#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bs3 n GLY 2 N 0.00 1.19 1.39 -5.12 0.00 -1.26 -4.74 105.19 96.65 2bs3 n GLY 2 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2bs3 n GLY 2 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2bs3 n ARG 3 N -1.46 -2.67 -3.18 1.61 1.85 -1.26 -2.41 116.66 109.14 2bs3 n ARG 3 Ca 0.00 2.04 -0.39 0.00 -1.00 0.00 0.00 57.85 58.50 2bs3 n ARG 3 Cb 0.00 -2.66 -0.06 0.00 -1.05 0.00 0.00 32.46 28.69 2bs3 n ARG 3 CO 0.00 0.00 0.00 -1.64 -0.01 0.00 0.00 177.63 175.98 2bs3 s MET 4 N -4.32 4.34 -0.01 2.89 -1.94 -1.26 -1.58 119.30 117.42 2bs3 s MET 4 Ca 0.00 0.62 -0.05 0.00 -1.71 0.00 0.00 55.69 54.55 2bs3 s MET 4 Cb 0.00 -3.47 -0.04 0.00 2.01 0.00 0.00 34.83 33.32 2bs3 s MET 4 CO 0.00 0.03 0.23 -0.51 -0.01 0.00 0.00 175.02 174.76 2bs3 s LEU 5 N 0.99 4.37 -0.33 -0.03 1.43 0.26 -4.87 118.68 120.50 2bs3 s LEU 5 Ca 0.30 0.48 -0.06 0.00 -1.03 0.00 0.00 54.13 53.83 2bs3 s LEU 5 Cb -0.16 -2.61 0.04 0.00 0.03 0.00 0.00 46.19 43.49 2bs3 s LEU 5 CO 0.13 0.27 0.08 -0.89 0.23 0.00 0.00 176.35 176.17 2bs3 s THR 6 N -1.29 3.66 -0.29 5.49 2.01 0.15 -1.36 115.64 124.02 2bs3 s THR 6 Ca 0.26 -1.13 -0.11 0.00 0.31 0.00 0.00 61.69 61.03 2bs3 s THR 6 Cb -0.13 -3.06 -0.04 0.00 0.01 0.00 0.00 72.50 69.29 2bs3 s THR 6 CO 0.16 -0.14 0.17 -0.63 -0.69 0.00 0.00 174.62 173.50 2bs3 s ILE 7 N 1.39 5.07 -0.23 1.82 -1.09 0.07 -1.01 121.20 127.21 2bs3 s ILE 7 Ca -0.02 -0.01 -0.06 0.00 -2.23 0.00 0.00 60.65 58.34 2bs3 s ILE 7 Cb -0.19 -3.45 -0.02 0.00 -1.58 0.00 0.00 42.46 37.21 2bs3 s ILE 7 CO 0.02 0.21 0.02 -0.13 -1.23 0.00 0.00 174.94 173.82 2bs3 s ARG 8 N 1.72 3.53 -0.04 2.79 0.52 0.25 -0.24 118.95 127.48 2bs3 s ARG 8 Ca 0.07 -0.54 0.07 0.00 -0.52 0.00 0.00 55.73 54.80 2bs3 s ARG 8 Cb -0.16 -3.17 -0.01 0.00 0.52 0.00 0.00 34.95 32.13 2bs3 s ARG 8 CO 0.09 -0.17 -0.25 0.08 0.02 0.00 0.00 175.30 175.07 2bs3 s VAL 9 N 1.50 2.01 0.13 3.52 1.01 0.75 0.13 120.40 129.45 2bs3 s VAL 9 Ca 0.06 -1.06 -0.30 0.00 0.00 0.00 0.00 61.98 60.67 2bs3 s VAL 9 Cb -0.15 -1.68 -0.07 0.00 0.00 0.00 0.00 36.38 34.48 2bs3 s VAL 9 CO 0.01 0.56 1.19 0.12 0.00 0.00 0.00 175.10 176.98 2bs3 s PHE 10 N -0.34 3.45 -0.03 5.22 5.36 -0.65 -0.70 117.98 130.29 2bs3 s PHE 10 Ca 0.02 1.38 0.01 0.00 -0.96 0.00 0.00 56.93 57.38 2bs3 s PHE 10 Cb -0.12 -3.41 0.02 0.00 -0.34 0.00 0.00 43.02 39.17 2bs3 s PHE 10 CO 0.02 -1.18 -0.05 0.15 -1.46 0.00 0.00 175.22 172.70 2bs3 s LYS 11 N 0.35 0.73 -0.29 10.12 1.02 0.47 -4.34 119.74 127.80 2bs3 s LYS 11 Ca 0.55 -0.13 -0.16 0.00 0.02 0.00 0.00 55.97 56.25 2bs3 s LYS 11 Cb -0.31 -0.74 0.14 0.00 -0.52 0.00 0.00 37.83 36.41 2bs3 s LYS 11 CO 0.33 -0.02 0.96 -0.47 -0.92 0.00 0.00 175.35 175.23 2bs3 s TYR 12 N 0.63 -0.61 -0.49 3.18 5.04 -1.26 -1.63 117.35 122.22 2bs3 s TYR 12 Ca -0.08 1.20 -0.00 0.00 -2.44 0.00 0.00 57.07 55.74 2bs3 s TYR 12 Cb -0.12 0.36 0.13 0.00 0.35 0.00 0.00 41.96 42.69 2bs3 s TYR 12 CO 0.00 -0.30 0.26 0.34 -1.34 0.00 0.00 175.55 174.51 2bs3 s ASP 13 N 1.47 4.97 0.65 4.32 -1.08 -1.26 -1.75 116.67 123.98 2bs3 s ASP 13 Ca -0.09 -2.51 0.43 0.00 -0.52 0.00 0.00 52.55 49.87 2bs3 s ASP 13 Cb -0.04 -1.76 2.36 0.00 -1.46 0.00 0.00 42.92 42.02 2bs3 s ASP 13 CO -0.15 -0.40 2.33 1.55 0.52 0.00 0.00 175.17 179.02 2bs3 h PRO 14 N 7.34 0.00 0.00 4.34 0.13 -1.93 -1.61 132.00 140.27 2bs3 h PRO 14 Ca -0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.06 2bs3 h PRO 14 Cb 0.98 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.11 2bs3 h PRO 14 CO 0.67 0.00 -0.32 1.04 -0.23 0.00 0.00 178.00 179.16 2bs3 n GLN 15 N -3.03 0.15 -3.70 0.86 6.02 -1.26 -4.74 117.38 111.67 2bs3 n GLN 15 Ca -0.03 0.07 -0.36 0.00 -0.01 0.00 0.00 57.00 56.67 2bs3 n GLN 15 Cb 0.07 -1.62 -0.09 0.00 1.02 0.00 0.00 30.24 29.61 2bs3 n GLN 15 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 2bs3 s SER 16 N -3.71 6.05 0.46 1.08 0.15 -0.61 -4.99 113.70 112.14 2bs3 s SER 16 Ca 0.10 0.11 0.21 0.00 0.70 0.00 0.00 55.95 57.07 2bs3 s SER 16 Cb 0.15 -2.08 1.13 0.00 -1.71 0.00 0.00 66.02 63.51 2bs3 s SER 16 CO 0.65 0.09 1.97 0.00 1.20 0.00 0.00 173.24 177.15 2bs3 h ALA 17 N 7.36 1.37 -0.01 5.45 0.00 -1.85 -2.89 119.26 128.69 2bs3 h ALA 17 Ca -0.38 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.34 2bs3 h ALA 17 Cb 1.17 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.92 2bs3 h ALA 17 CO 0.67 0.26 -0.40 1.33 0.00 0.00 0.00 179.25 181.10 2bs3 n VAL 18 N -3.87 0.00 -2.41 0.00 0.24 -1.26 -4.93 118.33 106.10 2bs3 n VAL 18 Ca -0.02 -0.11 -0.40 0.00 -2.04 0.00 0.00 64.34 61.77 2bs3 n VAL 18 Cb 0.30 0.53 -0.04 0.00 -1.47 0.00 0.00 33.84 33.16 2bs3 n VAL 18 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 2bs3 s SER 19 N -2.65 7.18 -0.02 -1.34 0.15 -1.09 -5.04 113.70 110.88 2bs3 s SER 19 Ca 0.19 2.32 0.05 0.00 0.70 0.00 0.00 55.95 59.20 2bs3 s SER 19 Cb 0.18 -2.63 -0.01 0.00 -1.71 0.00 0.00 66.02 61.86 2bs3 s SER 19 CO 0.60 -0.23 -0.16 -0.54 1.20 0.00 0.00 173.24 174.11 2bs3 s LYS 20 N -1.29 1.38 0.20 5.44 1.02 -1.26 -4.84 119.74 120.39 2bs3 s LYS 20 Ca 0.46 -0.56 -0.31 0.00 0.02 0.00 0.00 55.97 55.58 2bs3 s LYS 20 Cb -0.33 -1.30 -0.11 0.00 -0.52 0.00 0.00 37.83 35.58 2bs3 s LYS 20 CO 0.42 0.31 1.60 -1.25 -0.92 0.00 0.00 175.35 175.51 2bs3 s PRO 21 N -0.25 4.18 0.22 -1.68 0.04 -1.26 -4.69 135.00 131.57 2bs3 s PRO 21 Ca 0.03 2.45 -0.23 0.00 0.04 0.00 0.00 61.00 63.30 2bs3 s PRO 21 Cb -0.07 -3.11 0.04 0.00 0.04 0.00 0.00 34.50 31.40 2bs3 s PRO 21 CO 0.00 -0.63 0.83 -3.38 0.04 0.00 0.00 177.00 173.86 2bs3 s HIS 22 N 0.88 -0.17 -0.01 0.56 -3.43 -0.64 -5.02 115.29 107.47 2bs3 s HIS 22 Ca 0.69 -0.22 -0.00 0.00 -0.80 0.00 0.00 55.06 54.73 2bs3 s HIS 22 Cb -0.46 0.68 -0.04 0.00 -1.43 0.00 0.00 32.58 31.33 2bs3 s HIS 22 CO 0.35 -1.05 0.07 -0.06 -2.00 0.00 0.00 174.74 172.05 2bs3 s PHE 23 N -3.63 3.25 -0.02 0.38 0.08 -1.26 -0.40 117.98 116.39 2bs3 s PHE 23 Ca 0.11 0.19 0.05 0.00 0.12 0.00 0.00 56.93 57.41 2bs3 s PHE 23 Cb -0.04 -1.73 -0.01 0.00 -0.57 0.00 0.00 43.02 40.67 2bs3 s PHE 23 CO 0.05 0.54 -0.18 -1.14 -0.10 0.00 0.00 175.22 174.39 2bs3 s GLN 24 N -1.68 1.56 0.02 0.44 0.74 0.12 -4.93 119.66 115.93 2bs3 s GLN 24 Ca 0.22 -0.64 0.03 0.00 0.05 0.00 0.00 55.36 55.02 2bs3 s GLN 24 Cb -0.12 -1.46 -0.04 0.00 1.10 0.00 0.00 33.01 32.50 2bs3 s GLN 24 CO 0.13 0.35 -0.02 -1.21 -0.55 0.00 0.00 175.29 173.99 2bs3 s GLU 25 N -0.30 2.66 0.05 1.67 2.02 -1.26 -0.17 118.70 123.36 2bs3 s GLU 25 Ca 0.04 -0.69 0.04 0.00 0.02 0.00 0.00 54.97 54.37 2bs3 s GLU 25 Cb -0.08 -2.59 -0.02 0.00 0.10 0.00 0.00 34.13 31.54 2bs3 s GLU 25 CO 0.00 0.60 -0.11 0.71 0.02 0.00 0.00 175.26 176.48 2bs3 s TYR 26 N -1.10 0.96 -0.29 1.61 1.51 0.66 -4.97 117.35 115.73 2bs3 s TYR 26 Ca 0.20 -0.41 -0.07 0.00 -1.01 0.00 0.00 57.07 55.78 2bs3 s TYR 26 Cb -0.11 -0.56 0.00 0.00 -0.11 0.00 0.00 41.96 41.18 2bs3 s TYR 26 CO 0.11 -0.00 0.08 0.15 -1.11 0.00 0.00 175.55 174.77 2bs3 s LYS 27 N -1.38 3.18 -0.05 -0.62 -0.14 -1.26 -0.75 119.74 118.71 2bs3 s LYS 27 Ca -0.04 -0.80 0.04 0.00 -1.36 0.00 0.00 55.97 53.81 2bs3 s LYS 27 Cb -0.09 -3.36 0.00 0.00 -1.68 0.00 0.00 37.83 32.70 2bs3 s LYS 27 CO 0.01 -0.40 -0.17 0.42 -0.76 0.00 0.00 175.35 174.45 2bs3 s ILE 28 N 1.52 1.45 -0.25 2.17 -1.09 -0.46 -4.94 121.20 119.60 2bs3 s ILE 28 Ca 0.03 -0.71 -0.26 0.00 -2.23 0.00 0.00 60.65 57.49 2bs3 s ILE 28 Cb -0.17 -1.26 -0.00 0.00 -1.58 0.00 0.00 42.46 39.45 2bs3 s ILE 28 CO 0.02 0.42 0.88 -0.70 -1.23 0.00 0.00 174.94 174.33 2bs3 s GLU 29 N 0.18 4.18 0.55 2.79 2.12 -1.26 0.92 118.70 128.18 2bs3 s GLU 29 Ca -0.07 1.02 -0.20 0.00 0.36 0.00 0.00 54.97 56.07 2bs3 s GLU 29 Cb -0.13 -3.65 -0.05 0.00 0.26 0.00 0.00 34.13 30.56 2bs3 s GLU 29 CO 0.03 -0.56 1.22 -2.00 -0.54 0.00 0.00 175.26 173.41 2bs3 s GLU 30 N 2.95 3.22 0.20 4.30 2.12 -0.62 -4.95 118.70 125.93 2bs3 s GLU 30 Ca 0.37 1.88 0.03 0.00 0.36 0.00 0.00 54.97 57.61 2bs3 s GLU 30 Cb -0.15 -2.12 -0.05 0.00 0.26 0.00 0.00 34.13 32.07 2bs3 s GLU 30 CO 0.07 -1.02 -0.01 0.00 -0.54 0.00 0.00 175.26 173.77 2bs3 s ALA 31 N -1.53 1.61 0.27 6.30 0.00 -1.26 -4.40 121.76 122.75 2bs3 s ALA 31 Ca 0.73 -1.68 -0.30 0.00 0.00 0.00 0.00 51.96 50.70 2bs3 s ALA 31 Cb -0.32 0.50 -0.12 0.00 0.00 0.00 0.00 23.12 23.18 2bs3 s ALA 31 CO 0.36 -0.27 1.50 -2.30 0.00 0.00 0.00 175.76 175.05 2bs3 n PRO 32 N -0.34 2.40 -2.84 0.00 -0.02 -1.26 -2.41 135.00 130.54 2bs3 n PRO 32 Ca -0.06 0.85 -0.20 0.00 -2.02 0.00 0.00 63.50 62.08 2bs3 n PRO 32 Cb 0.63 -2.58 0.01 0.00 -0.02 0.00 0.00 33.50 31.55 2bs3 n PRO 32 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 2bs3 n SER 33 N 2.07 -4.98 -4.72 2.55 7.64 -1.26 -4.94 113.62 109.98 2bs3 n SER 33 Ca 0.09 -0.14 -0.42 0.00 1.01 0.00 0.00 58.87 59.42 2bs3 n SER 33 Cb 0.35 -4.11 -0.04 0.00 -1.01 0.00 0.00 64.21 59.40 2bs3 n SER 33 CO 0.00 0.00 0.00 -0.32 -3.01 0.00 0.00 175.04 171.71 2bs3 s MET 34 N -5.48 4.56 0.39 1.43 0.00 -1.01 -5.01 119.30 114.17 2bs3 s MET 34 Ca 0.19 1.60 0.08 0.00 0.00 0.00 0.00 55.69 57.56 2bs3 s MET 34 Cb -0.09 -3.36 -0.05 0.00 0.00 0.00 0.00 34.83 31.32 2bs3 s MET 34 CO 0.24 -0.02 0.12 0.95 0.00 0.00 0.00 175.02 176.31 2bs3 s THR 35 N 0.46 2.43 0.46 10.11 -4.23 -1.26 -1.66 115.64 121.95 2bs3 s THR 35 Ca 0.52 -1.79 0.19 0.00 -1.18 0.00 0.00 61.69 59.43 2bs3 s THR 35 Cb -0.26 -2.95 0.23 0.00 1.34 0.00 0.00 72.50 70.86 2bs3 s THR 35 CO 0.31 -0.07 2.05 0.40 -0.54 0.00 0.00 174.62 176.77 2bs3 h ILE 36 N 1.57 0.93 -0.01 2.99 1.08 -1.19 -1.31 117.51 121.57 2bs3 h ILE 36 Ca -0.43 -0.50 0.01 0.00 -0.39 0.00 0.00 64.86 63.55 2bs3 h ILE 36 Cb 1.25 1.28 -0.01 0.00 -3.07 0.00 0.00 36.82 36.27 2bs3 h ILE 36 CO 0.70 0.13 -0.04 0.15 -0.69 0.00 0.00 178.15 178.40 2bs3 h PHE 37 N 0.00 -0.09 -0.61 1.37 3.57 -1.84 0.12 116.94 119.46 2bs3 h PHE 37 Ca -0.00 0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.46 2bs3 h PHE 37 Cb 0.27 0.04 -0.03 0.00 2.79 0.00 0.00 35.95 39.02 2bs3 h PHE 37 CO 0.00 -0.06 0.20 0.82 -2.23 0.00 0.00 178.31 177.05 2bs3 h ILE 38 N -0.06 1.24 0.11 1.41 2.04 -1.74 -2.30 117.51 118.21 2bs3 h ILE 38 Ca 0.02 -0.81 -0.00 0.00 1.00 0.00 0.00 64.86 65.07 2bs3 h ILE 38 Cb 0.08 0.61 -0.00 0.00 -0.74 0.00 0.00 36.82 36.77 2bs3 h ILE 38 CO -0.04 0.31 -0.08 0.58 0.00 0.00 0.00 178.15 178.92 2bs3 h VAL 39 N 0.87 0.83 -0.58 1.67 2.07 -0.87 -1.16 116.25 119.07 2bs3 h VAL 39 Ca 0.20 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.68 2bs3 h VAL 39 Cb 0.27 0.83 -0.03 0.00 -1.52 0.00 0.00 31.29 30.84 2bs3 h VAL 39 CO -0.01 0.00 0.19 -0.07 0.02 0.00 0.00 177.57 177.70 2bs3 h LEU 40 N -0.19 0.80 -0.69 2.57 3.38 -0.71 -1.33 115.31 119.15 2bs3 h LEU 40 Ca -0.01 -0.12 -0.14 0.00 0.09 0.00 0.00 57.88 57.70 2bs3 h LEU 40 Cb 0.16 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 2bs3 h LEU 40 CO -0.00 0.75 -0.62 0.78 0.09 0.00 0.00 178.44 179.44 2bs3 h ASN 41 N 0.85 0.14 -0.33 -0.43 2.35 -1.29 -0.42 115.58 116.45 2bs3 h ASN 41 Ca 0.19 -0.08 -0.05 0.00 -0.55 0.00 0.00 56.30 55.82 2bs3 h ASN 41 Cb 0.23 -0.04 -0.01 0.00 0.05 0.00 0.00 38.32 38.55 2bs3 h ASN 41 CO -0.01 0.73 0.03 0.24 -1.65 0.00 0.00 177.43 176.76 2bs3 h MET 42 N 0.09 0.56 -0.44 0.81 2.86 -0.77 -1.11 114.93 116.93 2bs3 h MET 42 Ca -0.01 -0.17 0.00 0.00 -2.06 0.00 0.00 59.70 57.47 2bs3 h MET 42 Cb 1.11 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 32.70 2bs3 h MET 42 CO 0.09 0.67 0.28 0.82 1.06 0.00 0.00 176.91 179.83 2bs3 h ILE 43 N 0.37 1.13 0.09 -1.22 2.04 -1.04 -1.21 117.51 117.67 2bs3 h ILE 43 Ca 0.10 -0.26 -0.00 0.00 1.00 0.00 0.00 64.86 65.69 2bs3 h ILE 43 Cb 0.40 0.51 0.00 0.00 -0.74 0.00 0.00 36.82 36.99 2bs3 h ILE 43 CO 0.01 0.13 -0.04 -0.09 0.00 0.00 0.00 178.15 178.15 2bs3 h ARG 44 N 0.59 -0.11 0.00 2.37 2.43 -0.88 0.71 114.38 119.48 2bs3 h ARG 44 Ca 0.16 0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.29 2bs3 h ARG 44 Cb -0.04 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.53 2bs3 h ARG 44 CO -0.03 -0.05 -0.21 0.93 -1.51 0.00 0.00 179.97 179.09 2bs3 h GLU 45 N -0.14 0.00 0.00 0.20 5.08 -1.13 -3.09 114.58 115.49 2bs3 h GLU 45 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2bs3 h GLU 45 Cb 0.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.36 2bs3 h GLU 45 CO 0.02 0.21 -0.44 0.25 -1.00 0.00 0.00 179.01 178.05 2bs3 n THR 46 N -3.26 0.00 -0.02 1.13 -2.24 -0.46 -4.95 114.28 104.48 2bs3 n THR 46 Ca 0.01 -0.09 -0.03 0.00 -2.27 0.00 0.00 64.05 61.68 2bs3 n THR 46 Cb 0.50 0.50 -0.01 0.00 -2.10 0.00 0.00 70.33 69.22 2bs3 n THR 46 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 2bs3 n TYR 47 N -0.83 0.00 -3.30 4.78 4.02 0.33 -5.02 117.16 117.14 2bs3 n TYR 47 Ca 0.00 0.00 -0.09 0.00 -0.01 0.00 0.00 57.90 57.80 2bs3 n TYR 47 Cb 0.00 -0.12 -0.05 0.00 -0.02 0.00 0.00 39.34 39.15 2bs3 n TYR 47 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 2bs3 s ASP 48 N -4.71 0.08 0.00 7.72 2.15 0.22 -4.99 116.67 117.14 2bs3 s ASP 48 Ca -0.04 -1.10 0.16 0.00 0.43 0.00 0.00 52.55 52.00 2bs3 s ASP 48 Cb 0.01 1.15 0.96 0.00 -0.30 0.00 0.00 42.92 44.74 2bs3 s ASP 48 CO 0.06 -0.24 1.40 -0.81 -0.17 0.00 0.00 175.17 175.41 2bs3 n PRO 49 N 4.49 0.63 0.11 4.34 -0.04 -1.17 -3.15 135.00 140.20 2bs3 n PRO 49 Ca 0.09 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.38 2bs3 n PRO 49 Cb 0.50 -1.40 -0.13 0.00 -0.04 0.00 0.00 33.50 32.42 2bs3 n PRO 49 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 2bs3 h ASP 50 N 0.00 0.56 -1.97 3.54 3.58 -1.94 -3.47 116.42 116.72 2bs3 h ASP 50 Ca 0.00 -0.57 -0.64 0.00 0.42 0.00 0.00 57.03 56.24 2bs3 h ASP 50 Cb 0.00 -0.18 0.04 0.00 1.72 0.00 0.00 39.33 40.91 2bs3 h ASP 50 CO 0.00 1.43 0.86 -0.11 -2.88 0.00 0.00 179.24 178.54 2bs3 n LEU 51 N -3.62 2.86 -4.81 2.28 7.94 -1.19 -4.99 117.00 115.48 2bs3 n LEU 51 Ca -0.10 1.05 -0.37 0.00 -1.11 0.00 0.00 56.01 55.48 2bs3 n LEU 51 Cb 1.02 -1.32 -0.07 0.00 0.53 0.00 0.00 43.42 43.58 2bs3 n LEU 51 CO 0.55 -0.36 -0.09 0.20 -1.11 0.00 0.00 177.39 176.59 2bs3 s ASN 52 N 2.36 6.45 0.13 1.96 -0.87 -1.26 -5.00 114.94 118.71 2bs3 s ASN 52 Ca 0.88 0.53 -0.24 0.00 -1.57 0.00 0.00 52.86 52.45 2bs3 s ASN 52 Cb -0.79 -2.13 0.07 0.00 -0.02 0.00 0.00 41.25 38.38 2bs3 s ASN 52 CO 0.49 0.29 0.73 0.72 -2.57 0.00 0.00 177.10 176.76 2bs3 s PHE 53 N -0.48 -0.39 -0.18 2.20 -0.12 -1.26 -1.93 117.98 115.81 2bs3 s PHE 53 Ca 0.16 0.16 0.01 0.00 -0.05 0.00 0.00 56.93 57.20 2bs3 s PHE 53 Cb -0.13 0.58 0.04 0.00 -0.63 0.00 0.00 43.02 42.88 2bs3 s PHE 53 CO 0.05 -0.82 -0.11 -0.51 -0.05 0.00 0.00 175.22 173.78 2bs3 s ASP 54 N -2.72 3.09 0.07 1.98 1.01 -1.26 -4.92 116.67 113.92 2bs3 s ASP 54 Ca 0.05 -0.73 0.06 0.00 0.71 0.00 0.00 52.55 52.64 2bs3 s ASP 54 Cb -0.02 -1.17 -0.03 0.00 1.01 0.00 0.00 42.92 42.71 2bs3 s ASP 54 CO -0.07 -0.12 -0.17 -0.36 0.21 0.00 0.00 175.17 174.65 2bs3 s PHE 55 N 1.46 1.48 0.00 4.23 0.08 -1.26 -3.26 117.98 120.71 2bs3 s PHE 55 Ca 0.01 -0.42 0.00 0.00 0.12 0.00 0.00 56.93 56.64 2bs3 s PHE 55 Cb -0.15 -0.84 0.00 0.00 -0.57 0.00 0.00 43.02 41.46 2bs3 s PHE 55 CO -0.09 0.11 0.00 0.28 -0.10 0.00 0.00 175.22 175.42 2bs3 n VAL 56 N 1.39 0.00 0.12 -0.44 0.31 -1.26 -4.95 118.33 113.50 2bs3 n VAL 56 Ca -0.20 0.00 -0.01 0.00 -0.01 0.00 0.00 64.34 64.13 2bs3 n VAL 56 Cb 0.54 -0.18 0.06 0.00 -0.91 0.00 0.00 33.84 33.35 2bs3 n VAL 56 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2bs3 n ARG 58 N -3.42 -1.64 -0.01 0.00 -4.01 -1.26 -4.76 116.66 101.55 2bs3 n ARG 58 Ca 0.00 0.70 0.00 0.00 -1.04 0.00 0.00 57.85 57.51 2bs3 n ARG 58 Cb 0.74 -5.08 0.00 0.00 -3.04 0.00 0.00 32.46 25.09 2bs3 n ARG 58 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 2bs3 n ALA 59 N -0.59 1.59 -1.44 2.89 0.00 -1.26 -4.90 120.51 116.80 2bs3 n ALA 59 Ca -0.14 -0.84 -0.09 0.00 0.00 0.00 0.00 53.44 52.38 2bs3 n ALA 59 Cb 0.49 -0.02 -0.03 0.00 0.00 0.00 0.00 19.45 19.89 2bs3 n ALA 59 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2bs3 n GLY 60 N -0.31 0.86 0.03 0.00 0.00 -1.26 -4.92 105.19 99.60 2bs3 n GLY 60 Ca 0.00 -0.61 -0.00 0.00 0.00 0.00 0.00 46.02 45.41 2bs3 n GLY 60 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2bs3 n ILE 61 N -2.99 0.41 0.03 -0.61 5.41 -1.26 -4.75 119.36 115.60 2bs3 n ILE 61 Ca -0.09 -0.38 0.11 0.00 1.00 0.00 0.00 62.75 63.38 2bs3 n ILE 61 Cb 0.35 -0.27 -0.11 0.00 -0.71 0.00 0.00 39.64 38.90 2bs3 n ILE 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2bs3 n GLY 63 N 1.24 0.45 0.16 0.00 0.00 -1.26 -4.80 105.19 100.97 2bs3 n GLY 63 Ca -0.03 -0.54 -0.14 0.00 0.00 0.00 0.00 46.02 45.31 2bs3 n GLY 63 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2bs3 h SER 64 N 0.00 0.54 -0.63 1.61 0.87 -1.88 -3.38 113.55 110.68 2bs3 h SER 64 Ca -0.00 -0.44 -0.27 0.00 -1.23 0.00 0.00 61.79 59.85 2bs3 h SER 64 Cb 0.01 -0.17 -0.16 0.00 -0.44 0.00 0.00 62.40 61.64 2bs3 h SER 64 CO 0.00 1.24 0.35 0.00 -0.53 0.00 0.00 176.83 177.89 2bs3 s GLY 66 N -0.61 2.98 0.04 0.00 0.00 -1.26 -2.24 107.32 106.23 2bs3 s GLY 66 Ca 0.40 1.29 -0.28 0.00 0.00 0.00 0.00 44.72 46.13 2bs3 s GLY 66 CO 0.09 1.93 0.92 -3.16 0.00 0.00 0.00 173.10 172.88 2bs3 s MET 67 N -1.90 0.91 -0.26 2.90 0.23 -0.53 -4.50 119.30 116.16 2bs3 s MET 67 Ca 0.51 -0.40 -0.27 0.00 -1.03 0.00 0.00 55.69 54.49 2bs3 s MET 67 Cb -0.40 0.38 0.01 0.00 -1.53 0.00 0.00 34.83 33.28 2bs3 s MET 67 CO 0.53 -0.41 0.98 -1.64 -2.03 0.00 0.00 175.02 172.45 2bs3 s MET 68 N -3.14 4.18 -0.30 3.16 -1.94 0.91 -0.53 119.30 121.65 2bs3 s MET 68 Ca 0.07 1.14 0.01 0.00 -1.71 0.00 0.00 55.69 55.21 2bs3 s MET 68 Cb -0.01 -3.67 0.07 0.00 2.01 0.00 0.00 34.83 33.23 2bs3 s MET 68 CO -0.06 -0.66 -0.03 0.42 -0.01 0.00 0.00 175.02 174.68 2bs3 s ILE 69 N 3.18 2.49 -1.40 2.53 1.01 -0.19 -1.02 121.20 127.81 2bs3 s ILE 69 Ca 0.41 -1.72 -0.06 0.00 0.00 0.00 0.00 60.65 59.28 2bs3 s ILE 69 Cb -0.14 -2.54 0.04 0.00 0.01 0.00 0.00 42.46 39.82 2bs3 s ILE 69 CO 0.09 -0.20 0.86 0.59 0.00 0.00 0.00 174.94 176.28 2bs3 n ASN 70 N 4.46 -3.06 0.00 3.58 4.13 -0.40 -2.38 115.26 121.59 2bs3 n ASN 70 Ca -0.10 -0.78 0.00 0.00 1.68 0.00 0.00 54.58 55.39 2bs3 n ASN 70 Cb 0.42 -4.10 0.00 0.00 -1.54 0.00 0.00 39.78 34.57 2bs3 n ASN 70 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2bs3 n GLY 71 N -1.64 1.39 3.16 7.41 0.00 -1.26 -5.04 105.19 109.21 2bs3 n GLY 71 Ca -0.14 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.58 2bs3 n GLY 71 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2bs3 s ARG 72 N -0.33 2.74 -0.01 1.61 1.81 -1.00 -5.05 118.95 118.72 2bs3 s ARG 72 Ca 0.00 -0.76 -0.30 0.00 -1.72 0.00 0.00 55.73 52.94 2bs3 s ARG 72 Cb 0.00 -2.14 -0.06 0.00 -0.45 0.00 0.00 34.95 32.30 2bs3 s ARG 72 CO 0.00 0.09 1.58 -1.25 -0.68 0.00 0.00 175.30 175.04 2bs3 s PRO 73 N 0.55 4.21 0.22 3.54 0.04 -1.26 -1.02 135.00 141.28 2bs3 s PRO 73 Ca -0.15 2.16 -0.05 0.00 0.04 0.00 0.00 61.00 63.00 2bs3 s PRO 73 Cb -0.17 -3.77 -0.03 0.00 0.04 0.00 0.00 34.50 30.58 2bs3 s PRO 73 CO 0.05 -0.74 0.25 -1.12 0.04 0.00 0.00 177.00 175.48 2bs3 s SER 74 N 2.67 0.07 -0.37 6.66 0.01 0.31 -4.92 113.70 118.14 2bs3 s SER 74 Ca 0.71 -1.23 -0.23 0.00 1.31 0.00 0.00 55.95 56.51 2bs3 s SER 74 Cb -0.34 0.45 0.01 0.00 0.21 0.00 0.00 66.02 66.35 2bs3 s SER 74 CO 0.29 -0.94 0.75 -0.76 0.41 0.00 0.00 173.24 172.99 2bs3 s LEU 75 N -3.11 4.17 0.29 2.44 1.43 -1.26 -1.45 118.68 121.19 2bs3 s LEU 75 Ca 0.33 0.26 -0.01 0.00 -1.03 0.00 0.00 54.13 53.68 2bs3 s LEU 75 Cb 0.04 -2.97 0.48 0.00 0.03 0.00 0.00 46.19 43.78 2bs3 s LEU 75 CO 0.11 -0.73 1.90 0.00 0.23 0.00 0.00 176.35 177.87 2bs3 h ALA 76 N 8.53 1.47 0.00 4.21 0.00 -1.79 -1.70 119.26 129.98 2bs3 h ALA 76 Ca -0.25 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.63 2bs3 h ALA 76 Cb 1.10 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.60 2bs3 h ALA 76 CO 0.90 0.40 0.00 0.00 0.00 0.00 0.00 179.25 180.55 2bs3 n ARG 78 N -2.45 2.32 -3.77 0.00 0.63 -0.67 -4.79 116.66 107.93 2bs3 n ARG 78 Ca 0.01 -1.88 -0.36 0.00 -0.92 0.00 0.00 57.85 54.69 2bs3 n ARG 78 Cb 0.18 -1.28 -0.11 0.00 0.45 0.00 0.00 32.46 31.71 2bs3 n ARG 78 CO 0.00 0.00 0.00 0.99 -2.51 0.00 0.00 177.63 176.11 2bs3 s THR 79 N -1.00 4.92 -0.11 5.15 2.01 -0.82 -5.00 115.64 120.79 2bs3 s THR 79 Ca 0.22 0.03 -0.13 0.00 0.31 0.00 0.00 61.69 62.12 2bs3 s THR 79 Cb 0.12 -3.29 -0.05 0.00 0.01 0.00 0.00 72.50 69.30 2bs3 s THR 79 CO 0.17 0.36 0.31 -0.76 -0.69 0.00 0.00 174.62 174.00 2bs3 s LEU 80 N 1.14 4.33 0.41 4.42 1.43 -1.26 -1.55 118.68 127.59 2bs3 s LEU 80 Ca 0.06 0.63 0.10 0.00 -1.03 0.00 0.00 54.13 53.88 2bs3 s LEU 80 Cb -0.14 -2.39 0.85 0.00 0.03 0.00 0.00 46.19 44.54 2bs3 s LEU 80 CO 0.04 0.20 1.97 0.71 0.23 0.00 0.00 176.35 179.51 2bs3 h THR 81 N 4.33 1.14 -0.98 5.49 1.35 -1.64 -2.55 112.91 120.05 2bs3 h THR 81 Ca -0.46 -0.56 0.24 0.00 -0.55 0.00 0.00 66.41 65.08 2bs3 h THR 81 Cb 1.19 1.02 -0.08 0.00 -1.73 0.00 0.00 68.15 68.56 2bs3 h THR 81 CO 0.69 0.18 0.64 0.50 -0.25 0.00 0.00 175.52 177.29 2bs3 h LYS 82 N 0.28 0.37 0.00 4.72 3.64 -1.94 -0.75 116.57 122.89 2bs3 h LYS 82 Ca 0.06 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 2bs3 h LYS 82 Cb 0.24 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 31.97 2bs3 h LYS 82 CO 0.01 0.24 0.00 -0.25 -2.27 0.00 0.00 179.45 177.18 2bs3 n ASP 83 N -4.54 0.00 -4.10 4.20 8.00 -0.96 -4.29 116.55 114.86 2bs3 n ASP 83 Ca 0.22 -0.73 -0.36 0.00 0.71 0.00 0.00 54.79 54.63 2bs3 n ASP 83 Cb 0.80 0.00 -0.08 0.00 -0.02 0.00 0.00 41.12 41.82 2bs3 n ASP 83 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 2bs3 s PHE 84 N -2.00 3.64 -0.99 1.24 0.40 -0.29 -5.00 117.98 114.99 2bs3 s PHE 84 Ca 0.25 -2.86 -0.24 0.00 -0.60 0.00 0.00 56.93 53.48 2bs3 s PHE 84 Cb 0.11 -3.22 -0.05 0.00 0.51 0.00 0.00 43.02 40.37 2bs3 s PHE 84 CO 0.19 -0.79 1.91 -2.00 0.70 0.00 0.00 175.22 175.24 2bs3 s GLU 85 N -0.71 2.63 0.00 0.44 2.56 -1.26 -1.72 118.70 120.63 2bs3 s GLU 85 Ca 0.22 -0.59 0.00 0.00 0.00 0.00 0.00 54.97 54.60 2bs3 s GLU 85 Cb -0.13 -5.13 0.00 0.00 2.00 0.00 0.00 34.13 30.86 2bs3 s GLU 85 CO -0.08 -3.44 0.00 -3.47 -0.56 0.00 0.00 175.26 167.71 2bs3 n ASP 86 N 13.68 0.00 0.00 -1.70 -0.08 -1.26 -4.98 116.55 122.21 2bs3 n ASP 86 Ca 0.41 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.69 2bs3 n ASP 86 Cb 0.47 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.93 2bs3 n ASP 86 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2bs3 n GLY 87 N 0.00 0.57 3.24 0.27 0.00 -0.70 -4.96 105.19 103.61 2bs3 n GLY 87 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 2bs3 n GLY 87 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2bs3 s VAL 88 N -2.46 3.19 -0.18 1.61 1.01 -1.26 0.30 120.40 122.61 2bs3 s VAL 88 Ca 0.00 -0.91 0.01 0.00 0.00 0.00 0.00 61.98 61.08 2bs3 s VAL 88 Cb 0.00 -2.62 0.02 0.00 0.00 0.00 0.00 36.38 33.78 2bs3 s VAL 88 CO 0.00 0.18 -0.19 -0.63 0.00 0.00 0.00 175.10 174.45 2bs3 s ILE 89 N 1.38 2.00 -0.21 2.22 1.01 -0.18 -4.99 121.20 122.43 2bs3 s ILE 89 Ca 0.01 -0.91 -0.07 0.00 0.00 0.00 0.00 60.65 59.69 2bs3 s ILE 89 Cb -0.17 -1.82 -0.03 0.00 0.01 0.00 0.00 42.46 40.45 2bs3 s ILE 89 CO -0.03 0.53 0.05 -0.89 0.00 0.00 0.00 174.94 174.60 2bs3 s THR 90 N 1.31 4.33 -0.17 2.92 2.01 -1.26 -0.58 115.64 124.20 2bs3 s THR 90 Ca 0.05 -0.18 -0.04 0.00 0.31 0.00 0.00 61.69 61.83 2bs3 s THR 90 Cb -0.13 -2.98 -0.02 0.00 0.01 0.00 0.00 72.50 69.37 2bs3 s THR 90 CO -0.13 0.40 -0.03 -0.76 -0.69 0.00 0.00 174.62 173.41 2bs3 s LEU 91 N 1.08 3.21 0.09 4.42 1.43 0.12 -1.27 118.68 127.76 2bs3 s LEU 91 Ca 0.03 -0.18 0.07 0.00 -1.03 0.00 0.00 54.13 53.02 2bs3 s LEU 91 Cb -0.14 -1.79 -0.03 0.00 0.03 0.00 0.00 46.19 44.25 2bs3 s LEU 91 CO 0.03 0.12 -0.17 -0.76 0.23 0.00 0.00 176.35 175.79 2bs3 s LEU 92 N 0.66 2.30 0.78 1.79 1.43 -0.18 -1.64 118.68 123.82 2bs3 s LEU 92 Ca -0.02 -0.67 -0.11 0.00 -1.03 0.00 0.00 54.13 52.31 2bs3 s LEU 92 Cb -0.14 -0.68 0.06 0.00 0.03 0.00 0.00 46.19 45.45 2bs3 s LEU 92 CO 0.02 -0.03 1.09 -2.16 0.23 0.00 0.00 176.35 175.50 2bs3 s PRO 93 N -1.92 2.23 0.17 1.29 0.04 -1.26 -0.06 135.00 135.49 2bs3 s PRO 93 Ca 0.03 1.09 -0.31 0.00 0.04 0.00 0.00 61.00 61.85 2bs3 s PRO 93 Cb -0.09 -1.90 -0.10 0.00 0.04 0.00 0.00 34.50 32.45 2bs3 s PRO 93 CO 0.03 -1.64 1.50 -0.51 0.04 0.00 0.00 177.00 176.42 2bs3 s LEU 94 N -5.90 4.37 0.86 -3.56 1.43 -1.26 -4.35 118.68 110.27 2bs3 s LEU 94 Ca 0.61 2.56 -0.13 0.00 -1.03 0.00 0.00 54.13 56.14 2bs3 s LEU 94 Cb -0.17 -3.60 0.11 0.00 0.03 0.00 0.00 46.19 42.56 2bs3 s LEU 94 CO 0.56 -0.75 1.19 -2.16 0.23 0.00 0.00 176.35 175.41 2bs3 s PRO 95 N 0.80 1.57 0.00 1.29 0.04 -1.26 -3.99 135.00 133.44 2bs3 s PRO 95 Ca 0.66 0.09 0.00 0.00 0.04 0.00 0.00 61.00 61.79 2bs3 s PRO 95 Cb -0.42 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.22 2bs3 s PRO 95 CO 0.34 -1.86 0.00 0.00 0.04 0.00 0.00 177.00 175.51 2bs3 n ALA 96 N -3.50 0.00 -2.48 8.56 0.00 -1.26 -4.33 120.51 117.50 2bs3 n ALA 96 Ca 0.09 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.32 2bs3 n ALA 96 Cb 0.60 -0.31 -0.11 0.00 0.00 0.00 0.00 19.45 19.63 2bs3 n ALA 96 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 2bs3 s PHE 97 N -2.65 1.62 0.10 0.00 0.08 -1.26 -4.97 117.98 110.90 2bs3 s PHE 97 Ca 0.00 -0.51 -0.31 0.00 0.12 0.00 0.00 56.93 56.23 2bs3 s PHE 97 Cb 0.00 -0.83 -0.08 0.00 -0.57 0.00 0.00 43.02 41.54 2bs3 s PHE 97 CO 0.00 0.23 1.48 0.21 -0.10 0.00 0.00 175.22 177.04 2bs3 s LYS 98 N -2.67 4.27 0.15 0.44 2.20 -1.26 -4.84 119.74 118.03 2bs3 s LYS 98 Ca 0.12 2.16 -0.30 0.00 -0.36 0.00 0.00 55.97 57.59 2bs3 s LYS 98 Cb -0.06 -3.35 -0.07 0.00 -1.51 0.00 0.00 37.83 32.84 2bs3 s LYS 98 CO 0.05 -0.55 1.01 -1.17 -0.36 0.00 0.00 175.35 174.33 2bs3 s LEU 99 N 1.64 4.51 -0.18 5.43 2.96 -1.26 -0.72 118.68 131.06 2bs3 s LEU 99 Ca 0.67 1.92 -0.17 0.00 -0.22 0.00 0.00 54.13 56.34 2bs3 s LEU 99 Cb -0.38 -3.60 -0.06 0.00 0.50 0.00 0.00 46.19 42.65 2bs3 s LEU 99 CO 0.30 -0.10 -0.32 -0.38 -1.32 0.00 0.00 176.35 174.53 2bs3 n ILE 100 N 2.49 1.49 -3.64 6.68 5.41 0.18 -4.89 119.36 127.08 2bs3 n ILE 100 Ca 0.02 0.10 -0.05 0.00 1.00 0.00 0.00 62.75 63.82 2bs3 n ILE 100 Cb 0.48 -2.31 -0.07 0.00 -0.71 0.00 0.00 39.64 37.03 2bs3 n ILE 100 CO 0.00 0.00 0.00 -0.75 0.00 0.00 0.00 176.55 175.80 2bs3 s LYS 101 N -2.78 0.34 3.80 0.38 2.20 -0.89 -4.40 119.74 118.40 2bs3 s LYS 101 Ca -0.28 0.46 0.00 0.00 -0.36 0.00 0.00 55.97 55.79 2bs3 s LYS 101 Cb 0.05 0.14 0.00 0.00 -1.51 0.00 0.00 37.83 36.51 2bs3 s LYS 101 CO 0.41 -0.05 0.00 -0.25 -0.36 0.00 0.00 175.35 175.10 2bs3 n ASP 102 N 2.49 0.00 -1.05 1.43 8.00 -0.72 -0.32 116.55 126.38 2bs3 n ASP 102 Ca -0.14 0.00 0.12 0.00 0.71 0.00 0.00 54.79 55.48 2bs3 n ASP 102 Cb 0.56 0.00 0.20 0.00 -0.02 0.00 0.00 41.12 41.87 2bs3 n ASP 102 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2bs3 n LEU 103 N 0.00 3.18 -4.65 0.64 4.77 -0.81 -4.26 117.00 115.86 2bs3 n LEU 103 Ca 0.00 -1.28 -0.38 0.00 -0.03 0.00 0.00 56.01 54.32 2bs3 n LEU 103 Cb 0.00 -0.16 -0.08 0.00 -2.33 0.00 0.00 43.42 40.84 2bs3 n LEU 103 CO 0.00 0.64 0.04 -0.55 -1.33 0.00 0.00 177.39 176.19 2bs3 s SER 104 N -1.65 6.33 0.28 -1.43 0.15 0.56 -4.69 113.70 113.25 2bs3 s SER 104 Ca 0.35 0.38 0.05 0.00 0.70 0.00 0.00 55.95 57.43 2bs3 s SER 104 Cb 0.22 -2.20 -0.06 0.00 -1.71 0.00 0.00 66.02 62.27 2bs3 s SER 104 CO 0.31 -0.08 0.00 0.68 1.20 0.00 0.00 173.24 175.35 2bs3 s VAL 105 N 1.46 1.28 -0.91 4.45 -7.23 -1.26 -0.65 120.40 117.55 2bs3 s VAL 105 Ca 0.16 -2.05 -0.14 0.00 -1.81 0.00 0.00 61.98 58.14 2bs3 s VAL 105 Cb -0.15 -2.54 0.21 0.00 0.56 0.00 0.00 36.38 34.46 2bs3 s VAL 105 CO 0.08 -0.20 0.92 -0.62 -0.31 0.00 0.00 175.10 174.96 2bs3 s ASP 106 N -3.41 6.83 -0.07 4.85 -1.08 0.10 -4.78 116.67 119.11 2bs3 s ASP 106 Ca 0.32 -2.71 -0.10 0.00 -0.52 0.00 0.00 52.55 49.54 2bs3 s ASP 106 Cb 0.06 -2.26 -0.29 0.00 -1.46 0.00 0.00 42.92 38.97 2bs3 s ASP 106 CO 0.12 -0.63 0.58 0.71 0.52 0.00 0.00 175.17 176.46 2bs3 h THR 107 N 4.82 0.84 -0.53 1.71 1.35 -1.96 -3.37 112.91 115.75 2bs3 h THR 107 Ca 0.14 -2.46 0.11 0.00 -0.55 0.00 0.00 66.41 63.65 2bs3 h THR 107 Cb 1.01 2.69 -0.10 0.00 -1.73 0.00 0.00 68.15 70.02 2bs3 h THR 107 CO 0.88 0.87 -0.08 1.23 -0.25 0.00 0.00 175.52 178.17 2bs3 h GLY 108 N 0.80 0.45 2.00 5.82 0.00 -1.90 -1.17 103.07 109.08 2bs3 h GLY 108 Ca -0.37 0.13 -0.10 0.00 0.00 0.00 0.00 47.33 46.99 2bs3 h GLY 108 CO 0.15 -0.19 -0.49 3.43 0.00 0.00 0.00 176.54 179.44 2bs3 h ASN 109 N 0.04 0.00 -0.34 0.19 2.35 -1.98 -1.57 115.58 114.27 2bs3 h ASN 109 Ca 0.26 0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.91 2bs3 h ASN 109 Cb 0.41 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.77 2bs3 h ASN 109 CO -0.51 0.49 -0.22 -0.25 -1.65 0.00 0.00 177.43 175.29 2bs3 h TRP 110 N 0.00 0.87 -0.71 1.19 7.01 -1.59 -2.03 115.95 120.68 2bs3 h TRP 110 Ca -0.00 -0.23 -0.05 0.00 2.11 0.00 0.00 58.89 60.71 2bs3 h TRP 110 Cb 1.13 -0.19 -0.03 0.00 -2.10 0.00 0.00 29.16 27.96 2bs3 h TRP 110 CO 0.00 0.97 0.25 0.74 -2.79 0.00 0.00 178.44 177.61 2bs3 h PHE 111 N 0.51 1.12 -0.78 2.65 0.04 -1.04 0.94 116.94 120.40 2bs3 h PHE 111 Ca 0.07 -0.10 -0.02 0.00 2.80 0.00 0.00 57.97 60.72 2bs3 h PHE 111 Cb 0.77 -0.33 -0.04 0.00 2.20 0.00 0.00 35.95 38.56 2bs3 h PHE 111 CO 0.06 0.88 0.41 -0.91 -0.60 0.00 0.00 178.31 178.16 2bs3 h ASN 112 N 1.03 0.97 -0.61 2.17 2.35 -1.22 0.25 115.58 120.53 2bs3 h ASN 112 Ca 0.23 -0.09 -0.09 0.00 -0.55 0.00 0.00 56.30 55.81 2bs3 h ASN 112 Cb 0.26 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.36 2bs3 h ASN 112 CO -0.01 0.79 0.03 1.23 -1.65 0.00 0.00 177.43 177.82 2bs3 h GLY 113 N 1.12 1.15 0.92 2.83 0.00 -0.72 -1.64 103.07 106.74 2bs3 h GLY 113 Ca 0.27 -0.81 -0.04 0.00 0.00 0.00 0.00 47.33 46.75 2bs3 h GLY 113 CO -0.04 0.75 0.09 1.98 0.00 0.00 0.00 176.54 179.32 2bs3 h MET 114 N 0.98 0.60 -0.91 4.80 1.85 0.08 -0.83 114.93 121.50 2bs3 h MET 114 Ca 0.18 -0.14 0.01 0.00 -0.61 0.00 0.00 59.70 59.14 2bs3 h MET 114 Cb 0.52 -0.08 -0.05 0.00 0.43 0.00 0.00 31.60 32.43 2bs3 h MET 114 CO 0.03 0.64 0.60 0.77 -0.40 0.00 0.00 176.91 178.54 2bs3 h SER 115 N 0.46 1.03 -0.29 1.39 0.02 -0.32 -1.53 113.55 114.31 2bs3 h SER 115 Ca 0.12 -0.02 -0.18 0.00 -0.84 0.00 0.00 61.79 60.86 2bs3 h SER 115 Cb 0.31 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.59 2bs3 h SER 115 CO 0.00 0.74 -0.52 1.56 -1.14 0.00 0.00 176.83 177.47 2bs3 h GLN 116 N 1.21 0.87 -0.95 3.45 4.20 -1.10 0.28 115.11 123.08 2bs3 h GLN 116 Ca 0.34 -0.55 0.02 0.00 0.06 0.00 0.00 58.65 58.52 2bs3 h GLN 116 Cb -0.12 0.06 -0.05 0.00 0.30 0.00 0.00 27.48 27.67 2bs3 h GLN 116 CO -0.08 1.18 0.62 -0.09 -0.67 0.00 0.00 178.83 179.80 2bs3 h ARG 117 N 0.66 1.20 -0.67 1.46 2.43 -0.55 -1.57 114.38 117.34 2bs3 h ARG 117 Ca 0.02 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 2bs3 h ARG 117 Cb 1.13 -0.27 0.00 0.00 -0.42 0.00 0.00 29.97 30.41 2bs3 h ARG 117 CO 0.12 0.80 0.00 1.33 -1.51 0.00 0.00 179.97 180.71 2bs3 n VAL 118 N -4.45 0.98 -3.63 0.20 0.24 -0.63 -4.95 118.33 106.09 2bs3 n VAL 118 Ca 0.12 -0.92 -0.24 0.00 -2.04 0.00 0.00 64.34 61.26 2bs3 n VAL 118 Cb 0.05 0.41 0.02 0.00 -1.47 0.00 0.00 33.84 32.85 2bs3 n VAL 118 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2bs3 n GLU 119 N 1.43 -1.25 -1.33 7.34 1.02 -0.59 -4.79 120.64 122.47 2bs3 n GLU 119 Ca 0.23 0.73 -0.40 0.00 -0.02 0.00 0.00 57.16 57.70 2bs3 n GLU 119 Cb 0.59 -3.70 -0.03 0.00 -0.02 0.00 0.00 31.44 28.28 2bs3 n GLU 119 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2bs3 n SER 120 N -2.42 3.82 -3.47 1.62 2.88 0.91 -4.81 113.62 112.15 2bs3 n SER 120 Ca -0.15 -2.69 -0.11 0.00 -1.33 0.00 0.00 58.87 54.59 2bs3 n SER 120 Cb 0.60 -1.35 -0.02 0.00 -0.75 0.00 0.00 64.21 62.69 2bs3 n SER 120 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 2bs3 s TRP 121 N 3.92 -0.46 0.15 0.66 -2.14 -1.26 -5.01 118.94 114.79 2bs3 s TRP 121 Ca 0.53 0.35 -0.31 0.00 2.66 0.00 0.00 56.10 59.33 2bs3 s TRP 121 Cb 0.14 0.54 -0.10 0.00 -3.10 0.00 0.00 33.47 30.95 2bs3 s TRP 121 CO 0.01 -0.69 1.58 0.42 -2.66 0.00 0.00 176.95 175.61 2bs3 s ILE 122 N -3.20 2.71 -0.35 0.66 -1.09 -1.26 -4.99 121.20 113.68 2bs3 s ILE 122 Ca 0.02 0.46 -0.08 0.00 -2.23 0.00 0.00 60.65 58.81 2bs3 s ILE 122 Cb -0.01 -3.29 0.03 0.00 -1.58 0.00 0.00 42.46 37.61 2bs3 s ILE 122 CO -0.09 0.03 0.14 -1.00 -1.23 0.00 0.00 174.94 172.79 2bs3 s HIS 123 N 1.44 3.23 -0.02 3.97 3.76 -1.26 -5.03 115.29 121.38 2bs3 s HIS 123 Ca 0.71 -1.14 -0.02 0.00 -0.15 0.00 0.00 55.06 54.46 2bs3 s HIS 123 Cb -0.43 -2.34 0.00 0.00 1.11 0.00 0.00 32.58 30.92 2bs3 s HIS 123 CO 0.31 -0.66 0.05 0.00 -0.85 0.00 0.00 174.74 173.59 2bs3 s ALA 124 N 1.49 -0.12 0.04 -1.40 0.00 -1.26 -0.48 121.76 120.02 2bs3 s ALA 124 Ca 0.01 0.10 -0.22 0.00 0.00 0.00 0.00 51.96 51.85 2bs3 s ALA 124 Cb -0.19 -0.07 -0.15 0.00 0.00 0.00 0.00 23.12 22.71 2bs3 s ALA 124 CO 0.04 -0.03 1.44 1.96 0.00 0.00 0.00 175.76 179.17 2bs3 h GLN 125 N 5.96 0.18 -6.30 0.00 1.08 -1.97 -3.45 115.11 110.61 2bs3 h GLN 125 Ca -0.25 -0.06 -0.67 0.00 -1.45 0.00 0.00 58.65 56.21 2bs3 h GLN 125 Cb 1.21 -0.01 -0.17 0.00 -0.05 0.00 0.00 27.48 28.46 2bs3 h GLN 125 CO 0.47 0.47 -0.70 -1.59 -0.95 0.00 0.00 178.83 176.53 2bs3 s LYS 126 N -4.82 2.53 -0.03 1.46 -2.85 -1.26 -5.10 119.74 109.67 2bs3 s LYS 126 Ca -0.14 -0.74 -0.25 0.00 -1.00 0.00 0.00 55.97 53.83 2bs3 s LYS 126 Cb 0.05 -2.50 -0.04 0.00 -2.06 0.00 0.00 37.83 33.28 2bs3 s LYS 126 CO 0.70 0.59 0.76 -1.21 0.10 0.00 0.00 175.35 176.30 2bs3 s GLU 127 N -1.53 4.47 0.29 1.78 2.02 -1.26 -5.04 118.70 119.44 2bs3 s GLU 127 Ca 0.18 1.02 -0.28 0.00 0.02 0.00 0.00 54.97 55.90 2bs3 s GLU 127 Cb -0.11 -3.43 -0.09 0.00 0.10 0.00 0.00 34.13 30.59 2bs3 s GLU 127 CO 0.09 0.08 1.01 -1.58 0.02 0.00 0.00 175.26 174.88 2bs3 s HIS 128 N 0.68 3.69 -0.10 1.61 5.65 -1.26 -4.97 115.29 120.59 2bs3 s HIS 128 Ca 0.40 1.78 -0.29 0.00 0.25 0.00 0.00 55.06 57.20 2bs3 s HIS 128 Cb -0.19 -3.08 -0.04 0.00 -1.18 0.00 0.00 32.58 28.09 2bs3 s HIS 128 CO 0.21 -0.06 1.58 0.34 -0.65 0.00 0.00 174.74 176.15 2bs3 s ASP 129 N -1.24 6.67 0.00 9.88 -1.08 -1.26 -4.89 116.67 124.76 2bs3 s ASP 129 Ca 0.47 2.04 0.26 0.00 -0.52 0.00 0.00 52.55 54.79 2bs3 s ASP 129 Cb -0.26 -2.53 1.42 0.00 -1.46 0.00 0.00 42.92 40.09 2bs3 s ASP 129 CO 0.32 -0.95 1.90 2.30 0.52 0.00 0.00 175.17 179.26 2bs3 n ILE 130 N 5.61 0.10 1.13 4.11 -5.35 -1.26 -2.51 119.36 121.20 2bs3 n ILE 130 Ca 0.17 0.03 0.12 0.00 -0.27 0.00 0.00 62.75 62.80 2bs3 n ILE 130 Cb 0.44 -0.61 0.19 0.00 -1.74 0.00 0.00 39.64 37.92 2bs3 n ILE 130 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 2bs3 n SER 131 N -1.16 2.12 -4.81 7.28 3.41 -1.26 -4.95 113.62 114.25 2bs3 n SER 131 Ca 0.16 -1.59 -0.23 0.00 -0.26 0.00 0.00 58.87 56.94 2bs3 n SER 131 Cb 0.15 0.16 -0.05 0.00 -0.26 0.00 0.00 64.21 64.22 2bs3 n SER 131 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2bs3 s LYS 132 N -2.22 2.35 0.44 4.33 1.02 -1.04 -5.09 119.74 119.53 2bs3 s LYS 132 Ca 0.26 -1.75 -0.25 0.00 0.02 0.00 0.00 55.97 54.26 2bs3 s LYS 132 Cb 0.19 -2.15 -0.09 0.00 -0.52 0.00 0.00 37.83 35.27 2bs3 s LYS 132 CO 0.42 -0.21 1.26 1.28 -0.92 0.00 0.00 175.35 177.18 2bs3 n LEU 133 N -1.42 4.14 -4.78 3.17 7.99 -1.26 -4.95 117.00 119.88 2bs3 n LEU 133 Ca 0.01 1.08 -0.32 0.00 -0.01 0.00 0.00 56.01 56.76 2bs3 n LEU 133 Cb 0.63 -1.50 0.05 0.00 -0.11 0.00 0.00 43.42 42.49 2bs3 n LEU 133 CO 0.44 -0.72 0.73 -1.83 -1.51 0.00 0.00 177.39 174.49 2bs3 s GLU 134 N -2.30 2.85 0.31 3.23 1.03 -1.26 -4.97 118.70 117.58 2bs3 s GLU 134 Ca 0.63 1.27 -0.29 0.00 0.03 0.00 0.00 54.97 56.60 2bs3 s GLU 134 Cb -0.49 -1.97 -0.10 0.00 -0.80 0.00 0.00 34.13 30.77 2bs3 s GLU 134 CO 0.56 -1.19 1.25 -1.21 -1.33 0.00 0.00 175.26 173.34 2bs3 s GLU 135 N -4.32 4.44 0.42 -4.83 2.02 -1.26 -4.97 118.70 110.21 2bs3 s GLU 135 Ca 0.64 2.09 -0.24 0.00 0.02 0.00 0.00 54.97 57.49 2bs3 s GLU 135 Cb -0.18 -3.11 -0.08 0.00 0.10 0.00 0.00 34.13 30.86 2bs3 s GLU 135 CO 0.44 -0.07 1.09 1.03 0.02 0.00 0.00 175.26 177.77 2bs3 s ARG 136 N -1.65 4.02 -0.01 1.61 0.52 -1.26 -5.06 118.95 117.12 2bs3 s ARG 136 Ca 0.48 1.61 0.00 0.00 -0.52 0.00 0.00 55.73 57.30 2bs3 s ARG 136 Cb -0.37 -2.49 0.01 0.00 0.52 0.00 0.00 34.95 32.62 2bs3 s ARG 136 CO 0.49 -0.29 0.01 0.42 0.02 0.00 0.00 175.30 175.95 2bs3 s ILE 137 N -1.62 0.02 0.25 1.52 -1.09 -1.26 -5.12 121.20 113.90 2bs3 s ILE 137 Ca 0.60 0.07 -0.31 0.00 -2.23 0.00 0.00 60.65 58.79 2bs3 s ILE 137 Cb -0.24 -0.08 -0.11 0.00 -1.58 0.00 0.00 42.46 40.44 2bs3 s ILE 137 CO 0.30 0.05 1.57 -1.61 -1.23 0.00 0.00 174.94 174.03 2bs3 s GLU 138 N 0.48 4.17 0.44 2.79 0.41 -1.26 -4.87 118.70 120.86 2bs3 s GLU 138 Ca -0.04 2.48 0.17 0.00 -0.41 0.00 0.00 54.97 57.17 2bs3 s GLU 138 Cb -0.06 -3.07 1.10 0.00 -1.78 0.00 0.00 34.13 30.31 2bs3 s GLU 138 CO -0.01 -0.59 1.92 -1.00 -0.49 0.00 0.00 175.26 175.09 2bs3 h PRO 139 N 5.51 0.35 -0.38 0.39 0.13 -2.00 -0.52 132.00 135.48 2bs3 h PRO 139 Ca -0.45 -0.02 -0.10 0.00 -0.87 0.00 0.00 66.00 64.56 2bs3 h PRO 139 Cb 1.21 -0.08 -0.02 0.00 0.13 0.00 0.00 31.00 32.25 2bs3 h PRO 139 CO 0.83 0.23 -0.16 0.93 -0.23 0.00 0.00 178.00 179.61 2bs3 h GLU 140 N 0.36 0.71 -0.32 0.86 3.07 -1.99 -1.79 114.58 115.47 2bs3 h GLU 140 Ca 0.36 -0.25 -0.09 0.00 -0.50 0.00 0.00 59.36 58.89 2bs3 h GLU 140 Cb 0.90 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 28.75 2bs3 h GLU 140 CO -0.11 0.83 -0.14 0.28 -1.40 0.00 0.00 179.01 178.47 2bs3 h VAL 141 N 0.63 1.29 -0.91 3.13 2.07 -1.48 -1.53 116.25 119.45 2bs3 h VAL 141 Ca 0.10 -1.24 0.01 0.00 0.82 0.00 0.00 66.70 66.39 2bs3 h VAL 141 Cb 0.63 1.41 -0.04 0.00 -1.52 0.00 0.00 31.29 31.76 2bs3 h VAL 141 CO 0.04 0.40 0.60 0.00 0.02 0.00 0.00 177.57 178.64 2bs3 h ALA 142 N 0.78 1.15 -0.66 1.67 0.00 -1.23 -1.35 119.26 119.62 2bs3 h ALA 142 Ca 0.07 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 2bs3 h ALA 142 Cb 0.67 -0.37 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 2bs3 h ALA 142 CO 0.04 0.55 0.10 0.37 0.00 0.00 0.00 179.25 180.32 2bs3 h GLN 143 N 1.23 1.10 -0.49 0.00 5.75 -1.16 -0.99 115.11 120.55 2bs3 h GLN 143 Ca 0.33 -0.30 -0.04 0.00 -0.15 0.00 0.00 58.65 58.49 2bs3 h GLN 143 Cb -0.14 -0.13 -0.02 0.00 1.07 0.00 0.00 27.48 28.26 2bs3 h GLN 143 CO -0.07 1.01 0.14 0.93 -2.65 0.00 0.00 178.83 178.18 2bs3 h GLU 144 N 1.02 0.78 -0.38 1.69 5.08 -0.73 -1.45 114.58 120.58 2bs3 h GLU 144 Ca 0.20 -0.18 -0.02 0.00 -1.00 0.00 0.00 59.36 58.36 2bs3 h GLU 144 Cb 0.45 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.57 2bs3 h GLU 144 CO 0.01 0.75 0.15 0.28 -1.00 0.00 0.00 179.01 179.20 2bs3 h VAL 145 N 0.67 1.19 -0.75 3.13 2.07 -1.12 -2.80 116.25 118.65 2bs3 h VAL 145 Ca 0.16 -0.60 0.08 0.00 0.82 0.00 0.00 66.70 67.16 2bs3 h VAL 145 Cb 0.30 0.87 -0.07 0.00 -1.52 0.00 0.00 31.29 30.88 2bs3 h VAL 145 CO -0.00 0.22 0.42 0.15 0.02 0.00 0.00 177.57 178.37 2bs3 h PHE 146 N 0.47 0.76 -0.74 1.57 3.57 -0.97 -0.34 116.94 121.26 2bs3 h PHE 146 Ca 0.13 0.03 0.13 0.00 3.53 0.00 0.00 57.97 61.78 2bs3 h PHE 146 Cb 0.19 -0.23 -0.09 0.00 2.79 0.00 0.00 35.95 38.62 2bs3 h PHE 146 CO -0.00 0.33 0.33 1.49 -2.23 0.00 0.00 178.31 178.23 2bs3 h GLU 147 N 0.73 0.49 0.00 1.11 4.81 -1.00 -0.99 114.58 119.73 2bs3 h GLU 147 Ca 0.35 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.55 2bs3 h GLU 147 Cb 0.28 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.55 2bs3 h GLU 147 CO -0.22 0.33 -0.40 -0.07 -0.73 0.00 0.00 179.01 177.91 2bs3 h LEU 148 N 0.51 0.00 0.00 1.64 3.38 -1.36 -3.24 115.31 116.24 2bs3 h LEU 148 Ca 0.40 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.36 2bs3 h LEU 148 Cb 0.54 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.29 2bs3 h LEU 148 CO -0.35 0.00 0.00 -0.67 0.09 0.00 0.00 178.44 177.51 2bs3 n ASP 149 N -2.93 0.00 0.02 -0.43 2.03 -0.19 -3.57 116.55 111.48 2bs3 n ASP 149 Ca 0.02 0.12 0.09 0.00 0.52 0.00 0.00 54.79 55.54 2bs3 n ASP 149 Cb 0.54 -0.37 0.38 0.00 -0.72 0.00 0.00 41.12 40.95 2bs3 n ASP 149 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2bs3 n ARG 150 N -1.37 0.03 -1.63 -0.67 1.74 -0.68 -4.84 116.66 109.24 2bs3 n ARG 150 Ca 0.11 0.23 -0.49 0.00 -0.77 0.00 0.00 57.85 56.94 2bs3 n ARG 150 Cb 0.28 -1.56 -0.05 0.00 -1.02 0.00 0.00 32.46 30.12 2bs3 n ARG 150 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2bs3 n ILE 152 N 2.83 2.11 -4.15 0.00 -5.35 -1.26 -4.97 119.36 108.57 2bs3 n ILE 152 Ca 0.17 -1.44 -0.29 0.00 -0.27 0.00 0.00 62.75 60.92 2bs3 n ILE 152 Cb 0.24 -0.04 -0.05 0.00 -1.74 0.00 0.00 39.64 38.05 2bs3 n ILE 152 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 2bs3 n GLU 153 N 0.43 -2.27 0.16 6.28 1.02 -1.26 -4.17 120.64 120.83 2bs3 n GLU 153 Ca 0.23 0.27 0.05 0.00 -0.02 0.00 0.00 57.16 57.69 2bs3 n GLU 153 Cb 0.91 -4.23 0.08 0.00 -0.02 0.00 0.00 31.44 28.18 2bs3 n GLU 153 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2bs3 n GLY 155 N 1.14 1.11 0.35 0.00 0.00 -1.26 -4.55 105.19 101.98 2bs3 n GLY 155 Ca 0.02 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.04 2bs3 n GLY 155 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bs3 h ILE 158 N 0.00 1.32 0.00 0.00 1.08 -1.73 -3.22 117.51 114.96 2bs3 h ILE 158 Ca 0.00 -2.44 -0.08 0.00 -0.39 0.00 0.00 64.86 61.95 2bs3 h ILE 158 Cb 0.65 2.97 -0.01 0.00 -3.07 0.00 0.00 36.82 37.37 2bs3 h ILE 158 CO 0.00 0.67 -0.40 0.00 -0.69 0.00 0.00 178.15 177.73 2bs3 h ALA 159 N -0.02 1.04 0.00 1.87 0.00 -1.20 -2.97 119.26 117.98 2bs3 h ALA 159 Ca -0.20 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.35 2bs3 h ALA 159 Cb 1.59 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.32 2bs3 h ALA 159 CO 0.07 0.50 0.00 0.00 0.00 0.00 0.00 179.25 179.82 2bs3 h ALA 160 N 1.60 1.00 -1.65 0.00 0.00 -1.27 -3.44 119.26 115.49 2bs3 h ALA 160 Ca -0.00 0.00 -0.57 0.00 0.00 0.00 0.00 54.91 54.34 2bs3 h ALA 160 Cb 0.87 0.00 -0.09 0.00 0.00 0.00 0.00 17.79 18.58 2bs3 h ALA 160 CO 0.05 0.00 0.87 0.00 0.00 0.00 0.00 179.25 180.17 2bs3 h GLY 162 N 11.62 0.26 0.92 0.00 0.00 -1.87 -1.69 103.07 112.31 2bs3 h GLY 162 Ca -0.25 -0.08 -0.01 0.00 0.00 0.00 0.00 47.33 46.98 2bs3 h GLY 162 CO 1.16 0.07 0.11 -0.84 0.00 0.00 0.00 176.54 177.03 2bs3 h THR 163 N 0.21 1.15 -0.51 4.70 2.02 -1.94 -2.17 112.91 116.37 2bs3 h THR 163 Ca 0.15 -0.45 -0.03 0.00 0.77 0.00 0.00 66.41 66.86 2bs3 h THR 163 Cb 0.34 0.99 -0.02 0.00 -1.74 0.00 0.00 68.15 67.73 2bs3 h THR 163 CO -0.03 0.15 0.21 0.11 0.37 0.00 0.00 175.52 176.34 2bs3 h LYS 164 N 0.26 0.75 -0.90 6.66 1.79 -1.54 0.19 116.57 123.79 2bs3 h LYS 164 Ca 0.08 -0.13 0.08 0.00 -2.18 0.00 0.00 60.65 58.50 2bs3 h LYS 164 Cb 0.14 -0.12 -0.07 0.00 -1.58 0.00 0.00 32.23 30.60 2bs3 h LYS 164 CO -0.01 0.66 0.55 0.82 -1.08 0.00 0.00 179.45 180.39 2bs3 h ILE 165 N 0.67 1.01 0.22 1.86 2.04 -1.25 -2.92 117.51 119.14 2bs3 h ILE 165 Ca 0.17 -0.34 -0.31 0.00 1.00 0.00 0.00 64.86 65.38 2bs3 h ILE 165 Cb 0.18 -0.05 0.04 0.00 -0.74 0.00 0.00 36.82 36.24 2bs3 h ILE 165 CO -0.02 0.18 -1.36 0.24 0.00 0.00 0.00 178.15 177.20 2bs3 h MET 166 N 0.98 0.53 -3.98 2.37 2.86 -1.06 -3.42 114.93 113.21 2bs3 h MET 166 Ca 0.40 -0.87 -0.64 0.00 -2.06 0.00 0.00 59.70 56.54 2bs3 h MET 166 Cb 0.24 0.32 -0.40 0.00 0.06 0.00 0.00 31.60 31.81 2bs3 h MET 166 CO -0.20 1.41 -0.69 1.03 1.06 0.00 0.00 176.91 179.52 2bs3 s ARG 167 N -2.66 1.58 0.61 1.72 0.52 0.65 -5.00 118.95 116.37 2bs3 s ARG 167 Ca -0.10 -2.09 0.33 0.00 -0.52 0.00 0.00 55.73 53.35 2bs3 s ARG 167 Cb 0.04 -3.07 1.93 0.00 0.52 0.00 0.00 34.95 34.36 2bs3 s ARG 167 CO 0.93 -1.02 2.23 1.05 0.02 0.00 0.00 175.30 178.51 2bs3 h GLU 168 N 7.17 0.00 -0.00 3.54 4.11 -1.80 -2.26 114.58 125.33 2bs3 h GLU 168 Ca -0.06 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.37 2bs3 h GLU 168 Cb 0.96 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.21 2bs3 h GLU 168 CO 0.57 0.00 -0.03 -0.25 0.07 0.00 0.00 179.01 179.37 2bs3 n ASP 169 N -3.61 0.14 -4.73 3.06 8.00 -1.26 -4.85 116.55 113.30 2bs3 n ASP 169 Ca -0.02 -0.34 -0.42 0.00 0.71 0.00 0.00 54.79 54.72 2bs3 n ASP 169 Cb 0.15 -0.20 -0.03 0.00 -0.02 0.00 0.00 41.12 41.03 2bs3 n ASP 169 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 2bs3 s PHE 170 N -2.49 2.88 0.39 1.24 5.36 -0.85 -4.80 117.98 119.70 2bs3 s PHE 170 Ca 0.30 0.51 0.36 0.00 -0.96 0.00 0.00 56.93 57.14 2bs3 s PHE 170 Cb 0.20 -4.09 1.77 0.00 -0.34 0.00 0.00 43.02 40.56 2bs3 s PHE 170 CO 0.46 -3.99 2.15 -0.24 -1.46 0.00 0.00 175.22 172.13 2bs3 h VAL 171 N 3.70 0.16 0.00 3.12 3.04 -1.28 -3.49 116.25 121.51 2bs3 h VAL 171 Ca -0.44 -0.34 0.00 0.00 -1.01 0.00 0.00 66.70 64.91 2bs3 h VAL 171 Cb 1.21 1.28 0.00 0.00 -2.01 0.00 0.00 31.29 31.77 2bs3 h VAL 171 CO 0.90 0.03 0.00 0.61 -1.01 0.00 0.00 177.57 178.11 2bs3 n GLY 172 N -0.57 -1.85 0.34 3.17 0.00 -1.26 -3.65 105.19 101.38 2bs3 n GLY 172 Ca -0.01 -1.52 -0.02 0.00 0.00 0.00 0.00 46.02 44.47 2bs3 n GLY 172 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bs3 h ALA 173 N 0.00 1.18 -0.48 4.61 0.00 -1.94 -1.91 119.26 120.72 2bs3 h ALA 173 Ca 0.00 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 2bs3 h ALA 173 Cb 0.00 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.44 2bs3 h ALA 173 CO 0.00 0.48 0.19 0.00 0.00 0.00 0.00 179.25 179.91 2bs3 h ALA 174 N 1.36 1.43 -0.25 0.00 0.00 -1.90 -0.00 119.26 119.90 2bs3 h ALA 174 Ca 0.35 -0.13 -0.19 0.00 0.00 0.00 0.00 54.91 54.94 2bs3 h ALA 174 Cb -0.04 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.56 2bs3 h ALA 174 CO -0.11 0.44 -0.58 0.78 0.00 0.00 0.00 179.25 179.78 2bs3 h GLY 175 N 0.83 0.87 1.24 0.00 0.00 -1.44 -1.75 103.07 102.83 2bs3 h GLY 175 Ca 0.17 -1.05 -0.12 0.00 0.00 0.00 0.00 47.33 46.32 2bs3 h GLY 175 CO -0.02 0.94 -0.23 1.41 0.00 0.00 0.00 176.54 178.64 2bs3 h LEU 176 N 0.60 0.89 -0.77 3.11 3.38 -0.97 -2.41 115.31 119.15 2bs3 h LEU 176 Ca 0.00 -0.33 -0.07 0.00 0.09 0.00 0.00 57.88 57.57 2bs3 h LEU 176 Cb 1.18 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.66 2bs3 h LEU 176 CO 0.12 1.08 0.11 -1.13 0.09 0.00 0.00 178.44 178.72 2bs3 h ASN 177 N 0.75 0.99 -0.61 -0.43 -0.73 -0.95 -2.69 115.58 111.90 2bs3 h ASN 177 Ca 0.10 -0.23 -0.04 0.00 1.87 0.00 0.00 56.30 58.00 2bs3 h ASN 177 Cb 0.78 -0.26 -0.03 0.00 0.27 0.00 0.00 38.32 39.07 2bs3 h ASN 177 CO 0.06 0.98 0.24 -0.09 -0.37 0.00 0.00 177.43 178.26 2bs3 h ARG 178 N 0.98 0.96 -0.32 6.67 9.65 -1.07 -0.59 114.38 130.65 2bs3 h ARG 178 Ca 0.20 -0.17 -0.02 0.00 -1.10 0.00 0.00 59.98 58.89 2bs3 h ARG 178 Cb 0.41 -0.16 -0.01 0.00 -1.39 0.00 0.00 29.97 28.82 2bs3 h ARG 178 CO 0.01 0.80 0.10 0.28 2.80 0.00 0.00 179.97 183.96 2bs3 h VAL 179 N 0.94 1.20 -0.70 0.20 2.07 -1.18 -2.82 116.25 115.95 2bs3 h VAL 179 Ca 0.22 -0.65 -0.06 0.00 0.82 0.00 0.00 66.70 67.03 2bs3 h VAL 179 Cb 0.21 1.02 -0.03 0.00 -1.52 0.00 0.00 31.29 30.97 2bs3 h VAL 179 CO -0.02 0.22 0.21 0.58 0.02 0.00 0.00 177.57 178.58 2bs3 h VAL 180 N 0.36 1.26 -0.68 2.57 2.07 -1.16 -0.74 116.25 119.93 2bs3 h VAL 180 Ca 0.10 -0.90 0.12 0.00 0.82 0.00 0.00 66.70 66.84 2bs3 h VAL 180 Cb 0.24 0.49 -0.04 0.00 -1.52 0.00 0.00 31.29 30.46 2bs3 h VAL 180 CO -0.00 0.35 0.46 -0.09 0.02 0.00 0.00 177.57 178.30 2bs3 h ARG 181 N 1.05 0.43 0.01 1.57 1.12 -0.87 -1.12 114.38 116.56 2bs3 h ARG 181 Ca 0.23 -0.03 -0.29 0.00 -1.11 0.00 0.00 59.98 58.78 2bs3 h ARG 181 Cb 0.31 -0.10 -0.04 0.00 -0.01 0.00 0.00 29.97 30.13 2bs3 h ARG 181 CO -0.01 0.28 -1.65 0.74 -3.11 0.00 0.00 179.97 176.22 2bs3 h PHE 182 N 0.44 0.05 -0.75 2.20 0.04 -1.27 -3.29 116.94 114.37 2bs3 h PHE 182 Ca 0.32 -0.04 0.04 0.00 2.80 0.00 0.00 57.97 61.10 2bs3 h PHE 182 Cb 0.66 -0.00 -0.05 0.00 2.20 0.00 0.00 35.95 38.76 2bs3 h PHE 182 CO -0.00 1.07 0.46 1.98 -0.60 0.00 0.00 178.31 181.22 2bs3 h MET 183 N 0.01 0.85 -0.14 1.51 4.05 -0.16 -2.04 114.93 119.01 2bs3 h MET 183 Ca -0.27 -0.05 0.00 0.00 -0.28 0.00 0.00 59.70 59.10 2bs3 h MET 183 Cb 1.99 -0.19 0.00 0.00 -0.80 0.00 0.00 31.60 32.60 2bs3 h MET 183 CO 0.09 0.56 0.00 0.44 0.23 0.00 0.00 176.91 178.23 2bs3 n ILE 184 N -4.67 0.18 -3.18 1.77 -5.35 -0.52 -4.81 119.36 102.78 2bs3 n ILE 184 Ca 0.09 -0.30 -0.41 0.00 -0.27 0.00 0.00 62.75 61.86 2bs3 n ILE 184 Cb 0.12 0.30 -0.07 0.00 -1.74 0.00 0.00 39.64 38.25 2bs3 n ILE 184 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 2bs3 s ASP 185 N -1.59 6.42 0.63 7.28 -1.08 -0.77 -4.87 116.67 122.71 2bs3 s ASP 185 Ca 0.32 0.32 0.36 0.00 -0.52 0.00 0.00 52.55 53.02 2bs3 s ASP 185 Cb 0.17 -2.30 1.99 0.00 -1.46 0.00 0.00 42.92 41.33 2bs3 s ASP 185 CO 0.26 -0.43 2.20 -0.65 0.52 0.00 0.00 175.17 177.08 2bs3 h PRO 186 N 8.23 0.00 0.00 4.34 0.11 -1.87 -1.72 132.00 141.08 2bs3 h PRO 186 Ca -0.28 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.75 2bs3 h PRO 186 Cb 1.13 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 2bs3 h PRO 186 CO 0.77 0.00 -0.38 0.45 -0.21 0.00 0.00 178.00 178.63 2bs3 h HIS 187 N 0.00 0.00 -3.41 0.65 3.86 -1.92 -3.43 115.15 110.91 2bs3 h HIS 187 Ca 0.02 0.00 -0.59 0.00 -1.16 0.00 0.00 60.37 58.65 2bs3 h HIS 187 Cb 0.25 0.00 -0.09 0.00 1.06 0.00 0.00 27.41 28.63 2bs3 h HIS 187 CO 0.00 0.38 0.02 0.34 0.86 0.00 0.00 177.93 179.53 2bs3 s ASP 188 N -6.44 6.69 0.00 2.45 -1.08 -0.65 -4.55 116.67 113.09 2bs3 s ASP 188 Ca 0.00 0.83 0.22 0.00 -0.52 0.00 0.00 52.55 53.08 2bs3 s ASP 188 Cb 0.11 -2.33 0.77 0.00 -1.46 0.00 0.00 42.92 40.00 2bs3 s ASP 188 CO 0.69 -0.18 1.56 -0.62 0.52 0.00 0.00 175.17 177.14 2bs3 n GLU 189 N 4.57 1.77 -1.98 4.34 1.02 0.37 -4.88 120.64 125.85 2bs3 n GLU 189 Ca -0.03 -1.15 -0.38 0.00 -0.02 0.00 0.00 57.16 55.57 2bs3 n GLU 189 Cb 0.50 -1.41 0.01 0.00 -0.02 0.00 0.00 31.44 30.52 2bs3 n GLU 189 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 2bs3 s ARG 190 N -1.81 3.56 0.52 3.49 0.52 -1.26 -5.03 118.95 118.95 2bs3 s ARG 190 Ca 0.33 2.11 0.09 0.00 -0.52 0.00 0.00 55.73 57.74 2bs3 s ARG 190 Cb 0.18 -2.46 0.06 0.00 0.52 0.00 0.00 34.95 33.26 2bs3 s ARG 190 CO 0.28 -0.81 0.70 0.95 0.02 0.00 0.00 175.30 176.43 2bs3 s THR 191 N -1.35 2.37 0.34 0.02 -4.23 -1.26 -4.97 115.64 106.56 2bs3 s THR 191 Ca 0.65 -1.04 0.02 0.00 -1.18 0.00 0.00 61.69 60.15 2bs3 s THR 191 Cb -0.37 -2.41 0.27 0.00 1.34 0.00 0.00 72.50 71.33 2bs3 s THR 191 CO 0.45 0.00 1.99 0.44 -0.54 0.00 0.00 174.62 176.96 2bs3 h ASP 192 N 0.36 0.76 -0.39 3.99 5.19 -1.98 -1.89 116.42 122.46 2bs3 h ASP 192 Ca -0.33 -0.01 -0.06 0.00 -0.62 0.00 0.00 57.03 56.00 2bs3 h ASP 192 Cb 1.29 -0.18 -0.02 0.00 0.18 0.00 0.00 39.33 40.59 2bs3 h ASP 192 CO 0.43 0.53 0.03 1.05 -3.12 0.00 0.00 179.24 178.16 2bs3 h GLU 193 N 0.89 0.75 -0.28 3.56 9.09 -1.96 -1.11 114.58 125.52 2bs3 h GLU 193 Ca 0.27 -0.18 -0.02 0.00 0.05 0.00 0.00 59.36 59.48 2bs3 h GLU 193 Cb 0.00 -0.10 -0.01 0.00 -1.65 0.00 0.00 28.75 26.99 2bs3 h GLU 193 CO -0.07 0.75 0.11 -0.44 0.05 0.00 0.00 179.01 179.40 2bs3 h ASP 194 N 0.71 0.39 -0.16 3.06 3.32 -1.73 -2.58 116.42 119.43 2bs3 h ASP 194 Ca 0.15 -0.17 -0.04 0.00 0.02 0.00 0.00 57.03 56.98 2bs3 h ASP 194 Cb 0.40 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.83 2bs3 h ASP 194 CO 0.01 0.45 -0.01 1.88 -1.72 0.00 0.00 179.24 179.86 2bs3 h TYR 195 N 0.30 0.43 -0.80 4.55 0.05 -1.18 -2.11 116.97 118.20 2bs3 h TYR 195 Ca 0.09 -0.04 -0.02 0.00 0.05 0.00 0.00 58.73 58.82 2bs3 h TYR 195 Cb 0.19 -0.13 -0.04 0.00 1.01 0.00 0.00 36.73 37.76 2bs3 h TYR 195 CO -0.01 0.44 0.42 -0.92 -1.05 0.00 0.00 178.16 177.04 2bs3 h TYR 196 N 0.40 1.11 0.00 4.88 5.03 -0.84 -0.27 116.97 127.30 2bs3 h TYR 196 Ca 0.09 -0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.37 2bs3 h TYR 196 Cb 0.28 -0.35 0.00 0.00 1.55 0.00 0.00 36.73 38.21 2bs3 h TYR 196 CO 0.01 0.79 0.00 0.93 -1.32 0.00 0.00 178.16 178.56 2bs3 h GLU 197 N 1.13 0.00 0.00 1.82 4.39 -1.02 0.46 114.58 121.37 2bs3 h GLU 197 Ca 0.28 0.00 -0.16 0.00 0.34 0.00 0.00 59.36 59.82 2bs3 h GLU 197 Cb 0.06 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.69 2bs3 h GLU 197 CO -0.04 0.00 -1.02 -0.07 -1.16 0.00 0.00 179.01 176.72 2bs3 h LEU 198 N 0.00 0.00 -2.84 1.33 3.38 -1.03 -3.43 115.31 112.72 2bs3 h LEU 198 Ca 0.00 -0.36 0.00 0.00 0.09 0.00 0.00 57.88 57.61 2bs3 h LEU 198 Cb 0.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.96 2bs3 h LEU 198 CO 0.00 1.27 -0.07 2.30 0.09 0.00 0.00 178.44 182.02 2bs3 n ILE 199 N -4.49 1.57 -1.72 1.22 -6.64 -0.52 -4.86 119.36 103.92 2bs3 n ILE 199 Ca -0.24 -1.88 -0.35 0.00 -1.77 0.00 0.00 62.75 58.51 2bs3 n ILE 199 Cb 0.55 -0.10 -0.03 0.00 -1.44 0.00 0.00 39.64 38.62 2bs3 n ILE 199 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 2bs3 n GLY 200 N -1.19 4.74 3.28 3.28 0.00 0.16 -1.71 105.19 113.75 2bs3 n GLY 200 Ca 0.13 -1.89 -0.11 0.00 0.00 0.00 0.00 46.02 44.15 2bs3 n GLY 200 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2bs3 n ASP 201 N 1.78 -1.64 0.02 1.61 5.68 -1.26 -4.94 116.55 117.79 2bs3 n ASP 201 Ca 0.60 -2.63 0.07 0.00 -0.50 0.00 0.00 54.79 52.33 2bs3 n ASP 201 Cb 0.37 2.88 0.32 0.00 -1.14 0.00 0.00 41.12 43.55 2bs3 n ASP 201 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 2bs3 n ASP 202 N -1.58 0.11 -0.24 -1.12 8.00 -1.26 -1.00 116.55 119.46 2bs3 n ASP 202 Ca -0.03 0.53 0.11 0.00 0.71 0.00 0.00 54.79 56.11 2bs3 n ASP 202 Cb 0.55 -0.55 0.05 0.00 -0.02 0.00 0.00 41.12 41.14 2bs3 n ASP 202 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 2bs3 n ASP 203 N -1.63 1.37 0.00 -2.24 8.00 -1.26 -3.63 116.55 117.17 2bs3 n ASP 203 Ca 0.03 -1.11 0.00 0.00 0.71 0.00 0.00 54.79 54.42 2bs3 n ASP 203 Cb 0.17 0.57 0.00 0.00 -0.02 0.00 0.00 41.12 41.83 2bs3 n ASP 203 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2bs3 n GLY 204 N 1.44 2.04 0.34 0.44 0.00 -0.17 -0.84 105.19 108.45 2bs3 n GLY 204 Ca 0.08 -0.96 0.08 0.00 0.00 0.00 0.00 46.02 45.22 2bs3 n GLY 204 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 2bs3 h VAL 205 N 0.00 0.98 0.00 1.61 3.04 -1.44 -1.18 116.25 119.27 2bs3 h VAL 205 Ca 0.00 -0.19 0.00 0.00 -1.01 0.00 0.00 66.70 65.50 2bs3 h VAL 205 Cb 0.00 0.37 0.00 0.00 -2.01 0.00 0.00 31.29 29.65 2bs3 h VAL 205 CO 0.00 0.10 0.00 0.49 -1.01 0.00 0.00 177.57 177.15 2bs3 n PHE 206 N -4.48 0.00 0.78 3.17 3.72 -1.21 -2.38 117.46 117.07 2bs3 n PHE 206 Ca 0.09 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.60 2bs3 n PHE 206 Cb 0.26 -0.22 0.16 0.00 -0.94 0.00 0.00 39.48 38.74 2bs3 n PHE 206 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2bs3 n GLY 207 N 0.79 -1.28 3.72 1.37 0.00 -0.45 -4.87 105.19 104.47 2bs3 n GLY 207 Ca 0.14 -0.34 -0.42 0.00 0.00 0.00 0.00 46.02 45.40 2bs3 n GLY 207 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bs3 n MET 209 N 3.59 3.09 -3.78 0.00 0.00 -1.26 -4.98 117.12 113.79 2bs3 n MET 209 Ca 0.09 -2.60 -0.24 0.00 0.00 0.00 0.00 57.70 54.95 2bs3 n MET 209 Cb 0.44 -1.61 0.03 0.00 0.00 0.00 0.00 33.22 32.07 2bs3 n MET 209 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 175.97 178.38 2bs3 n THR 210 N 1.09 -3.71 0.16 2.03 -1.04 -1.26 -4.86 114.28 106.68 2bs3 n THR 210 Ca 0.22 -0.37 0.03 0.00 -2.04 0.00 0.00 64.05 61.88 2bs3 n THR 210 Cb 0.68 -3.43 0.21 0.00 -1.82 0.00 0.00 70.33 65.97 2bs3 n THR 210 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 2bs3 h LEU 211 N -1.92 0.00 0.26 -4.42 3.38 -2.01 -3.47 115.31 107.14 2bs3 h LEU 211 Ca -0.61 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.25 2bs3 h LEU 211 Cb 1.36 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 42.07 2bs3 h LEU 211 CO 0.60 0.49 -0.10 0.18 0.09 0.00 0.00 178.44 179.70 2bs3 n LEU 212 N -3.51 0.13 0.19 1.67 4.77 -1.26 -4.85 117.00 114.14 2bs3 n LEU 212 Ca -0.00 0.14 0.04 0.00 -0.03 0.00 0.00 56.01 56.15 2bs3 n LEU 212 Cb 0.60 -2.18 0.39 0.00 -2.33 0.00 0.00 43.42 39.91 2bs3 n LEU 212 CO 0.39 -0.82 0.75 0.00 -1.33 0.00 0.00 177.39 176.38 2bs3 h ALA 213 N 0.00 1.35 -0.05 -1.18 0.00 -1.91 -2.59 119.26 114.89 2bs3 h ALA 213 Ca -0.11 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.48 2bs3 h ALA 213 Cb 0.89 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.62 2bs3 h ALA 213 CO 0.17 0.43 0.03 0.00 0.00 0.00 0.00 179.25 179.88 2bs3 h HIS 215 N 0.05 0.96 0.00 0.00 6.17 -1.85 -1.88 115.15 118.61 2bs3 h HIS 215 Ca 0.02 0.02 0.00 0.00 0.71 0.00 0.00 60.37 61.12 2bs3 h HIS 215 Cb 0.00 -0.33 0.00 0.00 2.52 0.00 0.00 27.41 29.61 2bs3 h HIS 215 CO -0.07 0.60 0.00 -0.25 0.71 0.00 0.00 177.93 178.92 2bs3 n ASP 216 N -4.55 0.51 -0.00 3.26 8.00 -1.00 -3.68 116.55 119.09 2bs3 n ASP 216 Ca 0.08 0.58 0.03 0.00 0.71 0.00 0.00 54.79 56.18 2bs3 n ASP 216 Cb 0.02 -0.70 -0.04 0.00 -0.02 0.00 0.00 41.12 40.38 2bs3 n ASP 216 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 2bs3 n VAL 217 N -2.01 0.00 -1.53 2.53 0.24 -0.77 -5.00 118.33 111.79 2bs3 n VAL 217 Ca 0.05 -0.29 -0.49 0.00 -2.04 0.00 0.00 64.34 61.57 2bs3 n VAL 217 Cb 0.33 0.83 -0.06 0.00 -1.47 0.00 0.00 33.84 33.46 2bs3 n VAL 217 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2bs3 h PRO 219 N 12.34 0.00 -0.15 0.00 0.13 -1.93 -0.76 132.00 141.62 2bs3 h PRO 219 Ca -0.34 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 2bs3 h PRO 219 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 2bs3 h PRO 219 CO 0.99 0.00 0.00 1.63 -0.23 0.00 0.00 178.00 180.39 2bs3 n LYS 220 N -2.32 2.10 -3.88 0.86 4.76 -1.26 -4.99 118.16 113.43 2bs3 n LYS 220 Ca -0.01 -1.92 -0.28 0.00 -2.87 0.00 0.00 58.31 53.24 2bs3 n LYS 220 Cb 0.08 -1.43 0.02 0.00 -1.84 0.00 0.00 35.03 31.87 2bs3 n LYS 220 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 2bs3 n ASN 221 N 1.24 -3.44 -4.77 4.39 3.02 -0.29 -4.94 115.26 110.47 2bs3 n ASN 221 Ca 0.14 -0.82 -0.35 0.00 -0.03 0.00 0.00 54.58 53.52 2bs3 n ASN 221 Cb 0.54 -3.82 0.01 0.00 -0.61 0.00 0.00 39.78 35.90 2bs3 n ASN 221 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2bs3 s LEU 222 N -7.10 3.74 -1.54 3.41 1.02 -1.26 -4.88 118.68 112.06 2bs3 s LEU 222 Ca 0.44 2.23 -0.10 0.00 0.02 0.00 0.00 54.13 56.73 2bs3 s LEU 222 Cb -0.22 -4.58 -0.07 0.00 0.02 0.00 0.00 46.19 41.34 2bs3 s LEU 222 CO 0.83 -1.30 2.81 -0.81 0.02 0.00 0.00 176.35 177.90 2bs3 n PRO 223 N -1.35 3.46 -0.15 1.29 -0.04 -1.26 -4.68 135.00 132.27 2bs3 n PRO 223 Ca 0.12 -2.17 -0.08 0.00 -0.04 0.00 0.00 63.50 61.33 2bs3 n PRO 223 Cb 0.51 -2.82 0.01 0.00 -0.04 0.00 0.00 33.50 31.15 2bs3 n PRO 223 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 2bs3 h LEU 224 N 7.49 0.55 -0.02 1.53 3.38 -1.92 -2.15 115.31 124.16 2bs3 h LEU 224 Ca 0.81 -0.06 0.03 0.00 0.09 0.00 0.00 57.88 58.75 2bs3 h LEU 224 Cb 0.31 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 40.87 2bs3 h LEU 224 CO 1.77 0.45 -0.35 -0.61 0.09 0.00 0.00 178.44 179.79 2bs3 h GLN 225 N 0.60 -0.48 -0.01 1.13 -0.00 -1.95 0.53 115.11 114.92 2bs3 h GLN 225 Ca 0.16 0.03 -0.14 0.00 -0.00 0.00 0.00 58.65 58.70 2bs3 h GLN 225 Cb 0.01 0.11 -0.02 0.00 0.00 0.00 0.00 27.48 27.58 2bs3 h GLN 225 CO -0.03 -0.32 -0.67 0.66 0.00 0.00 0.00 178.83 178.47 2bs3 h SER 226 N -0.50 0.05 0.11 -0.69 4.64 -1.96 -2.81 113.55 112.38 2bs3 h SER 226 Ca 0.06 -0.03 -0.20 0.00 -0.47 0.00 0.00 61.79 61.14 2bs3 h SER 226 Cb 0.59 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.67 2bs3 h SER 226 CO -0.29 0.71 -0.77 0.50 -0.87 0.00 0.00 176.83 176.10 2bs3 h LYS 227 N 0.03 0.56 -0.33 4.77 1.63 -1.14 -1.01 116.57 121.08 2bs3 h LYS 227 Ca -0.01 -0.47 -0.11 0.00 -0.85 0.00 0.00 60.65 59.21 2bs3 h LYS 227 Cb 1.19 0.10 -0.01 0.00 -0.60 0.00 0.00 32.23 32.92 2bs3 h LYS 227 CO 0.09 1.10 -0.23 0.82 -3.45 0.00 0.00 179.45 177.78 2bs3 h ILE 228 N 0.37 1.29 -0.93 2.00 2.04 -0.91 -1.60 117.51 119.77 2bs3 h ILE 228 Ca -0.05 -1.37 -0.01 0.00 1.00 0.00 0.00 64.86 64.44 2bs3 h ILE 228 Cb 1.37 1.45 -0.04 0.00 -0.74 0.00 0.00 36.82 38.86 2bs3 h ILE 228 CO 0.14 0.45 0.56 0.00 0.00 0.00 0.00 178.15 179.29 2bs3 h ALA 229 N 0.75 1.19 -0.27 1.87 0.00 -1.48 0.74 119.26 122.06 2bs3 h ALA 229 Ca 0.07 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 54.89 2bs3 h ALA 229 Cb 0.78 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 2bs3 h ALA 229 CO 0.06 0.65 0.12 -0.92 0.00 0.00 0.00 179.25 179.16 2bs3 h TYR 230 N 1.29 0.22 -0.60 0.00 3.20 -0.96 -0.69 116.97 119.42 2bs3 h TYR 230 Ca 0.33 0.01 -0.06 0.00 3.14 0.00 0.00 58.73 62.16 2bs3 h TYR 230 Cb -0.04 -0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.14 2bs3 h TYR 230 CO 0.01 0.11 0.14 1.25 -1.64 0.00 0.00 178.16 178.03 2bs3 h LEU 231 N 0.26 0.92 -0.73 2.82 5.85 -0.72 -2.48 115.31 121.21 2bs3 h LEU 231 Ca 0.12 -0.24 -0.02 0.00 0.84 0.00 0.00 57.88 58.58 2bs3 h LEU 231 Cb 0.06 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 40.81 2bs3 h LEU 231 CO -0.10 0.91 0.38 -0.09 -0.34 0.00 0.00 178.44 179.21 2bs3 h ARG 232 N 0.88 1.04 -0.76 1.25 2.43 -0.43 -0.23 114.38 118.56 2bs3 h ARG 232 Ca 0.19 -0.14 -0.03 0.00 -0.81 0.00 0.00 59.98 59.19 2bs3 h ARG 232 Cb 0.36 -0.20 -0.03 0.00 -0.42 0.00 0.00 29.97 29.68 2bs3 h ARG 232 CO 0.00 0.79 0.37 0.00 -1.51 0.00 0.00 179.97 179.63 2bs3 h ARG 233 N 1.02 1.09 -0.22 0.20 3.08 -0.97 -1.70 114.38 116.89 2bs3 h ARG 233 Ca 0.26 -0.16 -0.19 0.00 0.07 0.00 0.00 59.98 59.95 2bs3 h ARG 233 Cb 0.08 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 29.93 2bs3 h ARG 233 CO -0.04 0.85 -0.62 0.87 -1.07 0.00 0.00 179.97 179.96 2bs3 h LYS 234 N 1.07 0.76 -0.01 0.04 1.57 -1.07 -3.17 116.57 115.76 2bs3 h LYS 234 Ca 0.26 -0.53 -0.14 0.00 -1.87 0.00 0.00 60.65 58.37 2bs3 h LYS 234 Cb 0.11 0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.49 2bs3 h LYS 234 CO -0.03 1.15 -0.65 0.52 -0.57 0.00 0.00 179.45 179.87 2bs3 h MET 235 N 0.56 0.05 0.00 3.15 2.86 -0.94 -2.99 114.93 117.62 2bs3 h MET 235 Ca -0.01 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.59 2bs3 h MET 235 Cb 1.23 0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.89 2bs3 h MET 235 CO 0.13 0.68 0.00 -0.24 1.06 0.00 0.00 176.91 178.54 2bs3 h VAL 236 N 0.03 0.00 -0.27 -2.22 3.04 -1.34 -3.05 116.25 112.44 2bs3 h VAL 236 Ca -0.01 -0.41 0.00 0.00 -1.01 0.00 0.00 66.70 65.27 2bs3 h VAL 236 Cb 1.16 1.30 0.00 0.00 -2.01 0.00 0.00 31.29 31.74 2bs3 h VAL 236 CO 0.09 0.00 0.00 -1.54 -1.01 0.00 0.00 177.57 175.11 2bs3 n SER 237 N -2.35 3.22 -4.69 3.17 3.41 -1.13 -4.96 113.62 110.29 2bs3 n SER 237 Ca 0.04 -1.96 -0.42 0.00 -0.26 0.00 0.00 58.87 56.27 2bs3 n SER 237 Cb 0.35 -0.17 -0.03 0.00 -0.26 0.00 0.00 64.21 64.11 2bs3 n SER 237 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2bs3 s VAL 238 N -1.56 3.17 0.00 -3.33 1.01 -1.16 -5.10 120.40 113.43 2bs3 s VAL 238 Ca 0.33 0.64 0.00 0.00 0.00 0.00 0.00 61.98 62.95 2bs3 s VAL 238 Cb 0.21 -3.41 0.00 0.00 0.00 0.00 0.00 36.38 33.18 2bs3 s VAL 238 CO 0.29 0.00 0.00 0.59 0.00 0.00 0.00 175.10 175.99