#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1stx h LEU 3 N 0.00 -1.02 -0.78 1.04 5.85 -1.97 0.62 115.31 119.05 1stx h LEU 3 Ca 0.00 0.13 0.03 0.00 0.84 0.00 0.00 57.88 58.88 1stx h LEU 3 Cb 0.00 0.40 -0.05 0.00 0.37 0.00 0.00 40.66 41.38 1stx h LEU 3 CO 0.00 -0.41 0.50 -0.09 -0.34 0.00 0.00 178.44 178.10 1stx h ARG 4 N -0.53 0.94 0.00 1.25 2.43 -2.00 0.13 114.38 116.60 1stx h ARG 4 Ca 0.05 -0.06 -0.14 0.00 -0.81 0.00 0.00 59.98 59.02 1stx h ARG 4 Cb 0.59 -0.21 -0.02 0.00 -0.42 0.00 0.00 29.97 29.91 1stx h ARG 4 CO -0.25 0.62 -0.65 0.66 -1.51 0.00 0.00 179.97 178.84 1stx h SER 5 N 0.97 0.00 0.54 -3.80 4.64 -1.94 -2.55 113.55 111.41 1stx h SER 5 Ca 0.31 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 61.42 1stx h SER 5 Cb 0.01 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.09 1stx h SER 5 CO -0.11 0.65 -0.95 0.44 -0.87 0.00 0.00 176.83 175.99 1stx h ASP 6 N 0.00 0.35 0.30 4.97 3.32 -0.40 -2.82 116.42 122.14 1stx h ASP 6 Ca -0.01 -0.30 -0.01 0.00 0.02 0.00 0.00 57.03 56.73 1stx h ASP 6 Cb 1.16 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.61 1stx h ASP 6 CO 0.08 1.12 -0.14 0.25 -1.72 0.00 0.00 179.24 178.83 1stx h LEU 7 N 0.13 -0.34 -0.86 1.55 5.85 -0.68 0.35 115.31 121.32 1stx h LEU 7 Ca -0.06 -0.17 0.20 0.00 0.84 0.00 0.00 57.88 58.69 1stx h LEU 7 Cb 1.60 0.09 -0.12 0.00 0.37 0.00 0.00 40.66 42.60 1stx h LEU 7 CO 0.15 0.01 0.33 0.40 -0.34 0.00 0.00 178.44 179.00 1stx h ILE 8 N -0.72 0.49 -0.16 4.05 2.04 -1.54 -0.38 117.51 121.29 1stx h ILE 8 Ca -0.04 -0.13 -0.22 0.00 1.00 0.00 0.00 64.86 65.47 1stx h ILE 8 Cb 0.49 0.08 0.01 0.00 -0.74 0.00 0.00 36.82 36.66 1stx h ILE 8 CO 0.07 0.07 -0.75 0.78 0.00 0.00 0.00 178.15 178.31 1stx h ASN 9 N 0.37 0.94 -0.78 1.72 2.35 -1.38 -1.78 115.58 117.02 1stx h ASN 9 Ca 0.52 -0.62 -0.02 0.00 -0.55 0.00 0.00 56.30 55.63 1stx h ASN 9 Cb 0.96 -0.28 -0.04 0.00 0.05 0.00 0.00 38.32 39.01 1stx h ASN 9 CO -0.52 1.41 0.42 0.00 -1.65 0.00 0.00 177.43 177.09 1stx h ALA 10 N 0.56 1.25 -0.12 -0.83 0.00 0.12 -1.41 119.26 118.83 1stx h ALA 10 Ca -0.05 -0.13 -0.16 0.00 0.00 0.00 0.00 54.91 54.57 1stx h ALA 10 Cb 1.38 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 1stx h ALA 10 CO 0.16 0.60 -0.62 -0.07 0.00 0.00 0.00 179.25 179.31 1stx h LEU 11 N 1.11 0.48 -0.07 0.00 3.38 -1.06 -0.95 115.31 118.20 1stx h LEU 11 Ca 0.28 -0.28 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1stx h LEU 11 Cb 0.04 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.65 1stx h LEU 11 CO -0.04 0.98 -0.02 1.88 0.09 0.00 0.00 178.44 181.33 1stx h TYR 12 N 0.31 0.16 -0.65 1.13 0.05 -1.07 -2.70 116.97 114.20 1stx h TYR 12 Ca -0.01 -0.04 -0.08 0.00 0.05 0.00 0.00 58.73 58.66 1stx h TYR 12 Cb 1.16 -0.04 -0.03 0.00 1.01 0.00 0.00 36.73 38.84 1stx h TYR 12 CO 0.04 0.48 0.11 -0.44 -1.05 0.00 0.00 178.16 177.30 1stx h ASP 13 N -0.20 1.02 -0.56 3.88 3.32 -1.25 -1.20 116.42 121.44 1stx h ASP 13 Ca 0.02 -0.23 -0.08 0.00 0.02 0.00 0.00 57.03 56.75 1stx h ASP 13 Cb 0.43 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.69 1stx h ASP 13 CO 0.01 1.01 0.04 -0.08 -1.72 0.00 0.00 179.24 178.50 1stx h GLU 14 N 1.00 0.96 0.00 3.56 4.57 -1.23 -0.26 114.58 123.18 1stx h GLU 14 Ca 0.20 -0.28 -0.07 0.00 -1.18 0.00 0.00 59.36 58.02 1stx h GLU 14 Cb 0.42 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 28.90 1stx h GLU 14 CO 0.01 0.94 -0.34 -0.97 -1.18 0.00 0.00 179.01 177.47 1stx h ASN 15 N 0.84 0.00 -0.06 1.04 -1.24 -1.40 -1.06 115.58 113.71 1stx h ASN 15 Ca 0.16 0.00 -0.24 0.00 0.71 0.00 0.00 56.30 56.93 1stx h ASN 15 Cb 0.48 0.00 0.01 0.00 0.73 0.00 0.00 38.32 39.55 1stx h ASN 15 CO 0.02 0.34 -0.89 1.56 -1.29 0.00 0.00 177.43 177.18 1stx h GLN 16 N 0.00 0.73 0.00 6.67 7.50 -0.73 -3.36 115.11 125.93 1stx h GLN 16 Ca -0.00 -0.67 -0.18 0.00 0.50 0.00 0.00 58.65 58.29 1stx h GLN 16 Cb 0.85 0.16 -0.03 0.00 0.05 0.00 0.00 27.48 28.51 1stx h GLN 16 CO 0.04 1.27 -1.16 0.87 -1.50 0.00 0.00 178.83 178.35 1stx h LYS 17 N 0.47 0.00 -5.59 1.46 1.57 -0.81 -3.47 116.57 110.20 1stx h LYS 17 Ca -0.08 0.00 -0.54 0.00 -1.87 0.00 0.00 60.65 58.16 1stx h LYS 17 Cb 1.52 0.00 -0.29 0.00 0.08 0.00 0.00 32.23 33.54 1stx h LYS 17 CO 0.18 0.49 -0.83 0.71 -0.57 0.00 0.00 179.45 179.43 1stx s TYR 18 N -2.84 1.53 -0.24 -1.35 2.02 -0.42 -5.09 117.35 110.95 1stx s TYR 18 Ca -0.01 -0.30 0.01 0.00 -0.37 0.00 0.00 57.07 56.41 1stx s TYR 18 Cb 0.08 -0.99 0.04 0.00 -0.40 0.00 0.00 41.96 40.70 1stx s TYR 18 CO 0.80 -0.03 -0.12 -0.51 -1.57 0.00 0.00 175.55 174.11 1stx s ASP 19 N -0.37 4.05 0.26 2.29 1.01 -1.26 -4.67 116.67 117.99 1stx s ASP 19 Ca 0.06 -1.06 -0.30 0.00 0.71 0.00 0.00 52.55 51.96 1stx s ASP 19 Cb -0.07 -1.56 -0.10 0.00 1.01 0.00 0.00 42.92 42.20 1stx s ASP 19 CO -0.01 -0.12 1.42 -0.69 0.21 0.00 0.00 175.17 175.98 1stx s VAL 20 N 1.21 2.65 0.00 -1.27 1.01 -1.26 -4.91 120.40 117.83 1stx s VAL 20 Ca -0.03 0.56 0.00 0.00 0.00 0.00 0.00 61.98 62.52 1stx s VAL 20 Cb -0.17 -3.36 0.00 0.00 0.00 0.00 0.00 36.38 32.85 1stx s VAL 20 CO -0.07 0.10 0.65 0.00 0.00 0.00 0.00 175.10 175.77 1stx n GLY 22 N -0.15 0.22 3.69 0.00 0.00 -1.26 -4.29 105.19 103.39 1stx n GLY 22 Ca 0.00 -1.14 -0.34 0.00 0.00 0.00 0.00 46.02 44.54 1stx n GLY 22 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1stx s ILE 23 N -2.00 4.30 0.17 -0.61 -4.36 0.69 -4.91 121.20 114.49 1stx s ILE 23 Ca 0.00 -0.32 0.10 0.00 -0.26 0.00 0.00 60.65 60.17 1stx s ILE 23 Cb 0.00 -2.83 -0.04 0.00 1.25 0.00 0.00 42.46 40.83 1stx s ILE 23 CO 0.00 0.55 -0.19 -0.51 0.24 0.00 0.00 174.94 175.03 1stx s ILE 24 N -0.93 2.68 0.24 8.37 2.07 -1.26 -0.72 121.20 131.65 1stx s ILE 24 Ca 0.15 -1.80 0.08 0.00 -1.41 0.00 0.00 60.65 57.67 1stx s ILE 24 Cb -0.11 -2.28 -0.04 0.00 0.13 0.00 0.00 42.46 40.16 1stx s ILE 24 CO 0.04 -0.06 0.08 -0.94 -1.91 0.00 0.00 174.94 172.16 1stx s SER 25 N -2.56 5.01 0.66 4.50 1.04 -0.70 -4.99 113.70 116.65 1stx s SER 25 Ca 0.21 -0.43 0.34 0.00 0.48 0.00 0.00 55.95 56.54 1stx s SER 25 Cb -0.09 -1.12 1.84 0.00 0.10 0.00 0.00 66.02 66.75 1stx s SER 25 CO 0.11 0.00 2.06 0.00 0.98 0.00 0.00 173.24 176.39 1stx h ALA 26 N 1.87 1.33 -0.03 5.32 0.00 -2.01 0.45 119.26 126.20 1stx h ALA 26 Ca -0.46 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1stx h ALA 26 Cb 1.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1stx h ALA 26 CO 0.60 -0.26 0.00 0.39 0.00 0.00 0.00 179.25 179.98 1stx n GLU 27 N -3.07 1.77 -0.34 0.00 4.71 -1.26 -4.97 120.64 117.48 1stx n GLU 27 Ca -0.01 -1.12 0.00 0.00 -0.01 0.00 0.00 57.16 56.02 1stx n GLU 27 Cb 0.31 -1.47 0.00 0.00 -1.01 0.00 0.00 31.44 29.27 1stx n GLU 27 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1stx n GLY 28 N 1.20 0.71 3.73 0.62 0.00 0.16 -5.06 105.19 106.55 1stx n GLY 28 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 1stx n GLY 28 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1stx s LYS 29 N -0.66 4.55 -0.12 1.61 2.20 -1.26 -3.75 119.74 122.31 1stx s LYS 29 Ca 0.00 1.19 -0.00 0.00 -0.36 0.00 0.00 55.97 56.79 1stx s LYS 29 Cb 0.00 -3.39 -0.02 0.00 -1.51 0.00 0.00 37.83 32.91 1stx s LYS 29 CO 0.00 0.19 -0.11 0.42 -0.36 0.00 0.00 175.35 175.50 1stx s ILE 30 N 0.20 3.30 -0.13 5.43 1.01 0.68 -1.72 121.20 129.97 1stx s ILE 30 Ca 0.42 -0.59 -0.02 0.00 0.00 0.00 0.00 60.65 60.47 1stx s ILE 30 Cb -0.21 -2.38 -0.03 0.00 0.01 0.00 0.00 42.46 39.85 1stx s ILE 30 CO 0.25 0.53 -0.06 -0.31 0.00 0.00 0.00 174.94 175.35 1stx s TYR 31 N 0.08 2.97 0.90 3.97 1.51 0.11 -1.62 117.35 125.27 1stx s TYR 31 Ca -0.04 -0.26 -0.12 0.00 -1.01 0.00 0.00 57.07 55.64 1stx s TYR 31 Cb -0.14 -1.87 0.13 0.00 -0.11 0.00 0.00 41.96 39.96 1stx s TYR 31 CO 0.04 0.04 1.11 -2.14 -1.11 0.00 0.00 175.55 173.49 1stx s PRO 32 N 0.03 1.22 0.30 -1.71 0.02 -1.26 -0.22 135.00 133.38 1stx s PRO 32 Ca -0.01 0.56 -0.06 0.00 0.02 0.00 0.00 61.00 61.51 1stx s PRO 32 Cb -0.14 -1.83 -0.06 0.00 0.02 0.00 0.00 34.50 32.50 1stx s PRO 32 CO 0.03 -2.20 0.59 -0.51 -0.33 0.00 0.00 177.00 174.58 1stx s LEU 33 N -6.12 4.03 0.60 -5.54 1.43 -1.26 -4.71 118.68 107.11 1stx s LEU 33 Ca 0.63 0.81 -0.03 0.00 -1.03 0.00 0.00 54.13 54.51 1stx s LEU 33 Cb -0.16 -3.63 0.03 0.00 0.03 0.00 0.00 46.19 42.46 1stx s LEU 33 CO 0.55 -0.22 0.88 -0.83 0.23 0.00 0.00 176.35 176.96 1stx s GLY 34 N -3.08 1.70 0.05 -3.19 0.00 -1.26 -4.72 107.32 96.82 1stx s GLY 34 Ca 0.46 -1.02 0.23 0.00 0.00 0.00 0.00 44.72 44.38 1stx s GLY 34 CO 0.29 -0.71 1.02 -1.14 0.00 0.00 0.00 173.10 172.57 1stx n SER 35 N -2.57 0.62 -4.83 1.64 3.41 -1.26 -4.69 113.62 105.94 1stx n SER 35 Ca 0.07 -0.24 -0.30 0.00 -0.26 0.00 0.00 58.87 58.13 1stx n SER 35 Cb 0.59 0.80 0.07 0.00 -0.26 0.00 0.00 64.21 65.42 1stx n SER 35 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 175.04 176.39 1stx s ASP 36 N -3.87 4.88 0.46 4.04 -4.77 -1.26 -4.82 116.67 111.33 1stx s ASP 36 Ca 0.04 1.30 0.30 0.00 -3.30 0.00 0.00 52.55 50.89 1stx s ASP 36 Cb 0.15 -2.08 1.17 0.00 -1.09 0.00 0.00 42.92 41.06 1stx s ASP 36 CO 0.80 -1.72 1.88 0.74 0.70 0.00 0.00 175.17 177.57 1stx h THR 37 N -0.92 0.00 0.01 2.11 2.02 -1.97 -1.96 112.91 112.19 1stx h THR 37 Ca -0.46 -0.49 0.01 0.00 0.77 0.00 0.00 66.41 66.24 1stx h THR 37 Cb 1.26 1.42 -0.01 0.00 -1.74 0.00 0.00 68.15 69.07 1stx h THR 37 CO 0.60 0.00 -0.07 0.00 0.37 0.00 0.00 175.52 176.42 1stx h ALA 38 N 2.08 -0.08 0.28 6.16 0.00 -1.98 0.13 119.26 125.85 1stx h ALA 38 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1stx h ALA 38 Cb 0.53 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1stx h ALA 38 CO 0.00 -0.57 -0.14 0.28 0.00 0.00 0.00 179.25 178.83 1stx h VAL 39 N -0.13 0.72 0.00 0.00 2.07 -1.82 -3.25 116.25 113.85 1stx h VAL 39 Ca 0.03 -0.66 -0.09 0.00 0.82 0.00 0.00 66.70 66.80 1stx h VAL 39 Cb 0.16 1.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.97 1stx h VAL 39 CO -0.07 0.13 -0.43 -0.07 0.02 0.00 0.00 177.57 177.15 1stx h LEU 40 N -0.76 0.00 -0.21 2.57 3.38 -1.35 -2.01 115.31 116.94 1stx h LEU 40 Ca -0.04 0.00 0.04 0.00 0.09 0.00 0.00 57.88 57.97 1stx h LEU 40 Cb 0.50 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.21 1stx h LEU 40 CO 0.06 0.43 -0.02 -1.28 0.09 0.00 0.00 178.44 177.73 1stx h SER 41 N 0.00 -0.13 -0.15 -0.43 0.87 -0.83 -1.18 113.55 111.71 1stx h SER 41 Ca -0.00 0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.61 1stx h SER 41 Cb 0.79 0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 62.84 1stx h SER 41 CO 0.06 -0.04 0.10 0.74 -0.53 0.00 0.00 176.83 177.16 1stx h THR 42 N 0.04 1.04 -0.70 2.23 2.02 -1.51 -2.39 112.91 113.64 1stx h THR 42 Ca 0.10 -0.08 0.03 0.00 0.77 0.00 0.00 66.41 67.23 1stx h THR 42 Cb 0.14 0.82 -0.04 0.00 -1.74 0.00 0.00 68.15 67.33 1stx h THR 42 CO -0.19 0.04 0.44 0.40 0.37 0.00 0.00 175.52 176.58 1stx h ILE 43 N 0.20 1.11 -0.59 3.11 1.08 -1.05 -2.27 117.51 119.10 1stx h ILE 43 Ca 0.06 -0.30 -0.09 0.00 -0.39 0.00 0.00 64.86 64.13 1stx h ILE 43 Cb -0.02 0.16 -0.02 0.00 -3.07 0.00 0.00 36.82 33.87 1stx h ILE 43 CO -0.01 0.16 0.00 -0.26 -0.69 0.00 0.00 178.15 177.35 1stx h PHE 44 N 0.87 1.13 -0.36 1.37 0.04 -1.14 -1.05 116.94 117.80 1stx h PHE 44 Ca 0.28 -0.20 -0.00 0.00 2.80 0.00 0.00 57.97 60.85 1stx h PHE 44 Cb 0.00 -0.30 -0.02 0.00 2.20 0.00 0.00 35.95 37.84 1stx h PHE 44 CO -0.04 1.00 0.22 0.93 -0.60 0.00 0.00 178.31 179.82 1stx h GLU 45 N 0.93 0.49 -0.72 1.51 5.08 -1.21 -1.29 114.58 119.37 1stx h GLU 45 Ca 0.17 -0.04 -0.05 0.00 -1.00 0.00 0.00 59.36 58.43 1stx h GLU 45 Cb 0.55 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.67 1stx h GLU 45 CO 0.03 0.37 0.25 -0.07 -1.00 0.00 0.00 179.01 178.59 1stx h LEU 46 N 0.47 1.02 -1.21 1.33 3.38 -1.28 -1.76 115.31 117.26 1stx h LEU 46 Ca 0.13 -0.17 0.06 0.00 0.09 0.00 0.00 57.88 57.98 1stx h LEU 46 Cb 0.00 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.43 1stx h LEU 46 CO -0.02 0.93 0.56 0.15 0.09 0.00 0.00 178.44 180.15 1stx h PHE 47 N 1.06 0.97 0.00 1.13 3.57 -0.87 -2.74 116.94 120.07 1stx h PHE 47 Ca 0.24 0.02 -0.16 0.00 3.53 0.00 0.00 57.97 61.60 1stx h PHE 47 Cb 0.26 -0.32 -0.02 0.00 2.79 0.00 0.00 35.95 38.66 1stx h PHE 47 CO 0.02 0.52 -0.77 0.77 -2.23 0.00 0.00 178.31 176.63 1stx h SER 48 N 0.97 0.00 -0.21 0.41 0.02 -0.40 -3.38 113.55 110.96 1stx h SER 48 Ca 0.36 0.00 0.06 0.00 -0.84 0.00 0.00 61.79 61.37 1stx h SER 48 Cb 0.18 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 62.65 1stx h SER 48 CO -0.13 0.77 -0.27 0.03 -1.14 0.00 0.00 176.83 176.09 1stx h ARG 49 N 0.00 -0.28 -0.90 3.45 3.08 -1.07 -1.79 114.38 116.87 1stx h ARG 49 Ca -0.01 0.02 0.02 0.00 0.07 0.00 0.00 59.98 60.08 1stx h ARG 49 Cb 1.38 0.06 -0.05 0.00 0.08 0.00 0.00 29.97 31.44 1stx h ARG 49 CO 0.10 -0.19 0.59 -1.35 -1.07 0.00 0.00 179.97 178.05 1stx h PRO 50 N -0.30 1.15 0.04 0.04 0.11 -1.75 -1.91 132.00 129.38 1stx h PRO 50 Ca 0.12 -0.07 -0.00 0.00 0.11 0.00 0.00 66.00 66.16 1stx h PRO 50 Cb 0.49 -0.26 0.00 0.00 0.11 0.00 0.00 31.00 31.34 1stx h PRO 50 CO -0.38 0.76 -0.02 0.82 -0.21 0.00 0.00 178.00 178.97 1stx h ILE 51 N 1.18 1.05 -0.43 4.15 2.04 -1.68 -1.43 117.51 122.39 1stx h ILE 51 Ca 0.34 -0.27 0.02 0.00 1.00 0.00 0.00 64.86 65.96 1stx h ILE 51 Cb -0.08 1.23 -0.03 0.00 -0.74 0.00 0.00 36.82 37.20 1stx h ILE 51 CO -0.09 0.07 0.25 0.40 0.00 0.00 0.00 178.15 178.77 1stx h ILE 52 N -0.16 1.03 -0.50 -0.67 2.04 -1.21 -2.26 117.51 115.77 1stx h ILE 52 Ca -0.00 -0.17 -0.02 0.00 1.00 0.00 0.00 64.86 65.66 1stx h ILE 52 Cb 0.15 0.49 -0.02 0.00 -0.74 0.00 0.00 36.82 36.70 1stx h ILE 52 CO 0.01 0.09 0.23 -1.13 0.00 0.00 0.00 178.15 177.35 1stx h ASN 53 N 0.50 0.67 0.17 1.72 -1.24 -1.20 -1.21 115.58 114.97 1stx h ASN 53 Ca 0.17 -0.14 0.01 0.00 0.71 0.00 0.00 56.30 57.05 1stx h ASN 53 Cb 0.02 -0.17 -0.02 0.00 0.73 0.00 0.00 38.32 38.88 1stx h ASN 53 CO -0.09 0.63 -0.23 0.50 -1.29 0.00 0.00 177.43 176.95 1stx h LYS 54 N 0.67 -0.44 -0.34 6.67 3.64 -1.04 -1.87 116.57 123.86 1stx h LYS 54 Ca 0.17 0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.57 1stx h LYS 54 Cb 0.15 0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.05 1stx h LYS 54 CO -0.02 -0.29 0.17 0.82 -2.27 0.00 0.00 179.45 177.86 1stx h ILE 55 N -0.45 1.15 -0.49 2.00 1.08 -1.32 -2.02 117.51 117.45 1stx h ILE 55 Ca 0.01 -0.41 -0.00 0.00 -0.39 0.00 0.00 64.86 64.08 1stx h ILE 55 Cb 0.45 0.80 -0.02 0.00 -3.07 0.00 0.00 36.82 34.98 1stx h ILE 55 CO -0.09 0.15 0.30 0.00 -0.69 0.00 0.00 178.15 177.82 1stx h ALA 56 N 1.03 1.61 -0.10 1.87 0.00 -1.14 -1.58 119.26 120.95 1stx h ALA 56 Ca 0.12 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 1stx h ALA 56 Cb 0.09 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1stx h ALA 56 CO -0.02 0.35 -0.24 0.93 0.00 0.00 0.00 179.25 180.27 1stx h GLU 57 N 0.67 0.35 -0.79 0.00 5.08 -1.20 1.10 114.58 119.79 1stx h GLU 57 Ca 0.18 -0.23 0.19 0.00 -1.00 0.00 0.00 59.36 58.49 1stx h GLU 57 Cb -0.04 0.03 -0.13 0.00 0.50 0.00 0.00 28.75 29.12 1stx h GLU 57 CO -0.03 0.84 0.16 -0.22 -1.00 0.00 0.00 179.01 178.75 1stx h LYS 58 N -0.10 0.20 -0.79 2.33 3.64 -0.77 0.38 116.57 121.45 1stx h LYS 58 Ca -0.00 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.35 1stx h LYS 58 Cb 0.84 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.61 1stx h LYS 58 CO 0.05 0.13 0.02 0.72 -2.27 0.00 0.00 179.45 178.10 1stx n HIS 59 N -5.23 1.11 -2.94 1.91 8.25 -0.65 -4.90 115.22 112.77 1stx n HIS 59 Ca 0.16 -0.42 -0.19 0.00 -0.26 0.00 0.00 57.72 57.02 1stx n HIS 59 Cb 0.54 -0.33 0.03 0.00 1.12 0.00 0.00 29.99 31.35 1stx n HIS 59 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1stx n GLY 60 N 0.29 -0.33 3.49 -1.41 0.00 0.13 -5.02 105.19 102.34 1stx n GLY 60 Ca 0.15 -0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.83 1stx n GLY 60 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1stx s TYR 61 N -3.09 2.85 0.25 1.61 2.02 0.38 -4.60 117.35 116.77 1stx s TYR 61 Ca 0.27 -0.24 -0.30 0.00 -0.37 0.00 0.00 57.07 56.43 1stx s TYR 61 Cb -0.12 -1.76 -0.09 0.00 -0.40 0.00 0.00 41.96 39.59 1stx s TYR 61 CO 0.34 0.10 1.02 0.42 -1.57 0.00 0.00 175.55 175.86 1stx s ILE 62 N -0.32 3.78 -0.06 2.71 -1.09 0.32 -3.82 121.20 122.73 1stx s ILE 62 Ca 0.04 1.78 0.04 0.00 -2.23 0.00 0.00 60.65 60.28 1stx s ILE 62 Cb -0.13 -4.13 -0.02 0.00 -1.58 0.00 0.00 42.46 36.60 1stx s ILE 62 CO 0.02 0.42 -0.17 0.68 -1.23 0.00 0.00 174.94 174.66 1stx s VAL 63 N -1.11 2.78 -0.07 2.92 -7.23 -1.26 -1.84 120.40 114.59 1stx s VAL 63 Ca 0.43 -0.82 -0.03 0.00 -1.81 0.00 0.00 61.98 59.76 1stx s VAL 63 Cb -0.29 -2.08 0.04 0.00 0.56 0.00 0.00 36.38 34.61 1stx s VAL 63 CO 0.36 0.58 0.14 -0.70 -0.31 0.00 0.00 175.10 175.17 1stx s GLU 64 N -0.46 0.04 0.34 4.82 2.12 -0.36 -4.98 118.70 120.22 1stx s GLU 64 Ca 0.05 0.44 -0.04 0.00 0.36 0.00 0.00 54.97 55.79 1stx s GLU 64 Cb -0.12 -0.25 -0.05 0.00 0.26 0.00 0.00 34.13 33.97 1stx s GLU 64 CO 0.02 -0.24 0.61 -1.21 -0.54 0.00 0.00 175.26 173.89 1stx s GLU 65 N 1.74 3.60 0.46 4.30 2.02 -1.26 -1.43 118.70 128.12 1stx s GLU 65 Ca -0.03 -0.00 -0.23 0.00 0.02 0.00 0.00 54.97 54.73 1stx s GLU 65 Cb -0.12 -2.58 -0.09 0.00 0.10 0.00 0.00 34.13 31.44 1stx s GLU 65 CO -0.05 0.11 1.11 -2.30 0.02 0.00 0.00 175.26 174.14 1stx n PRO 66 N -1.38 1.47 0.08 0.39 -0.02 -1.26 -4.85 135.00 129.43 1stx n PRO 66 Ca -0.02 0.53 0.03 0.00 -2.02 0.00 0.00 63.50 62.03 1stx n PRO 66 Cb 0.55 -2.21 -0.03 0.00 -0.02 0.00 0.00 33.50 31.79 1stx n PRO 66 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 1stx h LYS 67 N 1.52 0.00 -6.25 -0.52 6.56 -1.95 -3.47 116.57 112.46 1stx h LYS 67 Ca -0.47 0.00 -0.57 0.00 -1.06 0.00 0.00 60.65 58.56 1stx h LYS 67 Cb 1.33 0.00 -0.09 0.00 -0.57 0.00 0.00 32.23 32.89 1stx h LYS 67 CO 0.57 0.27 -0.63 -0.65 -2.06 0.00 0.00 179.45 176.94 1stx s GLN 68 N -3.03 2.41 0.53 3.15 -0.21 -1.26 -5.11 119.66 116.14 1stx s GLN 68 Ca -0.01 -1.26 -0.20 0.00 0.02 0.00 0.00 55.36 53.91 1stx s GLN 68 Cb 0.08 -2.28 -0.06 0.00 1.00 0.00 0.00 33.01 31.75 1stx s GLN 68 CO 0.79 0.40 1.14 -0.65 -2.12 0.00 0.00 175.29 174.84 1stx s GLN 69 N -3.45 3.42 -0.96 2.91 -1.52 -1.26 -3.98 119.66 114.82 1stx s GLN 69 Ca 0.30 1.64 -0.11 0.00 -1.95 0.00 0.00 55.36 55.24 1stx s GLN 69 Cb -0.08 -2.08 0.02 0.00 -0.22 0.00 0.00 33.01 30.65 1stx s GLN 69 CO 0.20 -0.80 0.21 0.27 -0.25 0.00 0.00 175.29 174.93 1stx n ASN 70 N -1.16 -0.92 -4.08 5.90 0.23 -1.26 -4.95 115.26 109.03 1stx n ASN 70 Ca 0.11 -0.89 -0.29 0.00 -0.53 0.00 0.00 54.58 52.98 1stx n ASN 70 Cb 0.50 -1.09 -0.17 0.00 -2.08 0.00 0.00 39.78 36.95 1stx n ASN 70 CO 0.00 0.00 0.00 -1.00 -0.93 0.00 0.00 177.26 175.33 1stx s HIS 71 N -3.97 2.03 0.49 -2.53 3.76 -1.26 -4.84 115.29 108.98 1stx s HIS 71 Ca 0.16 -0.93 -0.17 0.00 -0.15 0.00 0.00 55.06 53.97 1stx s HIS 71 Cb -0.09 -1.44 -0.08 0.00 1.11 0.00 0.00 32.58 32.08 1stx s HIS 71 CO 0.68 -0.46 0.97 -0.47 -0.85 0.00 0.00 174.74 174.61 1stx s TYR 72 N 0.88 3.43 0.43 1.40 6.14 0.12 -4.73 117.35 125.02 1stx s TYR 72 Ca -0.09 1.47 0.06 0.00 0.64 0.00 0.00 57.07 59.15 1stx s TYR 72 Cb -0.15 -2.78 0.01 0.00 0.42 0.00 0.00 41.96 39.46 1stx s TYR 72 CO 0.00 -0.31 0.59 -1.25 0.64 0.00 0.00 175.55 175.22 1stx s PRO 73 N -3.91 2.84 0.51 4.97 0.04 -1.26 -0.49 135.00 137.70 1stx s PRO 73 Ca 0.59 -1.10 0.19 0.00 0.04 0.00 0.00 61.00 60.72 1stx s PRO 73 Cb -0.10 -2.72 1.30 0.00 0.04 0.00 0.00 34.50 33.02 1stx s PRO 73 CO 0.28 -0.28 2.11 -0.44 0.04 0.00 0.00 177.00 178.71 1stx h ASP 74 N 0.58 0.00 -3.28 6.66 3.32 -1.80 -3.38 116.42 118.52 1stx h ASP 74 Ca -0.42 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 56.47 1stx h ASP 74 Cb 1.28 0.00 -0.28 0.00 0.22 0.00 0.00 39.33 40.54 1stx h ASP 74 CO 0.48 0.07 -0.41 -0.36 -1.72 0.00 0.00 179.24 177.30 1stx s PHE 75 N -4.78 -0.45 -0.22 4.55 0.08 -0.58 -4.34 117.98 112.24 1stx s PHE 75 Ca -0.04 1.01 -0.02 0.00 0.12 0.00 0.00 56.93 58.00 1stx s PHE 75 Cb 0.16 0.14 0.01 0.00 -0.57 0.00 0.00 43.02 42.76 1stx s PHE 75 CO 0.65 -0.28 -0.09 0.99 -0.10 0.00 0.00 175.22 176.38 1stx s THR 76 N 1.35 2.81 0.13 0.64 2.01 -0.52 -0.22 115.64 121.85 1stx s THR 76 Ca -0.09 -0.84 0.06 0.00 0.31 0.00 0.00 61.69 61.14 1stx s THR 76 Cb -0.10 -2.32 -0.04 0.00 0.01 0.00 0.00 72.50 70.05 1stx s THR 76 CO -0.10 0.36 -0.02 -0.76 -0.69 0.00 0.00 174.62 173.41 1stx s LEU 77 N 1.36 3.31 0.00 4.42 1.43 -0.07 -1.22 118.68 127.91 1stx s LEU 77 Ca 0.03 -0.32 0.00 0.00 -1.03 0.00 0.00 54.13 52.81 1stx s LEU 77 Cb -0.15 -2.02 0.00 0.00 0.03 0.00 0.00 46.19 44.05 1stx s LEU 77 CO -0.06 0.13 0.00 0.00 0.23 0.00 0.00 176.35 176.65 1stx n TYR 78 N 0.25 0.00 -4.09 0.29 4.11 -0.76 -1.19 117.16 115.77 1stx n TYR 78 Ca -0.11 0.00 -0.33 0.00 -0.00 0.00 0.00 57.90 57.46 1stx n TYR 78 Cb 0.54 0.00 -0.07 0.00 -0.00 0.00 0.00 39.34 39.81 1stx n TYR 78 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.86 177.01 1stx s LYS 79 N -2.00 3.11 0.45 -3.48 1.02 -1.26 0.12 119.74 117.69 1stx s LYS 79 Ca 0.00 -0.45 0.21 0.00 0.02 0.00 0.00 55.97 55.76 1stx s LYS 79 Cb 0.00 -2.89 1.05 0.00 -0.52 0.00 0.00 37.83 35.46 1stx s LYS 79 CO 0.00 0.66 1.91 -1.35 -0.92 0.00 0.00 175.35 175.65 1stx h PRO 80 N 4.18 0.00 -0.02 -1.68 0.11 -1.99 -2.03 132.00 130.57 1stx h PRO 80 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1stx h PRO 80 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1stx h PRO 80 CO 0.62 0.24 0.00 -1.13 -0.21 0.00 0.00 178.00 177.52 1stx n SER 81 N -3.72 0.15 -2.68 -2.05 3.41 -1.26 -3.75 113.62 103.72 1stx n SER 81 Ca -0.01 -1.75 -0.08 0.00 -0.26 0.00 0.00 58.87 56.77 1stx n SER 81 Cb 0.35 -0.02 0.05 0.00 -0.26 0.00 0.00 64.21 64.34 1stx n SER 81 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1stx n GLU 82 N -0.54 1.18 -0.01 4.33 1.02 -0.76 -5.01 120.64 120.85 1stx n GLU 82 Ca 0.07 -2.91 0.19 0.00 -0.02 0.00 0.00 57.16 54.49 1stx n GLU 82 Cb 0.05 -0.96 0.39 0.00 -0.02 0.00 0.00 31.44 30.90 1stx n GLU 82 CO 0.00 0.00 0.00 -1.35 1.18 0.00 0.00 177.13 176.96 1stx h PRO 83 N 2.73 0.00 -0.16 3.49 0.11 -1.65 -0.68 132.00 135.85 1stx h PRO 83 Ca -0.15 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.96 1stx h PRO 83 Cb 1.21 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 1stx h PRO 83 CO 0.35 0.00 -0.01 0.09 -0.21 0.00 0.00 178.00 178.22 1stx n ASN 84 N -3.09 3.23 -2.52 -2.05 5.03 -1.26 -4.55 115.26 110.05 1stx n ASN 84 Ca 0.14 -3.08 -0.21 0.00 0.87 0.00 0.00 54.58 52.30 1stx n ASN 84 Cb 1.22 -0.50 0.01 0.00 -1.02 0.00 0.00 39.78 39.49 1stx n ASN 84 CO 0.00 0.00 0.00 1.17 -1.83 0.00 0.00 177.26 176.60 1stx n LYS 85 N -0.90 2.72 -2.31 3.52 4.81 -0.26 -4.50 118.16 121.24 1stx n LYS 85 Ca 0.20 -4.10 -0.31 0.00 -0.87 0.00 0.00 58.31 53.23 1stx n LYS 85 Cb 0.80 -1.94 -0.02 0.00 0.02 0.00 0.00 35.03 33.89 1stx n LYS 85 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 1stx s LYS 86 N -3.42 3.79 -0.13 1.64 1.02 -0.58 -4.70 119.74 117.36 1stx s LYS 86 Ca 0.41 0.78 0.02 0.00 0.02 0.00 0.00 55.97 57.20 1stx s LYS 86 Cb 0.42 -2.17 0.00 0.00 -0.52 0.00 0.00 37.83 35.56 1stx s LYS 86 CO -0.11 -0.33 -0.20 0.42 -0.92 0.00 0.00 175.35 174.21 1stx s ILE 87 N -2.77 2.31 -0.21 2.17 1.01 -0.33 -0.16 121.20 123.22 1stx s ILE 87 Ca 0.56 -0.91 -0.09 0.00 0.00 0.00 0.00 60.65 60.21 1stx s ILE 87 Cb -0.10 -1.93 -0.05 0.00 0.01 0.00 0.00 42.46 40.39 1stx s ILE 87 CO 0.39 0.54 0.12 0.00 0.00 0.00 0.00 174.94 175.99 1stx s ALA 88 N 0.58 3.54 -0.12 9.38 0.00 -0.06 -0.89 121.76 134.19 1stx s ALA 88 Ca -0.12 -0.80 0.02 0.00 0.00 0.00 0.00 51.96 51.06 1stx s ALA 88 Cb -0.16 -2.14 0.01 0.00 0.00 0.00 0.00 23.12 20.83 1stx s ALA 88 CO 0.04 0.00 -0.17 0.42 0.00 0.00 0.00 175.76 176.05 1stx s ILE 89 N 0.68 1.63 -0.11 0.00 1.01 0.70 0.80 121.20 125.91 1stx s ILE 89 Ca 0.06 -0.72 0.03 0.00 0.00 0.00 0.00 60.65 60.02 1stx s ILE 89 Cb -0.13 -1.48 0.01 0.00 0.01 0.00 0.00 42.46 40.87 1stx s ILE 89 CO 0.01 0.47 -0.19 -0.62 0.00 0.00 0.00 174.94 174.61 1stx s ASP 90 N 0.99 2.74 0.09 3.58 2.15 0.17 -1.53 116.67 124.87 1stx s ASP 90 Ca -0.06 -0.50 -0.23 0.00 0.43 0.00 0.00 52.55 52.19 1stx s ASP 90 Cb -0.15 -1.25 -0.07 0.00 -0.30 0.00 0.00 42.92 41.15 1stx s ASP 90 CO -0.02 0.08 0.71 -0.63 -0.17 0.00 0.00 175.17 175.14 1stx s ILE 91 N 0.69 4.61 -0.00 4.11 -1.09 -1.26 -1.21 121.20 127.05 1stx s ILE 91 Ca -0.12 1.53 0.00 0.00 -2.23 0.00 0.00 60.65 59.83 1stx s ILE 91 Cb -0.16 -4.06 -0.00 0.00 -1.58 0.00 0.00 42.46 36.66 1stx s ILE 91 CO 0.02 0.47 -0.01 -0.54 -1.23 0.00 0.00 174.94 173.66 1stx s LYS 92 N -0.71 0.08 0.08 2.79 -0.14 -0.51 -4.93 119.74 116.40 1stx s LYS 92 Ca 0.35 -0.04 0.06 0.00 -1.36 0.00 0.00 55.97 54.98 1stx s LYS 92 Cb -0.21 -0.08 -0.03 0.00 -1.68 0.00 0.00 37.83 35.83 1stx s LYS 92 CO 0.23 0.02 -0.17 0.99 -0.76 0.00 0.00 175.35 175.66 1stx s THR 93 N -0.02 1.36 0.19 2.17 2.01 -1.26 -0.47 115.64 119.62 1stx s THR 93 Ca 0.00 -1.41 -0.14 0.00 0.31 0.00 0.00 61.69 60.46 1stx s THR 93 Cb -0.00 -1.27 0.01 0.00 0.01 0.00 0.00 72.50 71.24 1stx s THR 93 CO -0.00 -0.16 0.44 0.28 -0.69 0.00 0.00 174.62 174.49 1stx s THR 94 N -1.24 0.04 0.31 -0.82 -1.32 -0.31 -4.84 115.64 107.45 1stx s THR 94 Ca 0.01 -1.07 0.06 0.00 -1.21 0.00 0.00 61.69 59.48 1stx s THR 94 Cb -0.10 -1.75 -0.06 0.00 -1.51 0.00 0.00 72.50 69.08 1stx s THR 94 CO 0.03 -0.16 -0.01 -0.72 -2.21 0.00 0.00 174.62 171.54 1stx s TYR 95 N -3.92 2.03 0.09 9.09 1.13 -1.26 -2.52 117.35 121.98 1stx s TYR 95 Ca 0.13 -0.77 0.05 0.00 -1.41 0.00 0.00 57.07 55.07 1stx s TYR 95 Cb 0.00 -1.25 -0.03 0.00 -1.10 0.00 0.00 41.96 39.59 1stx s TYR 95 CO -0.00 0.22 -0.13 0.95 -2.51 0.00 0.00 175.55 174.08 1stx s THR 96 N -3.06 1.08 -0.07 -3.49 -4.23 -0.55 -4.91 115.64 100.41 1stx s THR 96 Ca 0.32 -1.46 0.14 0.00 -1.18 0.00 0.00 61.69 59.51 1stx s THR 96 Cb 0.06 -1.20 -0.10 0.00 1.34 0.00 0.00 72.50 72.59 1stx s THR 96 CO 0.14 -0.35 1.08 0.78 -0.54 0.00 0.00 174.62 175.72 1stx h ASN 97 N 3.97 0.00 -3.14 3.99 2.35 -1.94 -2.70 115.58 118.11 1stx h ASN 97 Ca -0.39 0.00 -0.47 0.00 -0.55 0.00 0.00 56.30 54.88 1stx h ASN 97 Cb 1.19 0.00 -0.15 0.00 0.05 0.00 0.00 38.32 39.42 1stx h ASN 97 CO 0.45 0.70 -0.74 -0.54 -1.65 0.00 0.00 177.43 175.65 1stx s LYS 98 N -2.84 1.36 0.69 0.81 -0.14 -1.26 -4.73 119.74 113.63 1stx s LYS 98 Ca -0.00 -1.59 -0.13 0.00 -1.36 0.00 0.00 55.97 52.89 1stx s LYS 98 Cb 0.08 -1.21 0.02 0.00 -1.68 0.00 0.00 37.83 35.04 1stx s LYS 98 CO 0.80 0.21 1.09 -1.21 -0.76 0.00 0.00 175.35 175.47 1stx s GLU 99 N -3.52 2.71 0.00 1.68 2.02 -1.26 -3.92 118.70 116.40 1stx s GLU 99 Ca 0.22 1.22 0.00 0.00 0.02 0.00 0.00 54.97 56.43 1stx s GLU 99 Cb -0.02 -1.95 0.00 0.00 0.10 0.00 0.00 34.13 32.26 1stx s GLU 99 CO 0.08 -1.30 0.00 0.27 0.02 0.00 0.00 175.26 174.32 1stx n ASN 100 N -2.85 -4.31 -4.17 -0.19 0.23 -1.26 -5.02 115.26 97.68 1stx n ASN 100 Ca 0.09 0.00 -0.28 0.00 -0.53 0.00 0.00 54.58 53.87 1stx n ASN 100 Cb 0.53 -2.76 0.18 0.00 -2.08 0.00 0.00 39.78 35.64 1stx n ASN 100 CO 0.00 0.00 0.00 -1.84 -0.93 0.00 0.00 177.26 174.49 1stx n GLU 101 N 0.62 -0.89 -2.17 -3.83 0.28 -1.25 -4.85 120.64 108.54 1stx n GLU 101 Ca 0.00 -2.34 -0.41 0.00 -0.16 0.00 0.00 57.16 54.25 1stx n GLU 101 Cb 0.36 -1.13 -0.03 0.00 1.43 0.00 0.00 31.44 32.07 1stx n GLU 101 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 1stx s LYS 102 N -5.67 4.39 0.19 3.44 1.02 -1.26 -4.62 119.74 117.21 1stx s LYS 102 Ca 0.73 2.13 0.09 0.00 0.02 0.00 0.00 55.97 58.94 1stx s LYS 102 Cb -0.03 -3.13 -0.04 0.00 -0.52 0.00 0.00 37.83 34.11 1stx s LYS 102 CO 0.51 -0.19 -0.18 0.96 -0.92 0.00 0.00 175.35 175.52 1stx s ILE 103 N -0.61 1.88 -0.04 2.17 -4.36 -0.68 -4.86 121.20 114.71 1stx s ILE 103 Ca 0.52 -2.03 -0.03 0.00 -0.26 0.00 0.00 60.65 58.85 1stx s ILE 103 Cb -0.38 -1.94 0.02 0.00 1.25 0.00 0.00 42.46 41.40 1stx s ILE 103 CO 0.46 -0.38 0.10 -0.75 0.24 0.00 0.00 174.94 174.61 1stx s LYS 104 N -3.04 0.10 0.20 0.37 2.20 -1.26 -2.09 119.74 116.23 1stx s LYS 104 Ca 0.19 0.18 0.08 0.00 -0.36 0.00 0.00 55.97 56.06 1stx s LYS 104 Cb -0.05 -0.01 -0.04 0.00 -1.51 0.00 0.00 37.83 36.22 1stx s LYS 104 CO 0.08 -0.05 0.04 -0.06 -0.36 0.00 0.00 175.35 174.99 1stx s PHE 105 N 0.33 2.88 -0.24 4.03 0.40 -1.26 -4.88 117.98 119.25 1stx s PHE 105 Ca -0.02 -0.14 -0.12 0.00 -0.60 0.00 0.00 56.93 56.05 1stx s PHE 105 Cb -0.04 -1.35 -0.05 0.00 0.51 0.00 0.00 43.02 42.10 1stx s PHE 105 CO -0.01 0.54 0.23 0.95 0.70 0.00 0.00 175.22 177.63 1stx s THR 106 N -1.92 5.31 -0.29 0.64 -4.23 -1.26 -1.27 115.64 112.62 1stx s THR 106 Ca 0.29 0.33 0.12 0.00 -1.18 0.00 0.00 61.69 61.25 1stx s THR 106 Cb -0.08 -3.57 0.73 0.00 1.34 0.00 0.00 72.50 70.92 1stx s THR 106 CO 0.20 0.30 1.73 0.18 -0.54 0.00 0.00 174.62 176.50 1stx n LEU 107 N 4.46 5.66 0.00 4.79 4.77 -0.11 -4.95 117.00 131.62 1stx n LEU 107 Ca -0.13 -3.16 0.00 0.00 -0.03 0.00 0.00 56.01 52.69 1stx n LEU 107 Cb 0.52 -0.70 0.00 0.00 -2.33 0.00 0.00 43.42 40.90 1stx n LEU 107 CO 0.36 0.78 0.00 0.61 -1.33 0.00 0.00 177.39 177.81 1stx n GLY 108 N -0.07 1.20 3.77 -0.72 0.00 -1.26 -4.76 105.19 103.34 1stx n GLY 108 Ca 0.35 -2.04 -0.33 0.00 0.00 0.00 0.00 46.02 44.00 1stx n GLY 108 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1stx s GLY 109 N 0.00 2.12 0.00 -0.02 0.00 -1.26 -1.57 107.32 106.59 1stx s GLY 109 Ca 0.00 0.53 0.10 0.00 0.00 0.00 0.00 44.72 45.35 1stx s GLY 109 CO 0.00 0.88 1.17 1.58 0.00 0.00 0.00 173.10 176.73 1stx n TYR 110 N -2.48 0.36 -1.33 1.90 0.18 -0.69 -4.49 117.16 110.62 1stx n TYR 110 Ca 0.10 -0.42 0.04 0.00 1.88 0.00 0.00 57.90 59.51 1stx n TYR 110 Cb 0.52 -0.02 0.06 0.00 -0.38 0.00 0.00 39.34 39.52 1stx n TYR 110 CO 0.00 0.00 0.00 0.25 -2.08 0.00 0.00 176.86 175.03 1stx n THR 111 N 0.47 0.91 0.00 -3.48 -2.24 -1.26 -4.68 114.28 104.00 1stx n THR 111 Ca 0.10 -1.07 0.00 0.00 -2.27 0.00 0.00 64.05 60.81 1stx n THR 111 Cb 0.39 0.22 0.00 0.00 -2.10 0.00 0.00 70.33 68.84 1stx n THR 111 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1stx n SER 112 N -0.67 0.00 0.23 3.42 3.41 -1.26 -4.75 113.62 114.00 1stx n SER 112 Ca 0.07 0.00 0.11 0.00 -0.26 0.00 0.00 58.87 58.79 1stx n SER 112 Cb 0.61 0.00 0.71 0.00 -0.26 0.00 0.00 64.21 65.27 1stx n SER 112 CO 0.00 0.00 0.00 2.19 -0.16 0.00 0.00 175.04 177.07 1stx h PHE 113 N 0.00 0.00 0.00 7.33 -5.15 -1.61 -0.74 116.94 116.77 1stx h PHE 113 Ca 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.77 1stx h PHE 113 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.17 1stx h PHE 113 CO 0.00 0.00 0.00 0.44 -2.00 0.00 0.00 178.31 176.75 1stx n ILE 114 N -4.35 0.58 0.22 0.88 -5.35 -1.26 -2.36 119.36 107.70 1stx n ILE 114 Ca -0.01 0.14 0.02 0.00 -0.27 0.00 0.00 62.75 62.64 1stx n ILE 114 Cb 0.17 -0.81 -0.01 0.00 -1.74 0.00 0.00 39.64 37.25 1stx n ILE 114 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1stx n ARG 115 N -1.44 4.07 -3.56 6.28 1.74 -0.39 -4.89 116.66 118.47 1stx n ARG 115 Ca 0.06 -0.20 -0.09 0.00 -0.77 0.00 0.00 57.85 56.85 1stx n ARG 115 Cb 0.21 -0.81 -0.09 0.00 -1.02 0.00 0.00 32.46 30.75 1stx n ARG 115 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1stx s ASN 116 N -1.19 -0.02 0.47 0.55 3.84 -0.57 -5.03 114.94 112.99 1stx s ASN 116 Ca 0.03 0.70 0.30 0.00 0.21 0.00 0.00 52.86 54.10 1stx s ASN 116 Cb 0.04 1.20 1.39 0.00 -0.55 0.00 0.00 41.25 43.32 1stx s ASN 116 CO 0.16 -0.25 1.73 -1.13 -2.79 0.00 0.00 177.10 174.81 1stx h ASN 117 N 8.19 0.21 0.00 -4.21 -1.24 -1.86 -2.90 115.58 113.77 1stx h ASN 117 Ca -0.17 0.06 0.00 0.00 0.71 0.00 0.00 56.30 56.91 1stx h ASN 117 Cb 1.12 0.04 0.00 0.00 0.73 0.00 0.00 38.32 40.21 1stx h ASN 117 CO 0.17 -0.02 -0.05 0.35 -1.29 0.00 0.00 177.43 176.60 1stx n THR 118 N -4.44 1.34 -2.70 -3.57 -2.24 -1.26 -0.18 114.28 101.22 1stx n THR 118 Ca 0.30 -1.55 -0.43 0.00 -2.27 0.00 0.00 64.05 60.11 1stx n THR 118 Cb 1.24 0.12 -0.03 0.00 -2.10 0.00 0.00 70.33 69.57 1stx n THR 118 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1stx s LYS 119 N -1.88 4.08 -1.63 -0.78 2.20 -1.09 -4.13 119.74 116.50 1stx s LYS 119 Ca 0.18 1.03 0.00 0.00 -0.36 0.00 0.00 55.97 56.81 1stx s LYS 119 Cb 0.15 -3.72 0.00 0.00 -1.51 0.00 0.00 37.83 32.75 1stx s LYS 119 CO 0.02 -0.82 0.00 0.09 -0.36 0.00 0.00 175.35 174.28 1stx n ASN 120 N 6.66 -5.35 -4.10 1.43 4.13 -1.26 -2.66 115.26 114.11 1stx n ASN 120 Ca 0.10 0.08 -0.18 0.00 1.68 0.00 0.00 54.58 56.27 1stx n ASN 120 Cb 0.47 -4.50 -0.13 0.00 -1.54 0.00 0.00 39.78 34.08 1stx n ASN 120 CO 0.00 0.00 0.00 -0.51 0.28 0.00 0.00 177.26 177.03 1stx s ILE 121 N -2.90 0.87 0.18 2.41 2.07 -1.26 0.15 121.20 122.73 1stx s ILE 121 Ca 0.00 -0.89 -0.10 0.00 -1.41 0.00 0.00 60.65 58.25 1stx s ILE 121 Cb 0.00 -0.81 0.09 0.00 0.13 0.00 0.00 42.46 41.87 1stx s ILE 121 CO 0.00 -0.06 1.69 0.58 -1.91 0.00 0.00 174.94 175.24 1stx h VAL 122 N 4.59 1.26 -4.04 4.00 2.07 -1.09 -3.43 116.25 119.60 1stx h VAL 122 Ca -0.36 -0.98 -0.47 0.00 0.82 0.00 0.00 66.70 65.72 1stx h VAL 122 Cb 1.19 0.64 -0.24 0.00 -1.52 0.00 0.00 31.29 31.35 1stx h VAL 122 CO 0.44 0.37 -0.80 -0.31 0.02 0.00 0.00 177.57 177.29 1stx s TYR 123 N -5.27 1.34 0.34 1.57 2.02 -1.26 -5.08 117.35 111.01 1stx s TYR 123 Ca -0.12 -0.37 -0.25 0.00 -0.37 0.00 0.00 57.07 55.96 1stx s TYR 123 Cb 0.14 -0.79 -0.14 0.00 -0.40 0.00 0.00 41.96 40.77 1stx s TYR 123 CO 0.84 0.05 0.70 -2.30 -1.57 0.00 0.00 175.55 173.28 1stx n PRO 124 N 1.78 0.74 -0.19 -1.71 -0.02 -1.26 -4.86 135.00 129.49 1stx n PRO 124 Ca -0.18 0.27 0.00 0.00 -2.02 0.00 0.00 63.50 61.56 1stx n PRO 124 Cb 0.54 -1.54 0.10 0.00 -0.02 0.00 0.00 33.50 32.58 1stx n PRO 124 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 1stx h PHE 125 N 1.24 0.12 0.00 6.00 3.57 -0.90 -1.88 116.94 125.08 1stx h PHE 125 Ca -0.38 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.16 1stx h PHE 125 Cb 1.39 0.03 0.00 0.00 2.79 0.00 0.00 35.95 40.16 1stx h PHE 125 CO 0.41 -0.07 0.00 -0.40 -2.23 0.00 0.00 178.31 176.02 1stx n ASP 126 N -5.17 0.00 -0.54 0.41 5.68 -1.26 -1.74 116.55 113.93 1stx n ASP 126 Ca 0.08 0.06 0.12 0.00 -0.50 0.00 0.00 54.79 54.55 1stx n ASP 126 Cb 0.32 -0.10 0.16 0.00 -1.14 0.00 0.00 41.12 40.36 1stx n ASP 126 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1stx n GLN 127 N -1.10 1.41 -3.67 0.11 6.02 -0.71 -4.91 117.38 114.53 1stx n GLN 127 Ca 0.01 -1.08 -0.35 0.00 -0.01 0.00 0.00 57.00 55.57 1stx n GLN 127 Cb 0.01 -1.48 -0.08 0.00 1.02 0.00 0.00 30.24 29.71 1stx n GLN 127 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.06 176.76 1stx s TYR 128 N -2.33 3.43 -0.28 1.08 1.51 -0.71 -1.53 117.35 118.51 1stx s TYR 128 Ca 0.24 0.42 0.21 0.00 -1.01 0.00 0.00 57.07 56.93 1stx s TYR 128 Cb 0.19 -2.22 -0.30 0.00 -0.11 0.00 0.00 41.96 39.53 1stx s TYR 128 CO 0.48 0.28 0.57 0.44 -1.11 0.00 0.00 175.55 176.21 1stx n ILE 129 N 3.52 0.00 -3.98 2.71 -6.64 0.77 -4.86 119.36 110.88 1stx n ILE 129 Ca -0.15 -0.35 -0.09 0.00 -1.77 0.00 0.00 62.75 60.39 1stx n ILE 129 Cb 0.52 0.29 -0.11 0.00 -1.44 0.00 0.00 39.64 38.90 1stx n ILE 129 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 1stx s ALA 130 N -3.30 0.13 -0.26 -1.28 0.00 -1.21 -5.06 121.76 110.77 1stx s ALA 130 Ca -0.03 -0.62 -0.02 0.00 0.00 0.00 0.00 51.96 51.29 1stx s ALA 130 Cb 0.14 0.16 0.08 0.00 0.00 0.00 0.00 23.12 23.50 1stx s ALA 130 CO 0.86 -0.18 0.06 -1.01 0.00 0.00 0.00 175.76 175.49 1stx s HIS 131 N -1.67 1.42 0.01 0.00 3.76 -1.26 -0.88 115.29 116.67 1stx s HIS 131 Ca -0.14 -1.34 -0.00 0.00 -0.15 0.00 0.00 55.06 53.43 1stx s HIS 131 Cb -0.08 -1.38 -0.04 0.00 1.11 0.00 0.00 32.58 32.18 1stx s HIS 131 CO -0.02 -0.76 0.11 -1.58 -0.85 0.00 0.00 174.74 171.64 1stx s TRP 132 N 1.72 3.34 -0.10 1.40 0.51 0.24 -0.85 118.94 125.19 1stx s TRP 132 Ca 0.04 0.22 0.02 0.00 -2.12 0.00 0.00 56.10 54.26 1stx s TRP 132 Cb -0.17 -1.74 -0.01 0.00 -0.81 0.00 0.00 33.47 30.74 1stx s TRP 132 CO -0.18 0.57 -0.18 0.42 -0.51 0.00 0.00 176.95 177.07 1stx s ILE 133 N -1.27 2.65 -0.34 2.03 -1.09 0.12 -0.66 121.20 122.64 1stx s ILE 133 Ca 0.26 -0.82 -0.09 0.00 -2.23 0.00 0.00 60.65 57.77 1stx s ILE 133 Cb -0.12 -2.06 0.02 0.00 -1.58 0.00 0.00 42.46 38.72 1stx s ILE 133 CO 0.17 0.55 0.15 -0.63 -1.23 0.00 0.00 174.94 173.95 1stx s ILE 134 N 0.16 4.25 -0.12 2.92 1.01 -0.35 -1.36 121.20 127.72 1stx s ILE 134 Ca -0.10 -0.85 -0.05 0.00 0.00 0.00 0.00 60.65 59.65 1stx s ILE 134 Cb -0.16 -3.32 -0.04 0.00 0.01 0.00 0.00 42.46 38.95 1stx s ILE 134 CO 0.06 -0.13 0.08 -0.83 0.00 0.00 0.00 174.94 174.12 1stx s GLY 135 N 1.51 2.00 -0.08 6.18 0.00 0.08 -1.43 107.32 115.59 1stx s GLY 135 Ca 0.01 -0.72 0.03 0.00 0.00 0.00 0.00 44.72 44.04 1stx s GLY 135 CO 0.05 -0.37 -0.16 -0.19 0.00 0.00 0.00 173.10 172.43 1stx s TYR 136 N -0.72 2.68 -0.06 1.90 2.02 0.38 -1.25 117.35 122.30 1stx s TYR 136 Ca 0.12 -0.43 0.04 0.00 -0.37 0.00 0.00 57.07 56.44 1stx s TYR 136 Cb -0.12 -1.69 -0.00 0.00 -0.40 0.00 0.00 41.96 39.75 1stx s TYR 136 CO 0.03 -0.02 -0.20 0.08 -1.57 0.00 0.00 175.55 173.87 1stx s VAL 137 N -0.28 1.64 0.08 0.71 1.01 -0.20 -1.17 120.40 122.20 1stx s VAL 137 Ca 0.01 -0.82 0.02 0.00 0.00 0.00 0.00 61.98 61.19 1stx s VAL 137 Cb -0.13 -1.42 -0.04 0.00 0.00 0.00 0.00 36.38 34.80 1stx s VAL 137 CO 0.03 0.47 -0.07 -0.72 0.00 0.00 0.00 175.10 174.80 1stx s TYR 138 N 0.12 0.79 -0.28 5.22 1.13 -1.05 -0.87 117.35 122.42 1stx s TYR 138 Ca -0.08 -0.76 -0.16 0.00 -1.41 0.00 0.00 57.07 54.67 1stx s TYR 138 Cb -0.14 -0.47 -0.03 0.00 -1.10 0.00 0.00 41.96 40.23 1stx s TYR 138 CO 0.04 -0.13 0.43 0.99 -2.51 0.00 0.00 175.55 174.36 1stx s THR 139 N -2.76 5.13 0.64 -3.49 2.01 -0.55 -1.48 115.64 115.14 1stx s THR 139 Ca 0.03 0.62 -0.17 0.00 0.31 0.00 0.00 61.69 62.48 1stx s THR 139 Cb -0.01 -3.76 -0.04 0.00 0.01 0.00 0.00 72.50 68.71 1stx s THR 139 CO -0.03 0.10 0.90 0.54 -0.69 0.00 0.00 174.62 175.43 1stx n ARG 140 N 5.43 0.71 0.00 4.92 1.74 -1.02 -2.39 116.66 126.05 1stx n ARG 140 Ca -0.07 0.29 0.00 0.00 -0.77 0.00 0.00 57.85 57.30 1stx n ARG 140 Cb 0.50 -2.12 0.00 0.00 -1.02 0.00 0.00 32.46 29.82 1stx n ARG 140 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1stx n VAL 141 N -2.00 0.00 -0.02 1.55 0.31 -1.24 -4.81 118.33 112.12 1stx n VAL 141 Ca 0.13 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.46 1stx n VAL 141 Cb 0.48 -0.46 0.00 0.00 -0.91 0.00 0.00 33.84 32.96 1stx n VAL 141 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1stx n ALA 142 N -2.35 -0.21 -1.84 3.52 0.00 -1.26 -5.02 120.51 113.35 1stx n ALA 142 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.06 1stx n ALA 142 Cb 0.44 -0.03 -0.06 0.00 0.00 0.00 0.00 19.45 19.79 1stx n ALA 142 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1stx s THR 143 N -0.04 4.24 0.54 0.00 -4.23 -1.26 -4.91 115.64 109.98 1stx s THR 143 Ca 0.00 1.81 0.09 0.00 -1.18 0.00 0.00 61.69 62.41 1stx s THR 143 Cb 0.00 -4.10 0.07 0.00 1.34 0.00 0.00 72.50 69.81 1stx s THR 143 CO 0.00 0.30 0.73 -0.13 -0.54 0.00 0.00 174.62 174.98 1stx s ARG 144 N -1.69 2.43 0.32 3.99 0.52 -1.26 -4.99 118.95 118.27 1stx s ARG 144 Ca 0.45 -1.56 0.05 0.00 -0.52 0.00 0.00 55.73 54.15 1stx s ARG 144 Cb -0.21 -2.66 0.56 0.00 0.52 0.00 0.00 34.95 33.16 1stx s ARG 144 CO 0.26 -0.72 1.80 0.87 0.02 0.00 0.00 175.30 177.54 1stx h LYS 145 N 0.30 0.39 0.00 3.54 6.56 -2.02 -2.14 116.57 123.21 1stx h LYS 145 Ca -0.32 -0.12 0.00 0.00 -1.06 0.00 0.00 60.65 59.15 1stx h LYS 145 Cb 1.29 -0.04 0.00 0.00 -0.57 0.00 0.00 32.23 32.91 1stx h LYS 145 CO 0.42 0.57 0.00 -1.13 -2.06 0.00 0.00 179.45 177.25 1stx n SER 146 N -4.18 0.06 -0.02 0.86 3.41 -1.26 -1.43 113.62 111.06 1stx n SER 146 Ca -0.00 0.52 0.14 0.00 -0.26 0.00 0.00 58.87 59.28 1stx n SER 146 Cb 0.34 -0.53 0.68 0.00 -0.26 0.00 0.00 64.21 64.44 1stx n SER 146 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1stx n SER 147 N -1.58 0.10 -1.31 4.04 3.41 -0.80 -3.56 113.62 113.91 1stx n SER 147 Ca 0.01 -0.06 0.11 0.00 -0.26 0.00 0.00 58.87 58.67 1stx n SER 147 Cb 0.08 -0.28 0.31 0.00 -0.26 0.00 0.00 64.21 64.06 1stx n SER 147 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1stx n LEU 148 N -1.30 3.83 -4.76 1.04 4.77 -0.51 -4.42 117.00 115.65 1stx n LEU 148 Ca 0.12 -1.92 -0.23 0.00 -0.03 0.00 0.00 56.01 53.96 1stx n LEU 148 Cb 0.27 -0.48 -0.06 0.00 -2.33 0.00 0.00 43.42 40.83 1stx n LEU 148 CO 0.25 0.88 -0.18 -1.59 -1.33 0.00 0.00 177.39 175.42 1stx s LYS 149 N -1.24 2.48 0.38 3.23 0.00 -1.23 -5.10 119.74 118.26 1stx s LYS 149 Ca 0.46 -1.45 0.07 0.00 0.00 0.00 0.00 55.97 55.05 1stx s LYS 149 Cb 0.25 -2.27 -0.00 0.00 0.00 0.00 0.00 37.83 35.81 1stx s LYS 149 CO 0.29 0.14 0.50 0.95 0.00 0.00 0.00 175.35 177.24 1stx s THR 150 N -2.37 3.41 0.20 3.79 -4.23 -1.26 -4.42 115.64 110.75 1stx s THR 150 Ca 0.38 -1.05 -0.05 0.00 -1.18 0.00 0.00 61.69 59.79 1stx s THR 150 Cb -0.04 -3.16 -0.03 0.00 1.34 0.00 0.00 72.50 70.61 1stx s THR 150 CO 0.23 -0.07 0.23 -0.31 -0.54 0.00 0.00 174.62 174.17 1stx s TYR 151 N -2.29 0.79 0.37 3.99 1.51 -0.64 -4.96 117.35 116.12 1stx s TYR 151 Ca 0.50 -1.09 0.09 0.00 -1.01 0.00 0.00 57.07 55.55 1stx s TYR 151 Cb -0.09 -0.28 -0.07 0.00 -0.11 0.00 0.00 41.96 41.42 1stx s TYR 151 CO 0.32 -0.73 -0.03 0.54 -1.11 0.00 0.00 175.55 174.54 1stx s ASN 152 N -3.08 3.89 0.63 2.29 2.20 -1.26 -0.23 114.94 119.38 1stx s ASN 152 Ca 0.29 -1.21 0.15 0.00 -0.94 0.00 0.00 52.86 51.15 1stx s ASN 152 Cb 0.04 -0.40 0.79 0.00 -2.00 0.00 0.00 41.25 39.69 1stx s ASN 152 CO 0.08 -0.30 1.43 0.16 -2.94 0.00 0.00 177.10 175.53 1stx h ILE 153 N 1.88 0.00 -0.00 0.54 3.07 -1.97 0.02 117.51 121.04 1stx h ILE 153 Ca -0.43 0.00 0.00 0.00 1.55 0.00 0.00 64.86 65.98 1stx h ILE 153 Cb 1.25 0.32 0.00 0.00 -0.27 0.00 0.00 36.82 38.12 1stx h ILE 153 CO 0.73 0.00 -0.26 0.59 -1.05 0.00 0.00 178.15 178.16 1stx n ASN 154 N -2.63 0.60 -0.80 2.16 3.02 -1.26 -4.04 115.26 112.31 1stx n ASN 154 Ca -0.01 -0.46 0.09 0.00 -0.03 0.00 0.00 54.58 54.17 1stx n ASN 154 Cb 0.67 0.04 0.24 0.00 -0.61 0.00 0.00 39.78 40.12 1stx n ASN 154 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1stx n GLU 155 N -1.08 2.77 -0.26 3.52 1.02 -0.01 -4.80 120.64 121.80 1stx n GLU 155 Ca 0.10 -2.77 0.07 0.00 -0.02 0.00 0.00 57.16 54.55 1stx n GLU 155 Cb 0.32 -1.78 0.20 0.00 -0.02 0.00 0.00 31.44 30.17 1stx n GLU 155 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1stx h LEU 156 N 1.64 -0.01 -0.11 -4.62 3.38 -1.70 0.49 115.31 114.38 1stx h LEU 156 Ca 0.00 0.16 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1stx h LEU 156 Cb 1.36 0.22 0.00 0.00 0.09 0.00 0.00 40.66 42.33 1stx h LEU 156 CO 0.19 -0.07 0.00 0.59 0.09 0.00 0.00 178.44 179.24 1stx n ASN 157 N -5.18 0.18 -1.11 -0.43 4.13 -1.26 -2.83 115.26 108.76 1stx n ASN 157 Ca 0.16 -1.18 0.12 0.00 1.68 0.00 0.00 54.58 55.36 1stx n ASN 157 Cb 0.51 -0.00 0.20 0.00 -1.54 0.00 0.00 39.78 38.94 1stx n ASN 157 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 1stx n GLU 158 N -0.81 2.47 -3.31 3.52 1.02 0.17 -4.92 120.64 118.78 1stx n GLU 158 Ca 0.21 -2.20 -0.38 0.00 -0.02 0.00 0.00 57.16 54.77 1stx n GLU 158 Cb 0.12 -1.50 -0.06 0.00 -0.02 0.00 0.00 31.44 29.98 1stx n GLU 158 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1stx s ILE 159 N -1.61 5.06 0.19 -3.67 1.01 -1.13 -5.03 121.20 116.02 1stx s ILE 159 Ca 0.37 1.03 -0.30 0.00 0.00 0.00 0.00 60.65 61.75 1stx s ILE 159 Cb 0.22 -3.84 -0.08 0.00 0.01 0.00 0.00 42.46 38.78 1stx s ILE 159 CO 0.31 0.41 1.04 -2.16 0.00 0.00 0.00 174.94 174.54 1stx s PRO 160 N 0.01 4.68 -0.20 2.79 0.04 -1.26 -5.03 135.00 136.02 1stx s PRO 160 Ca 0.27 1.62 -0.11 0.00 0.04 0.00 0.00 61.00 62.82 1stx s PRO 160 Cb -0.16 -3.29 -0.05 0.00 0.04 0.00 0.00 34.50 31.04 1stx s PRO 160 CO 0.13 0.22 0.18 0.15 0.04 0.00 0.00 177.00 177.72 1stx s LYS 161 N -0.60 4.17 -0.09 4.56 1.02 -1.26 -4.67 119.74 122.87 1stx s LYS 161 Ca 0.46 -0.16 -0.00 0.00 0.02 0.00 0.00 55.97 56.29 1stx s LYS 161 Cb -0.28 -3.46 0.07 0.00 -0.52 0.00 0.00 37.83 33.64 1stx s LYS 161 CO 0.34 0.21 1.95 -0.35 -0.92 0.00 0.00 175.35 176.58 1stx n PRO 162 N 3.79 1.23 -3.62 -1.68 -0.04 -1.26 -4.84 135.00 128.59 1stx n PRO 162 Ca -0.15 -0.46 -0.07 0.00 -0.04 0.00 0.00 63.50 62.79 1stx n PRO 162 Cb 0.52 -1.18 -0.02 0.00 -0.04 0.00 0.00 33.50 32.78 1stx n PRO 162 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 1stx s TYR 163 N -0.54 -0.27 0.14 0.54 -0.85 -1.26 -3.60 117.35 111.50 1stx s TYR 163 Ca 0.09 0.03 -0.23 0.00 -0.52 0.00 0.00 57.07 56.45 1stx s TYR 163 Cb 0.07 0.59 0.07 0.00 0.38 0.00 0.00 41.96 43.07 1stx s TYR 163 CO -0.00 -0.75 0.58 -1.59 -1.52 0.00 0.00 175.55 172.27 1stx s LYS 164 N -3.32 1.23 -1.24 -3.49 -2.85 -1.01 -4.92 119.74 104.15 1stx s LYS 164 Ca 0.08 -0.43 -0.04 0.00 -1.00 0.00 0.00 55.97 54.58 1stx s LYS 164 Cb -0.02 0.56 0.00 0.00 -2.06 0.00 0.00 37.83 36.32 1stx s LYS 164 CO -0.04 -0.52 1.06 0.41 0.10 0.00 0.00 175.35 176.36 1stx n GLY 165 N -0.23 -0.42 3.73 0.59 0.00 -1.26 -1.48 105.19 106.13 1stx n GLY 165 Ca -0.17 0.15 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 1stx n GLY 165 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1stx s VAL 166 N -3.33 3.84 0.04 1.61 1.01 -1.26 -4.30 120.40 118.01 1stx s VAL 166 Ca 0.25 1.52 0.05 0.00 0.00 0.00 0.00 61.98 63.80 1stx s VAL 166 Cb -0.11 -3.97 -0.02 0.00 0.00 0.00 0.00 36.38 32.27 1stx s VAL 166 CO 0.71 0.23 -0.14 -0.54 0.00 0.00 0.00 175.10 175.36 1stx s LYS 167 N -0.07 0.95 0.04 2.72 1.02 -0.04 -4.99 119.74 119.36 1stx s LYS 167 Ca 0.52 -0.78 0.04 0.00 0.02 0.00 0.00 55.97 55.77 1stx s LYS 167 Cb -0.30 -0.96 -0.02 0.00 -0.52 0.00 0.00 37.83 36.03 1stx s LYS 167 CO 0.34 0.24 -0.12 0.54 -0.92 0.00 0.00 175.35 175.42 1stx s VAL 168 N -0.88 0.98 0.06 3.17 0.11 -1.26 -1.03 120.40 121.54 1stx s VAL 168 Ca 0.02 -0.98 -0.03 0.00 -2.93 0.00 0.00 61.98 58.05 1stx s VAL 168 Cb -0.08 -0.91 -0.03 0.00 -1.53 0.00 0.00 36.38 33.84 1stx s VAL 168 CO 0.01 -0.06 0.04 0.72 -3.33 0.00 0.00 175.10 172.48 1stx s PHE 169 N -0.91 0.39 -0.07 1.54 -0.12 -0.38 -4.91 117.98 113.52 1stx s PHE 169 Ca -0.00 -0.88 0.01 0.00 -0.05 0.00 0.00 56.93 56.01 1stx s PHE 169 Cb -0.08 -0.28 0.02 0.00 -0.63 0.00 0.00 43.02 42.05 1stx s PHE 169 CO 0.01 -0.42 -0.09 -1.17 -0.05 0.00 0.00 175.22 173.50 1stx s LEU 170 N -2.80 1.42 0.13 -1.99 0.20 -1.26 -0.74 118.68 113.64 1stx s LEU 170 Ca 0.05 -0.25 -0.20 0.00 0.69 0.00 0.00 54.13 54.41 1stx s LEU 170 Cb 0.06 -0.73 0.05 0.00 -0.43 0.00 0.00 46.19 45.14 1stx s LEU 170 CO -0.10 -0.03 0.50 -1.58 -0.29 0.00 0.00 176.35 174.86 1stx s GLN 171 N 1.02 1.15 0.38 1.98 2.00 -0.46 -4.91 119.66 120.82 1stx s GLN 171 Ca -0.08 -0.53 -0.27 0.00 -2.00 0.00 0.00 55.36 52.48 1stx s GLN 171 Cb -0.15 0.52 -0.10 0.00 0.80 0.00 0.00 33.01 34.09 1stx s GLN 171 CO -0.00 -0.47 1.35 -0.51 -0.50 0.00 0.00 175.29 175.16 1stx s ASP 172 N -2.63 6.41 0.10 6.67 1.01 -1.26 0.13 116.67 127.10 1stx s ASP 172 Ca 0.01 2.76 -0.25 0.00 0.71 0.00 0.00 52.55 55.78 1stx s ASP 172 Cb 0.00 -2.65 -0.11 0.00 1.01 0.00 0.00 42.92 41.17 1stx s ASP 172 CO -0.11 -0.79 1.69 0.50 0.21 0.00 0.00 175.17 176.67 1stx h LYS 173 N 2.91 -0.27 -0.24 8.23 3.64 -1.32 -2.69 116.57 126.84 1stx h LYS 173 Ca -0.50 0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 58.89 1stx h LYS 173 Cb 1.24 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 33.11 1stx h LYS 173 CO 0.64 -0.18 0.09 0.11 -2.27 0.00 0.00 179.45 177.84 1stx h TRP 174 N -0.28 0.32 -0.60 1.91 5.08 -1.92 -2.18 115.95 118.26 1stx h TRP 174 Ca 0.01 -0.00 -0.09 0.00 1.08 0.00 0.00 58.89 59.89 1stx h TRP 174 Cb 0.28 -0.10 -0.02 0.00 -3.00 0.00 0.00 29.16 26.32 1stx h TRP 174 CO -0.14 0.26 0.02 0.28 -1.28 0.00 0.00 178.44 177.57 1stx h VAL 175 N 0.33 1.26 -0.15 0.12 2.07 -1.89 -3.12 116.25 114.87 1stx h VAL 175 Ca 0.08 -1.12 0.00 0.00 0.82 0.00 0.00 66.70 66.48 1stx h VAL 175 Cb 0.07 0.80 0.00 0.00 -1.52 0.00 0.00 31.29 30.64 1stx h VAL 175 CO -0.01 0.41 0.00 2.30 0.02 0.00 0.00 177.57 180.29 1stx n ILE 176 N -4.21 0.17 -2.05 4.57 -5.35 -1.03 -3.78 119.36 107.67 1stx n ILE 176 Ca 0.03 -0.49 -0.41 0.00 -0.27 0.00 0.00 62.75 61.60 1stx n ILE 176 Cb 0.33 0.97 -0.02 0.00 -1.74 0.00 0.00 39.64 39.19 1stx n ILE 176 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1stx s ALA 177 N -1.83 3.57 0.00 -1.28 0.00 -0.85 -1.13 121.76 120.24 1stx s ALA 177 Ca 0.34 1.30 0.00 0.00 0.00 0.00 0.00 51.96 53.60 1stx s ALA 177 Cb 0.21 -3.53 0.00 0.00 0.00 0.00 0.00 23.12 19.80 1stx s ALA 177 CO 0.31 -0.71 0.00 0.41 0.00 0.00 0.00 175.76 175.76 1stx n GLY 178 N 1.58 2.13 0.46 0.00 0.00 0.24 -4.35 105.19 105.25 1stx n GLY 178 Ca 0.04 -2.12 0.04 0.00 0.00 0.00 0.00 46.02 43.98 1stx n GLY 178 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1stx n ASP 179 N -2.36 2.49 -4.21 1.61 5.75 -1.26 -4.78 116.55 113.80 1stx n ASP 179 Ca 0.00 -1.86 -0.30 0.00 -0.01 0.00 0.00 54.79 52.63 1stx n ASP 179 Cb 0.00 -0.14 -0.16 0.00 -1.03 0.00 0.00 41.12 39.79 1stx n ASP 179 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1stx s LEU 180 N -0.94 2.00 0.28 -2.12 1.43 -1.26 -4.49 118.68 113.58 1stx s LEU 180 Ca 0.16 -0.46 -0.29 0.00 -1.03 0.00 0.00 54.13 52.51 1stx s LEU 180 Cb 0.09 -1.23 -0.14 0.00 0.03 0.00 0.00 46.19 44.94 1stx s LEU 180 CO 0.12 0.19 1.22 0.00 0.23 0.00 0.00 176.35 178.12 1stx n ALA 181 N 3.15 0.54 0.56 4.21 0.00 -1.26 -2.32 120.51 125.38 1stx n ALA 181 Ca -0.18 0.40 0.13 0.00 0.00 0.00 0.00 53.44 53.78 1stx n ALA 181 Cb 0.52 -2.16 0.34 0.00 0.00 0.00 0.00 19.45 18.15 1stx n ALA 181 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1stx h GLY 182 N 2.95 0.00 -3.40 0.00 0.00 0.20 -3.39 103.07 99.42 1stx h GLY 182 Ca -0.43 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 46.86 1stx h GLY 182 CO 0.67 0.00 0.19 -1.35 0.00 0.00 0.00 176.54 176.04 1stx s SER 183 N -4.72 -0.59 0.00 0.19 1.04 -1.19 -4.87 113.70 103.56 1stx s SER 183 Ca 0.09 0.27 0.00 0.00 0.48 0.00 0.00 55.95 56.79 1stx s SER 183 Cb 0.11 0.57 0.00 0.00 0.10 0.00 0.00 66.02 66.80 1stx s SER 183 CO 0.63 -0.82 0.00 0.61 0.98 0.00 0.00 173.24 174.63 1stx n GLY 184 N 0.14 0.17 0.33 7.32 0.00 -1.26 -2.92 105.19 108.97 1stx n GLY 184 Ca -0.18 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.01 1stx n GLY 184 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 1stx h ASN 185 N 0.00 0.00 -0.43 1.61 7.08 -2.00 -0.54 115.58 121.30 1stx h ASN 185 Ca 0.00 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.22 1stx h ASN 185 Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.24 1stx h ASN 185 CO 0.00 0.00 0.00 0.35 -2.08 0.00 0.00 177.43 175.70 1stx n THR 186 N -3.75 2.44 -3.41 6.14 -2.24 -1.26 -5.03 114.28 107.16 1stx n THR 186 Ca 0.01 -1.61 -0.18 0.00 -2.27 0.00 0.00 64.05 60.00 1stx n THR 186 Cb 0.28 -0.22 0.00 0.00 -2.10 0.00 0.00 70.33 68.29 1stx n THR 186 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1stx n THR 187 N 0.12 -1.88 -4.10 4.28 -2.24 -0.21 -4.76 114.28 105.50 1stx n THR 187 Ca 0.24 -0.07 -0.29 0.00 -2.27 0.00 0.00 64.05 61.66 1stx n THR 187 Cb 1.02 -1.66 -0.07 0.00 -2.10 0.00 0.00 70.33 67.51 1stx n THR 187 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 1stx s ASN 188 N -2.87 5.28 0.04 3.42 0.02 -1.15 -1.71 114.94 117.98 1stx s ASN 188 Ca 0.05 -0.12 -0.31 0.00 -1.02 0.00 0.00 52.86 51.47 1stx s ASN 188 Cb -0.03 -1.33 -0.06 0.00 0.02 0.00 0.00 41.25 39.85 1stx s ASN 188 CO 0.55 0.15 1.26 -0.63 0.02 0.00 0.00 177.10 178.45 1stx s ILE 189 N -1.45 3.90 0.23 0.60 1.01 -0.61 0.73 121.20 125.61 1stx s ILE 189 Ca 0.28 1.34 -0.12 0.00 0.00 0.00 0.00 60.65 62.15 1stx s ILE 189 Cb -0.11 -3.86 -0.08 0.00 0.01 0.00 0.00 42.46 38.42 1stx s ILE 189 CO 0.21 0.07 0.60 -0.83 0.00 0.00 0.00 174.94 174.99 1stx s GLY 190 N 1.24 2.34 0.85 6.18 0.00 -0.98 -0.93 107.32 116.02 1stx s GLY 190 Ca 0.60 -0.16 -0.08 0.00 0.00 0.00 0.00 44.72 45.09 1stx s GLY 190 CO 0.28 0.04 1.16 -1.14 0.00 0.00 0.00 173.10 173.43 1stx n SER 191 N 0.06 0.81 -4.66 1.64 3.41 -0.40 -0.59 113.62 113.89 1stx n SER 191 Ca -0.00 -1.86 -0.30 0.00 -0.26 0.00 0.00 58.87 56.45 1stx n SER 191 Cb 0.52 -0.82 0.17 0.00 -0.26 0.00 0.00 64.21 63.82 1stx n SER 191 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 1stx s ILE 192 N -3.49 2.37 -0.36 -1.33 -4.36 -0.28 -4.03 121.20 109.71 1stx s ILE 192 Ca 0.71 0.12 -0.05 0.00 -0.26 0.00 0.00 60.65 61.17 1stx s ILE 192 Cb -0.03 -2.31 0.07 0.00 1.25 0.00 0.00 42.46 41.44 1stx s ILE 192 CO 0.48 -0.16 0.14 -2.28 0.24 0.00 0.00 174.94 173.36 1stx s HIS 193 N -2.70 3.36 0.31 1.37 5.65 -1.26 -4.45 115.29 117.56 1stx s HIS 193 Ca 0.66 -1.80 -0.19 0.00 0.25 0.00 0.00 55.06 53.98 1stx s HIS 193 Cb -0.21 -2.61 0.05 0.00 -1.18 0.00 0.00 32.58 28.62 1stx s HIS 193 CO 0.59 -0.83 0.81 0.00 -0.65 0.00 0.00 174.74 174.65 1stx s ALA 194 N 1.31 -1.06 0.73 1.58 0.00 -0.89 -4.88 121.76 118.55 1stx s ALA 194 Ca 0.01 -0.49 -0.11 0.00 0.00 0.00 0.00 51.96 51.37 1stx s ALA 194 Cb -0.21 0.74 0.03 0.00 0.00 0.00 0.00 23.12 23.68 1stx s ALA 194 CO 0.00 -1.02 1.07 -1.01 0.00 0.00 0.00 175.76 174.81 1stx s HIS 195 N -2.89 2.91 0.28 0.00 3.76 -1.26 -1.68 115.29 116.40 1stx s HIS 195 Ca 0.14 1.44 0.02 0.00 -0.15 0.00 0.00 55.06 56.52 1stx s HIS 195 Cb -0.05 -2.95 0.66 0.00 1.11 0.00 0.00 32.58 31.35 1stx s HIS 195 CO 0.09 -1.47 1.74 -0.92 -0.85 0.00 0.00 174.74 173.32 1stx h TYR 196 N -0.89 0.78 -0.88 1.40 3.20 -1.89 -1.40 116.97 117.29 1stx h TYR 196 Ca -0.44 0.04 0.01 0.00 3.14 0.00 0.00 58.73 61.48 1stx h TYR 196 Cb 1.22 -0.21 -0.04 0.00 1.54 0.00 0.00 36.73 39.24 1stx h TYR 196 CO 0.59 0.09 0.58 0.87 -1.64 0.00 0.00 178.16 178.65 1stx h LYS 197 N 0.55 1.16 -0.75 1.82 1.79 -1.99 -1.50 116.57 117.65 1stx h LYS 197 Ca 0.53 -0.07 0.06 0.00 -2.18 0.00 0.00 60.65 58.98 1stx h LYS 197 Cb 0.89 -0.26 -0.05 0.00 -1.58 0.00 0.00 32.23 31.23 1stx h LYS 197 CO -0.44 0.77 0.49 -0.44 -1.08 0.00 0.00 179.45 178.75 1stx h ASP 198 N 1.20 0.72 -0.04 0.86 3.32 -1.61 0.10 116.42 120.97 1stx h ASP 198 Ca 0.32 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.35 1stx h ASP 198 Cb -0.14 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 39.26 1stx h ASP 198 CO -0.07 0.47 -0.06 -0.26 -1.72 0.00 0.00 179.24 177.61 1stx h PHE 199 N 0.82 0.12 -0.51 4.55 -1.00 -1.27 0.20 116.94 119.86 1stx h PHE 199 Ca 0.32 -0.04 0.06 0.00 2.81 0.00 0.00 57.97 61.12 1stx h PHE 199 Cb 0.20 -0.02 -0.05 0.00 3.61 0.00 0.00 35.95 39.68 1stx h PHE 199 CO -0.00 0.62 0.21 0.28 -1.61 0.00 0.00 178.31 177.81 1stx h VAL 200 N -0.41 0.87 0.00 -0.55 2.07 -1.06 -2.60 116.25 114.57 1stx h VAL 200 Ca 0.00 -0.14 -0.00 0.00 0.82 0.00 0.00 66.70 67.38 1stx h VAL 200 Cb 0.61 0.42 -0.00 0.00 -1.52 0.00 0.00 31.29 30.80 1stx h VAL 200 CO 0.01 0.07 -0.10 -0.33 0.02 0.00 0.00 177.57 177.25 1stx h GLU 201 N 0.41 0.00 -0.23 1.57 5.08 -0.84 -3.49 114.58 117.08 1stx h GLU 201 Ca 0.24 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.60 1stx h GLU 201 Cb 0.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.48 1stx h GLU 201 CO -0.22 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.20 1stx n GLY 202 N 1.11 0.63 3.58 -3.84 0.00 0.54 -4.95 105.19 102.26 1stx n GLY 202 Ca 0.04 -0.76 -0.40 0.00 0.00 0.00 0.00 46.02 44.90 1stx n GLY 202 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1stx s LYS 203 N -3.92 3.66 0.00 1.61 -0.14 -0.22 -4.91 119.74 115.82 1stx s LYS 203 Ca 0.00 -1.82 0.00 0.00 -1.36 0.00 0.00 55.97 52.79 1stx s LYS 203 Cb 0.00 -5.47 0.00 0.00 -1.68 0.00 0.00 37.83 30.68 1stx s LYS 203 CO 0.00 -2.65 0.00 0.41 -0.76 0.00 0.00 175.35 172.35 1stx n GLY 204 N 5.49 1.44 0.00 -3.33 0.00 -1.25 -4.90 105.19 102.64 1stx n GLY 204 Ca 0.48 -2.00 0.00 0.00 0.00 0.00 0.00 46.02 44.50 1stx n GLY 204 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1stx n ILE 205 N -0.48 0.02 -2.76 -0.61 -5.35 -1.26 -5.05 119.36 103.88 1stx n ILE 205 Ca 0.00 -0.02 -0.33 0.00 -0.27 0.00 0.00 62.75 62.13 1stx n ILE 205 Cb 0.00 -0.19 -0.06 0.00 -1.74 0.00 0.00 39.64 37.65 1stx n ILE 205 CO 0.00 0.00 0.00 -0.36 -1.76 0.00 0.00 176.55 174.43 1stx s PHE 206 N -2.04 3.35 0.08 4.28 0.08 -1.26 -4.97 117.98 117.50 1stx s PHE 206 Ca -0.00 1.54 0.08 0.00 0.12 0.00 0.00 56.93 58.66 1stx s PHE 206 Cb 0.00 -2.80 -0.22 0.00 -0.57 0.00 0.00 43.02 39.43 1stx s PHE 206 CO 0.03 -0.15 1.14 -0.44 -0.10 0.00 0.00 175.22 175.70 1stx h ASP 207 N 1.72 0.02 -5.12 1.36 3.32 -1.96 -3.48 116.42 112.28 1stx h ASP 207 Ca -0.48 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 56.53 1stx h ASP 207 Cb 1.18 -0.01 -0.08 0.00 0.22 0.00 0.00 39.33 40.64 1stx h ASP 207 CO 0.61 1.02 0.02 -0.94 -1.72 0.00 0.00 179.24 178.24 1stx s SER 208 N -6.60 -0.20 0.41 6.45 1.04 -1.26 -5.01 113.70 108.53 1stx s SER 208 Ca -0.01 -0.68 0.14 0.00 0.48 0.00 0.00 55.95 55.88 1stx s SER 208 Cb 0.09 0.62 0.87 0.00 0.10 0.00 0.00 66.02 67.70 1stx s SER 208 CO 0.82 -1.16 1.91 -0.08 0.98 0.00 0.00 173.24 175.71 1stx h GLU 209 N 2.17 0.00 -0.23 4.02 4.81 -1.93 -1.80 114.58 121.62 1stx h GLU 209 Ca -0.25 0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 58.88 1stx h GLU 209 Cb 1.25 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.62 1stx h GLU 209 CO 0.33 0.28 -0.27 -0.44 -0.73 0.00 0.00 179.01 178.17 1stx h ASP 210 N 0.00 0.46 -0.05 1.04 3.45 -1.98 0.11 116.42 119.45 1stx h ASP 210 Ca -0.00 -0.16 -0.21 0.00 0.43 0.00 0.00 57.03 57.08 1stx h ASP 210 Cb 0.49 -0.13 0.01 0.00 -0.56 0.00 0.00 39.33 39.14 1stx h ASP 210 CO 0.04 0.72 -0.77 -0.08 -1.57 0.00 0.00 179.24 177.58 1stx h GLU 211 N 0.40 0.70 -0.17 3.56 4.81 -1.83 0.18 114.58 122.23 1stx h GLU 211 Ca 0.06 -0.57 0.03 0.00 -0.13 0.00 0.00 59.36 58.75 1stx h GLU 211 Cb 0.69 0.12 -0.03 0.00 0.63 0.00 0.00 28.75 30.16 1stx h GLU 211 CO 0.05 1.18 -0.04 0.35 -0.73 0.00 0.00 179.01 179.83 1stx h PHE 212 N 0.48 -0.08 -0.52 0.92 3.57 -0.76 -1.06 116.94 119.50 1stx h PHE 212 Ca -0.05 0.01 -0.11 0.00 3.53 0.00 0.00 57.97 61.36 1stx h PHE 212 Cb 1.38 0.06 -0.02 0.00 2.79 0.00 0.00 35.95 40.16 1stx h PHE 212 CO 0.08 -0.06 -0.09 -0.07 -2.23 0.00 0.00 178.31 175.93 1stx h LEU 213 N 0.01 0.95 -0.47 0.59 3.38 -0.65 -2.02 115.31 117.10 1stx h LEU 213 Ca 0.08 -0.30 -0.10 0.00 0.09 0.00 0.00 57.88 57.65 1stx h LEU 213 Cb 0.12 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 1stx h LEU 213 CO -0.17 1.06 -0.11 -0.78 0.09 0.00 0.00 178.44 178.53 1stx h ASP 214 N 0.86 0.91 -0.21 -0.43 3.58 -0.68 -1.14 116.42 119.31 1stx h ASP 214 Ca 0.14 -0.36 -0.01 0.00 0.42 0.00 0.00 57.03 57.22 1stx h ASP 214 Cb 0.63 -0.25 -0.01 0.00 1.72 0.00 0.00 39.33 41.43 1stx h ASP 214 CO 0.04 1.05 0.08 0.22 -2.88 0.00 0.00 179.24 177.76 1stx h TYR 215 N 0.74 0.32 0.00 0.28 5.03 -1.10 -2.57 116.97 119.67 1stx h TYR 215 Ca 0.12 -0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.40 1stx h TYR 215 Cb 0.66 -0.09 0.00 0.00 1.55 0.00 0.00 36.73 38.84 1stx h TYR 215 CO 0.05 0.37 0.00 -1.49 -1.32 0.00 0.00 178.16 175.77 1stx h TRP 216 N 0.17 0.00 0.00 -3.82 4.06 -1.31 -2.40 115.95 112.66 1stx h TRP 216 Ca 0.07 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.02 1stx h TRP 216 Cb 0.19 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.35 1stx h TRP 216 CO -0.01 0.00 0.00 0.00 -3.56 0.00 0.00 178.44 174.87 1stx h ARG 217 N 0.00 0.00 -0.03 0.49 3.08 -1.09 -3.31 114.38 113.51 1stx h ARG 217 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1stx h ARG 217 Cb 0.84 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.89 1stx h ARG 217 CO 0.00 0.00 0.00 0.09 -1.07 0.00 0.00 179.97 178.99 1stx n ASN 218 N -3.00 1.97 -4.66 7.04 3.02 -0.98 -4.99 115.26 113.66 1stx n ASN 218 Ca 0.03 -1.87 -0.43 0.00 -0.03 0.00 0.00 54.58 52.28 1stx n ASN 218 Cb 0.44 -0.02 -0.02 0.00 -0.61 0.00 0.00 39.78 39.56 1stx n ASN 218 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1stx s TYR 219 N -0.88 2.70 0.45 3.10 5.04 -0.93 -4.99 117.35 121.83 1stx s TYR 219 Ca 0.02 0.87 -0.22 0.00 -2.44 0.00 0.00 57.07 55.30 1stx s TYR 219 Cb 0.01 -3.58 -0.08 0.00 0.35 0.00 0.00 41.96 38.66 1stx s TYR 219 CO 0.02 -2.08 1.08 -1.21 -1.34 0.00 0.00 175.55 172.01 1stx s GLU 220 N 3.57 3.91 0.50 4.97 0.41 -1.26 -4.96 118.70 125.84 1stx s GLU 220 Ca 0.58 1.53 0.23 0.00 -0.41 0.00 0.00 54.97 56.91 1stx s GLU 220 Cb -0.24 -2.35 1.33 0.00 -1.78 0.00 0.00 34.13 31.10 1stx s GLU 220 CO 0.17 -0.36 2.06 0.00 -0.49 0.00 0.00 175.26 176.64 1stx h ARG 221 N 2.04 0.00 -5.37 1.61 3.08 -1.94 -3.44 114.38 110.36 1stx h ARG 221 Ca -0.49 0.00 -0.66 0.00 0.07 0.00 0.00 59.98 58.90 1stx h ARG 221 Cb 1.23 0.00 -0.12 0.00 0.08 0.00 0.00 29.97 31.16 1stx h ARG 221 CO 0.60 0.13 -0.51 0.95 -1.07 0.00 0.00 179.97 180.07 1stx s THR 222 N -4.37 1.41 -0.03 2.04 -4.23 -1.26 -5.02 115.64 104.18 1stx s THR 222 Ca -0.03 -1.95 0.12 0.00 -1.18 0.00 0.00 61.69 58.65 1stx s THR 222 Cb 0.14 -2.35 -0.13 0.00 1.34 0.00 0.00 72.50 71.50 1stx s THR 222 CO 0.62 0.00 1.13 -1.28 -0.54 0.00 0.00 174.62 174.55 1stx h SER 223 N 1.39 0.00 -0.26 3.99 0.87 -1.98 -2.38 113.55 115.18 1stx h SER 223 Ca -0.43 0.00 -0.19 0.00 -1.23 0.00 0.00 61.79 59.94 1stx h SER 223 Cb 1.30 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.26 1stx h SER 223 CO 0.74 0.79 -0.57 1.56 -0.53 0.00 0.00 176.83 178.82 1stx h GLN 224 N 0.00 0.84 -0.02 2.24 7.50 -1.98 0.40 115.11 124.09 1stx h GLN 224 Ca -0.09 -0.56 -0.11 0.00 0.50 0.00 0.00 58.65 58.39 1stx h GLN 224 Cb 1.68 0.08 -0.01 0.00 0.05 0.00 0.00 27.48 29.27 1stx h GLN 224 CO 0.09 1.19 -0.51 -0.07 -1.50 0.00 0.00 178.83 178.03 1stx h LEU 225 N 0.61 0.06 0.00 1.46 4.07 -1.95 -2.91 115.31 116.64 1stx h LEU 225 Ca 0.00 -0.03 -0.12 0.00 0.08 0.00 0.00 57.88 57.81 1stx h LEU 225 Cb 1.19 -0.02 -0.02 0.00 1.08 0.00 0.00 40.66 42.89 1stx h LEU 225 CO 0.13 0.56 -1.05 0.03 -1.08 0.00 0.00 178.44 177.02 1stx h ARG 226 N 0.04 0.00 0.00 1.13 3.08 -1.30 -3.41 114.38 113.92 1stx h ARG 226 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1stx h ARG 226 Cb 0.91 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.96 1stx h ARG 226 CO 0.07 0.31 0.00 -1.71 -1.07 0.00 0.00 179.97 177.56 1stx n ASN 227 N -2.97 0.00 -3.33 7.04 4.05 0.14 -1.59 115.26 118.60 1stx n ASN 227 Ca -0.05 0.40 -0.34 0.00 0.45 0.00 0.00 54.58 55.04 1stx n ASN 227 Cb 0.76 -0.15 -0.01 0.00 1.23 0.00 0.00 39.78 41.61 1stx n ASN 227 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 177.26 173.31 1stx n ASP 228 N -1.84 5.89 0.00 1.20 5.75 -1.26 -4.49 116.55 121.80 1stx n ASP 228 Ca 0.00 -3.67 0.00 0.00 -0.01 0.00 0.00 54.79 51.11 1stx n ASP 228 Cb 0.00 -0.88 0.00 0.00 -1.03 0.00 0.00 41.12 39.21 1stx n ASP 228 CO 0.00 0.00 0.00 1.17 -0.11 0.00 0.00 177.20 178.26 1stx n LYS 229 N -0.05 0.00 -3.59 0.11 4.81 -0.62 -5.09 118.16 113.73 1stx n LYS 229 Ca 0.38 0.00 -0.12 0.00 -0.87 0.00 0.00 58.31 57.71 1stx n LYS 229 Cb 0.33 0.00 -0.06 0.00 0.02 0.00 0.00 35.03 35.32 1stx n LYS 229 CO 0.00 0.00 0.00 1.52 1.17 0.00 0.00 177.40 180.09 1stx s TYR 230 N 0.00 -0.48 -0.02 5.64 -0.85 -0.94 -4.76 117.35 115.94 1stx s TYR 230 Ca 0.00 0.98 0.01 0.00 -0.52 0.00 0.00 57.07 57.53 1stx s TYR 230 Cb 0.00 0.40 -0.01 0.00 0.38 0.00 0.00 41.96 42.74 1stx s TYR 230 CO 0.00 -0.35 0.02 0.09 -1.52 0.00 0.00 175.55 173.79 1stx n ASN 231 N 1.37 0.99 -3.53 -0.18 3.02 -1.26 -4.75 115.26 110.92 1stx n ASN 231 Ca -0.13 -0.41 -0.10 0.00 -0.03 0.00 0.00 54.58 53.91 1stx n ASN 231 Cb 0.57 1.01 -0.03 0.00 -0.61 0.00 0.00 39.78 40.72 1stx n ASN 231 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1stx s ASN 232 N -1.26 0.17 0.32 6.41 2.20 -1.26 -4.71 114.94 116.80 1stx s ASN 232 Ca 0.00 -1.08 0.03 0.00 -0.94 0.00 0.00 52.86 50.87 1stx s ASN 232 Cb 0.00 0.69 0.54 0.00 -2.00 0.00 0.00 41.25 40.48 1stx s ASN 232 CO 0.02 -1.34 1.84 -0.29 -2.94 0.00 0.00 177.10 174.39 1stx h ILE 233 N 2.12 1.21 -0.53 0.54 6.09 -1.98 -1.04 117.51 123.92 1stx h ILE 233 Ca -0.27 -0.89 -0.12 0.00 -1.37 0.00 0.00 64.86 62.21 1stx h ILE 233 Cb 1.25 1.01 -0.02 0.00 0.47 0.00 0.00 36.82 39.53 1stx h ILE 233 CO 0.36 0.30 -0.14 0.77 -3.07 0.00 0.00 178.15 176.37 1stx h SER 234 N 0.51 1.04 -0.26 2.19 4.64 -1.99 0.23 113.55 119.92 1stx h SER 234 Ca 0.10 -0.36 -0.07 0.00 -0.47 0.00 0.00 61.79 60.99 1stx h SER 234 Cb 0.40 -0.29 -0.02 0.00 -0.31 0.00 0.00 62.40 62.19 1stx h SER 234 CO 0.02 1.17 -0.06 -0.33 -0.87 0.00 0.00 176.83 176.76 1stx h GLU 235 N 0.91 0.63 -0.56 4.77 5.08 -1.89 -0.32 114.58 123.19 1stx h GLU 235 Ca 0.13 -0.17 -0.09 0.00 -1.00 0.00 0.00 59.36 58.24 1stx h GLU 235 Cb 0.71 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.87 1stx h GLU 235 CO 0.05 0.69 0.01 -0.92 -1.00 0.00 0.00 179.01 177.85 1stx h TYR 236 N 0.59 1.06 -0.38 4.33 3.20 -0.81 0.24 116.97 125.20 1stx h TYR 236 Ca 0.11 -0.18 -0.05 0.00 3.14 0.00 0.00 58.73 61.75 1stx h TYR 236 Cb 0.46 -0.28 -0.02 0.00 1.54 0.00 0.00 36.73 38.43 1stx h TYR 236 CO 0.02 0.96 0.00 0.00 -1.64 0.00 0.00 178.16 177.50 1stx h ARG 237 N 0.87 0.60 -0.46 1.82 3.08 0.44 0.63 114.38 121.35 1stx h ARG 237 Ca 0.16 -0.13 -0.06 0.00 0.07 0.00 0.00 59.98 60.02 1stx h ARG 237 Cb 0.52 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.47 1stx h ARG 237 CO 0.03 0.62 0.06 -0.91 -1.07 0.00 0.00 179.97 178.70 1stx h ASN 238 N 0.57 0.74 -0.54 7.04 2.35 -0.79 -0.87 115.58 124.07 1stx h ASN 238 Ca 0.12 -0.27 0.06 0.00 -0.55 0.00 0.00 56.30 55.66 1stx h ASN 238 Cb 0.36 -0.20 -0.05 0.00 0.05 0.00 0.00 38.32 38.48 1stx h ASN 238 CO 0.01 0.82 0.26 -0.25 -1.65 0.00 0.00 177.43 176.62 1stx h TRP 239 N 0.63 0.46 -0.20 1.19 7.01 -0.06 0.23 115.95 125.20 1stx h TRP 239 Ca 0.14 0.02 -0.01 0.00 2.11 0.00 0.00 58.89 61.15 1stx h TRP 239 Cb 0.40 -0.13 -0.01 0.00 -2.10 0.00 0.00 29.16 27.33 1stx h TRP 239 CO 0.03 0.20 0.09 0.82 -2.79 0.00 0.00 178.44 176.79 1stx h ILE 240 N 0.49 1.15 -0.86 2.65 1.08 -0.78 0.11 117.51 121.36 1stx h ILE 240 Ca 0.25 -0.43 0.05 0.00 -0.39 0.00 0.00 64.86 64.34 1stx h ILE 240 Cb 0.20 1.06 -0.06 0.00 -3.07 0.00 0.00 36.82 34.95 1stx h ILE 240 CO -0.20 0.14 0.54 0.22 -0.69 0.00 0.00 178.15 178.16 1stx h TYR 241 N 0.19 1.00 -0.30 1.37 3.20 0.25 -2.32 116.97 120.34 1stx h TYR 241 Ca 0.07 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.93 1stx h TYR 241 Cb 0.14 -0.32 -0.02 0.00 1.54 0.00 0.00 36.73 38.07 1stx h TYR 241 CO -0.02 0.53 0.04 2.89 -1.64 0.00 0.00 178.16 179.96 1stx n ARG 242 N -4.60 2.72 -1.02 1.82 0.00 0.66 -4.88 116.66 111.35 1stx n ARG 242 Ca 0.12 -1.51 0.00 0.00 -0.00 0.00 0.00 57.85 56.46 1stx n ARG 242 Cb 0.15 -1.83 0.00 0.00 -0.00 0.00 0.00 32.46 30.78 1stx n ARG 242 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1stx n GLY 243 N 0.22 0.99 3.57 2.89 0.00 -0.87 -4.38 105.19 107.62 1stx n GLY 243 Ca 0.15 -0.53 -0.22 0.00 0.00 0.00 0.00 46.02 45.43 1stx n GLY 243 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1stx n ARG 244 N -1.31 -3.73 0.00 1.61 1.74 0.39 -5.02 116.66 110.34 1stx n ARG 244 Ca 0.00 0.66 0.00 0.00 -0.77 0.00 0.00 57.85 57.74 1stx n ARG 244 Cb 0.23 -5.16 0.00 0.00 -1.02 0.00 0.00 32.46 26.50 1stx n ARG 244 CO 0.00 0.00 0.00 0.36 -1.52 0.00 0.00 177.63 176.47