALA 87 CO 0.08 -0.36 0.41 0.82 0.00 0.00 0.00 179.25 180.20 3bsm h ILE 88 N 0.17 1.24 -0.65 0.00 2.04 -1.43 -2.33 117.51 116.55 3bsm h ILE 88 Ca 0.05 -0.63 -0.07 0.00 1.00 0.00 0.00 64.86 65.21 3bsm h ILE 88 Cb -0.01 0.20 -0.03 0.00 -0.74 0.00 0.00 36.82 36.24 3bsm h ILE 88 CO -0.02 0.28 0.14 0.00 0.00 0.00 0.00 178.15 178.55 3bsm h ALA 89 N 1.33 1.03 -0.12 1.87 0.00 -0.56 0.15 119.26 122.97 3bsm h ALA 89 Ca 0.28 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 3bsm h ALA 89 Cb 0.07 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3bsm h ALA 89 CO -0.04 0.63 0.07 0.00 0.00 0.00 0.00 179.25 179.91 3bsm h ALA 90 N 1.17 0.16 -0.22 0.00 0.00 -0.58 0.16 119.26 119.95 3bsm h ALA 90 Ca 0.20 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3bsm h ALA 90 Cb 0.36 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 3bsm h ALA 90 CO 0.00 -0.33 0.14 0.28 0.00 0.00 0.00 179.25 179.35 3bsm h VAL 91 N 0.13 1.05 -0.85 0.00 2.07 -1.21 -1.50 116.25 115.94 3bsm h VAL 91 Ca 0.04 -0.10 0.02 0.00 0.82 0.00 0.00 66.70 67.49 3bsm h VAL 91 Cb 0.03 0.73 -0.05 0.00 -1.52 0.00 0.00 31.29 30.49 3bsm h VAL 91 CO -0.01 0.05 0.56 -0.78 0.02 0.00 0.00 177.57 177.41 3bsm h ASP 92 N 0.29 0.94 -0.63 0.57 3.58 -0.66 -0.59 116.42 119.93 3bsm h ASP 92 Ca 0.08 -0.01 -0.09 0.00 0.42 0.00 0.00 57.03 57.43 3bsm h ASP 92 Cb -0.03 -0.22 -0.02 0.00 1.72 0.00 0.00 39.33 40.78 3bsm h ASP 92 CO -0.02 0.66 0.03 0.24 -2.88 0.00 0.00 179.24 177.27 3bsm h MET 93 N 1.10 1.09 -0.18 0.28 2.86 -0.40 -1.75 114.93 117.93 3bsm h MET 93 Ca 0.33 -0.33 -0.01 0.00 -2.06 0.00 0.00 59.70 57.63 3bsm h MET 93 Cb -0.05 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.49 3bsm h MET 93 CO -0.10 1.04 0.06 0.00 1.06 0.00 0.00 176.91 178.98 3bsm h ALA 94 N 1.02 0.23 -0.85 6.32 0.00 -0.67 -1.23 119.26 124.09 3bsm h ALA 94 Ca 0.18 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 3bsm h ALA 94 Cb 0.53 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.21 3bsm h ALA 94 CO 0.03 -0.17 0.42 -0.07 0.00 0.00 0.00 179.25 179.46 3bsm h LEU 95 N 0.12 1.10 -1.12 0.00 3.38 -1.03 -0.28 115.31 117.48 3bsm h LEU 95 Ca 0.06 -0.12 -0.08 0.00 0.09 0.00 0.00 57.88 57.82 3bsm h LEU 95 Cb 0.20 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 3bsm h LEU 95 CO -0.00 0.91 -0.25 -0.50 0.09 0.00 0.00 178.44 178.69 3bsm h TRP 96 N 1.20 0.34 0.46 1.13 4.06 -1.19 -0.15 115.95 121.80 3bsm h TRP 96 Ca 0.29 -0.06 -0.02 0.00 2.06 0.00 0.00 58.89 61.16 3bsm h TRP 96 Cb 0.10 -0.09 0.00 0.00 -1.00 0.00 0.00 29.16 28.17 3bsm h TRP 96 CO 0.01 0.54 -0.22 0.22 -3.56 0.00 0.00 178.44 175.43 3bsm h ASP 97 N 0.28 -0.52 -0.60 -3.49 3.58 -0.25 -1.16 116.42 114.26 3bsm h ASP 97 Ca 0.04 -0.03 0.08 0.00 0.42 0.00 0.00 57.03 57.55 3bsm h ASP 97 Cb 0.60 0.13 -0.07 0.00 1.72 0.00 0.00 39.33 41.71 3bsm h ASP 97 CO 0.04 -0.30 0.25 0.40 -2.88 0.00 0.00 179.24 176.75 3bsm h ILE 98 N -0.71 0.82 -0.42 2.25 2.04 -0.83 -1.83 117.51 118.83 3bsm h ILE 98 Ca -0.06 -0.16 -0.01 0.00 1.00 0.00 0.00 64.86 65.63 3bsm h ILE 98 Cb 0.52 0.33 -0.02 0.00 -0.74 0.00 0.00 36.82 36.91 3bsm h ILE 98 CO 0.10 0.08 0.22 0.50 0.00 0.00 0.00 178.15 179.06 3bsm h LYS 99 N 0.46 0.59 -0.71 2.37 3.64 -0.85 0.30 116.57 122.37 3bsm h LYS 99 Ca 0.29 -0.07 -0.03 0.00 -1.27 0.00 0.00 60.65 59.56 3bsm h LYS 99 Cb 0.32 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 31.99 3bsm h LYS 99 CO -0.27 0.49 0.31 0.00 -2.27 0.00 0.00 179.45 177.71 3bsm h ALA 100 N 1.07 0.92 0.28 5.00 0.00 -0.88 0.60 119.26 126.25 3bsm h ALA 100 Ca 0.15 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 3bsm h ALA 100 Cb 0.07 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.59 3bsm h ALA 100 CO -0.02 0.52 -0.13 0.87 0.00 0.00 0.00 179.25 180.48 3bsm h LYS 101 N 1.00 -0.36 -0.57 0.00 1.57 -1.12 0.88 116.57 117.97 3bsm h LYS 101 Ca 0.24 0.02 0.16 0.00 -1.87 0.00 0.00 60.65 59.21 3bsm h LYS 101 Cb 0.17 0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.54 3bsm h LYS 101 CO -0.02 -0.23 0.41 0.00 -0.57 0.00 0.00 179.45 179.03 3bsm h ALA 102 N 0.34 2.53 -0.00 3.86 0.00 -0.55 0.83 119.26 126.26 3bsm h ALA 102 Ca -0.04 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.85 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 -0.69 -0.32 0.00 0.00 0.00 0.00 179.25 178.30 3bsm n ALA 103 N -2.65 3.13 -2.55 0.00 0.00 0.17 -4.94 120.51 113.68 3bsm n ALA 103 Ca 0.11 -0.27 -0.15 0.00 0.00 0.00 0.00 53.44 53.12 3bsm n ALA 103 Cb 0.64 -1.24 0.01 0.00 0.00 0.00 0.00 19.45 18.86 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 1.48 -0.18 3.08 0.00 0.00 0.29 -5.02 105.19 104.84 3bsm n GLY 104 Ca 0.07 -0.21 -0.08 0.00 0.00 0.00 0.00 46.02 45.79 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 -5.05 0.55 0.53 1.61 0.00 -0.58 -4.80 119.30 111.55 3bsm s MET 105 Ca 0.11 -0.90 -0.20 0.00 0.00 0.00 0.00 55.69 54.70 3bsm s MET 105 Cb -0.05 0.20 -0.06 0.00 0.00 0.00 0.00 34.83 34.93 3bsm s MET 105 CO 0.14 -0.12 1.17 -1.25 0.00 0.00 0.00 175.02 174.96 3bsm s PRO 106 N -2.90 3.38 0.32 3.16 0.04 -1.25 -1.99 135.00 135.75 3bsm s PRO 106 Ca -0.02 1.73 0.09 0.00 0.04 0.00 0.00 61.00 62.83 3bsm s PRO 106 Cb 0.01 -2.11 0.90 0.00 0.04 0.00 0.00 34.50 33.34 3bsm s PRO 106 CO -0.06 -0.86 1.67 1.25 0.04 0.00 0.00 177.00 179.04 3bsm h LEU 107 N 1.38 0.33 -2.20 -3.56 5.85 -1.20 -0.01 115.31 115.90 3bsm h LEU 107 Ca -0.50 0.19 -0.01 0.00 0.84 0.00 0.00 57.88 58.40 3bsm h LEU 107 Cb 1.27 0.17 -0.00 0.00 0.37 0.00 0.00 40.66 42.47 3bsm h LEU 107 CO 0.57 -0.11 -0.03 0.10 -0.34 0.00 0.00 178.44 178.64 3bsm h TYR 108 N 0.31 0.00 -0.17 1.25 -0.00 -1.87 -0.62 116.97 115.87 3bsm h TYR 108 Ca 0.65 0.00 -0.18 0.00 0.00 0.00 0.00 58.73 59.20 3bsm h TYR 108 Cb 1.38 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 38.11 3bsm h TYR 108 CO -0.11 0.03 -0.62 1.96 -0.00 0.00 0.00 178.16 179.41 3bsm h GLN 109 N 0.00 0.61 -0.09 0.10 1.08 -1.30 -0.85 115.11 114.66 3bsm h GLN 109 Ca -0.00 -0.42 -0.09 0.00 -1.45 0.00 0.00 58.65 56.69 3bsm h GLN 109 Cb 0.05 0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 27.54 3bsm h GLN 109 CO 0.00 1.04 -0.34 1.25 -0.95 0.00 0.00 178.83 179.83 3bsm h LEU 110 N 0.45 0.18 -0.17 1.46 5.85 -1.10 -2.94 115.31 119.04 3bsm h LEU 110 Ca -0.01 -0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.65 3bsm h LEU 110 Cb 1.20 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 42.18 3bsm h LEU 110 CO 0.12 0.52 0.00 -0.07 -0.34 0.00 0.00 178.44 178.67 3bsm h LEU 111 N 0.15 0.00 0.00 2.25 3.38 -1.30 -3.45 115.31 116.34 3bsm h LEU 111 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3bsm h LEU 111 Cb 0.69 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.44 3bsm h LEU 111 CO 0.05 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.19 3bsm n GLY 112 N 1.02 -0.97 0.00 0.83 0.00 -1.11 -5.03 105.19 99.93 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 -0.02 3.72 -0.02 0.00 -0.33 -4.96 105.19 103.58 3bsm n GLY 113 Ca 0.00 -1.89 -0.42 0.00 0.00 0.00 0.00 46.02 43.72 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 -1.37 4.48 -0.02 1.61 2.20 -1.26 -4.17 119.74 121.20 3bsm s LYS 114 Ca 0.00 1.77 0.11 0.00 -0.36 0.00 0.00 55.97 57.49 3bsm s LYS 114 Cb 0.00 -3.32 -0.17 0.00 -1.51 0.00 0.00 37.83 32.83 3bsm s LYS 114 CO 0.00 -0.16 0.23 0.43 -0.36 0.00 0.00 175.35 175.49 3bsm n SER 115 N 3.37 2.39 -3.75 1.43 7.64 0.60 -4.96 113.62 120.34 3bsm n SER 115 Ca 0.07 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 59.83 3bsm n SER 115 Cb 0.46 1.45 -0.07 0.00 -1.01 0.00 0.00 64.21 65.03 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 -2.74 0.79 0.07 1.43 1.70 -1.11 -5.05 118.95 114.05 3bsm s ARG 116 Ca -0.04 -0.45 -0.15 0.00 -0.47 0.00 0.00 55.73 54.62 3bsm s ARG 116 Cb 0.07 0.34 -0.19 0.00 -0.57 0.00 0.00 34.95 34.60 3bsm s ARG 116 CO 0.47 -0.25 1.24 1.49 -1.08 0.00 0.00 175.30 177.17 3bsm h GLU 117 N 3.32 0.67 -4.53 3.89 4.57 -1.95 -3.47 114.58 117.08 3bsm h GLU 117 Ca -0.31 -0.60 -0.21 0.00 -1.18 0.00 0.00 59.36 57.06 3bsm h GLU 117 Cb 1.20 0.14 -0.16 0.00 -0.16 0.00 0.00 28.75 29.77 3bsm h GLU 117 CO 0.45 1.21 -0.70 -0.98 -1.18 0.00 0.00 179.01 177.81 3bsm s ARG 118 N -3.57 0.73 -0.27 1.92 1.70 -1.26 -4.69 118.95 113.51 3bsm s ARG 118 Ca -0.11 -1.21 -0.06 0.00 -0.47 0.00 0.00 55.73 53.88 3bsm s ARG 118 Cb 0.07 -0.12 0.00 0.00 -0.57 0.00 0.00 34.95 34.33 3bsm s ARG 118 CO 0.88 -0.03 0.04 0.14 -1.08 0.00 0.00 175.30 175.25 3bsm s VAL 119 N -3.32 3.78 0.41 4.99 -7.23 -0.64 -4.92 120.40 113.47 3bsm s VAL 119 Ca 0.07 -0.60 -0.27 0.00 -1.81 0.00 0.00 61.98 59.37 3bsm s VAL 119 Cb 0.03 -2.87 -0.10 0.00 0.56 0.00 0.00 36.38 34.00 3bsm s VAL 119 CO -0.05 0.21 1.48 -0.32 -0.31 0.00 0.00 175.10 176.10 3bsm s MET 120 N 1.50 3.92 0.38 4.82 1.75 -1.26 -1.65 119.30 128.75 3bsm s MET 120 Ca 0.04 2.54 0.05 0.00 -1.25 0.00 0.00 55.69 57.07 3bsm s MET 120 Cb -0.16 -2.84 -0.07 0.00 2.84 0.00 0.00 34.83 34.61 3bsm s MET 120 CO 0.01 -0.68 0.04 0.99 -0.65 0.00 0.00 175.02 174.73 3bsm s THR 121 N -1.15 1.52 0.01 10.11 2.01 -1.07 -1.59 115.64 125.48 3bsm s THR 121 Ca 0.56 -2.00 0.00 0.00 0.31 0.00 0.00 61.69 60.57 3bsm s THR 121 Cb -0.46 -2.83 -0.01 0.00 0.01 0.00 0.00 72.50 69.21 3bsm s THR 121 CO 0.61 0.00 -0.02 -0.72 -0.69 0.00 0.00 174.62 173.80 3bsm s TYR 122 N -3.01 0.16 0.20 4.92 -0.85 -1.00 -4.09 117.35 113.68 3bsm s TYR 122 Ca 0.34 -0.20 0.06 0.00 -0.52 0.00 0.00 57.07 56.74 3bsm s TYR 122 Cb 0.09 -0.11 -0.04 0.00 0.38 0.00 0.00 41.96 42.28 3bsm s TYR 122 CO 0.16 -0.07 0.20 0.00 -1.52 0.00 0.00 175.55 174.32 3bsm s ALA 123 N -0.55 3.65 -0.19 9.51 0.00 -0.91 -2.49 121.76 130.79 3bsm s ALA 123 Ca -0.05 -1.27 -0.23 0.00 0.00 0.00 0.00 51.96 50.40 3bsm s ALA 123 Cb -0.04 -1.42 -0.02 0.00 0.00 0.00 0.00 23.12 21.64 3bsm s ALA 123 CO -0.00 0.39 0.73 -1.01 0.00 0.00 0.00 175.76 175.86 3bsm s HIS 124 N -1.92 3.39 -0.39 0.00 3.76 -1.26 -0.17 115.29 118.71 3bsm s HIS 124 Ca 0.32 1.09 0.02 0.00 -0.15 0.00 0.00 55.06 56.34 3bsm s HIS 124 Cb -0.09 -2.91 0.11 0.00 1.11 0.00 0.00 32.58 30.81 3bsm s HIS 124 CO 0.25 -0.21 0.15 0.00 -0.85 0.00 0.00 174.74 174.08 3bsm s THR 126 N 0.78 2.38 0.12 0.00 -4.23 -1.26 -1.88 115.64 111.55 3bsm s THR 126 Ca 0.13 -2.34 -0.26 0.00 -1.18 0.00 0.00 61.69 58.04 3bsm s THR 126 Cb -0.21 -2.39 0.07 0.00 1.34 0.00 0.00 72.50 71.31 3bsm s THR 126 CO -0.10 -0.35 0.90 -0.83 -0.54 0.00 0.00 174.62 173.71 3bsm s GLY 127 N -3.53 -0.31 0.19 3.99 0.00 -0.94 -4.44 107.32 102.27 3bsm s GLY 127 Ca 0.30 0.36 0.08 0.00 0.00 0.00 0.00 44.72 45.47 3bsm s GLY 127 CO 0.15 0.10 1.43 -1.61 0.00 0.00 0.00 173.10 173.17 3bsm h GLN 128 N 2.00 0.01 -5.64 2.90 4.15 -1.93 -2.47 115.11 114.13 3bsm h GLN 128 Ca -0.24 -0.02 -0.48 0.00 0.77 0.00 0.00 58.65 58.69 3bsm h GLN 128 Cb 1.24 0.00 -0.14 0.00 0.21 0.00 0.00 27.48 28.79 3bsm h GLN 128 CO 0.27 0.83 -0.73 0.95 -1.93 0.00 0.00 178.83 178.23 3bsm s THR 129 N -3.14 1.82 0.34 2.39 -4.23 -1.26 -1.65 115.64 109.92 3bsm s THR 129 Ca -0.00 -2.23 0.09 0.00 -1.18 0.00 0.00 61.69 58.37 3bsm s THR 129 Cb 0.11 -2.13 0.32 0.00 1.34 0.00 0.00 72.50 72.14 3bsm s THR 129 CO 0.80 -0.53 1.84 0.40 -0.54 0.00 0.00 174.62 176.59 3bsm h ILE 130 N 2.48 0.79 -0.43 2.99 2.04 -1.88 -0.71 117.51 122.79 3bsm h ILE 130 Ca -0.39 -0.24 -0.06 0.00 1.00 0.00 0.00 64.86 65.18 3bsm h ILE 130 Cb 1.23 0.03 -0.02 0.00 -0.74 0.00 0.00 36.82 37.32 3bsm h ILE 130 CO 0.62 0.13 0.05 -0.08 0.00 0.00 0.00 178.15 178.87 3bsm h GLU 131 N 0.70 0.73 -0.08 2.37 4.57 -1.98 -1.29 114.58 119.61 3bsm h GLU 131 Ca 0.49 -0.21 0.01 0.00 -1.18 0.00 0.00 59.36 58.47 3bsm h GLU 131 Cb 0.80 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 29.30 3bsm h GLU 131 CO -0.25 0.78 0.00 -0.44 -1.18 0.00 0.00 179.01 177.92 3bsm h ASP 132 N 0.59 -0.03 -0.58 1.04 3.32 -1.55 -2.20 116.42 117.00 3bsm h ASP 132 Ca 0.13 0.02 0.11 0.00 0.02 0.00 0.00 57.03 57.30 3bsm h ASP 132 Cb 0.41 0.03 -0.08 0.00 0.22 0.00 0.00 39.33 39.91 3bsm h ASP 132 CO 0.01 -0.00 0.12 0.00 -1.72 0.00 0.00 179.24 177.65 3bsm h LEU 134 N 0.25 0.00 -0.11 0.00 3.38 -0.79 -0.92 115.31 117.12 3bsm h LEU 134 Ca 0.30 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.23 3bsm h LEU 134 Cb 0.44 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.18 3bsm h LEU 134 CO -0.39 0.00 -0.08 1.23 0.09 0.00 0.00 178.44 179.30 3bsm h GLY 135 N 0.02 0.27 0.97 0.83 0.00 0.01 -1.53 103.07 103.65 3bsm h GLY 135 Ca -0.00 -0.26 0.01 0.00 0.00 0.00 0.00 47.33 47.08 3bsm h GLY 135 CO 0.00 0.24 0.47 0.83 0.00 0.00 0.00 176.54 178.08 3bsm h GLU 136 N -0.13 0.93 -0.73 4.80 4.39 -0.70 -1.52 114.58 121.61 3bsm h GLU 136 Ca 0.02 -0.06 0.01 0.00 0.34 0.00 0.00 59.36 59.68 3bsm h GLU 136 Cb 0.57 -0.21 -0.04 0.00 -0.10 0.00 0.00 28.75 28.97 3bsm h GLU 136 CO 0.02 0.61 0.48 0.28 -1.16 0.00 0.00 179.01 179.24 3bsm h VAL 137 N 0.95 1.16 -0.05 3.13 2.07 -1.16 -0.93 116.25 121.44 3bsm h VAL 137 Ca 0.27 -0.33 0.02 0.00 0.82 0.00 0.00 66.70 67.48 3bsm h VAL 137 Cb -0.08 0.11 -0.03 0.00 -1.52 0.00 0.00 31.29 29.77 3bsm h VAL 137 CO -0.07 0.18 -0.10 0.00 0.02 0.00 0.00 177.57 177.59 3bsm h ALA 138 N 1.28 -0.08 -0.51 1.67 0.00 -0.33 -0.58 119.26 120.71 3bsm h ALA 138 Ca 0.28 0.02 -0.10 0.00 0.00 0.00 0.00 54.91 55.11 3bsm h ALA 138 Cb -0.07 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 3bsm h ALA 138 CO -0.07 -0.58 -0.08 0.07 0.00 0.00 0.00 179.25 178.59 3bsm h ARG 139 N -0.16 0.96 -0.48 0.00 0.11 -1.09 -2.71 114.38 111.01 3bsm h ARG 139 Ca 0.05 -0.35 -0.06 0.00 0.10 0.00 0.00 59.98 59.73 3bsm h ARG 139 Cb 0.23 -0.07 -0.02 0.00 1.11 0.00 0.00 29.97 31.22 3bsm h ARG 139 CO -0.14 1.01 0.07 0.45 0.10 0.00 0.00 179.97 181.46 3bsm h HIS 140 N 0.83 0.79 0.00 4.08 3.86 -0.95 -0.17 115.15 123.58 3bsm h HIS 140 Ca 0.14 -0.08 -0.00 0.00 -1.16 0.00 0.00 60.37 59.26 3bsm h HIS 140 Cb 0.63 -0.23 -0.00 0.00 1.06 0.00 0.00 27.41 28.87 3bsm h HIS 140 CO 0.05 0.70 -0.02 -0.39 0.86 0.00 0.00 177.93 179.12 3bsm h VAL 141 N 0.72 0.05 -0.20 2.45 -1.51 -1.02 -1.77 116.25 114.98 3bsm h VAL 141 Ca 0.15 -0.58 -0.19 0.00 -1.23 0.00 0.00 66.70 64.86 3bsm h VAL 141 Cb 0.34 1.55 0.00 0.00 -2.13 0.00 0.00 31.29 31.05 3bsm h VAL 141 CO 0.01 0.02 -0.63 -0.33 -1.23 0.00 0.00 177.57 175.40 3bsm h GLU 142 N 0.00 0.70 0.00 5.19 4.39 -0.74 -2.47 114.58 121.66 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 0.55 0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.27 3bsm h GLU 142 CO 0.00 1.12 0.00 1.28 -1.16 0.00 0.00 179.01 180.25 3bsm n LEU 143 N -3.95 0.00 0.00 1.33 4.77 -0.66 -4.85 117.00 113.64 3bsm n LEU 143 Ca -0.05 0.30 0.00 0.00 -0.03 0.00 0.00 56.01 56.24 3bsm n LEU 143 Cb 0.66 -0.30 0.00 0.00 -2.33 0.00 0.00 43.42 41.45 3bsm n LEU 143 CO 0.50 -0.16 0.00 0.61 -1.33 0.00 0.00 177.39 177.01 3bsm n GLY 144 N -0.06 0.42 3.74 -0.72 0.00 -0.93 -3.88 105.19 103.76 3bsm n GLY 144 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 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 2.81 -2.25 1.61 1.51 -1.04 -3.73 117.35 114.26 3bsm s TYR 145 Ca 0.00 0.72 0.24 0.00 -1.01 0.00 0.00 57.07 57.02 3bsm s TYR 145 Cb 0.00 -4.06 0.28 0.00 -0.11 0.00 0.00 41.96 38.07 3bsm s TYR 145 CO 0.00 -3.65 1.28 0.54 -1.11 0.00 0.00 175.55 172.61 3bsm n ARG 146 N 2.56 1.44 -3.76 -0.62 5.12 -1.26 -4.50 116.66 115.64 3bsm n ARG 146 Ca 0.10 -1.11 -0.13 0.00 -1.93 0.00 0.00 57.85 54.77 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 -2.33 -0.81 -0.01 7.54 0.00 -1.26 -2.29 121.76 122.59 3bsm s ALA 147 Ca 0.24 0.53 -0.04 0.00 0.00 0.00 0.00 51.96 52.68 3bsm s ALA 147 Cb 0.19 -0.12 0.00 0.00 0.00 0.00 0.00 23.12 23.19 3bsm s ALA 147 CO 0.48 -0.23 0.09 0.14 0.00 0.00 0.00 175.76 176.24 3bsm s VAL 148 N -0.87 0.05 -0.25 0.00 -7.23 0.14 -2.13 120.40 110.11 3bsm s VAL 148 Ca -0.09 -0.45 -0.12 0.00 -1.81 0.00 0.00 61.98 59.50 3bsm s VAL 148 Cb -0.04 -0.29 -0.05 0.00 0.56 0.00 0.00 36.38 36.56 3bsm s VAL 148 CO 0.03 -0.25 0.25 -0.60 -0.31 0.00 0.00 175.10 174.22 3bsm s ARG 149 N -0.81 4.04 -0.13 4.82 3.52 0.76 -0.22 118.95 130.93 3bsm s ARG 149 Ca -0.09 -0.15 -0.03 0.00 -0.13 0.00 0.00 55.73 55.34 3bsm s ARG 149 Cb -0.05 -3.60 -0.03 0.00 -1.56 0.00 0.00 34.95 29.71 3bsm s ARG 149 CO 0.00 -0.09 -0.04 0.14 -0.81 0.00 0.00 175.30 174.50 3bsm s VAL 150 N 1.49 3.86 0.01 7.11 -7.23 -0.16 -0.44 120.40 125.04 3bsm s VAL 150 Ca 0.11 -0.38 -0.02 0.00 -1.81 0.00 0.00 61.98 59.88 3bsm s VAL 150 Cb -0.15 -2.66 -0.01 0.00 0.56 0.00 0.00 36.38 34.12 3bsm s VAL 150 CO 0.08 0.52 0.02 -1.10 -0.31 0.00 0.00 175.10 174.31 3bsm s GLN 151 N 0.05 0.26 0.15 4.82 -1.52 -0.79 -4.62 119.66 118.01 3bsm s GLN 151 Ca -0.00 -0.38 -0.16 0.00 -1.95 0.00 0.00 55.36 52.87 3bsm s GLN 151 Cb -0.13 0.10 0.03 0.00 -0.22 0.00 0.00 33.01 32.78 3bsm s GLN 151 CO 0.03 -0.05 0.43 -1.54 -0.25 0.00 0.00 175.29 173.91 3bsm s SER 152 N -1.02 -0.21 0.63 5.90 1.04 -1.26 -2.23 113.70 116.56 3bsm s SER 152 Ca -0.11 -0.44 -0.15 0.00 0.48 0.00 0.00 55.95 55.73 3bsm s SER 152 Cb -0.07 0.51 -0.02 0.00 0.10 0.00 0.00 66.02 66.54 3bsm s SER 152 CO -0.00 -0.93 1.07 -0.83 0.98 0.00 0.00 173.24 173.53 3bsm s GLY 153 N -2.85 2.06 -0.36 7.32 0.00 -0.66 -4.96 107.32 107.88 3bsm s GLY 153 Ca 0.07 0.40 -0.09 0.00 0.00 0.00 0.00 44.72 45.10 3bsm s GLY 153 CO -0.07 0.73 0.16 0.14 0.00 0.00 0.00 173.10 174.05 3bsm s VAL 154 N -2.50 4.18 0.03 1.40 1.01 -1.26 -4.73 120.40 118.52 3bsm s VAL 154 Ca 0.64 -1.01 -0.38 0.00 0.00 0.00 0.00 61.98 61.23 3bsm s VAL 154 Cb -0.17 -3.35 -0.17 0.00 0.00 0.00 0.00 36.38 32.68 3bsm s VAL 154 CO 0.41 -0.21 1.35 -2.65 0.00 0.00 0.00 175.10 173.99 3bsm n PRO 155 N 4.90 0.98 0.00 2.72 -0.02 -1.26 -5.02 135.00 137.30 3bsm n PRO 155 Ca -0.12 0.35 0.00 0.00 -2.02 0.00 0.00 63.50 61.71 3bsm n PRO 155 Cb 0.45 -1.98 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 2.58 0.99 0.00 -1.23 0.00 -1.26 -4.99 105.19 101.28 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 0.68 0.00 -0.11 1.61 2.88 -1.26 -5.10 113.62 112.32 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 1.18 -0.86 2.46 2.02 -1.99 -2.53 112.91 113.19 3bsm h THR 186 Ca 0.00 -0.54 0.03 0.00 0.77 0.00 0.00 66.41 66.67 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 0.19 0.56 -0.08 0.37 0.00 0.00 175.52 176.56 3bsm h GLU 187 N 0.38 1.06 -0.55 6.66 4.57 -2.01 -0.02 114.58 124.66 3bsm h GLU 187 Ca 0.11 -0.06 -0.09 0.00 -1.18 0.00 0.00 59.36 58.14 3bsm h GLU 187 Cb 0.17 -0.24 -0.02 0.00 -0.16 0.00 0.00 28.75 28.51 3bsm h GLU 187 CO -0.01 0.70 0.00 0.87 -1.18 0.00 0.00 179.01 179.39 3bsm h LYS 188 N 1.09 0.97 0.26 1.92 1.57 -1.93 -2.17 116.57 118.28 3bsm h LYS 188 Ca 0.34 -0.31 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 3bsm h LYS 188 Cb -0.01 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.21 3bsm h LYS 188 CO -0.11 0.98 -0.12 -0.92 -0.57 0.00 0.00 179.45 178.70 3bsm h TYR 189 N 0.86 -0.32 -0.77 -1.35 3.20 -0.95 0.66 116.97 118.30 3bsm h TYR 189 Ca 0.16 -0.01 0.11 0.00 3.14 0.00 0.00 58.73 62.13 3bsm h TYR 189 Cb 0.53 0.11 -0.05 0.00 1.54 0.00 0.00 36.73 38.86 3bsm h TYR 189 CO 0.04 -0.19 0.50 -0.07 -1.64 0.00 0.00 178.16 176.81 3bsm h LEU 190 N -0.36 0.57 0.00 2.82 3.38 -0.93 0.60 115.31 121.40 3bsm h LEU 190 Ca -0.04 0.02 -0.22 0.00 0.09 0.00 0.00 57.88 57.74 3bsm h LEU 190 Cb 0.28 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.89 3bsm h LEU 190 CO 0.06 0.33 -1.05 0.78 0.09 0.00 0.00 178.44 178.65 3bsm h ASN 191 N 0.63 0.00 0.21 -0.43 2.35 -1.09 -3.37 115.58 113.89 3bsm h ASN 191 Ca 0.36 -0.00 -0.28 0.00 -0.55 0.00 0.00 56.30 55.83 3bsm h ASN 191 Cb 0.55 -0.00 0.03 0.00 0.05 0.00 0.00 38.32 38.95 3bsm h ASN 191 CO -0.13 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 -0.72 1.19 2.76 0.21 -3.38 115.15 116.05 3bsm h HIS 192 Ca -0.03 -0.61 0.15 0.00 -2.20 0.00 0.00 60.37 57.68 3bsm h HIS 192 Cb 1.79 -0.04 -0.14 0.00 1.55 0.00 0.00 27.41 30.58 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 0.51 -0.71 5.26 0.00 -1.08 -0.71 119.26 122.66 3bsm h ALA 193 Ca -0.21 0.28 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 0.47 -1.35 0.00 0.00 0.00 179.25 178.19 3bsm h PRO 194 N 0.01 0.82 -0.74 0.00 0.11 -1.76 -2.13 132.00 128.32 3bsm h PRO 194 Ca 0.35 -0.05 -0.05 0.00 0.11 0.00 0.00 66.00 66.37 3bsm h PRO 194 Cb 0.55 -0.19 -0.03 0.00 0.11 0.00 0.00 31.00 31.44 3bsm h PRO 194 CO -0.73 0.55 0.28 0.87 -0.21 0.00 0.00 178.00 178.75 3bsm h LYS 195 N 0.85 1.10 -0.07 1.05 1.57 -1.32 -0.66 116.57 119.09 3bsm h LYS 195 Ca 0.29 -0.20 -0.00 0.00 -1.87 0.00 0.00 60.65 58.86 3bsm h LYS 195 Cb 0.08 -0.18 -0.00 0.00 0.08 0.00 0.00 32.23 32.21 3bsm h LYS 195 CO -0.08 0.91 0.04 1.25 -0.57 0.00 0.00 179.45 181.00 3bsm h LEU 196 N 1.08 0.09 -0.72 2.94 5.85 -1.09 -0.62 115.31 122.84 3bsm h LEU 196 Ca 0.25 -0.06 -0.09 0.00 0.84 0.00 0.00 57.88 58.81 3bsm h LEU 196 Cb 0.23 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.22 3bsm h LEU 196 CO -0.02 0.12 -0.04 -0.26 -0.34 0.00 0.00 178.44 177.91 3bsm h PHE 197 N 0.04 1.03 -0.56 1.25 0.04 -1.29 -0.94 116.94 116.52 3bsm h PHE 197 Ca 0.03 -0.18 0.00 0.00 2.80 0.00 0.00 57.97 60.62 3bsm h PHE 197 Cb 0.05 -0.27 -0.03 0.00 2.20 0.00 0.00 35.95 37.91 3bsm h PHE 197 CO -0.05 0.94 0.37 0.00 -0.60 0.00 0.00 178.31 178.96 3bsm h ALA 198 N 1.08 0.71 -0.41 2.45 0.00 -0.96 -1.41 119.26 120.72 3bsm h ALA 198 Ca 0.15 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 3bsm h ALA 198 Cb 0.56 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 3bsm h ALA 198 CO 0.03 0.15 0.23 0.00 0.00 0.00 0.00 179.25 179.66 3bsm h ALA 199 N 1.20 0.53 -0.65 0.00 0.00 -0.68 -0.70 119.26 118.96 3bsm h ALA 199 Ca 0.20 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 3bsm h ALA 199 Cb -0.08 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 3bsm h ALA 199 CO -0.04 0.05 0.29 -0.39 0.00 0.00 0.00 179.25 179.16 3bsm h VAL 200 N 0.54 1.22 -0.27 0.00 -1.51 -0.79 -1.83 116.25 113.61 3bsm h VAL 200 Ca 0.15 -0.65 -0.18 0.00 -1.23 0.00 0.00 66.70 64.79 3bsm h VAL 200 Cb 0.05 0.41 -0.00 0.00 -2.13 0.00 0.00 31.29 29.62 3bsm h VAL 200 CO -0.02 0.27 -0.53 0.03 -1.23 0.00 0.00 177.57 176.08 3bsm h ARG 201 N 0.93 0.79 -0.69 5.19 2.47 -0.90 0.31 114.38 122.47 3bsm h ARG 201 Ca 0.22 -0.49 -0.07 0.00 -1.26 0.00 0.00 59.98 58.38 3bsm h ARG 201 Cb 0.14 0.05 -0.03 0.00 -1.65 0.00 0.00 29.97 28.48 3bsm h ARG 201 CO -0.03 1.12 0.15 1.49 0.56 0.00 0.00 179.97 183.27 3bsm h GLU 202 N 0.61 1.12 0.01 0.04 4.81 -0.85 -0.85 114.58 119.47 3bsm h GLU 202 Ca 0.02 -0.28 -0.24 0.00 -0.13 0.00 0.00 59.36 58.73 3bsm h GLU 202 Cb 1.12 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 30.33 3bsm h GLU 202 CO 0.11 1.00 -1.21 -0.09 -0.73 0.00 0.00 179.01 178.09 3bsm h ARG 203 N 1.06 0.03 -0.00 1.92 2.43 -1.27 -3.40 114.38 115.14 3bsm h ARG 203 Ca 0.22 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.34 3bsm h ARG 203 Cb 0.39 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.96 3bsm h ARG 203 CO 0.01 0.90 -0.19 1.19 -1.51 0.00 0.00 179.97 180.36 3bsm n PHE 204 N -3.29 0.00 0.00 2.20 3.72 0.09 -5.10 117.46 115.08 3bsm n PHE 204 Ca -0.05 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.35 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 0.91 -0.69 0.02 1.37 0.00 -0.33 -4.66 105.19 101.81 3bsm n GLY 205 Ca 0.02 -1.74 0.12 0.00 0.00 0.00 0.00 46.02 44.42 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 -0.71 0.53 -0.02 1.61 8.00 -1.26 -4.25 116.55 120.45 3bsm n ASP 206 Ca 0.00 -0.28 -0.12 0.00 0.71 0.00 0.00 54.79 55.10 3bsm n ASP 206 Cb 0.00 0.21 0.00 0.00 -0.02 0.00 0.00 41.12 41.31 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 0.10 0.76 -3.40 -2.24 3.32 -1.99 -3.45 116.42 109.52 3bsm h ASP 207 Ca 0.00 -0.43 -0.53 0.00 0.02 0.00 0.00 57.03 56.08 3bsm h ASP 207 Cb 0.50 -0.22 0.09 0.00 0.22 0.00 0.00 39.33 39.92 3bsm h ASP 207 CO 0.00 1.19 0.87 -0.22 -1.72 0.00 0.00 179.24 179.37 3bsm s LEU 208 N -8.39 4.34 -0.17 1.55 2.96 -1.26 -4.97 118.68 112.73 3bsm s LEU 208 Ca -0.09 2.96 -0.23 0.00 -0.22 0.00 0.00 54.13 56.55 3bsm s LEU 208 Cb 0.10 -3.64 -0.02 0.00 0.50 0.00 0.00 46.19 43.13 3bsm s LEU 208 CO 0.87 -0.91 0.75 -1.00 -1.32 0.00 0.00 176.35 174.74 3bsm s HIS 209 N -0.13 3.42 -0.12 5.38 3.76 -0.97 -4.99 115.29 121.63 3bsm s HIS 209 Ca 0.62 1.14 0.03 0.00 -0.15 0.00 0.00 55.06 56.70 3bsm s HIS 209 Cb -0.48 -2.92 0.01 0.00 1.11 0.00 0.00 32.58 30.30 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 1.94 1.93 0.25 -0.90 0.11 -1.26 -0.68 120.40 121.79 3bsm s VAL 210 Ca 0.35 -0.92 0.08 0.00 -2.93 0.00 0.00 61.98 58.56 3bsm s VAL 210 Cb -0.16 -1.71 -0.04 0.00 -1.53 0.00 0.00 36.38 32.94 3bsm s VAL 210 CO 0.12 0.53 0.07 -0.76 -3.33 0.00 0.00 175.10 171.73 3bsm s LEU 211 N 0.70 3.46 -0.13 2.54 1.02 0.70 -0.59 118.68 126.38 3bsm s LEU 211 Ca -0.11 -0.46 -0.10 0.00 0.02 0.00 0.00 54.13 53.48 3bsm s LEU 211 Cb -0.16 -2.00 0.04 0.00 0.02 0.00 0.00 46.19 44.09 3bsm s LEU 211 CO 0.01 -0.00 0.34 -2.28 0.02 0.00 0.00 176.35 174.44 3bsm s HIS 212 N -2.17 -0.40 -0.22 0.29 2.46 -0.98 -0.98 115.29 113.29 3bsm s HIS 212 Ca 0.31 0.95 -0.07 0.00 0.47 0.00 0.00 55.06 56.73 3bsm s HIS 212 Cb -0.07 0.14 -0.03 0.00 -0.13 0.00 0.00 32.58 32.49 3bsm s HIS 212 CO 0.22 -0.21 0.05 0.34 -2.47 0.00 0.00 174.74 172.66 3bsm s ASP 213 N 0.53 5.18 0.00 9.88 -1.08 -1.26 -1.05 116.67 128.87 3bsm s ASP 213 Ca -0.03 -0.13 0.26 0.00 -0.52 0.00 0.00 52.55 52.13 3bsm s ASP 213 Cb -0.04 -1.91 0.67 0.00 -1.46 0.00 0.00 42.92 40.18 3bsm s ASP 213 CO -0.03 0.05 1.53 1.33 0.52 0.00 0.00 175.17 178.57 3bsm n VAL 214 N 4.35 0.05 -4.09 1.11 0.24 -0.75 -4.96 118.33 114.29 3bsm n VAL 214 Ca -0.16 -0.38 -0.32 0.00 -2.04 0.00 0.00 64.34 61.43 3bsm n VAL 214 Cb 0.52 0.87 -0.01 0.00 -1.47 0.00 0.00 33.84 33.75 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 0.69 -1.85 -4.29 6.34 8.25 -1.22 -2.66 115.22 120.49 3bsm n HIS 215 Ca 0.17 0.81 -0.37 0.00 -0.26 0.00 0.00 57.72 58.07 3bsm n HIS 215 Cb 0.46 -3.37 -0.08 0.00 1.12 0.00 0.00 29.99 28.12 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 -1.09 1.15 4.41 1.44 0.30 -4.82 115.22 112.16 3bsm n HIS 216 Ca -0.03 0.62 0.13 0.00 -2.01 0.00 0.00 57.72 56.43 3bsm n HIS 216 Cb 0.55 -1.92 0.34 0.00 0.12 0.00 0.00 29.99 29.08 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 -3.91 0.48 -4.03 -1.40 5.12 -1.09 -4.40 116.66 107.44 3bsm n ARG 217 Ca 0.02 -0.27 -0.22 0.00 -1.93 0.00 0.00 57.85 55.45 3bsm n ARG 217 Cb 0.47 -1.49 -0.04 0.00 -1.16 0.00 0.00 32.46 30.23 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 -2.71 3.71 0.41 0.55 1.02 -1.21 -5.01 118.68 115.44 3bsm s LEU 218 Ca 0.19 -0.36 0.00 0.00 0.02 0.00 0.00 54.13 53.99 3bsm s LEU 218 Cb 0.19 -2.26 -0.02 0.00 0.02 0.00 0.00 46.19 44.12 3bsm s LEU 218 CO 0.59 -0.14 0.62 0.42 0.02 0.00 0.00 176.35 177.86 3bsm s THR 219 N -2.20 4.43 0.21 5.49 -4.23 -1.26 -4.47 115.64 113.61 3bsm s THR 219 Ca 0.35 -0.48 -0.10 0.00 -1.18 0.00 0.00 61.69 60.28 3bsm s THR 219 Cb -0.07 -3.63 0.18 0.00 1.34 0.00 0.00 72.50 70.32 3bsm s THR 219 CO 0.25 -0.43 1.68 -0.65 -0.54 0.00 0.00 174.62 174.94 3bsm h PRO 220 N 0.54 0.18 0.00 3.99 0.11 -1.93 -0.96 132.00 133.93 3bsm h PRO 220 Ca -0.47 -0.01 -0.07 0.00 0.11 0.00 0.00 66.00 65.56 3bsm h PRO 220 Cb 1.24 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 3bsm h PRO 220 CO 0.59 0.12 -0.32 0.97 -0.21 0.00 0.00 178.00 179.15 3bsm h ILE 221 N 0.19 1.22 -0.18 4.15 6.09 -1.93 0.73 117.51 127.78 3bsm h ILE 221 Ca 0.32 -1.09 -0.20 0.00 -1.37 0.00 0.00 64.86 62.52 3bsm h ILE 221 Cb 0.50 1.59 0.00 0.00 0.47 0.00 0.00 36.82 39.38 3bsm h ILE 221 CO -0.46 0.31 -0.68 -0.33 -3.07 0.00 0.00 178.15 173.92 3bsm h GLU 222 N 0.00 0.72 -0.34 2.19 5.08 -1.70 -1.56 114.58 118.97 3bsm h GLU 222 Ca -0.00 -0.53 -0.10 0.00 -1.00 0.00 0.00 59.36 57.72 3bsm h GLU 222 Cb 0.56 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.89 3bsm h GLU 222 CO 0.04 1.15 -0.21 0.00 -1.00 0.00 0.00 179.01 178.99 3bsm h ALA 223 N 0.71 1.00 -0.24 3.43 0.00 -0.67 -0.25 119.26 123.26 3bsm h ALA 223 Ca -0.02 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.54 3bsm h ALA 223 Cb 1.28 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 3bsm h ALA 223 CO 0.14 0.59 0.15 0.00 0.00 0.00 0.00 179.25 180.13 3bsm h ALA 224 N 1.20 0.30 -0.32 0.00 0.00 -0.70 0.20 119.26 119.95 3bsm h ALA 224 Ca 0.09 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 54.99 3bsm h ALA 224 Cb 0.67 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 3bsm h ALA 224 CO 0.05 -0.20 0.14 -0.09 0.00 0.00 0.00 179.25 179.15 3bsm h ARG 225 N 0.31 0.29 -0.40 0.00 2.43 -0.88 -1.36 114.38 114.76 3bsm h ARG 225 Ca 0.09 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 3bsm h ARG 225 Cb -0.01 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.46 3bsm h ARG 225 CO -0.02 0.19 0.25 1.25 -1.51 0.00 0.00 179.97 180.14 3bsm h LEU 226 N 0.30 0.48 -0.49 3.80 5.85 -0.66 -1.21 115.31 123.36 3bsm h LEU 226 Ca 0.14 -0.04 0.07 0.00 0.84 0.00 0.00 57.88 58.89 3bsm h LEU 226 Cb 0.07 -0.12 -0.06 0.00 0.37 0.00 0.00 40.66 40.92 3bsm h LEU 226 CO -0.11 0.37 0.16 1.23 -0.34 0.00 0.00 178.44 179.75 3bsm h GLY 227 N 0.53 0.64 0.95 3.75 0.00 -0.13 -1.54 103.07 107.29 3bsm h GLY 227 Ca 0.15 -0.08 -0.02 0.00 0.00 0.00 0.00 47.33 47.37 3bsm h GLY 227 CO -0.03 -0.01 0.19 0.50 0.00 0.00 0.00 176.54 177.19 3bsm h LYS 228 N 0.33 0.62 -0.19 4.80 1.57 -1.00 -2.65 116.57 120.04 3bsm h LYS 228 Ca 0.24 -0.10 -0.02 0.00 -1.87 0.00 0.00 60.65 58.89 3bsm h LYS 228 Cb 0.27 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.46 3bsm h LYS 228 CO -0.26 0.55 0.00 0.00 -0.57 0.00 0.00 179.45 179.18 3bsm h ALA 229 N 1.03 1.67 -0.20 3.86 0.00 -0.63 -2.61 119.26 122.38 3bsm h ALA 229 Ca 0.14 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3bsm h ALA 229 Cb 0.15 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3bsm h ALA 229 CO -0.02 0.25 0.00 1.33 0.00 0.00 0.00 179.25 180.82 3bsm n VAL 230 N -4.39 0.25 -0.31 0.00 0.24 -0.63 -4.42 118.33 109.06 3bsm n VAL 230 Ca -0.00 -0.50 0.11 0.00 -2.04 0.00 0.00 64.34 61.90 3bsm n VAL 230 Cb 0.17 0.81 0.33 0.00 -1.47 0.00 0.00 33.84 33.68 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 3.48 0.77 0.00 7.34 5.08 -1.10 -0.29 114.58 129.86 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 0.76 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.83 3bsm h GLU 231 CO 0.00 0.51 0.00 -1.35 -1.00 0.00 0.00 179.01 177.17 3bsm h PRO 232 N 0.80 0.00 -0.02 2.33 0.11 -1.81 -2.29 132.00 131.12 3bsm h PRO 232 Ca 0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.60 3bsm h PRO 232 Cb 0.69 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.80 3bsm h PRO 232 CO -0.25 0.00 -0.01 0.66 -0.21 0.00 0.00 178.00 178.19 3bsm n TYR 233 N -2.89 0.00 -3.78 0.65 4.01 -0.12 -5.00 117.16 110.02 3bsm n TYR 233 Ca -0.01 0.00 -0.28 0.00 -0.16 0.00 0.00 57.90 57.45 3bsm n TYR 233 Cb 0.17 -0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.21 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 0.57 -1.97 -2.22 -0.72 8.25 -0.86 -4.92 115.22 113.35 3bsm n HIS 234 Ca 0.17 0.65 -0.36 0.00 -0.26 0.00 0.00 57.72 57.92 3bsm n HIS 234 Cb 0.44 -2.97 0.00 0.00 1.12 0.00 0.00 29.99 28.59 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 -5.59 3.89 0.16 2.41 1.02 -1.26 -4.72 118.68 114.58 3bsm s LEU 235 Ca 0.16 2.29 -0.12 0.00 0.02 0.00 0.00 54.13 56.48 3bsm s LEU 235 Cb -0.08 -4.39 0.04 0.00 0.02 0.00 0.00 46.19 41.78 3bsm s LEU 235 CO 0.90 -1.10 1.65 0.15 0.02 0.00 0.00 176.35 177.97 3bsm h PHE 236 N 1.64 0.94 -2.25 0.29 3.57 -1.20 -3.40 116.94 116.53 3bsm h PHE 236 Ca -0.50 -0.13 0.14 0.00 3.53 0.00 0.00 57.97 61.02 3bsm h PHE 236 Cb 1.26 -0.26 -0.13 0.00 2.79 0.00 0.00 35.95 39.61 3bsm h PHE 236 CO 0.52 0.83 0.51 1.67 -2.23 0.00 0.00 178.31 179.61 3bsm s TRP 237 N -5.23 -0.26 -0.23 0.41 -2.14 -1.25 -4.63 118.94 105.62 3bsm s TRP 237 Ca -0.13 0.07 0.01 0.00 2.66 0.00 0.00 56.10 58.71 3bsm s TRP 237 Cb 0.12 0.57 0.06 0.00 -3.10 0.00 0.00 33.47 31.12 3bsm s TRP 237 CO 0.81 -0.62 -0.06 -1.17 -2.66 0.00 0.00 176.95 173.25 3bsm s LEU 238 N -2.65 2.51 0.19 -4.66 2.96 -0.23 -2.31 118.68 114.50 3bsm s LEU 238 Ca 0.08 -1.13 0.05 0.00 -0.22 0.00 0.00 54.13 52.91 3bsm s LEU 238 Cb -0.01 -1.17 -0.04 0.00 0.50 0.00 0.00 46.19 45.47 3bsm s LEU 238 CO -0.05 -0.22 0.20 -1.83 -1.32 0.00 0.00 176.35 173.12 3bsm s GLU 239 N 1.40 3.06 -1.40 1.98 -1.05 -0.21 -1.87 118.70 120.61 3bsm s GLU 239 Ca -0.05 -0.85 -0.00 0.00 -0.15 0.00 0.00 54.97 53.92 3bsm s GLU 239 Cb -0.18 -2.71 0.00 0.00 -0.44 0.00 0.00 34.13 30.79 3bsm s GLU 239 CO -0.06 0.47 0.45 -3.47 0.95 0.00 0.00 175.26 173.59 3bsm n ASP 240 N -0.66 -0.42 -0.03 0.83 2.03 -0.72 -1.81 116.55 115.76 3bsm n ASP 240 Ca -0.08 -0.99 -0.10 0.00 0.52 0.00 0.00 54.79 54.14 3bsm n ASP 240 Cb 0.55 -3.16 -0.04 0.00 -0.72 0.00 0.00 41.12 37.76 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 -6.18 0.12 0.11 0.00 -7.23 -1.26 -3.30 120.40 102.66 3bsm s VAL 242 Ca -0.13 -1.83 -0.31 0.00 -1.81 0.00 0.00 61.98 57.90 3bsm s VAL 242 Cb 0.08 -1.92 -0.09 0.00 0.56 0.00 0.00 36.38 35.01 3bsm s VAL 242 CO 0.69 -0.54 1.57 -2.84 -0.31 0.00 0.00 175.10 173.66 3bsm s PRO 243 N -4.02 4.23 -0.27 4.82 0.02 -1.26 -4.81 135.00 133.71 3bsm s PRO 243 Ca 0.20 2.29 0.10 0.00 0.02 0.00 0.00 61.00 63.61 3bsm s PRO 243 Cb 0.07 -3.36 0.50 0.00 0.02 0.00 0.00 34.50 31.72 3bsm s PRO 243 CO -0.01 -0.63 1.43 0.00 -0.33 0.00 0.00 177.00 177.46 3bsm n ALA 244 N 4.69 4.04 0.26 -1.55 0.00 -1.26 -4.60 120.51 122.08 3bsm n ALA 244 Ca 0.14 -3.04 0.08 0.00 0.00 0.00 0.00 53.44 50.62 3bsm n ALA 244 Cb 0.40 -0.69 0.64 0.00 0.00 0.00 0.00 19.45 19.80 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 1.05 0.00 -4.30 0.00 3.07 -1.95 -3.22 114.58 109.23 3bsm h GLU 245 Ca 0.17 0.00 -0.74 0.00 -0.50 0.00 0.00 59.36 58.30 3bsm h GLU 245 Cb 1.56 0.00 -0.24 0.00 -0.84 0.00 0.00 28.75 29.23 3bsm h GLU 245 CO 0.33 0.01 -0.35 1.21 -1.40 0.00 0.00 179.01 178.81 3bsm s ASN 246 N -7.04 6.01 0.57 1.42 3.84 -1.26 -4.95 114.94 113.54 3bsm s ASN 246 Ca -0.05 -1.47 0.27 0.00 0.21 0.00 0.00 52.86 51.82 3bsm s ASN 246 Cb 0.17 -2.13 1.61 0.00 -0.55 0.00 0.00 41.25 40.35 3bsm s ASN 246 CO 0.67 -0.66 2.12 1.56 -2.79 0.00 0.00 177.10 178.00 3bsm h GLN 247 N 8.68 0.00 0.00 0.43 4.20 -1.90 -0.99 115.11 125.53 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 0.87 0.00 0.00 0.93 -0.67 0.00 0.00 178.83 179.96 3bsm h GLU 248 N 0.00 0.00 -0.34 1.46 5.08 -1.92 -2.79 114.58 116.07 3bsm h GLU 248 Ca 0.08 0.00 0.10 0.00 -1.00 0.00 0.00 59.36 58.54 3bsm h GLU 248 Cb 0.41 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 3bsm h GLU 248 CO -0.00 0.00 0.33 0.77 -1.00 0.00 0.00 179.01 179.11 3bsm h SER 249 N 0.00 0.00 1.20 1.42 0.02 -1.51 -1.12 113.55 113.56 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 0.13 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.67 3bsm h SER 249 CO 0.00 0.00 -0.24 0.18 -1.14 0.00 0.00 176.83 175.63 3bsm n LEU 250 N -3.89 0.72 -0.01 5.07 4.32 -1.05 -4.27 117.00 117.89 3bsm n LEU 250 Ca 0.05 0.43 -0.09 0.00 -0.02 0.00 0.00 56.01 56.38 3bsm n LEU 250 Cb 0.49 -0.28 -0.03 0.00 -1.62 0.00 0.00 43.42 41.99 3bsm n LEU 250 CO 0.29 -0.12 0.71 -0.09 -1.22 0.00 0.00 177.39 176.96 3bsm h ARG 251 N 0.00 -0.27 -0.75 3.23 2.43 -1.42 -1.63 114.38 115.97 3bsm h ARG 251 Ca 0.00 0.02 0.03 0.00 -0.81 0.00 0.00 59.98 59.22 3bsm h ARG 251 Cb 0.72 0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 30.29 3bsm h ARG 251 CO 0.00 -0.18 0.49 -0.07 -1.51 0.00 0.00 179.97 178.71 3bsm h LEU 252 N -0.28 0.80 -0.06 3.80 3.38 -1.77 -0.99 115.31 120.18 3bsm h LEU 252 Ca 0.11 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 3bsm h LEU 252 Cb 0.44 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.00 3bsm h LEU 252 CO -0.31 0.55 -0.00 0.40 0.09 0.00 0.00 178.44 179.17 3bsm h ILE 253 N 0.93 1.26 -0.48 1.22 2.04 -1.61 -2.57 117.51 118.29 3bsm h ILE 253 Ca 0.30 -0.79 -0.02 0.00 1.00 0.00 0.00 64.86 65.34 3bsm h ILE 253 Cb 0.03 1.67 -0.02 0.00 -0.74 0.00 0.00 36.82 37.75 3bsm h ILE 253 CO -0.08 0.22 0.20 -0.09 0.00 0.00 0.00 178.15 178.40 3bsm h ARG 254 N -0.19 0.68 0.00 2.37 9.65 -0.94 -2.01 114.38 123.94 3bsm h ARG 254 Ca 0.02 -0.09 -0.03 0.00 -1.10 0.00 0.00 59.98 58.77 3bsm h ARG 254 Cb 0.35 -0.13 -0.00 0.00 -1.39 0.00 0.00 29.97 28.79 3bsm h ARG 254 CO 0.00 0.55 -0.17 0.93 2.80 0.00 0.00 179.97 184.09 3bsm h GLU 255 N 0.68 0.00 -0.00 0.20 5.08 -1.11 -3.32 114.58 116.11 3bsm h GLU 255 Ca 0.17 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 3bsm h GLU 255 Cb 0.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.37 3bsm h GLU 255 CO -0.02 0.17 -0.55 0.72 -1.00 0.00 0.00 179.01 178.33 3bsm n HIS 256 N -3.27 0.00 -3.97 4.33 8.25 -0.82 -5.03 115.22 114.72 3bsm n HIS 256 Ca 0.01 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.38 3bsm n HIS 256 Cb 0.44 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.45 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 -2.18 0.15 -1.08 1.59 -1.32 -0.83 -4.68 115.64 107.30 3bsm s THR 257 Ca 0.08 -1.25 0.16 0.00 -1.21 0.00 0.00 61.69 59.48 3bsm s THR 257 Cb 0.12 -0.99 0.52 0.00 -1.51 0.00 0.00 72.50 70.64 3bsm s THR 257 CO 0.52 -0.69 1.44 0.35 -2.21 0.00 0.00 174.62 174.03 3bsm n THR 258 N 0.66 1.42 -2.54 5.08 -2.24 -1.26 -4.72 114.28 110.68 3bsm n THR 258 Ca -0.18 -1.18 -0.42 0.00 -2.27 0.00 0.00 64.05 59.99 3bsm n THR 258 Cb 0.59 0.29 -0.03 0.00 -2.10 0.00 0.00 70.33 69.08 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 -1.50 4.40 0.35 4.28 2.01 -1.26 -4.97 115.64 118.94 3bsm s THR 259 Ca 0.39 1.72 -0.28 0.00 0.31 0.00 0.00 61.69 63.82 3bsm s THR 259 Cb 0.24 -4.10 -0.12 0.00 0.01 0.00 0.00 72.50 68.53 3bsm s THR 259 CO 0.21 0.09 1.40 -2.65 -0.69 0.00 0.00 174.62 172.98 3bsm n PRO 260 N 4.33 2.39 -4.92 4.92 -0.02 -1.26 -4.88 135.00 135.56 3bsm n PRO 260 Ca 0.09 0.84 -0.32 0.00 -2.02 0.00 0.00 63.50 62.08 3bsm n PRO 260 Cb 0.48 -2.50 -0.14 0.00 -0.02 0.00 0.00 33.50 31.32 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 -1.31 2.58 0.01 2.45 1.43 -1.26 -1.06 118.68 121.51 3bsm s LEU 261 Ca 0.56 -0.30 0.05 0.00 -1.03 0.00 0.00 54.13 53.41 3bsm s LEU 261 Cb -0.53 -1.51 -0.02 0.00 0.03 0.00 0.00 46.19 44.16 3bsm s LEU 261 CO 0.61 0.32 -0.14 0.00 0.23 0.00 0.00 176.35 177.37 3bsm s ALA 262 N -0.75 1.17 0.18 4.21 0.00 -0.78 -0.06 121.76 125.73 3bsm s ALA 262 Ca 0.12 -0.70 -0.20 0.00 0.00 0.00 0.00 51.96 51.17 3bsm s ALA 262 Cb -0.10 -0.25 0.05 0.00 0.00 0.00 0.00 23.12 22.81 3bsm s ALA 262 CO 0.01 0.26 0.57 -1.50 0.00 0.00 0.00 175.76 175.11 3bsm s ILE 263 N -0.55 0.02 0.00 0.00 -1.16 -0.92 -1.75 121.20 116.83 3bsm s ILE 263 Ca 0.04 -0.43 0.00 0.00 -0.51 0.00 0.00 60.65 59.75 3bsm s ILE 263 Cb -0.06 -1.32 0.00 0.00 0.61 0.00 0.00 42.46 41.68 3bsm s ILE 263 CO 0.00 -0.07 0.00 0.61 -2.81 0.00 0.00 174.94 172.67 3bsm n GLY 264 N -0.36 1.01 0.32 1.50 0.00 -1.26 -0.78 105.19 105.61 3bsm n GLY 264 Ca -0.13 0.00 0.20 0.00 0.00 0.00 0.00 46.02 46.09 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 1.73 0.00 -0.29 1.61 4.11 -1.96 -1.63 114.58 118.16 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 -3.33 0.61 -2.18 -1.06 3.14 -1.26 -4.54 118.33 109.71 3bsm n VAL 266 Ca -0.03 -0.81 -0.34 0.00 -2.96 0.00 0.00 64.34 60.21 3bsm n VAL 266 Cb 0.10 0.81 0.00 0.00 -1.06 0.00 0.00 33.84 33.70 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 -1.09 2.88 -0.02 1.45 0.08 -0.68 -4.98 117.98 115.62 3bsm s PHE 267 Ca 0.25 1.54 0.01 0.00 0.12 0.00 0.00 56.93 58.86 3bsm s PHE 267 Cb 0.14 -3.10 -0.02 0.00 -0.57 0.00 0.00 43.02 39.48 3bsm s PHE 267 CO 0.20 -1.20 0.04 0.09 -0.10 0.00 0.00 175.22 174.24 3bsm n ASN 268 N -1.65 2.90 -4.07 1.36 4.13 -1.26 -4.37 115.26 112.30 3bsm n ASN 268 Ca 0.10 -0.21 -0.09 0.00 1.68 0.00 0.00 54.58 56.06 3bsm n ASN 268 Cb 0.52 1.04 -0.10 0.00 -1.54 0.00 0.00 39.78 39.69 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 -1.75 0.58 0.55 6.41 0.15 -1.26 -4.28 113.70 114.10 3bsm s SER 269 Ca -0.00 -0.82 0.29 0.00 0.70 0.00 0.00 55.95 56.12 3bsm s SER 269 Cb 0.01 0.14 1.63 0.00 -1.71 0.00 0.00 66.02 66.09 3bsm s SER 269 CO 0.05 -0.45 2.15 -0.29 1.20 0.00 0.00 173.24 175.90 3bsm h ILE 270 N 3.66 0.51 0.00 6.45 2.10 -1.93 -0.23 117.51 128.08 3bsm h ILE 270 Ca -0.34 -0.32 0.00 0.00 1.08 0.00 0.00 64.86 65.28 3bsm h ILE 270 Cb 1.17 1.21 0.00 0.00 -1.09 0.00 0.00 36.82 38.11 3bsm h ILE 270 CO 0.56 0.07 0.00 1.41 -1.08 0.00 0.00 178.15 179.11 3bsm n HIS 271 N -3.67 0.00 0.82 2.19 8.25 -1.26 -1.12 115.22 120.42 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 0.18 -0.48 0.34 0.00 1.12 0.00 0.00 29.99 31.15 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 -1.48 0.48 0.00 0.41 8.00 -0.10 -4.25 116.55 119.62 3bsm n ASP 272 Ca 0.06 0.17 0.00 0.00 0.71 0.00 0.00 54.79 55.72 3bsm n ASP 272 Cb 0.24 -0.12 0.00 0.00 -0.02 0.00 0.00 41.12 41.22 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 0.16 -0.42 0.00 2.43 -1.30 -1.31 114.38 113.94 3bsm h ARG 274 Ca 0.00 -0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 59.09 3bsm h ARG 274 Cb 0.67 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.17 3bsm h ARG 274 CO 0.00 0.11 -0.03 0.93 -1.51 0.00 0.00 179.97 179.47 3bsm h GLU 275 N 0.17 0.76 -0.73 0.20 5.08 -1.87 -1.03 114.58 117.16 3bsm h GLU 275 Ca 0.15 -0.26 0.09 0.00 -1.00 0.00 0.00 59.36 58.35 3bsm h GLU 275 Cb 0.18 -0.06 -0.07 0.00 0.50 0.00 0.00 28.75 29.30 3bsm h GLU 275 CO -0.21 0.85 0.38 -0.07 -1.00 0.00 0.00 179.01 178.96 3bsm h LEU 276 N 0.59 0.51 0.06 1.33 3.38 -1.80 -0.86 115.31 118.51 3bsm h LEU 276 Ca 0.12 0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.14 3bsm h LEU 276 Cb 0.53 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.25 3bsm h LEU 276 CO 0.03 0.29 -0.03 0.40 0.09 0.00 0.00 178.44 179.22 3bsm h ILE 277 N 0.64 1.27 0.00 1.22 2.04 -1.11 -0.20 117.51 121.37 3bsm h ILE 277 Ca 0.36 -1.31 -0.03 0.00 1.00 0.00 0.00 64.86 64.88 3bsm h ILE 277 Cb 0.36 2.10 -0.00 0.00 -0.74 0.00 0.00 36.82 38.54 3bsm h ILE 277 CO -0.26 0.32 -0.13 1.56 0.00 0.00 0.00 178.15 179.64 3bsm h GLN 278 N -0.68 0.00 -0.02 2.37 4.20 -1.01 -1.20 115.11 118.77 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 0.58 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.36 3bsm h GLN 278 CO 0.01 0.13 -0.01 0.09 -0.67 0.00 0.00 178.83 178.38 3bsm n ASN 279 N -3.80 1.77 -3.59 1.46 3.02 -0.34 -4.96 115.26 108.82 3bsm n ASN 279 Ca -0.02 -1.57 -0.21 0.00 -0.03 0.00 0.00 54.58 52.74 3bsm n ASN 279 Cb 0.23 0.01 0.07 0.00 -0.61 0.00 0.00 39.78 39.48 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 0.37 -6.48 0.00 3.52 6.02 -0.45 -4.92 117.38 115.43 3bsm n GLN 280 Ca 0.18 0.76 0.12 0.00 -0.01 0.00 0.00 57.00 58.05 3bsm n GLN 280 Cb 0.40 -5.68 0.25 0.00 1.02 0.00 0.00 30.24 26.23 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 -4.46 0.00 -4.09 1.08 8.01 -0.10 -4.94 117.44 112.94 3bsm n TRP 281 Ca -0.17 0.00 -0.08 0.00 -1.31 0.00 0.00 57.50 55.94 3bsm n TRP 281 Cb 0.63 -0.07 -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 0.18 -0.02 -0.99 -4.36 -1.25 -4.78 121.20 107.50 3bsm s ILE 282 Ca 0.23 -1.79 0.10 0.00 -0.26 0.00 0.00 60.65 58.93 3bsm s ILE 282 Cb 0.19 -1.68 -0.16 0.00 1.25 0.00 0.00 42.46 42.07 3bsm s ILE 282 CO 0.53 -0.80 0.20 0.47 0.24 0.00 0.00 174.94 175.59 3bsm n ASP 283 N 0.03 2.64 -3.82 4.36 8.00 0.91 -4.74 116.55 123.93 3bsm n ASP 283 Ca -0.11 0.00 -0.13 0.00 0.71 0.00 0.00 54.79 55.25 3bsm n ASP 283 Cb 0.62 1.38 -0.15 0.00 -0.02 0.00 0.00 41.12 42.95 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 -2.66 -0.01 -0.20 1.24 2.02 -0.96 -0.88 117.35 115.91 3bsm s TYR 284 Ca -0.04 0.10 -0.07 0.00 -0.37 0.00 0.00 57.07 56.68 3bsm s TYR 284 Cb 0.06 -0.09 -0.04 0.00 -0.40 0.00 0.00 41.96 41.49 3bsm s TYR 284 CO 0.43 -0.05 0.07 -1.50 -1.57 0.00 0.00 175.55 172.92 3bsm s ILE 285 N 0.47 4.71 -1.58 2.71 1.10 -0.52 -2.18 121.20 125.91 3bsm s ILE 285 Ca -0.04 -0.06 0.23 0.00 -0.51 0.00 0.00 60.65 60.27 3bsm s ILE 285 Cb -0.06 -3.14 -0.06 0.00 0.15 0.00 0.00 42.46 39.36 3bsm s ILE 285 CO -0.01 0.43 1.10 0.54 -2.11 0.00 0.00 174.94 174.88 3bsm n ARG 286 N 3.81 0.67 -1.65 3.50 5.12 0.04 -1.29 116.66 126.86 3bsm n ARG 286 Ca -0.16 -0.54 -0.52 0.00 -1.93 0.00 0.00 57.85 54.70 3bsm n ARG 286 Cb 0.52 -1.49 -0.06 0.00 -1.16 0.00 0.00 32.46 30.27 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 -0.70 1.47 -3.20 5.56 1.56 -0.79 -1.55 117.12 119.47 3bsm n MET 287 Ca 0.07 0.53 -0.24 0.00 -0.27 0.00 0.00 57.70 57.80 3bsm n MET 287 Cb 0.40 -2.24 -0.01 0.00 2.15 0.00 0.00 33.22 33.52 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 1.99 3.43 0.17 2.12 0.04 -1.26 -4.59 135.00 136.90 3bsm s PRO 288 Ca 0.89 -0.27 -0.21 0.00 0.04 0.00 0.00 61.00 61.45 3bsm s PRO 288 Cb -0.90 -2.60 0.08 0.00 0.04 0.00 0.00 34.50 31.12 3bsm s PRO 288 CO 0.52 0.03 1.61 -0.07 0.04 0.00 0.00 177.00 179.13 3bsm h LEU 289 N 0.62 -0.94 -0.78 -3.56 3.38 -1.90 0.15 115.31 112.28 3bsm h LEU 289 Ca -0.49 0.18 -0.05 0.00 0.09 0.00 0.00 57.88 57.61 3bsm h LEU 289 Cb 1.22 0.46 -0.03 0.00 0.09 0.00 0.00 40.66 42.40 3bsm h LEU 289 CO 0.61 -0.29 0.29 0.71 0.09 0.00 0.00 178.44 179.85 3bsm h THR 290 N -0.21 1.26 -0.00 0.22 1.35 -1.93 0.79 112.91 114.40 3bsm h THR 290 Ca 0.19 -0.86 0.00 0.00 -0.55 0.00 0.00 66.41 65.19 3bsm h THR 290 Cb 0.51 0.35 0.00 0.00 -1.73 0.00 0.00 68.15 67.28 3bsm h THR 290 CO -0.53 0.35 -0.40 1.41 -0.25 0.00 0.00 175.52 176.10 3bsm n HIS 291 N -4.27 0.00 -1.41 4.73 8.25 -1.12 -3.72 115.22 117.67 3bsm n HIS 291 Ca 0.07 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.43 3bsm n HIS 291 Cb 0.20 -0.22 0.19 0.00 1.12 0.00 0.00 29.99 31.29 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 1.44 4.84 2.31 -1.41 0.00 0.03 -4.13 105.19 108.28 3bsm n GLY 292 Ca 0.08 -1.22 0.00 0.00 0.00 0.00 0.00 46.02 44.88 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 0.53 4.02 -0.02 0.00 -1.22 -4.20 105.19 103.18 3bsm n GLY 293 Ca 0.41 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.43 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 -2.44 -1.96 0.25 -0.02 0.00 0.25 -4.04 105.19 97.24 3bsm n GLY 294 Ca 0.00 -1.69 -0.06 0.00 0.00 0.00 0.00 46.02 44.27 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 1.16 -0.20 -0.61 1.08 -1.88 -1.07 117.51 116.00 3bsm h ILE 295 Ca 0.00 -0.30 0.03 0.00 -0.39 0.00 0.00 64.86 64.20 3bsm h ILE 295 Cb 0.00 0.26 -0.03 0.00 -3.07 0.00 0.00 36.82 33.98 3bsm h ILE 295 CO 0.00 0.16 0.04 0.74 -0.69 0.00 0.00 178.15 178.39 3bsm h THR 296 N 0.84 0.91 -0.14 -0.27 2.02 -1.92 -1.70 112.91 112.64 3bsm h THR 296 Ca 0.23 -0.04 -0.15 0.00 0.77 0.00 0.00 66.41 67.21 3bsm h THR 296 Cb -0.09 0.78 0.01 0.00 -1.74 0.00 0.00 68.15 67.10 3bsm h THR 296 CO -0.05 0.02 -0.51 0.00 0.37 0.00 0.00 175.52 175.35 3bsm h ALA 297 N 1.15 0.25 0.00 6.16 0.00 -1.66 -3.25 119.26 121.90 3bsm h ALA 297 Ca 0.09 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.50 3bsm h ALA 297 Cb 0.09 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3bsm h ALA 297 CO -0.12 0.44 0.00 1.98 0.00 0.00 0.00 179.25 181.54 3bsm h MET 298 N 0.23 0.00 -0.56 0.00 -1.53 -1.16 -2.20 114.93 109.71 3bsm h MET 298 Ca -0.02 0.00 -0.11 0.00 -3.44 0.00 0.00 59.70 56.13 3bsm h MET 298 Cb 1.14 0.00 -0.02 0.00 -0.55 0.00 0.00 31.60 32.17 3bsm h MET 298 CO 0.11 0.00 -0.06 -0.09 0.14 0.00 0.00 176.91 177.01 3bsm h ARG 299 N 0.00 1.03 -0.23 0.39 2.43 -1.34 -0.50 114.38 116.16 3bsm h ARG 299 Ca 0.00 -0.35 -0.19 0.00 -0.81 0.00 0.00 59.98 58.63 3bsm h ARG 299 Cb 0.54 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.02 3bsm h ARG 299 CO 0.00 1.04 -0.61 0.00 -1.51 0.00 0.00 179.97 178.89 3bsm h ARG 300 N 0.92 0.79 -0.65 0.20 3.08 -1.49 -1.44 114.38 115.79 3bsm h ARG 300 Ca 0.15 -0.54 -0.08 0.00 0.07 0.00 0.00 59.98 59.58 3bsm h ARG 300 Cb 0.62 0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.72 3bsm h ARG 300 CO 0.04 1.16 0.08 -0.39 -1.07 0.00 0.00 179.97 179.80 3bsm h VAL 301 N 0.59 1.26 -0.58 2.04 -1.51 -1.27 -0.77 116.25 116.01 3bsm h VAL 301 Ca -0.00 -1.06 -0.05 0.00 -1.23 0.00 0.00 66.70 64.35 3bsm h VAL 301 Cb 1.21 0.67 -0.02 0.00 -2.13 0.00 0.00 31.29 31.02 3bsm h VAL 301 CO 0.13 0.40 0.17 0.00 -1.23 0.00 0.00 177.57 177.04 3bsm h ALA 302 N 1.06 0.76 -0.03 5.19 0.00 -1.01 -0.02 119.26 125.22 3bsm h ALA 302 Ca 0.20 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 54.91 3bsm h ALA 302 Cb 0.47 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3bsm h ALA 302 CO 0.02 0.43 -0.04 -0.44 0.00 0.00 0.00 179.25 179.22 3bsm h ASP 303 N 0.82 -0.12 -0.42 0.00 3.32 -0.92 -0.81 116.42 118.29 3bsm h ASP 303 Ca 0.19 0.02 0.03 0.00 0.02 0.00 0.00 57.03 57.29 3bsm h ASP 303 Cb 0.30 0.06 -0.03 0.00 0.22 0.00 0.00 39.33 39.88 3bsm h ASP 303 CO -0.00 -0.06 0.22 0.25 -1.72 0.00 0.00 179.24 177.92 3bsm h LEU 304 N -0.06 0.33 -0.92 1.55 5.85 -0.88 -2.55 115.31 118.63 3bsm h LEU 304 Ca 0.03 0.02 0.07 0.00 0.84 0.00 0.00 57.88 58.84 3bsm h LEU 304 Cb 0.10 -0.05 -0.07 0.00 0.37 0.00 0.00 40.66 41.01 3bsm h LEU 304 CO -0.06 0.23 0.57 0.00 -0.34 0.00 0.00 178.44 178.85 3bsm h ALA 305 N 1.21 1.29 0.00 1.25 0.00 -0.71 -1.82 119.26 120.48 3bsm h ALA 305 Ca 0.17 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 3bsm h ALA 305 Cb 0.07 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 3bsm h ALA 305 CO -0.11 0.30 -0.07 0.66 0.00 0.00 0.00 179.25 180.03 3bsm h SER 306 N 1.02 0.00 0.81 0.00 4.64 -0.72 -0.35 113.55 118.95 3bsm h SER 306 Ca 0.41 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.73 3bsm h SER 306 Cb 0.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.32 3bsm h SER 306 CO -0.19 0.07 0.00 -0.07 -0.87 0.00 0.00 176.83 175.77 3bsm h LEU 307 N 0.00 0.00 -2.90 5.97 3.38 -1.25 -3.19 115.31 117.31 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 0.18 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 3bsm h LEU 307 CO 0.01 0.00 -0.27 -1.22 0.09 0.00 0.00 178.44 177.05 3bsm n TYR 308 N -2.98 0.00 -1.09 1.13 4.01 -0.26 -4.98 117.16 112.99 3bsm n TYR 308 Ca 0.00 -1.03 -0.03 0.00 -0.16 0.00 0.00 57.90 56.69 3bsm n TYR 308 Cb 0.25 -0.17 -0.01 0.00 -0.31 0.00 0.00 39.34 39.10 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 -1.08 0.00 -3.02 -0.72 8.25 -1.07 -4.89 115.22 112.69 3bsm n HIS 309 Ca 0.15 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.21 3bsm n HIS 309 Cb 0.69 -1.45 -0.06 0.00 1.12 0.00 0.00 29.99 30.29 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 -1.65 4.46 0.30 1.59 1.01 -0.49 -4.93 120.40 120.68 3bsm s VAL 310 Ca 0.00 1.63 0.10 0.00 0.00 0.00 0.00 61.98 63.71 3bsm s VAL 310 Cb 0.00 -4.11 -0.05 0.00 0.00 0.00 0.00 36.38 32.23 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 2.08 0.33 2.72 0.52 -0.06 -3.83 118.95 119.72 3bsm s ARG 311 Ca 0.35 -1.62 -0.26 0.00 -0.52 0.00 0.00 55.73 53.68 3bsm s ARG 311 Cb -0.22 -1.99 -0.09 0.00 0.52 0.00 0.00 34.95 33.16 3bsm s ARG 311 CO 0.25 0.27 1.00 0.95 0.02 0.00 0.00 175.30 177.78 3bsm s THR 312 N -2.44 3.94 -0.40 0.02 -4.23 -0.32 -1.45 115.64 110.76 3bsm s THR 312 Ca 0.33 1.64 0.10 0.00 -1.18 0.00 0.00 61.69 62.58 3bsm s THR 312 Cb -0.04 -3.93 0.35 0.00 1.34 0.00 0.00 72.50 70.23 3bsm s THR 312 CO 0.19 0.16 0.96 0.61 -0.54 0.00 0.00 174.62 176.01 3bsm n GLY 313 N 0.67 2.00 3.57 3.99 0.00 -0.41 -0.89 105.19 114.12 3bsm n GLY 313 Ca 0.02 -0.82 -0.59 0.00 0.00 0.00 0.00 46.02 44.63 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 1.12 -2.20 1.61 0.99 -1.23 -4.23 117.46 113.72 3bsm n PHE 314 Ca 0.13 0.93 -0.42 0.00 -0.00 0.00 0.00 57.45 58.09 3bsm n PHE 314 Cb 0.71 -2.20 -0.03 0.00 -1.00 0.00 0.00 39.48 36.96 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 0.81 3.02 -0.44 1.38 5.65 -0.60 -3.04 115.29 122.08 3bsm s HIS 315 Ca 0.92 0.87 0.09 0.00 0.25 0.00 0.00 55.06 57.19 3bsm s HIS 315 Cb -1.21 -3.67 0.31 0.00 -1.18 0.00 0.00 32.58 26.82 3bsm s HIS 315 CO 0.59 -2.43 0.71 0.41 -0.65 0.00 0.00 174.74 173.37 3bsm n GLY 316 N 3.58 3.91 3.77 1.59 0.00 -1.26 -4.69 105.19 112.09 3bsm n GLY 316 Ca 0.12 -1.98 -0.29 0.00 0.00 0.00 0.00 46.02 43.87 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 0.56 -1.70 0.17 1.61 -0.04 -1.26 -3.29 135.00 131.05 3bsm n PRO 317 Ca 0.26 -1.99 0.05 0.00 -0.04 0.00 0.00 63.50 61.77 3bsm n PRO 317 Cb 0.55 -1.43 0.24 0.00 -0.04 0.00 0.00 33.50 32.82 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 -1.98 0.88 0.00 0.52 1.35 -1.92 -3.08 112.91 108.68 3bsm h THR 318 Ca -0.43 -1.76 0.00 0.00 -0.55 0.00 0.00 66.41 63.68 3bsm h THR 318 Cb 1.20 2.09 0.00 0.00 -1.73 0.00 0.00 68.15 69.71 3bsm h THR 318 CO 0.30 0.41 0.00 -0.90 -0.25 0.00 0.00 175.52 175.08 3bsm n ASP 319 N -3.43 0.00 -4.17 5.36 5.75 -1.26 -4.26 116.55 114.54 3bsm n ASP 319 Ca 0.00 -1.07 -0.35 0.00 -0.01 0.00 0.00 54.79 53.37 3bsm n ASP 319 Cb 0.58 0.00 -0.14 0.00 -1.03 0.00 0.00 41.12 40.53 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 -1.15 3.65 1.01 -2.12 1.02 -1.17 -4.65 118.68 115.27 3bsm s LEU 320 Ca 0.04 -1.16 -0.11 0.00 0.02 0.00 0.00 54.13 52.92 3bsm s LEU 320 Cb 0.02 -1.68 0.19 0.00 0.02 0.00 0.00 46.19 44.74 3bsm s LEU 320 CO 0.03 -0.22 1.08 -1.54 0.02 0.00 0.00 176.35 175.72 3bsm n SER 321 N 4.62 -0.42 0.33 2.29 3.41 -1.26 -4.69 113.62 117.89 3bsm n SER 321 Ca -0.14 0.22 0.20 0.00 -0.26 0.00 0.00 58.87 58.89 3bsm n SER 321 Cb 0.44 -1.40 1.04 0.00 -0.26 0.00 0.00 64.21 64.03 3bsm n SER 321 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 3bsm h PRO 322 N -2.16 0.00 0.26 4.33 0.11 -1.92 -0.18 132.00 132.44 3bsm h PRO 322 Ca -0.49 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.61 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 0.43 0.00 -0.12 0.28 -0.21 0.00 0.00 178.00 178.38 3bsm h VAL 323 N 0.00 0.79 -0.67 3.15 2.07 -1.92 0.18 116.25 119.85 3bsm h VAL 323 Ca 0.01 -0.39 0.01 0.00 0.82 0.00 0.00 66.70 67.15 3bsm h VAL 323 Cb 0.29 1.01 -0.03 0.00 -1.52 0.00 0.00 31.29 31.04 3bsm h VAL 323 CO -0.00 0.08 0.44 0.00 0.02 0.00 0.00 177.57 178.12 3bsm h LEU 325 N 0.91 0.93 -0.41 0.00 5.85 -1.12 0.31 115.31 121.79 3bsm h LEU 325 Ca 0.25 -0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.89 3bsm h LEU 325 Cb -0.10 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 40.68 3bsm h LEU 325 CO -0.05 0.68 0.05 1.23 -0.34 0.00 0.00 178.44 180.01 3bsm h GLY 326 N 1.10 0.74 1.26 3.75 0.00 -0.26 -0.33 103.07 109.34 3bsm h GLY 326 Ca 0.30 -0.51 -0.07 0.00 0.00 0.00 0.00 47.33 47.05 3bsm h GLY 326 CO -0.07 0.47 0.06 0.00 0.00 0.00 0.00 176.54 177.01 3bsm h ALA 327 N 0.92 1.07 -0.72 3.60 0.00 -0.99 -2.21 119.26 120.92 3bsm h ALA 327 Ca 0.12 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 3bsm h ALA 327 Cb 0.40 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 3bsm h ALA 327 CO 0.01 0.60 0.34 0.00 0.00 0.00 0.00 179.25 180.20 3bsm h ALA 328 N 1.21 0.93 -0.57 0.00 0.00 -0.01 -0.64 119.26 120.19 3bsm h ALA 328 Ca 0.17 -0.15 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 3bsm h ALA 328 Cb 0.41 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 3bsm h ALA 328 CO 0.01 0.50 -0.01 0.82 0.00 0.00 0.00 179.25 180.58 3bsm h ILE 329 N 1.02 1.26 -0.17 0.00 2.04 -0.73 0.26 117.51 121.19 3bsm h ILE 329 Ca 0.25 -1.12 -0.01 0.00 1.00 0.00 0.00 64.86 64.97 3bsm h ILE 329 Cb 0.13 0.83 -0.01 0.00 -0.74 0.00 0.00 36.82 37.03 3bsm h ILE 329 CO -0.03 0.40 0.05 0.45 0.00 0.00 0.00 178.15 179.03 3bsm h HIS 330 N 0.91 0.27 -0.21 1.37 3.86 -1.04 -0.75 115.15 119.55 3bsm h HIS 330 Ca 0.16 -0.03 0.03 0.00 -1.16 0.00 0.00 60.37 59.38 3bsm h HIS 330 Cb 0.54 -0.08 -0.03 0.00 1.06 0.00 0.00 27.41 28.90 3bsm h HIS 330 CO 0.04 0.36 0.00 0.35 0.86 0.00 0.00 177.93 179.54 3bsm h PHE 331 N 0.10 -0.01 -0.28 2.45 3.57 -0.79 -1.81 116.94 120.17 3bsm h PHE 331 Ca 0.05 0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.60 3bsm h PHE 331 Cb 0.22 0.03 -0.01 0.00 2.79 0.00 0.00 35.95 38.98 3bsm h PHE 331 CO -0.00 -0.03 0.19 -0.44 -2.23 0.00 0.00 178.31 175.80 3bsm h ASP 332 N 0.07 0.21 0.22 0.41 3.32 -0.32 0.61 116.42 120.94 3bsm h ASP 332 Ca 0.10 -0.00 -0.14 0.00 0.02 0.00 0.00 57.03 57.00 3bsm h ASP 332 Cb 0.12 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 3bsm h ASP 332 CO -0.16 0.15 -0.54 0.74 -1.72 0.00 0.00 179.24 177.71 3bsm h THR 333 N 0.25 1.35 0.00 0.35 2.02 -0.28 -3.36 112.91 113.23 3bsm h THR 333 Ca 0.12 -1.81 -0.19 0.00 0.77 0.00 0.00 66.41 65.29 3bsm h THR 333 Cb 0.16 1.85 -0.03 0.00 -1.74 0.00 0.00 68.15 68.38 3bsm h THR 333 CO -0.02 0.55 -1.16 1.87 0.37 0.00 0.00 175.52 177.12 3bsm n TRP 334 N -3.94 0.97 -1.70 3.16 -0.00 -0.82 -0.30 117.44 114.82 3bsm n TRP 334 Ca -0.02 0.42 -0.62 0.00 -0.00 0.00 0.00 57.50 57.28 3bsm n TRP 334 Cb 0.58 -1.04 -0.08 0.00 -0.00 0.00 0.00 31.31 30.77 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 -4.46 0.12 -0.28 5.87 3.14 0.14 -4.24 118.33 118.62 3bsm n VAL 335 Ca -0.28 -0.02 -0.06 0.00 -2.96 0.00 0.00 64.34 61.02 3bsm n VAL 335 Cb 0.61 -0.76 0.06 0.00 -1.06 0.00 0.00 33.84 32.69 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 5.65 1.09 -2.26 1.45 0.13 -1.92 -3.19 132.00 132.95 3bsm h PRO 336 Ca -0.46 -0.16 -0.71 0.00 -0.87 0.00 0.00 66.00 63.81 3bsm h PRO 336 Cb 1.35 -0.20 -0.20 0.00 0.13 0.00 0.00 31.00 32.08 3bsm h PRO 336 CO 0.93 0.84 1.33 0.27 -0.23 0.00 0.00 178.00 181.14 3bsm n ASN 337 N -4.39 7.40 -4.75 1.44 6.94 -1.26 -4.97 115.26 115.67 3bsm n ASN 337 Ca 0.07 -3.42 -0.41 0.00 -0.02 0.00 0.00 54.58 50.80 3bsm n ASN 337 Cb 0.13 -1.23 -0.04 0.00 -2.36 0.00 0.00 39.78 36.28 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 -2.64 3.59 -0.02 -2.53 5.36 -1.21 -1.17 117.98 119.37 3bsm s PHE 338 Ca 0.51 1.65 -0.03 0.00 -0.96 0.00 0.00 56.93 58.10 3bsm s PHE 338 Cb 0.28 -3.28 -0.01 0.00 -0.34 0.00 0.00 43.02 39.67 3bsm s PHE 338 CO -0.19 -0.57 -0.06 0.41 -1.46 0.00 0.00 175.22 173.35 3bsm n GLY 339 N 1.60 -0.25 3.52 13.12 0.00 -0.07 -4.67 105.19 118.44 3bsm n GLY 339 Ca 0.01 -0.05 -0.08 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.44 0.00 -0.11 -0.61 2.07 -0.69 -4.92 121.20 115.50 3bsm s ILE 340 Ca -0.05 -0.05 0.03 0.00 -1.41 0.00 0.00 60.65 59.17 3bsm s ILE 340 Cb 0.01 -1.08 0.00 0.00 0.13 0.00 0.00 42.46 41.52 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 -3.15 2.89 0.26 3.50 2.00 -0.62 -3.55 119.66 120.99 3bsm s GLN 341 Ca 0.05 -0.82 -0.30 0.00 -2.00 0.00 0.00 55.36 52.30 3bsm s GLN 341 Cb -0.01 -2.25 -0.09 0.00 0.80 0.00 0.00 33.01 31.46 3bsm s GLN 341 CO -0.08 0.10 1.10 -2.00 -0.50 0.00 0.00 175.29 173.90 3bsm s GLU 342 N 0.54 4.64 -0.20 1.67 2.12 -1.17 -2.37 118.70 123.93 3bsm s GLU 342 Ca -0.14 1.79 -0.02 0.00 0.36 0.00 0.00 54.97 56.95 3bsm s GLU 342 Cb -0.17 -3.21 0.06 0.00 0.26 0.00 0.00 34.13 31.07 3bsm s GLU 342 CO 0.05 0.19 0.01 -1.58 -0.54 0.00 0.00 175.26 173.39 3bsm s HIS 343 N -0.99 1.45 -0.43 5.30 5.65 -1.04 -4.38 115.29 120.85 3bsm s HIS 343 Ca 0.45 -1.12 0.03 0.00 0.25 0.00 0.00 55.06 54.67 3bsm s HIS 343 Cb -0.31 -1.20 0.12 0.00 -1.18 0.00 0.00 32.58 30.01 3bsm s HIS 343 CO 0.40 -0.66 0.17 -1.64 -0.65 0.00 0.00 174.74 172.37 3bsm s MET 344 N 1.71 1.64 0.17 2.88 -1.94 -1.21 -4.45 119.30 118.11 3bsm s MET 344 Ca -0.02 -2.19 -0.32 0.00 -1.71 0.00 0.00 55.69 51.44 3bsm s MET 344 Cb -0.17 -3.07 -0.17 0.00 2.01 0.00 0.00 34.83 33.43 3bsm s MET 344 CO -0.07 -1.05 0.92 -2.30 -0.01 0.00 0.00 175.02 172.51 3bsm n PRO 345 N 3.66 0.63 -1.98 2.03 -0.02 -1.26 -4.36 135.00 133.70 3bsm n PRO 345 Ca 0.05 0.22 -0.29 0.00 -2.02 0.00 0.00 63.50 61.46 3bsm n PRO 345 Cb 0.36 -1.55 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 -0.54 3.16 0.55 6.00 3.76 -1.26 -4.94 115.29 122.02 3bsm s HIS 346 Ca 0.71 0.85 -0.17 0.00 -0.15 0.00 0.00 55.06 56.31 3bsm s HIS 346 Cb -0.92 -3.17 -0.06 0.00 1.11 0.00 0.00 32.58 29.54 3bsm s HIS 346 CO 0.55 -1.34 1.03 0.95 -0.85 0.00 0.00 174.74 175.08 3bsm s THR 347 N -3.37 4.04 0.45 1.30 -4.23 -1.26 -4.86 115.64 107.70 3bsm s THR 347 Ca 0.59 1.01 0.16 0.00 -1.18 0.00 0.00 61.69 62.27 3bsm s THR 347 Cb -0.11 -3.50 0.34 0.00 1.34 0.00 0.00 72.50 70.58 3bsm s THR 347 CO 0.49 -0.53 1.97 0.44 -0.54 0.00 0.00 174.62 176.46 3bsm h ASP 348 N 0.74 0.31 -0.57 3.99 3.45 -1.97 0.06 116.42 122.42 3bsm h ASP 348 Ca -0.47 0.01 -0.11 0.00 0.43 0.00 0.00 57.03 56.89 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 -0.06 -0.33 -1.57 0.00 0.00 179.24 178.04 3bsm h GLU 349 N 0.34 1.06 -0.11 3.56 3.07 -1.92 -0.67 114.58 119.91 3bsm h GLU 349 Ca 0.29 -0.37 -0.00 0.00 -0.50 0.00 0.00 59.36 58.78 3bsm h GLU 349 Cb 0.67 -0.08 -0.00 0.00 -0.84 0.00 0.00 28.75 28.49 3bsm h GLU 349 CO -0.07 1.06 0.05 1.15 -1.40 0.00 0.00 179.01 179.80 3bsm h THR 350 N 0.95 1.11 -0.10 1.13 2.02 -0.94 -1.31 112.91 115.76 3bsm h THR 350 Ca 0.16 -0.32 -0.02 0.00 0.77 0.00 0.00 66.41 67.00 3bsm h THR 350 Cb 0.63 1.13 -0.01 0.00 -1.74 0.00 0.00 68.15 68.16 3bsm h THR 350 CO 0.04 0.10 -0.03 0.44 0.37 0.00 0.00 175.52 176.44 3bsm h ASP 351 N 0.05 0.13 -0.04 4.18 3.32 -1.10 -1.19 116.42 121.77 3bsm h ASP 351 Ca 0.04 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.06 3bsm h ASP 351 Cb 0.11 -0.03 -0.00 0.00 0.22 0.00 0.00 39.33 39.63 3bsm h ASP 351 CO -0.00 0.19 -0.02 0.00 -1.72 0.00 0.00 179.24 177.68 3bsm h ALA 352 N 1.83 0.06 0.00 3.45 0.00 -0.69 -2.96 119.26 120.95 3bsm h ALA 352 Ca 0.03 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 3bsm h ALA 352 Cb 0.15 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 3bsm h ALA 352 CO 0.01 -0.22 -0.10 0.28 0.00 0.00 0.00 179.25 179.22 3bsm h VAL 353 N -0.30 1.02 -2.30 0.00 2.07 -0.82 -3.28 116.25 112.64 3bsm h VAL 353 Ca 0.01 -0.34 -0.61 0.00 0.82 0.00 0.00 66.70 66.57 3bsm h VAL 353 Cb 0.43 1.19 -0.41 0.00 -1.52 0.00 0.00 31.29 30.98 3bsm h VAL 353 CO 0.01 0.10 -0.51 0.49 0.02 0.00 0.00 177.57 177.67 3bsm n PHE 354 N -4.35 3.57 -1.64 1.57 3.72 -0.49 -0.61 117.46 119.23 3bsm n PHE 354 Ca -0.03 -4.09 -0.40 0.00 -0.05 0.00 0.00 57.45 52.89 3bsm n PHE 354 Cb 0.18 -0.61 0.02 0.00 -0.94 0.00 0.00 39.48 38.13 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 0.96 1.40 -3.57 -1.08 -0.04 -1.17 -4.69 135.00 126.81 3bsm n PRO 355 Ca 0.29 0.51 -0.11 0.00 -0.04 0.00 0.00 63.50 64.15 3bsm n PRO 355 Cb 0.40 -2.19 -0.04 0.00 -0.04 0.00 0.00 33.50 31.63 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 -1.32 -0.31 -1.66 0.54 -3.43 -1.26 -1.39 115.29 106.47 3bsm s HIS 356 Ca 0.66 0.03 0.18 0.00 -0.80 0.00 0.00 55.06 55.13 3bsm s HIS 356 Cb -0.50 0.34 0.44 0.00 -1.43 0.00 0.00 32.58 31.44 3bsm s HIS 356 CO 0.54 -0.74 1.36 -0.40 -2.00 0.00 0.00 174.74 173.51 3bsm n ASP 357 N -0.24 3.36 -4.80 7.38 3.85 -0.73 -4.95 116.55 120.42 3bsm n ASP 357 Ca -0.16 -1.96 -0.36 0.00 -0.71 0.00 0.00 54.79 51.59 3bsm n ASP 357 Cb 0.64 -0.32 -0.06 0.00 -1.35 0.00 0.00 41.12 40.03 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 -1.09 3.64 0.07 2.11 -0.85 -1.26 -3.95 117.35 116.03 3bsm s TYR 358 Ca 0.35 1.55 0.05 0.00 -0.52 0.00 0.00 57.07 58.50 3bsm s TYR 358 Cb 0.19 -2.75 -0.03 0.00 0.38 0.00 0.00 41.96 39.76 3bsm s TYR 358 CO 0.25 0.26 -0.13 -0.98 -1.52 0.00 0.00 175.55 173.44 3bsm s ARG 359 N -2.08 0.78 -0.24 -3.49 1.70 -0.84 -4.96 118.95 109.82 3bsm s ARG 359 Ca 0.47 -0.95 -0.09 0.00 -0.47 0.00 0.00 55.73 54.69 3bsm s ARG 359 Cb -0.17 -0.73 -0.04 0.00 -0.57 0.00 0.00 34.95 33.44 3bsm s ARG 359 CO 0.22 0.16 0.12 0.12 -1.08 0.00 0.00 175.30 174.84 3bsm s PHE 360 N -1.39 3.21 -0.06 5.89 5.36 -1.26 -0.25 117.98 129.47 3bsm s PHE 360 Ca -0.02 -0.01 -0.02 0.00 -0.96 0.00 0.00 56.93 55.91 3bsm s PHE 360 Cb -0.09 -2.25 0.04 0.00 -0.34 0.00 0.00 43.02 40.37 3bsm s PHE 360 CO 0.02 -0.10 0.12 -1.21 -1.46 0.00 0.00 175.22 172.59 3bsm s GLU 361 N 1.27 0.02 -1.37 10.12 2.02 0.90 -4.92 118.70 126.74 3bsm s GLU 361 Ca 0.06 0.41 -0.02 0.00 0.02 0.00 0.00 54.97 55.45 3bsm s GLU 361 Cb -0.14 -0.27 -0.00 0.00 0.10 0.00 0.00 34.13 33.81 3bsm s GLU 361 CO 0.05 -0.24 0.49 -3.47 0.02 0.00 0.00 175.26 172.11 3bsm n ASP 362 N 4.77 -0.78 0.00 -0.19 2.03 -1.26 -1.57 116.55 119.54 3bsm n ASP 362 Ca -0.15 -0.98 0.00 0.00 0.52 0.00 0.00 54.79 54.18 3bsm n ASP 362 Cb 0.50 -3.25 0.00 0.00 -0.72 0.00 0.00 41.12 37.66 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 -1.89 1.81 3.38 0.27 0.00 -1.24 -4.65 105.19 102.87 3bsm n GLY 363 Ca -0.30 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.51 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 -3.36 1.93 0.16 1.61 3.76 -0.61 -2.60 115.29 116.18 3bsm s HIS 364 Ca 0.00 -0.47 0.03 0.00 -0.15 0.00 0.00 55.06 54.46 3bsm s HIS 364 Cb 0.00 -0.88 -0.03 0.00 1.11 0.00 0.00 32.58 32.77 3bsm s HIS 364 CO 0.00 0.47 0.29 -0.06 -0.85 0.00 0.00 174.74 174.59 3bsm s PHE 365 N -2.64 3.48 -0.08 1.40 2.99 -0.66 -0.07 117.98 122.41 3bsm s PHE 365 Ca 0.24 0.11 0.02 0.00 0.00 0.00 0.00 56.93 57.30 3bsm s PHE 365 Cb -0.03 -1.66 0.01 0.00 0.00 0.00 0.00 43.02 41.34 3bsm s PHE 365 CO 0.09 0.51 -0.13 -0.51 -0.00 0.00 0.00 175.22 175.18 3bsm s LEU 366 N -3.29 1.64 0.42 -0.37 2.01 0.65 -1.61 118.68 118.13 3bsm s LEU 366 Ca 0.35 -0.33 -0.24 0.00 0.01 0.00 0.00 54.13 53.91 3bsm s LEU 366 Cb -0.11 -0.90 -0.08 0.00 0.01 0.00 0.00 46.19 45.11 3bsm s LEU 366 CO 0.29 0.03 1.16 0.00 1.01 0.00 0.00 176.35 178.83 3bsm s ALA 367 N 0.78 3.07 0.89 4.21 0.00 -1.26 -1.99 121.76 127.47 3bsm s ALA 367 Ca -0.12 0.93 -0.11 0.00 0.00 0.00 0.00 51.96 52.66 3bsm s ALA 367 Cb -0.16 -3.37 0.13 0.00 0.00 0.00 0.00 23.12 19.72 3bsm s ALA 367 CO 0.02 -0.56 1.09 0.20 0.00 0.00 0.00 175.76 176.52 3bsm s GLY 368 N -1.26 1.62 0.00 0.00 0.00 -1.25 -4.86 107.32 101.57 3bsm s GLY 368 Ca 0.60 -0.06 0.08 0.00 0.00 0.00 0.00 44.72 45.34 3bsm s GLY 368 CO 0.36 0.42 0.96 1.18 0.00 0.00 0.00 173.10 176.02 3bsm n GLU 369 N -3.86 1.43 -2.77 2.90 -0.58 -1.26 -4.85 120.64 111.64 3bsm n GLU 369 Ca 0.07 -1.41 -0.38 0.00 -0.42 0.00 0.00 57.16 55.01 3bsm n GLU 369 Cb 0.55 -1.17 -0.06 0.00 -0.57 0.00 0.00 31.44 30.19 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 -0.83 7.48 0.38 1.62 0.01 -1.26 -4.32 113.70 116.78 3bsm s SER 370 Ca 0.13 1.88 -0.25 0.00 1.31 0.00 0.00 55.95 59.02 3bsm s SER 370 Cb 0.08 -2.59 -0.12 0.00 0.21 0.00 0.00 66.02 63.60 3bsm s SER 370 CO 0.11 0.04 1.02 -2.65 0.41 0.00 0.00 173.24 172.17 3bsm n PRO 371 N 1.01 1.39 0.00 12.44 -0.02 -1.26 -3.92 135.00 144.65 3bsm n PRO 371 Ca -0.00 0.50 0.00 0.00 -2.02 0.00 0.00 63.50 61.98 3bsm n PRO 371 Cb 0.49 -2.00 0.00 0.00 -0.02 0.00 0.00 33.50 31.96 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 1.18 -1.79 0.28 -1.23 0.00 -0.84 -4.11 105.19 98.67 3bsm n GLY 372 Ca 0.09 -1.75 0.14 0.00 0.00 0.00 0.00 46.02 44.50 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 0.02 -1.00 1.61 1.44 -1.26 -0.81 115.22 115.22 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 1.08 0.48 3.33 -1.39 0.00 -1.26 -4.54 105.19 102.89 3bsm n GLY 374 Ca 0.20 -0.18 -0.28 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.98 2.01 0.26 1.61 1.01 -1.26 -1.77 120.40 120.28 3bsm s VAL 375 Ca 0.00 -1.51 0.01 0.00 0.00 0.00 0.00 61.98 60.48 3bsm s VAL 375 Cb 0.00 -1.77 -0.03 0.00 0.00 0.00 0.00 36.38 34.58 3bsm s VAL 375 CO 0.00 0.16 0.23 -0.62 0.00 0.00 0.00 175.10 174.87 3bsm s ASP 376 N -1.64 0.77 -0.08 3.32 -1.08 -0.49 -4.86 116.67 112.60 3bsm s ASP 376 Ca 0.11 -1.51 0.02 0.00 -0.52 0.00 0.00 52.55 50.64 3bsm s ASP 376 Cb -0.10 0.48 0.02 0.00 -1.46 0.00 0.00 42.92 41.85 3bsm s ASP 376 CO 0.04 -0.97 -0.12 -0.51 0.52 0.00 0.00 175.17 174.13 3bsm s ILE 377 N -3.81 1.17 -0.77 4.11 2.07 -1.26 -3.18 121.20 119.53 3bsm s ILE 377 Ca 0.38 -0.46 -0.24 0.00 -1.41 0.00 0.00 60.65 58.92 3bsm s ILE 377 Cb 0.04 -1.10 0.06 0.00 0.13 0.00 0.00 42.46 41.59 3bsm s ILE 377 CO 0.18 0.37 1.18 -0.62 -1.91 0.00 0.00 174.94 174.14 3bsm s ASP 378 N 0.96 6.26 0.31 4.50 -1.08 0.22 -4.89 116.67 122.96 3bsm s ASP 378 Ca -0.09 -0.96 0.00 0.00 -0.52 0.00 0.00 52.55 50.98 3bsm s ASP 378 Cb -0.15 -2.49 0.52 0.00 -1.46 0.00 0.00 42.92 39.33 3bsm s ASP 378 CO -0.00 -1.57 1.95 -0.33 0.52 0.00 0.00 175.17 175.74 3bsm h GLU 379 N 9.71 1.00 0.45 4.34 5.08 -1.98 0.64 114.58 133.82 3bsm h GLU 379 Ca -0.16 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.11 3bsm h GLU 379 Cb 1.05 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 30.08 3bsm h GLU 379 CO 1.25 0.66 -0.22 1.49 -1.00 0.00 0.00 179.01 181.20 3bsm h GLU 380 N 1.04 -0.58 -0.85 2.33 4.81 -1.99 -1.17 114.58 118.16 3bsm h GLU 380 Ca 0.34 0.04 0.02 0.00 -0.13 0.00 0.00 59.36 59.62 3bsm h GLU 380 Cb 0.05 0.13 -0.04 0.00 0.63 0.00 0.00 28.75 29.52 3bsm h GLU 380 CO -0.10 -0.31 0.56 1.25 -0.73 0.00 0.00 179.01 179.68 3bsm h LEU 381 N -0.76 0.96 -1.27 1.64 5.85 -1.93 -1.57 115.31 118.23 3bsm h LEU 381 Ca -0.06 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.63 3bsm h LEU 381 Cb 0.54 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.30 3bsm h LEU 381 CO 0.10 0.68 0.35 0.00 -0.34 0.00 0.00 178.44 179.23 3bsm h ALA 382 N 1.48 1.44 0.00 1.25 0.00 -0.68 -1.57 119.26 121.18 3bsm h ALA 382 Ca 0.32 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 3bsm h ALA 382 Cb -0.08 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.45 3bsm h ALA 382 CO -0.08 0.47 -0.09 0.00 0.00 0.00 0.00 179.25 179.55 3bsm h ALA 383 N 1.52 1.39 0.00 0.00 0.00 -0.16 -1.73 119.26 120.29 3bsm h ALA 383 Ca 0.22 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3bsm h ALA 383 Cb 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3bsm h ALA 383 CO -0.04 0.11 0.00 1.63 0.00 0.00 0.00 179.25 180.95 3bsm n LYS 384 N -3.76 0.64 -3.66 0.00 5.02 -0.59 -4.17 118.16 111.64 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 0.19 -1.50 -0.11 0.00 -0.02 0.00 0.00 35.03 33.58 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 -2.22 2.27 0.66 2.13 2.02 -0.65 -5.05 117.35 116.52 3bsm s TYR 385 Ca 0.33 -2.76 -0.16 0.00 -0.37 0.00 0.00 57.07 54.11 3bsm s TYR 385 Cb 0.18 -1.83 0.00 0.00 -0.40 0.00 0.00 41.96 39.91 3bsm s TYR 385 CO 0.33 -0.70 1.16 -1.25 -1.57 0.00 0.00 175.55 173.52 3bsm s PRO 386 N -0.51 2.67 0.52 -1.71 0.04 -1.26 0.02 135.00 134.78 3bsm s PRO 386 Ca 0.27 1.61 -0.21 0.00 0.04 0.00 0.00 61.00 62.70 3bsm s PRO 386 Cb -0.05 -1.91 -0.07 0.00 0.04 0.00 0.00 34.50 32.50 3bsm s PRO 386 CO -0.15 -1.39 0.98 0.98 0.04 0.00 0.00 177.00 177.46 3bsm n TYR 387 N -2.26 0.97 -0.58 0.56 9.36 -1.26 -4.15 117.16 119.80 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 -2.18 0.00 0.00 -0.63 0.00 0.00 39.34 37.04 3bsm n TYR 387 CO 0.00 0.00 0.00 0.39 0.22 0.00 0.00 176.86 177.47