#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1av6 s VAL 4 N 0.00 0.00 -0.17 3.34 0.11 0.21 -4.79 120.40 119.10 1av6 s VAL 4 Ca 0.00 -0.00 -0.01 0.00 -2.93 0.00 0.00 61.98 59.04 1av6 s VAL 4 Cb 0.00 -1.01 -0.00 0.00 -1.53 0.00 0.00 36.38 33.84 1av6 s VAL 4 CO 0.00 0.00 -0.13 -0.44 -3.33 0.00 0.00 175.10 171.20 1av6 s SER 5 N -2.44 3.82 0.04 3.54 0.01 -1.26 -0.87 113.70 116.54 1av6 s SER 5 Ca 0.06 -0.44 0.04 0.00 1.31 0.00 0.00 55.95 56.92 1av6 s SER 5 Cb -0.01 -1.60 -0.02 0.00 0.21 0.00 0.00 66.02 64.59 1av6 s SER 5 CO -0.08 0.07 -0.12 -0.76 0.41 0.00 0.00 173.24 172.75 1av6 s LEU 6 N 0.91 2.20 -0.04 2.44 1.43 -1.26 -5.04 118.68 119.32 1av6 s LEU 6 Ca -0.03 -0.49 -0.22 0.00 -1.03 0.00 0.00 54.13 52.36 1av6 s LEU 6 Cb -0.15 -0.49 -0.29 0.00 0.03 0.00 0.00 46.19 45.30 1av6 s LEU 6 CO -0.01 -0.03 0.94 0.44 0.23 0.00 0.00 176.35 177.92 1av6 h ASP 7 N 4.77 0.43 -4.75 2.29 5.19 -2.00 -3.48 116.42 118.88 1av6 h ASP 7 Ca -0.38 -0.90 -0.06 0.00 -0.62 0.00 0.00 57.03 55.06 1av6 h ASP 7 Cb 1.19 -0.14 -0.20 0.00 0.18 0.00 0.00 39.33 40.36 1av6 h ASP 7 CO 0.43 1.29 0.11 -0.75 -3.12 0.00 0.00 179.24 177.20 1av6 s LYS 8 N -2.63 0.95 0.76 3.56 2.20 -1.26 -5.17 119.74 118.15 1av6 s LYS 8 Ca -0.14 0.37 -0.11 0.00 -0.36 0.00 0.00 55.97 55.73 1av6 s LYS 8 Cb 0.01 0.45 0.05 0.00 -1.51 0.00 0.00 37.83 36.83 1av6 s LYS 8 CO 0.81 -0.26 1.08 -1.25 -0.36 0.00 0.00 175.35 175.38 1av6 s PRO 9 N -0.82 2.41 -0.48 4.03 0.04 -1.26 -4.95 135.00 133.96 1av6 s PRO 9 Ca -0.09 0.77 -0.28 0.00 0.04 0.00 0.00 61.00 61.45 1av6 s PRO 9 Cb -0.02 -1.94 -0.02 0.00 0.04 0.00 0.00 34.50 32.56 1av6 s PRO 9 CO 0.07 -1.43 1.77 -0.06 0.04 0.00 0.00 177.00 177.39 1av6 s PHE 10 N -3.11 1.82 -0.14 0.56 0.08 -1.26 -4.87 117.98 111.07 1av6 s PHE 10 Ca 0.60 0.70 -0.28 0.00 0.12 0.00 0.00 56.93 58.07 1av6 s PHE 10 Cb -0.14 -4.14 -0.25 0.00 -0.57 0.00 0.00 43.02 37.92 1av6 s PHE 10 CO 0.55 -2.50 0.73 0.52 -0.10 0.00 0.00 175.22 174.41 1av6 h MET 11 N 13.53 0.00 -5.87 0.44 2.86 -1.92 -3.45 114.93 120.52 1av6 h MET 11 Ca -0.29 0.00 -0.68 0.00 -2.06 0.00 0.00 59.70 56.67 1av6 h MET 11 Cb 1.16 0.00 -0.25 0.00 0.06 0.00 0.00 31.60 32.56 1av6 h MET 11 CO 1.13 0.95 -0.78 0.71 1.06 0.00 0.00 176.91 179.99 1av6 s TYR 12 N -2.19 2.73 0.22 -0.22 1.51 -1.26 -0.64 117.35 117.50 1av6 s TYR 12 Ca -0.18 -0.41 -0.02 0.00 -1.01 0.00 0.00 57.07 55.46 1av6 s TYR 12 Cb -0.03 -1.72 0.47 0.00 -0.11 0.00 0.00 41.96 40.57 1av6 s TYR 12 CO 0.66 -0.01 1.15 0.34 -1.11 0.00 0.00 175.55 176.58 1av6 n PHE 13 N 2.87 0.38 0.08 2.71 7.35 -0.58 -0.43 117.46 129.84 1av6 n PHE 13 Ca -0.18 0.89 0.21 0.00 -0.76 0.00 0.00 57.45 57.61 1av6 n PHE 13 Cb 0.52 -1.00 0.68 0.00 0.35 0.00 0.00 39.48 40.03 1av6 n PHE 13 CO 0.00 0.00 0.00 0.93 -0.76 0.00 0.00 176.76 176.93 1av6 h GLU 14 N 0.00 0.00 -0.00 -4.13 3.07 -1.96 -0.29 114.58 111.26 1av6 h GLU 14 Ca 0.41 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.27 1av6 h GLU 14 Cb 0.76 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.67 1av6 h GLU 14 CO -0.72 0.00 -0.16 0.39 -1.40 0.00 0.00 179.01 177.12 1av6 n GLU 15 N -3.48 0.37 -1.86 2.33 1.02 0.43 -4.82 120.64 114.63 1av6 n GLU 15 Ca 0.09 -0.12 -0.41 0.00 -0.02 0.00 0.00 57.16 56.70 1av6 n GLU 15 Cb 0.76 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.66 1av6 n GLU 15 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1av6 s ILE 16 N -2.71 3.28 -0.17 -3.67 1.01 -0.12 -4.87 121.20 113.95 1av6 s ILE 16 Ca 0.22 0.25 0.29 0.00 0.00 0.00 0.00 60.65 61.41 1av6 s ILE 16 Cb 0.19 -3.49 0.33 0.00 0.01 0.00 0.00 42.46 39.50 1av6 s ILE 16 CO 0.53 -0.39 1.86 -2.24 0.00 0.00 0.00 174.94 174.70 1av6 h ASP 17 N 14.94 0.00 -3.86 3.58 3.04 -1.89 -3.46 116.42 128.77 1av6 h ASP 17 Ca -0.31 0.00 -0.41 0.00 -3.24 0.00 0.00 57.03 53.07 1av6 h ASP 17 Cb 1.20 0.00 -0.14 0.00 -1.04 0.00 0.00 39.33 39.35 1av6 h ASP 17 CO 1.09 0.00 -0.62 0.21 -2.04 0.00 0.00 179.24 177.88 1av6 s ASN 18 N -5.01 1.80 0.05 4.15 2.47 -1.26 -5.17 114.94 111.98 1av6 s ASN 18 Ca 0.03 -1.35 0.01 0.00 0.42 0.00 0.00 52.86 51.97 1av6 s ASN 18 Cb 0.09 0.03 -0.03 0.00 -1.45 0.00 0.00 41.25 39.89 1av6 s ASN 18 CO 0.47 -0.64 -0.06 -1.83 -3.72 0.00 0.00 177.10 171.33 1av6 s GLU 19 N -3.94 0.58 -0.10 0.43 -1.05 -1.26 -4.49 118.70 108.87 1av6 s GLU 19 Ca 0.35 -0.98 -0.05 0.00 -0.15 0.00 0.00 54.97 54.15 1av6 s GLU 19 Cb 0.08 -0.08 0.05 0.00 -0.44 0.00 0.00 34.13 33.73 1av6 s GLU 19 CO 0.13 -0.02 0.23 -1.17 0.95 0.00 0.00 175.26 175.39 1av6 s LEU 20 N -2.23 0.39 0.14 1.83 2.96 0.32 -4.88 118.68 117.21 1av6 s LEU 20 Ca -0.02 0.50 -0.31 0.00 -0.22 0.00 0.00 54.13 54.08 1av6 s LEU 20 Cb -0.02 0.68 -0.10 0.00 0.50 0.00 0.00 46.19 47.25 1av6 s LEU 20 CO -0.03 -0.17 1.66 -0.62 -1.32 0.00 0.00 176.35 175.87 1av6 s ASP 21 N 1.34 6.53 0.15 3.68 2.15 -1.26 -4.31 116.67 124.95 1av6 s ASP 21 Ca -0.08 2.64 -0.34 0.00 0.43 0.00 0.00 52.55 55.20 1av6 s ASP 21 Cb -0.11 -2.58 -0.16 0.00 -0.30 0.00 0.00 42.92 39.78 1av6 s ASP 21 CO -0.08 -0.90 1.29 0.00 -0.17 0.00 0.00 175.17 175.31 1av6 n TYR 22 N 4.74 1.57 -3.72 -5.34 9.36 -1.26 -4.97 117.16 117.53 1av6 n TYR 22 Ca 0.15 0.60 -0.38 0.00 3.32 0.00 0.00 57.90 61.59 1av6 n TYR 22 Cb 0.39 -2.34 -0.12 0.00 -0.63 0.00 0.00 39.34 36.63 1av6 n TYR 22 CO 0.00 0.00 0.00 -1.21 0.22 0.00 0.00 176.86 175.87 1av6 s GLU 23 N 0.01 3.09 0.62 2.98 2.02 -1.26 -4.98 118.70 121.18 1av6 s GLU 23 Ca 0.77 -0.87 0.34 0.00 0.02 0.00 0.00 54.97 55.23 1av6 s GLU 23 Cb -0.84 -3.45 1.96 0.00 0.10 0.00 0.00 34.13 31.89 1av6 s GLU 23 CO 0.49 -0.48 2.22 -1.00 0.02 0.00 0.00 175.26 176.51 1av6 h PRO 24 N 8.27 0.00 0.00 0.39 0.13 -2.04 -2.08 132.00 136.67 1av6 h PRO 24 Ca -0.30 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.82 1av6 h PRO 24 Cb 1.13 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.25 1av6 h PRO 24 CO 0.61 0.00 -0.02 0.93 -0.23 0.00 0.00 178.00 179.29 1av6 h GLU 25 N 0.00 0.00 -0.74 0.86 3.07 -2.03 -2.80 114.58 112.93 1av6 h GLU 25 Ca 0.02 0.00 0.16 0.00 -0.50 0.00 0.00 59.36 59.04 1av6 h GLU 25 Cb 0.20 0.00 -0.11 0.00 -0.84 0.00 0.00 28.75 28.01 1av6 h GLU 25 CO -0.00 0.02 0.22 0.77 -1.40 0.00 0.00 179.01 178.62 1av6 h SER 26 N 0.00 0.10 0.00 1.42 0.02 -1.80 -0.32 113.55 112.96 1av6 h SER 26 Ca -0.00 0.14 0.00 0.00 -0.84 0.00 0.00 61.79 61.08 1av6 h SER 26 Cb 0.14 0.16 0.00 0.00 0.14 0.00 0.00 62.40 62.84 1av6 h SER 26 CO 0.00 0.00 0.09 0.00 -1.14 0.00 0.00 176.83 175.79 1av6 n ALA 27 N -2.61 0.91 1.28 3.77 0.00 -1.06 -0.46 120.51 122.34 1av6 n ALA 27 Ca 0.14 0.16 0.14 0.00 0.00 0.00 0.00 53.44 53.88 1av6 n ALA 27 Cb 0.45 -1.13 0.53 0.00 0.00 0.00 0.00 19.45 19.31 1av6 n ALA 27 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1av6 n ASN 28 N -2.14 0.48 -4.89 0.00 5.15 -0.13 -4.87 115.26 108.87 1av6 n ASN 28 Ca -0.01 -0.44 -0.29 0.00 -0.60 0.00 0.00 54.58 53.24 1av6 n ASN 28 Cb 0.12 -0.06 -0.01 0.00 -0.53 0.00 0.00 39.78 39.30 1av6 n ASN 28 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 1av6 s GLU 29 N -2.61 3.62 0.28 1.20 0.41 0.39 -5.03 118.70 116.97 1av6 s GLU 29 Ca 0.24 0.38 -0.29 0.00 -0.41 0.00 0.00 54.97 54.89 1av6 s GLU 29 Cb 0.19 -2.33 -0.10 0.00 -1.78 0.00 0.00 34.13 30.12 1av6 s GLU 29 CO 0.52 -0.22 1.27 0.08 -0.49 0.00 0.00 175.26 176.42 1av6 s VAL 30 N -2.71 3.00 -0.23 2.63 1.01 -1.26 -4.94 120.40 117.90 1av6 s VAL 30 Ca 0.50 0.95 0.11 0.00 0.00 0.00 0.00 61.98 63.54 1av6 s VAL 30 Cb -0.10 -3.60 -0.15 0.00 0.00 0.00 0.00 36.38 32.52 1av6 s VAL 30 CO 0.42 0.20 0.34 0.00 0.00 0.00 0.00 175.10 176.06 1av6 n ALA 31 N 1.45 2.85 -4.00 5.51 0.00 -1.26 -4.72 120.51 120.35 1av6 n ALA 31 Ca 0.02 -0.28 -0.31 0.00 0.00 0.00 0.00 53.44 52.87 1av6 n ALA 31 Cb 0.43 -0.39 -0.16 0.00 0.00 0.00 0.00 19.45 19.33 1av6 n ALA 31 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1av6 s LYS 32 N -2.46 2.03 -0.05 0.00 2.36 -1.26 -1.59 119.74 118.77 1av6 s LYS 32 Ca -0.01 -0.91 0.18 0.00 -2.55 0.00 0.00 55.97 52.68 1av6 s LYS 32 Cb 0.08 -2.48 -0.22 0.00 -1.05 0.00 0.00 37.83 34.16 1av6 s LYS 32 CO 0.46 -0.45 0.51 1.63 1.55 0.00 0.00 175.35 179.04 1av6 n LYS 33 N 4.66 0.65 -4.22 4.03 4.76 -1.26 -4.98 118.16 121.79 1av6 n LYS 33 Ca -0.14 0.09 -0.20 0.00 -2.87 0.00 0.00 58.31 55.19 1av6 n LYS 33 Cb 0.46 -1.67 -0.12 0.00 -1.84 0.00 0.00 35.03 31.86 1av6 n LYS 33 CO 0.00 0.00 0.00 -0.48 -1.37 0.00 0.00 177.40 175.55 1av6 s LEU 34 N -5.52 2.27 0.39 -0.35 0.05 -1.26 -5.13 118.68 109.13 1av6 s LEU 34 Ca -0.06 -0.62 -0.27 0.00 0.05 0.00 0.00 54.13 53.23 1av6 s LEU 34 Cb 0.09 -0.62 -0.10 0.00 -2.05 0.00 0.00 46.19 43.51 1av6 s LEU 34 CO 0.83 -0.03 1.43 -2.16 -0.55 0.00 0.00 176.35 175.87 1av6 s PRO 35 N -1.71 4.02 -1.44 1.48 0.04 -1.26 -2.86 135.00 133.27 1av6 s PRO 35 Ca 0.00 2.44 -0.09 0.00 0.04 0.00 0.00 61.00 63.40 1av6 s PRO 35 Cb -0.10 -2.88 0.03 0.00 0.04 0.00 0.00 34.50 31.59 1av6 s PRO 35 CO 0.03 -0.56 0.97 0.66 0.04 0.00 0.00 177.00 178.14 1av6 n TYR 36 N 0.30 -2.49 -0.05 0.56 4.02 -1.26 -4.71 117.16 113.53 1av6 n TYR 36 Ca 0.02 0.85 -0.10 0.00 -0.01 0.00 0.00 57.90 58.65 1av6 n TYR 36 Cb 0.41 -4.58 -0.04 0.00 -0.02 0.00 0.00 39.34 35.11 1av6 n TYR 36 CO 0.00 0.00 0.00 0.37 -1.01 0.00 0.00 176.86 176.22 1av6 h GLN 37 N -2.17 0.27 -0.57 -0.72 4.15 -1.86 -1.74 115.11 112.46 1av6 h GLN 37 Ca -0.56 -0.03 0.05 0.00 0.77 0.00 0.00 58.65 58.88 1av6 h GLN 37 Cb 1.37 -0.05 -0.05 0.00 0.21 0.00 0.00 27.48 28.95 1av6 h GLN 37 CO 0.59 0.26 0.30 0.78 -1.93 0.00 0.00 178.83 178.83 1av6 h GLY 38 N 0.21 0.82 1.02 2.39 0.00 -1.89 0.16 103.07 105.78 1av6 h GLY 38 Ca 0.07 -0.21 0.02 0.00 0.00 0.00 0.00 47.33 47.21 1av6 h GLY 38 CO -0.01 0.13 0.63 1.46 0.00 0.00 0.00 176.54 178.75 1av6 h GLN 39 N 0.58 1.23 -0.08 4.80 1.08 -1.88 -0.29 115.11 120.55 1av6 h GLN 39 Ca 0.25 -0.07 -0.02 0.00 -1.45 0.00 0.00 58.65 57.36 1av6 h GLN 39 Cb 0.15 -0.28 -0.00 0.00 -0.05 0.00 0.00 27.48 27.30 1av6 h GLN 39 CO -0.17 0.81 -0.02 1.25 -0.95 0.00 0.00 178.83 179.75 1av6 h LEU 40 N 1.26 0.16 -1.04 1.46 5.85 -0.59 -2.18 115.31 120.23 1av6 h LEU 40 Ca 0.36 -0.37 0.11 0.00 0.84 0.00 0.00 57.88 58.82 1av6 h LEU 40 Cb -0.10 -0.04 -0.08 0.00 0.37 0.00 0.00 40.66 40.81 1av6 h LEU 40 CO -0.09 0.49 0.63 0.50 -0.34 0.00 0.00 178.44 179.63 1av6 h LYS 41 N -0.17 0.98 -0.29 1.25 3.64 -0.22 -1.99 116.57 119.77 1av6 h LYS 41 Ca 0.02 -0.06 -0.16 0.00 -1.27 0.00 0.00 60.65 59.18 1av6 h LYS 41 Cb 0.42 -0.22 -0.00 0.00 -0.41 0.00 0.00 32.23 32.02 1av6 h LYS 41 CO 0.01 0.65 -0.45 -0.07 -2.27 0.00 0.00 179.45 177.32 1av6 h LEU 42 N 1.01 0.90 0.22 5.20 3.38 -1.02 -3.05 115.31 121.94 1av6 h LEU 42 Ca 0.47 -0.51 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 1av6 h LEU 42 Cb 0.43 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 1av6 h LEU 42 CO -0.23 1.24 -0.14 0.25 0.09 0.00 0.00 178.44 179.64 1av6 h LEU 43 N 0.58 -0.37 -0.83 1.67 5.85 -0.71 -1.74 115.31 119.77 1av6 h LEU 43 Ca 0.03 0.03 0.05 0.00 0.84 0.00 0.00 57.88 58.82 1av6 h LEU 43 Cb 1.05 0.11 -0.06 0.00 0.37 0.00 0.00 40.66 42.14 1av6 h LEU 43 CO 0.10 -0.23 0.52 -0.07 -0.34 0.00 0.00 178.44 178.42 1av6 h LEU 44 N -0.36 0.83 -0.32 2.25 3.38 -1.47 0.32 115.31 119.95 1av6 h LEU 44 Ca -0.02 0.01 -0.12 0.00 0.09 0.00 0.00 57.88 57.84 1av6 h LEU 44 Cb 0.31 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 1av6 h LEU 44 CO 0.01 0.55 -0.26 1.23 0.09 0.00 0.00 178.44 180.06 1av6 h GLY 45 N 0.97 0.80 0.85 0.83 0.00 -1.44 -1.71 103.07 103.37 1av6 h GLY 45 Ca 0.35 -0.79 -0.07 0.00 0.00 0.00 0.00 47.33 46.82 1av6 h GLY 45 CO -0.15 0.71 -0.13 0.83 0.00 0.00 0.00 176.54 177.80 1av6 h GLU 46 N 0.50 0.51 -0.18 4.80 5.08 -0.92 -0.66 114.58 123.70 1av6 h GLU 46 Ca 0.06 -0.23 0.04 0.00 -1.00 0.00 0.00 59.36 58.23 1av6 h GLU 46 Cb 0.82 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 30.02 1av6 h GLU 46 CO 0.07 0.78 -0.09 -0.07 -1.00 0.00 0.00 179.01 178.70 1av6 h LEU 47 N 0.22 -0.29 0.43 1.33 3.38 -0.39 0.75 115.31 120.74 1av6 h LEU 47 Ca 0.05 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 1av6 h LEU 47 Cb 0.64 0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.53 1av6 h LEU 47 CO 0.04 -0.12 -0.44 0.15 0.09 0.00 0.00 178.44 178.16 1av6 h PHE 48 N -0.07 -1.19 -0.36 1.13 3.57 -1.24 -0.29 116.94 118.48 1av6 h PHE 48 Ca 0.10 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.63 1av6 h PHE 48 Cb 0.22 0.47 -0.03 0.00 2.79 0.00 0.00 35.95 39.40 1av6 h PHE 48 CO -0.24 -0.59 0.20 0.35 -2.23 0.00 0.00 178.31 175.79 1av6 h PHE 49 N -0.88 0.37 0.00 0.41 3.57 -0.95 -2.03 116.94 117.42 1av6 h PHE 49 Ca -0.04 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.47 1av6 h PHE 49 Cb 0.78 -0.11 -0.00 0.00 2.79 0.00 0.00 35.95 39.41 1av6 h PHE 49 CO -0.23 0.21 -0.02 -0.07 -2.23 0.00 0.00 178.31 175.96 1av6 h LEU 50 N 0.40 0.00 0.00 0.59 4.07 -0.75 -1.03 115.31 118.59 1av6 h LEU 50 Ca 0.15 0.00 -0.24 0.00 0.08 0.00 0.00 57.88 57.86 1av6 h LEU 50 Cb 0.03 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 41.73 1av6 h LEU 50 CO -0.08 0.02 -1.30 0.28 -1.08 0.00 0.00 178.44 176.28 1av6 h SER 51 N 0.00 0.00 -0.14 -0.43 0.02 -0.37 -1.49 113.55 111.14 1av6 h SER 51 Ca -0.00 -0.01 -0.08 0.00 -0.84 0.00 0.00 61.79 60.86 1av6 h SER 51 Cb 0.21 -0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.73 1av6 h SER 51 CO 0.00 1.01 -0.15 0.11 -1.14 0.00 0.00 176.83 176.66 1av6 h LYS 52 N 0.00 0.53 -0.10 3.45 1.79 -0.61 0.28 116.57 121.92 1av6 h LYS 52 Ca -0.13 -0.16 -0.03 0.00 -2.18 0.00 0.00 60.65 58.15 1av6 h LYS 52 Cb 1.87 -0.05 -0.00 0.00 -1.58 0.00 0.00 32.23 32.47 1av6 h LYS 52 CO 0.11 0.67 -0.05 -0.07 -1.08 0.00 0.00 179.45 179.02 1av6 h LEU 53 N 0.48 0.21 -0.17 2.94 4.07 -1.32 -1.83 115.31 119.69 1av6 h LEU 53 Ca 0.08 -0.43 0.03 0.00 0.08 0.00 0.00 57.88 57.65 1av6 h LEU 53 Cb 0.55 -0.06 -0.03 0.00 1.08 0.00 0.00 40.66 42.20 1av6 h LEU 53 CO 0.03 0.59 -0.02 -0.61 -1.08 0.00 0.00 178.44 177.36 1av6 h GLN 54 N -0.17 0.03 -0.85 1.13 4.15 -0.77 -0.64 115.11 117.99 1av6 h GLN 54 Ca 0.02 -0.00 0.20 0.00 0.77 0.00 0.00 58.65 59.64 1av6 h GLN 54 Cb 0.51 -0.01 -0.06 0.00 0.21 0.00 0.00 27.48 28.14 1av6 h GLN 54 CO 0.02 0.02 0.58 -0.09 -1.93 0.00 0.00 178.83 177.42 1av6 h ARG 55 N 0.03 0.29 -0.00 1.69 2.43 -0.31 0.30 114.38 118.81 1av6 h ARG 55 Ca 0.08 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 1av6 h ARG 55 Cb 0.11 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.59 1av6 h ARG 55 CO -0.15 0.19 -0.49 0.72 -1.51 0.00 0.00 179.97 178.74 1av6 n HIS 56 N -4.45 0.00 -2.36 2.20 8.25 -0.70 -4.96 115.22 113.20 1av6 n HIS 56 Ca 0.18 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.61 1av6 n HIS 56 Cb 0.72 -0.17 0.00 0.00 1.12 0.00 0.00 29.99 31.66 1av6 n HIS 56 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1av6 n GLY 57 N 1.45 0.57 0.06 -1.41 0.00 0.11 -4.96 105.19 101.01 1av6 n GLY 57 Ca 0.07 -0.68 0.05 0.00 0.00 0.00 0.00 46.02 45.46 1av6 n GLY 57 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1av6 n ILE 58 N -3.31 0.00 0.05 -0.61 5.41 -0.39 -4.68 119.36 115.83 1av6 n ILE 58 Ca -0.01 -0.30 -0.16 0.00 1.00 0.00 0.00 62.75 63.27 1av6 n ILE 58 Cb 0.51 1.03 -0.14 0.00 -0.71 0.00 0.00 39.64 40.33 1av6 n ILE 58 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 176.55 176.80 1av6 h LEU 59 N 0.29 0.34 -9.47 1.39 5.85 -1.85 -3.42 115.31 108.45 1av6 h LEU 59 Ca 0.00 -0.52 -0.54 0.00 0.84 0.00 0.00 57.88 57.67 1av6 h LEU 59 Cb 0.26 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.18 1av6 h LEU 59 CO 0.00 1.44 0.57 -0.62 -0.34 0.00 0.00 178.44 179.48 1av6 s ASP 60 N -6.89 7.08 0.00 1.25 -1.08 -1.26 -2.73 116.67 113.04 1av6 s ASP 60 Ca -0.10 1.99 0.00 0.00 -0.52 0.00 0.00 52.55 53.92 1av6 s ASP 60 Cb 0.07 -2.58 0.00 0.00 -1.46 0.00 0.00 42.92 38.95 1av6 s ASP 60 CO 0.84 -0.48 0.00 0.61 0.52 0.00 0.00 175.17 176.66 1av6 n GLY 61 N 3.23 1.12 3.89 2.66 0.00 0.36 -4.96 105.19 111.49 1av6 n GLY 61 Ca 0.09 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.82 1av6 n GLY 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1av6 s ALA 62 N -3.49 3.31 -0.26 4.61 0.00 -1.11 -4.47 121.76 120.35 1av6 s ALA 62 Ca 0.00 -0.36 -0.02 0.00 0.00 0.00 0.00 51.96 51.58 1av6 s ALA 62 Cb 0.00 -2.75 0.03 0.00 0.00 0.00 0.00 23.12 20.40 1av6 s ALA 62 CO 0.00 -0.43 -0.04 0.99 0.00 0.00 0.00 175.76 176.28 1av6 s THR 63 N -2.85 3.01 -0.38 0.00 2.01 0.09 -2.07 115.64 115.46 1av6 s THR 63 Ca 0.50 -1.03 -0.25 0.00 0.31 0.00 0.00 61.69 61.22 1av6 s THR 63 Cb -0.10 -2.56 0.02 0.00 0.01 0.00 0.00 72.50 69.86 1av6 s THR 63 CO 0.47 0.15 0.89 -0.69 -0.69 0.00 0.00 174.62 174.75 1av6 s VAL 64 N 1.34 4.60 -0.41 3.82 1.01 0.14 -1.43 120.40 129.47 1av6 s VAL 64 Ca -0.00 1.04 -0.14 0.00 0.00 0.00 0.00 61.98 62.88 1av6 s VAL 64 Cb -0.17 -4.32 0.03 0.00 0.00 0.00 0.00 36.38 31.92 1av6 s VAL 64 CO -0.03 -0.56 0.29 -0.69 0.00 0.00 0.00 175.10 174.11 1av6 s VAL 65 N 3.43 5.06 -0.41 2.92 1.01 -0.34 -1.36 120.40 130.71 1av6 s VAL 65 Ca 0.36 -0.80 -0.08 0.00 0.00 0.00 0.00 61.98 61.46 1av6 s VAL 65 Cb -0.12 -3.87 0.08 0.00 0.00 0.00 0.00 36.38 32.47 1av6 s VAL 65 CO 0.20 -0.35 0.24 -0.47 0.00 0.00 0.00 175.10 174.72 1av6 s TYR 66 N 1.63 3.35 -0.06 5.22 6.14 -0.45 -1.47 117.35 131.72 1av6 s TYR 66 Ca 0.04 -1.61 -0.14 0.00 0.64 0.00 0.00 57.07 56.00 1av6 s TYR 66 Cb -0.20 -2.93 -0.05 0.00 0.42 0.00 0.00 41.96 39.20 1av6 s TYR 66 CO 0.08 -0.85 0.37 0.42 0.64 0.00 0.00 175.55 176.21 1av6 s ILE 67 N 1.40 5.15 -0.38 3.14 1.01 -0.51 -1.35 121.20 129.65 1av6 s ILE 67 Ca 0.03 0.74 -0.01 0.00 0.00 0.00 0.00 60.65 61.41 1av6 s ILE 67 Cb -0.23 -3.68 -0.01 0.00 0.01 0.00 0.00 42.46 38.55 1av6 s ILE 67 CO 0.01 0.52 0.32 0.61 0.00 0.00 0.00 174.94 176.40 1av6 n GLY 68 N 2.30 0.19 0.88 6.18 0.00 0.87 -2.62 105.19 113.00 1av6 n GLY 68 Ca -0.13 -0.18 0.09 0.00 0.00 0.00 0.00 46.02 45.81 1av6 n GLY 68 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1av6 n SER 69 N -1.85 2.95 -4.87 1.61 3.41 -1.22 -4.34 113.62 109.31 1av6 n SER 69 Ca -0.07 -1.87 -0.36 0.00 -0.26 0.00 0.00 58.87 56.32 1av6 n SER 69 Cb 0.55 -0.15 -0.06 0.00 -0.26 0.00 0.00 64.21 64.30 1av6 n SER 69 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1av6 s ALA 70 N -1.36 3.81 -0.34 7.33 0.00 -1.26 -1.65 121.76 128.28 1av6 s ALA 70 Ca 0.29 -0.50 0.27 0.00 0.00 0.00 0.00 51.96 52.02 1av6 s ALA 70 Cb 0.18 -2.14 0.89 0.00 0.00 0.00 0.00 23.12 22.05 1av6 s ALA 70 CO 0.25 0.60 1.78 -1.00 0.00 0.00 0.00 175.76 177.39 1av6 h PRO 71 N 4.24 0.00 -1.91 0.00 0.13 -1.92 -3.50 132.00 129.05 1av6 h PRO 71 Ca -0.51 0.00 -0.40 0.00 -0.87 0.00 0.00 66.00 64.22 1av6 h PRO 71 Cb 1.21 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.25 1av6 h PRO 71 CO 0.64 0.00 -0.44 0.41 -0.23 0.00 0.00 178.00 178.38 1av6 n GLY 72 N 0.58 0.68 0.33 1.56 0.00 -0.66 -0.60 105.19 107.08 1av6 n GLY 72 Ca 0.03 -0.06 0.20 0.00 0.00 0.00 0.00 46.02 46.19 1av6 n GLY 72 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1av6 h THR 73 N 0.00 0.38 0.00 2.61 2.02 -1.94 0.43 112.91 116.41 1av6 h THR 73 Ca -0.44 -0.13 -0.02 0.00 0.77 0.00 0.00 66.41 66.59 1av6 h THR 73 Cb 1.32 -0.04 -0.00 0.00 -1.74 0.00 0.00 68.15 67.68 1av6 h THR 73 CO 0.57 0.07 -0.09 1.12 0.37 0.00 0.00 175.52 177.56 1av6 h HIS 74 N 0.39 0.00 -0.22 3.16 2.07 -1.90 -3.18 115.15 115.46 1av6 h HIS 74 Ca 0.68 0.00 -0.07 0.00 -2.85 0.00 0.00 60.37 58.13 1av6 h HIS 74 Cb 1.44 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.40 1av6 h HIS 74 CO -0.05 0.09 -0.16 0.82 -3.07 0.00 0.00 177.93 175.56 1av6 h ILE 75 N 0.00 1.22 -0.77 6.12 2.04 -0.50 -2.62 117.51 123.00 1av6 h ILE 75 Ca -0.00 -1.00 -0.00 0.00 1.00 0.00 0.00 64.86 64.86 1av6 h ILE 75 Cb 0.59 1.23 -0.04 0.00 -0.74 0.00 0.00 36.82 37.87 1av6 h ILE 75 CO 0.01 0.32 0.46 -0.09 0.00 0.00 0.00 178.15 178.85 1av6 h ARG 76 N 0.35 1.04 -0.40 2.37 9.65 -1.65 0.15 114.38 125.89 1av6 h ARG 76 Ca 0.06 -0.09 -0.03 0.00 -1.10 0.00 0.00 59.98 58.82 1av6 h ARG 76 Cb 0.49 -0.22 -0.02 0.00 -1.39 0.00 0.00 29.97 28.83 1av6 h ARG 76 CO 0.03 0.73 0.12 -0.92 2.80 0.00 0.00 179.97 182.73 1av6 h TYR 77 N 1.06 0.64 -0.89 2.20 5.03 -1.66 -0.60 116.97 122.75 1av6 h TYR 77 Ca 0.28 -0.07 0.01 0.00 2.58 0.00 0.00 58.73 61.53 1av6 h TYR 77 Cb -0.04 -0.18 -0.05 0.00 1.55 0.00 0.00 36.73 38.01 1av6 h TYR 77 CO 0.00 0.60 0.59 -0.07 -1.32 0.00 0.00 178.16 177.96 1av6 h LEU 78 N 0.49 1.01 -0.14 2.82 3.38 -1.11 -0.54 115.31 121.23 1av6 h LEU 78 Ca 0.13 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 1av6 h LEU 78 Cb 0.26 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 1av6 h LEU 78 CO -0.00 0.73 0.04 -0.09 0.09 0.00 0.00 178.44 179.21 1av6 h ARG 79 N 1.20 0.21 -0.52 1.13 1.12 -0.44 -2.86 114.38 114.22 1av6 h ARG 79 Ca 0.33 -0.04 -0.06 0.00 -1.11 0.00 0.00 59.98 59.10 1av6 h ARG 79 Cb -0.12 -0.03 -0.02 0.00 -0.01 0.00 0.00 29.97 29.78 1av6 h ARG 79 CO -0.08 0.34 0.08 -0.44 -3.11 0.00 0.00 179.97 176.76 1av6 h ASP 80 N 0.04 0.77 0.17 -3.80 3.32 -0.93 -1.98 116.42 114.01 1av6 h ASP 80 Ca 0.04 -0.16 -0.01 0.00 0.02 0.00 0.00 57.03 56.93 1av6 h ASP 80 Cb 0.21 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 39.56 1av6 h ASP 80 CO -0.00 0.79 -0.14 -0.74 -1.72 0.00 0.00 179.24 177.42 1av6 h HIS 81 N 0.78 -0.39 0.00 4.55 2.76 -0.99 0.71 115.15 122.57 1av6 h HIS 81 Ca 0.16 0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 58.30 1av6 h HIS 81 Cb 0.35 0.15 -0.00 0.00 1.55 0.00 0.00 27.41 29.46 1av6 h HIS 81 CO 0.02 -0.20 -0.16 0.74 -1.30 0.00 0.00 177.93 177.03 1av6 h PHE 82 N -0.30 0.00 -0.08 5.26 0.04 -1.57 -1.22 116.94 119.07 1av6 h PHE 82 Ca -0.02 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.74 1av6 h PHE 82 Cb 0.25 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.40 1av6 h PHE 82 CO -0.07 0.16 0.03 -0.92 -0.60 0.00 0.00 178.31 176.92 1av6 h TYR 83 N 0.00 0.12 0.00 -0.55 3.20 -1.19 -1.23 116.97 117.33 1av6 h TYR 83 Ca -0.00 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.83 1av6 h TYR 83 Cb 0.33 -0.04 -0.00 0.00 1.54 0.00 0.00 36.73 38.56 1av6 h TYR 83 CO 0.00 0.23 -0.15 -0.91 -1.64 0.00 0.00 178.16 175.70 1av6 h ASN 84 N -0.02 0.00 1.20 -2.11 4.21 -0.48 -2.56 115.58 115.81 1av6 h ASN 84 Ca 0.03 0.00 -0.05 0.00 1.21 0.00 0.00 56.30 57.49 1av6 h ASN 84 Cb 0.16 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.35 1av6 h ASN 84 CO -0.00 0.15 -0.25 -0.07 -1.29 0.00 0.00 177.43 175.97 1av6 h LEU 85 N 0.00 0.00 0.00 1.61 -0.00 -0.84 -3.45 115.31 112.62 1av6 h LEU 85 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 1av6 h LEU 85 Cb 0.63 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.29 1av6 h LEU 85 CO 0.02 0.25 0.00 0.61 -0.00 0.00 0.00 178.44 179.32 1av6 n GLY 86 N 0.52 0.68 3.77 0.83 0.00 -0.91 -4.96 105.19 105.11 1av6 n GLY 86 Ca 0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.64 1av6 n GLY 86 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1av6 s VAL 87 N -2.00 3.08 -0.28 1.61 1.01 -0.51 -5.00 120.40 118.31 1av6 s VAL 87 Ca 0.00 1.00 -0.12 0.00 0.00 0.00 0.00 61.98 62.86 1av6 s VAL 87 Cb 0.00 -3.61 -0.05 0.00 0.00 0.00 0.00 36.38 32.73 1av6 s VAL 87 CO 0.00 0.18 0.25 -0.63 0.00 0.00 0.00 175.10 174.89 1av6 s ILE 88 N -1.27 5.27 0.02 2.22 1.09 -1.26 -4.39 121.20 122.88 1av6 s ILE 88 Ca 0.52 0.29 -0.02 0.00 -1.10 0.00 0.00 60.65 60.34 1av6 s ILE 88 Cb -0.34 -3.58 -0.02 0.00 -1.06 0.00 0.00 42.46 37.46 1av6 s ILE 88 CO 0.44 0.22 0.01 -0.63 -0.10 0.00 0.00 174.94 174.88 1av6 s ILE 89 N 1.85 0.12 -0.14 2.92 1.01 -1.26 -0.49 121.20 125.21 1av6 s ILE 89 Ca 0.09 -0.97 0.01 0.00 0.00 0.00 0.00 60.65 59.78 1av6 s ILE 89 Cb -0.16 -0.46 0.02 0.00 0.01 0.00 0.00 42.46 41.87 1av6 s ILE 89 CO 0.11 -0.54 -0.15 -0.54 0.00 0.00 0.00 174.94 173.82 1av6 s LYS 90 N -1.78 2.37 -0.15 2.79 3.01 -0.88 -4.96 119.74 120.14 1av6 s LYS 90 Ca -0.13 -0.59 -0.07 0.00 -1.01 0.00 0.00 55.97 54.17 1av6 s LYS 90 Cb -0.07 -2.11 -0.04 0.00 -1.01 0.00 0.00 37.83 34.60 1av6 s LYS 90 CO -0.02 -0.18 0.08 -1.58 0.51 0.00 0.00 175.35 174.16 1av6 s TRP 91 N 1.33 3.35 -0.23 3.18 0.52 -0.22 0.29 118.94 127.15 1av6 s TRP 91 Ca 0.02 0.25 -0.01 0.00 0.02 0.00 0.00 56.10 56.38 1av6 s TRP 91 Cb -0.13 -2.00 0.07 0.00 -1.15 0.00 0.00 33.47 30.25 1av6 s TRP 91 CO -0.08 0.39 0.00 1.41 0.02 0.00 0.00 176.95 178.68 1av6 s MET 92 N -0.23 1.11 -0.34 4.98 1.75 -0.47 0.20 119.30 126.30 1av6 s MET 92 Ca 0.09 -0.78 -0.11 0.00 -1.25 0.00 0.00 55.69 53.63 1av6 s MET 92 Cb -0.12 -2.34 -0.00 0.00 2.84 0.00 0.00 34.83 35.21 1av6 s MET 92 CO 0.01 -0.67 0.21 -0.51 -0.65 0.00 0.00 175.02 173.41 1av6 s LEU 93 N 1.60 4.44 -0.11 4.11 1.43 0.52 -1.34 118.68 129.34 1av6 s LEU 93 Ca -0.02 -0.59 0.02 0.00 -1.03 0.00 0.00 54.13 52.51 1av6 s LEU 93 Cb -0.18 -2.07 -0.01 0.00 0.03 0.00 0.00 46.19 43.96 1av6 s LEU 93 CO -0.09 -0.26 -0.18 -0.63 0.23 0.00 0.00 176.35 175.42 1av6 s ILE 94 N 1.65 2.59 -0.23 -0.59 1.01 -0.46 -0.30 121.20 124.88 1av6 s ILE 94 Ca 0.05 -0.83 -0.29 0.00 0.00 0.00 0.00 60.65 59.58 1av6 s ILE 94 Cb -0.18 -2.04 0.16 0.00 0.01 0.00 0.00 42.46 40.41 1av6 s ILE 94 CO 0.08 0.54 1.17 -0.62 0.00 0.00 0.00 174.94 176.11 1av6 s ASP 95 N 0.29 -0.23 0.35 3.58 -1.08 -0.82 -0.09 116.67 118.67 1av6 s ASP 95 Ca -0.13 0.29 0.25 0.00 -0.52 0.00 0.00 52.55 52.44 1av6 s ASP 95 Cb -0.17 0.24 0.65 0.00 -1.46 0.00 0.00 42.92 42.19 1av6 s ASP 95 CO 0.07 -0.19 1.71 1.23 0.52 0.00 0.00 175.17 178.51 1av6 h GLY 96 N 2.59 0.00 -3.42 2.66 0.00 -1.80 -1.51 103.07 101.58 1av6 h GLY 96 Ca -0.16 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.64 1av6 h GLY 96 CO 0.25 0.00 -0.15 1.09 0.00 0.00 0.00 176.54 177.73 1av6 s ARG 97 N -3.21 3.68 0.18 4.80 3.03 -1.26 -4.68 118.95 121.49 1av6 s ARG 97 Ca 0.08 0.08 -0.31 0.00 2.03 0.00 0.00 55.73 57.61 1av6 s ARG 97 Cb 0.08 -2.67 -0.10 0.00 -1.03 0.00 0.00 34.95 31.24 1av6 s ARG 97 CO 0.61 0.27 1.48 -1.58 -1.13 0.00 0.00 175.30 174.95 1av6 s HIS 98 N -1.96 3.09 0.46 5.89 5.65 -1.26 -4.71 115.29 122.46 1av6 s HIS 98 Ca 0.45 0.85 -0.16 0.00 0.25 0.00 0.00 55.06 56.45 1av6 s HIS 98 Cb -0.11 -3.83 -0.08 0.00 -1.18 0.00 0.00 32.58 27.38 1av6 s HIS 98 CO 0.27 -2.90 0.91 -1.01 -0.65 0.00 0.00 174.74 171.35 1av6 s HIS 99 N 0.71 3.43 0.21 3.88 3.76 -1.26 -4.33 115.29 121.69 1av6 s HIS 99 Ca 0.65 1.37 -0.32 0.00 -0.15 0.00 0.00 55.06 56.60 1av6 s HIS 99 Cb -0.41 -2.70 -0.13 0.00 1.11 0.00 0.00 32.58 30.45 1av6 s HIS 99 CO 0.35 -0.24 1.65 -3.47 -0.85 0.00 0.00 174.74 172.18 1av6 n ASP 100 N -1.31 3.67 -0.11 1.40 -0.08 0.23 -4.87 116.55 115.48 1av6 n ASP 100 Ca 0.05 1.08 0.27 0.00 -1.51 0.00 0.00 54.79 54.68 1av6 n ASP 100 Cb 0.54 -1.53 0.66 0.00 2.34 0.00 0.00 41.12 43.13 1av6 n ASP 100 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1av6 h PRO 101 N 6.17 0.00 0.00 -0.67 0.11 -1.94 -1.39 132.00 134.29 1av6 h PRO 101 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1av6 h PRO 101 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1av6 h PRO 101 CO 0.91 0.00 0.00 0.44 -0.21 0.00 0.00 178.00 179.14 1av6 n ILE 102 N -3.67 0.00 0.86 4.15 -5.35 -1.26 -2.06 119.36 112.03 1av6 n ILE 102 Ca 0.17 0.00 0.09 0.00 -0.27 0.00 0.00 62.75 62.75 1av6 n ILE 102 Cb 1.07 -0.73 -0.01 0.00 -1.74 0.00 0.00 39.64 38.23 1av6 n ILE 102 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 1av6 n LEU 103 N -0.94 1.80 -4.76 7.28 4.77 -0.52 -4.96 117.00 119.67 1av6 n LEU 103 Ca 0.09 -0.75 -0.40 0.00 -0.03 0.00 0.00 56.01 54.92 1av6 n LEU 103 Cb 0.04 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.09 1av6 n LEU 103 CO 0.07 0.34 0.78 0.20 -1.33 0.00 0.00 177.39 177.44 1av6 s ASN 104 N -2.22 7.22 0.00 -1.43 -0.87 -0.88 -3.59 114.94 113.18 1av6 s ASN 104 Ca 0.16 2.22 0.00 0.00 -1.57 0.00 0.00 52.86 53.67 1av6 s ASN 104 Cb 0.16 -2.62 0.00 0.00 -0.02 0.00 0.00 41.25 38.76 1av6 s ASN 104 CO 0.50 -0.17 0.00 0.61 -2.57 0.00 0.00 177.10 175.47 1av6 n GLY 105 N 1.10 0.39 3.62 0.66 0.00 -1.26 -4.95 105.19 104.74 1av6 n GLY 105 Ca -0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1av6 n GLY 105 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1av6 s LEU 106 N 0.00 3.75 0.45 0.99 1.43 -1.24 -4.88 118.68 119.18 1av6 s LEU 106 Ca 0.00 1.07 0.29 0.00 -1.03 0.00 0.00 54.13 54.45 1av6 s LEU 106 Cb 0.00 -3.54 1.36 0.00 0.03 0.00 0.00 46.19 44.04 1av6 s LEU 106 CO 0.00 -1.25 1.70 -0.09 0.23 0.00 0.00 176.35 176.93 1av6 h ARG 107 N 10.02 0.16 -0.48 1.70 2.43 -1.93 -2.06 114.38 124.22 1av6 h ARG 107 Ca -0.27 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.89 1av6 h ARG 107 Cb 1.10 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.62 1av6 h ARG 107 CO 1.05 0.11 0.00 -0.40 -1.51 0.00 0.00 179.97 179.22 1av6 n ASP 108 N -4.53 3.52 -4.23 -3.80 5.75 -1.26 -4.92 116.55 107.07 1av6 n ASP 108 Ca 0.32 -1.97 -0.29 0.00 -0.01 0.00 0.00 54.79 52.84 1av6 n ASP 108 Cb 1.27 -0.32 -0.16 0.00 -1.03 0.00 0.00 41.12 40.88 1av6 n ASP 108 CO 0.00 0.00 0.00 0.68 -0.11 0.00 0.00 177.20 177.77 1av6 s VAL 109 N -1.26 1.81 -0.30 2.12 -7.23 -0.78 -1.06 120.40 113.70 1av6 s VAL 109 Ca 0.40 -0.95 -0.04 0.00 -1.81 0.00 0.00 61.98 59.58 1av6 s VAL 109 Cb 0.22 -1.52 0.04 0.00 0.56 0.00 0.00 36.38 35.68 1av6 s VAL 109 CO 0.30 0.51 0.03 -0.89 -0.31 0.00 0.00 175.10 174.74 1av6 s THR 110 N -0.28 3.33 -0.20 5.32 2.01 0.13 -4.68 115.64 121.27 1av6 s THR 110 Ca 0.02 -1.15 -0.22 0.00 0.31 0.00 0.00 61.69 60.65 1av6 s THR 110 Cb -0.11 -2.84 -0.02 0.00 0.01 0.00 0.00 72.50 69.54 1av6 s THR 110 CO 0.01 -0.05 0.66 -0.76 -0.69 0.00 0.00 174.62 173.80 1av6 s LEU 111 N 1.34 4.14 -0.18 4.42 1.43 -1.26 -0.35 118.68 128.22 1av6 s LEU 111 Ca -0.02 0.88 0.00 0.00 -1.03 0.00 0.00 54.13 53.96 1av6 s LEU 111 Cb -0.19 -2.95 0.04 0.00 0.03 0.00 0.00 46.19 43.12 1av6 s LEU 111 CO -0.00 -0.30 -0.09 -0.69 0.23 0.00 0.00 176.35 175.49 1av6 s VAL 112 N 1.99 1.46 -0.53 -1.59 1.01 0.59 -4.98 120.40 118.36 1av6 s VAL 112 Ca 0.30 -0.82 -0.23 0.00 0.00 0.00 0.00 61.98 61.23 1av6 s VAL 112 Cb -0.16 -1.54 0.04 0.00 0.00 0.00 0.00 36.38 34.73 1av6 s VAL 112 CO 0.10 0.21 0.87 -0.89 0.00 0.00 0.00 175.10 175.39 1av6 s THR 113 N 1.49 4.50 0.00 3.92 2.01 -1.26 -1.94 115.64 124.37 1av6 s THR 113 Ca 0.00 0.14 0.00 0.00 0.31 0.00 0.00 61.69 62.15 1av6 s THR 113 Cb -0.15 -4.47 0.00 0.00 0.01 0.00 0.00 72.50 67.88 1av6 s THR 113 CO -0.08 -1.02 0.00 -1.14 -0.69 0.00 0.00 174.62 171.68 1av6 n ARG 114 N 7.15 0.00 -3.13 4.92 0.63 -0.57 -4.89 116.66 120.78 1av6 n ARG 114 Ca 0.00 0.00 -0.40 0.00 -0.92 0.00 0.00 57.85 56.53 1av6 n ARG 114 Cb 0.47 0.00 -0.06 0.00 0.45 0.00 0.00 32.46 33.32 1av6 n ARG 114 CO 0.00 0.00 0.00 -0.06 -2.51 0.00 0.00 177.63 175.06 1av6 s PHE 115 N -1.39 3.40 0.47 -0.14 0.08 -1.26 -2.84 117.98 116.29 1av6 s PHE 115 Ca 0.00 0.94 -0.23 0.00 0.12 0.00 0.00 56.93 57.76 1av6 s PHE 115 Cb 0.00 -2.78 -0.07 0.00 -0.57 0.00 0.00 43.02 39.60 1av6 s PHE 115 CO 0.00 -0.13 1.23 0.08 -0.10 0.00 0.00 175.22 176.29 1av6 s VAL 116 N 1.74 2.82 0.29 -0.44 1.01 -1.26 -5.01 120.40 119.56 1av6 s VAL 116 Ca 0.29 0.63 -0.09 0.00 0.00 0.00 0.00 61.98 62.81 1av6 s VAL 116 Cb -0.16 -3.33 0.00 0.00 0.00 0.00 0.00 36.38 32.90 1av6 s VAL 116 CO 0.11 0.01 0.49 1.51 0.00 0.00 0.00 175.10 177.22 1av6 s ASP 117 N -1.18 0.30 0.17 3.32 -4.77 -1.26 -5.04 116.67 108.21 1av6 s ASP 117 Ca 0.64 -1.18 -0.23 0.00 -3.30 0.00 0.00 52.55 48.48 1av6 s ASP 117 Cb -0.32 0.63 0.07 0.00 -1.09 0.00 0.00 42.92 42.21 1av6 s ASP 117 CO 0.40 -1.24 1.58 -0.33 0.70 0.00 0.00 175.17 176.28 1av6 h GLU 118 N 2.19 -0.22 -0.70 2.11 5.08 -1.98 -2.10 114.58 118.96 1av6 h GLU 118 Ca -0.28 0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.10 1av6 h GLU 118 Cb 1.25 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 30.51 1av6 h GLU 118 CO 0.38 -0.15 0.46 1.49 -1.00 0.00 0.00 179.01 180.19 1av6 h GLU 119 N -0.23 0.92 0.00 2.33 4.22 -2.00 -1.74 114.58 118.09 1av6 h GLU 119 Ca 0.19 -0.06 0.00 0.00 0.08 0.00 0.00 59.36 59.57 1av6 h GLU 119 Cb 0.56 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.60 1av6 h GLU 119 CO -0.62 0.61 0.00 -0.92 -2.18 0.00 0.00 179.01 175.90 1av6 h TYR 120 N 0.95 0.00 -0.03 0.92 3.20 -1.82 -1.22 116.97 118.98 1av6 h TYR 120 Ca 0.26 0.00 -0.23 0.00 3.14 0.00 0.00 58.73 61.89 1av6 h TYR 120 Cb -0.11 0.00 0.02 0.00 1.54 0.00 0.00 36.73 38.18 1av6 h TYR 120 CO -0.02 0.00 -0.89 -0.07 -1.64 0.00 0.00 178.16 175.53 1av6 h LEU 121 N 0.00 0.84 -0.85 2.82 3.38 -0.69 -1.39 115.31 119.42 1av6 h LEU 121 Ca 0.00 -0.72 -0.07 0.00 0.09 0.00 0.00 57.88 57.18 1av6 h LEU 121 Cb 0.31 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 1av6 h LEU 121 CO 0.00 1.44 0.04 0.03 0.09 0.00 0.00 178.44 180.05 1av6 h ARG 122 N 0.31 0.90 -0.30 1.13 3.08 -0.93 0.08 114.38 118.65 1av6 h ARG 122 Ca -0.10 -0.24 -0.05 0.00 0.07 0.00 0.00 59.98 59.66 1av6 h ARG 122 Cb 1.55 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 31.49 1av6 h ARG 122 CO 0.18 0.87 -0.01 0.77 -1.07 0.00 0.00 179.97 180.70 1av6 h SER 123 N 0.84 0.53 0.23 7.04 0.02 -1.13 -0.10 113.55 120.97 1av6 h SER 123 Ca 0.17 -0.32 -0.16 0.00 -0.84 0.00 0.00 61.79 60.64 1av6 h SER 123 Cb 0.44 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.83 1av6 h SER 123 CO 0.02 0.72 -0.62 0.16 -1.14 0.00 0.00 176.83 175.97 1av6 h ILE 124 N 0.32 1.36 -0.43 3.27 3.07 -1.12 -0.68 117.51 123.29 1av6 h ILE 124 Ca 0.08 -1.95 -0.01 0.00 1.55 0.00 0.00 64.86 64.53 1av6 h ILE 124 Cb 0.46 1.95 -0.02 0.00 -0.27 0.00 0.00 36.82 38.94 1av6 h ILE 124 CO 0.02 0.59 0.24 0.50 -1.05 0.00 0.00 178.15 178.44 1av6 h LYS 125 N 0.28 0.60 0.83 0.16 1.63 -0.88 -1.09 116.57 118.10 1av6 h LYS 125 Ca -0.01 -0.07 -0.04 0.00 -0.85 0.00 0.00 60.65 59.68 1av6 h LYS 125 Cb 1.15 -0.12 0.01 0.00 -0.60 0.00 0.00 32.23 32.67 1av6 h LYS 125 CO 0.10 0.48 -0.40 -0.22 -3.45 0.00 0.00 179.45 175.97 1av6 h LYS 126 N 0.56 -1.07 0.00 1.90 1.63 -0.86 -0.50 116.57 118.24 1av6 h LYS 126 Ca 0.15 0.07 0.00 0.00 -0.85 0.00 0.00 60.65 60.02 1av6 h LYS 126 Cb 0.05 0.24 0.00 0.00 -0.60 0.00 0.00 32.23 31.93 1av6 h LYS 126 CO -0.02 -0.71 0.00 0.00 -3.45 0.00 0.00 179.45 175.27 1av6 n GLN 127 N -5.56 0.44 -0.07 1.90 10.64 -0.28 -3.39 117.38 121.07 1av6 n GLN 127 Ca -0.15 0.01 -0.16 0.00 -1.83 0.00 0.00 57.00 54.88 1av6 n GLN 127 Cb 0.44 -1.50 -0.05 0.00 -0.86 0.00 0.00 30.24 28.27 1av6 n GLN 127 CO 0.00 0.00 0.00 1.28 -1.83 0.00 0.00 177.06 176.51 1av6 n LEU 128 N -1.02 1.19 -4.45 2.61 4.32 -0.42 -5.04 117.00 114.18 1av6 n LEU 128 Ca 0.11 0.20 -0.43 0.00 -0.02 0.00 0.00 56.01 55.87 1av6 n LEU 128 Cb 0.06 -0.48 -0.00 0.00 -1.62 0.00 0.00 43.42 41.37 1av6 n LEU 128 CO 0.09 0.22 0.08 1.57 -1.22 0.00 0.00 177.39 178.12 1av6 n HIS 129 N -3.76 -0.40 0.80 -1.77 -0.00 -0.22 -1.72 115.22 108.15 1av6 n HIS 129 Ca -0.28 0.68 -0.01 0.00 -0.00 0.00 0.00 57.72 58.11 1av6 n HIS 129 Cb 0.66 -2.00 0.03 0.00 -0.00 0.00 0.00 29.99 28.68 1av6 n HIS 129 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.34 175.99 1av6 n PRO 130 N 0.77 1.23 -2.15 1.57 -0.04 -1.26 -4.99 135.00 130.13 1av6 n PRO 130 Ca 0.12 -0.30 -0.39 0.00 -0.04 0.00 0.00 63.50 62.89 1av6 n PRO 130 Cb 0.36 -1.30 -0.01 0.00 -0.04 0.00 0.00 33.50 32.50 1av6 n PRO 130 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1av6 s SER 131 N 0.43 6.50 -0.30 3.54 0.15 -0.70 -4.95 113.70 118.37 1av6 s SER 131 Ca 0.05 2.56 -0.29 0.00 0.70 0.00 0.00 55.95 58.97 1av6 s SER 131 Cb 0.04 -2.63 0.01 0.00 -1.71 0.00 0.00 66.02 61.73 1av6 s SER 131 CO 0.01 -0.71 1.15 -0.54 1.20 0.00 0.00 173.24 174.35 1av6 s LYS 132 N -2.13 4.04 0.07 5.44 -0.14 -1.26 -4.91 119.74 120.84 1av6 s LYS 132 Ca 0.55 1.18 -0.19 0.00 -1.36 0.00 0.00 55.97 56.15 1av6 s LYS 132 Cb -0.36 -3.78 -0.07 0.00 -1.68 0.00 0.00 37.83 31.95 1av6 s LYS 132 CO 0.46 -0.94 0.55 0.42 -0.76 0.00 0.00 175.35 175.08 1av6 s ILE 133 N 3.82 4.78 -0.15 2.17 1.01 -1.26 -0.73 121.20 130.84 1av6 s ILE 133 Ca 0.49 1.15 0.02 0.00 0.00 0.00 0.00 60.65 62.31 1av6 s ILE 133 Cb -0.14 -3.87 0.02 0.00 0.01 0.00 0.00 42.46 38.48 1av6 s ILE 133 CO 0.17 0.55 -0.20 -0.63 0.00 0.00 0.00 174.94 174.83 1av6 s ILE 134 N -1.12 1.95 -0.14 2.92 1.01 -0.51 -1.00 121.20 124.31 1av6 s ILE 134 Ca 0.29 -0.89 -0.15 0.00 0.00 0.00 0.00 60.65 59.90 1av6 s ILE 134 Cb -0.19 -1.75 -0.05 0.00 0.01 0.00 0.00 42.46 40.48 1av6 s ILE 134 CO 0.18 0.52 0.35 -0.22 0.00 0.00 0.00 174.94 175.78 1av6 s LEU 135 N 1.11 4.27 -0.11 2.97 2.96 -0.42 -1.20 118.68 128.26 1av6 s LEU 135 Ca -0.01 0.62 -0.00 0.00 -0.22 0.00 0.00 54.13 54.52 1av6 s LEU 135 Cb -0.14 -2.47 0.02 0.00 0.50 0.00 0.00 46.19 44.10 1av6 s LEU 135 CO -0.08 0.09 -0.07 -0.63 -1.32 0.00 0.00 176.35 174.34 1av6 s ILE 136 N 0.41 0.95 0.28 6.68 1.01 -0.54 -0.29 121.20 129.69 1av6 s ILE 136 Ca 0.20 -0.25 0.10 0.00 0.00 0.00 0.00 60.65 60.69 1av6 s ILE 136 Cb -0.14 -0.98 -0.04 0.00 0.01 0.00 0.00 42.46 41.31 1av6 s ILE 136 CO 0.06 0.35 0.00 -0.55 0.00 0.00 0.00 174.94 174.80 1av6 s SER 137 N 1.68 4.49 0.00 3.58 0.15 -0.47 -1.42 113.70 121.71 1av6 s SER 137 Ca 0.04 -0.69 0.00 0.00 0.70 0.00 0.00 55.95 56.00 1av6 s SER 137 Cb -0.13 -0.80 0.00 0.00 -1.71 0.00 0.00 66.02 63.39 1av6 s SER 137 CO -0.07 -0.03 0.49 -0.67 1.20 0.00 0.00 173.24 174.15 1av6 n ASP 138 N -0.91 -0.33 -4.76 5.45 2.03 -1.08 -4.07 116.55 112.88 1av6 n ASP 138 Ca -0.06 -0.97 -0.40 0.00 0.52 0.00 0.00 54.79 53.88 1av6 n ASP 138 Cb 0.59 0.10 -0.04 0.00 -0.72 0.00 0.00 41.12 41.05 1av6 n ASP 138 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 1av6 s VAL 139 N 0.00 3.44 -0.25 5.18 -7.23 -1.26 -4.86 120.40 115.43 1av6 s VAL 139 Ca 0.00 1.42 -0.05 0.00 -1.81 0.00 0.00 61.98 61.54 1av6 s VAL 139 Cb 0.00 -3.89 0.13 0.00 0.56 0.00 0.00 36.38 33.18 1av6 s VAL 139 CO 0.00 0.32 0.48 -0.60 -0.31 0.00 0.00 175.10 174.98 1av6 s ARG 140 N -1.57 0.42 0.01 4.82 6.06 -1.26 -4.97 118.95 122.46 1av6 s ARG 140 Ca 0.46 0.96 -0.18 0.00 -2.50 0.00 0.00 55.73 54.47 1av6 s ARG 140 Cb -0.32 0.23 -0.31 0.00 0.06 0.00 0.00 34.95 34.61 1av6 s ARG 140 CO 0.41 -0.42 1.01 0.77 -2.50 0.00 0.00 175.30 174.57 1av6 h SER 141 N 8.12 0.71 -2.00 -2.12 0.02 -1.96 -3.53 113.55 112.79 1av6 h SER 141 Ca -0.18 -0.88 0.08 0.00 -0.84 0.00 0.00 61.79 59.97 1av6 h SER 141 Cb 1.13 -0.23 -0.21 0.00 0.14 0.00 0.00 62.40 63.24 1av6 h SER 141 CO 0.18 1.53 -0.08 -2.16 -1.14 0.00 0.00 176.83 175.17 1av6 s PRO 148 N -2.73 0.56 0.30 3.45 0.04 -1.26 -4.87 135.00 130.49 1av6 s PRO 148 Ca -0.11 1.37 0.07 0.00 0.04 0.00 0.00 61.00 62.37 1av6 s PRO 148 Cb 0.03 0.77 -0.03 0.00 0.04 0.00 0.00 34.50 35.32 1av6 s PRO 148 CO 0.89 -0.19 0.30 -1.54 0.04 0.00 0.00 177.00 176.51 1av6 s SER 149 N 2.73 5.56 0.32 6.66 1.04 -1.26 -4.98 113.70 123.77 1av6 s SER 149 Ca -0.06 -0.32 0.09 0.00 0.48 0.00 0.00 55.95 56.14 1av6 s SER 149 Cb -0.11 -1.22 0.89 0.00 0.10 0.00 0.00 66.02 65.68 1av6 s SER 149 CO -0.19 -0.25 1.72 0.74 0.98 0.00 0.00 173.24 176.24 1av6 h THR 150 N 1.25 0.51 -0.22 2.02 2.02 -1.98 0.15 112.91 116.66 1av6 h THR 150 Ca -0.47 -0.18 0.05 0.00 0.77 0.00 0.00 66.41 66.58 1av6 h THR 150 Cb 1.25 -0.08 -0.05 0.00 -1.74 0.00 0.00 68.15 67.53 1av6 h THR 150 CO 0.58 0.10 -0.12 0.00 0.37 0.00 0.00 175.52 176.45 1av6 h ALA 151 N 1.74 0.05 -0.64 6.16 0.00 -1.95 0.26 119.26 124.89 1av6 h ALA 151 Ca 0.64 0.08 0.06 0.00 0.00 0.00 0.00 54.91 55.70 1av6 h ALA 151 Cb 1.25 0.28 -0.06 0.00 0.00 0.00 0.00 17.79 19.27 1av6 h ALA 151 CO -0.49 -0.54 0.33 -0.44 0.00 0.00 0.00 179.25 178.11 1av6 h ASP 152 N -0.10 0.47 0.39 0.00 3.32 -1.08 -0.60 116.42 118.82 1av6 h ASP 152 Ca 0.12 0.04 -0.02 0.00 0.02 0.00 0.00 57.03 57.19 1av6 h ASP 152 Cb 0.28 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.79 1av6 h ASP 152 CO -0.28 0.30 -0.19 -0.07 -1.72 0.00 0.00 179.24 177.28 1av6 h LEU 153 N 0.61 -0.45 -1.37 1.55 3.38 -0.41 -0.12 115.31 118.51 1av6 h LEU 153 Ca 0.29 -0.03 0.11 0.00 0.09 0.00 0.00 57.88 58.33 1av6 h LEU 153 Cb 0.22 0.12 -0.06 0.00 0.09 0.00 0.00 40.66 41.03 1av6 h LEU 153 CO -0.20 -0.25 0.52 -0.07 0.09 0.00 0.00 178.44 178.52 1av6 h LEU 154 N -0.61 0.62 0.15 1.67 3.38 -0.18 0.81 115.31 121.14 1av6 h LEU 154 Ca -0.05 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 1av6 h LEU 154 Cb 0.45 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.10 1av6 h LEU 154 CO 0.09 0.36 -0.07 -1.28 0.09 0.00 0.00 178.44 177.63 1av6 h SER 155 N 0.68 -0.17 -0.73 -0.43 0.87 -0.87 -0.45 113.55 112.46 1av6 h SER 155 Ca 0.37 -0.26 0.08 0.00 -1.23 0.00 0.00 61.79 60.76 1av6 h SER 155 Cb 0.52 0.04 -0.05 0.00 -0.44 0.00 0.00 62.40 62.47 1av6 h SER 155 CO -0.14 0.18 0.48 0.78 -0.53 0.00 0.00 176.83 177.60 1av6 h ASN 156 N -0.53 0.60 0.74 6.23 2.35 0.04 -0.09 115.58 124.92 1av6 h ASN 156 Ca -0.02 0.01 -0.15 0.00 -0.55 0.00 0.00 56.30 55.59 1av6 h ASN 156 Cb 0.42 -0.12 -0.02 0.00 0.05 0.00 0.00 38.32 38.65 1av6 h ASN 156 CO 0.03 0.37 -0.70 1.88 -1.65 0.00 0.00 177.43 177.36 1av6 h TYR 157 N 0.67 0.00 -0.43 1.19 0.05 -0.72 0.34 116.97 118.07 1av6 h TYR 157 Ca 0.33 0.00 -0.12 0.00 0.05 0.00 0.00 58.73 58.99 1av6 h TYR 157 Cb 0.40 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.12 1av6 h TYR 157 CO -0.00 0.70 -0.21 0.00 -1.05 0.00 0.00 178.16 177.60 1av6 h ALA 158 N 1.30 0.82 -0.05 3.88 0.00 0.68 -2.32 119.26 123.56 1av6 h ALA 158 Ca -0.01 -0.38 -0.03 0.00 0.00 0.00 0.00 54.91 54.50 1av6 h ALA 158 Cb 1.26 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1av6 h ALA 158 CO 0.09 0.65 -0.09 1.25 0.00 0.00 0.00 179.25 181.15 1av6 h LEU 159 N 0.75 0.16 -1.54 0.00 5.85 -1.06 -2.98 115.31 116.50 1av6 h LEU 159 Ca 0.10 -0.55 0.17 0.00 0.84 0.00 0.00 57.88 58.44 1av6 h LEU 159 Cb 0.75 -0.05 -0.06 0.00 0.37 0.00 0.00 40.66 41.67 1av6 h LEU 159 CO 0.06 0.69 0.55 1.56 -0.34 0.00 0.00 178.44 180.95 1av6 h GLN 160 N -0.35 0.41 -0.22 1.25 4.20 -0.85 0.15 115.11 119.69 1av6 h GLN 160 Ca 0.00 -0.02 -0.15 0.00 0.06 0.00 0.00 58.65 58.54 1av6 h GLN 160 Cb 0.66 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.34 1av6 h GLN 160 CO 0.02 0.27 -0.43 -0.91 -0.67 0.00 0.00 178.83 177.12 1av6 h ASN 161 N 0.43 0.76 1.46 1.46 2.35 -1.41 -2.91 115.58 117.72 1av6 h ASN 161 Ca 0.42 -0.54 -0.00 0.00 -0.55 0.00 0.00 56.30 55.62 1av6 h ASN 161 Cb 0.98 -0.22 -0.00 0.00 0.05 0.00 0.00 38.32 39.13 1av6 h ASN 161 CO -0.15 1.16 -0.02 1.62 -1.65 0.00 0.00 177.43 178.40 1av6 h VAL 162 N 0.39 0.04 -0.68 2.81 3.04 -1.07 -1.82 116.25 118.96 1av6 h VAL 162 Ca 0.01 -0.78 -0.06 0.00 -1.01 0.00 0.00 66.70 64.85 1av6 h VAL 162 Cb 1.03 1.75 -0.03 0.00 -2.01 0.00 0.00 31.29 32.04 1av6 h VAL 162 CO 0.10 0.02 0.18 0.24 -1.01 0.00 0.00 177.57 177.10 1av6 h MET 163 N 0.00 1.08 -0.17 4.17 2.86 -0.57 0.16 114.93 122.46 1av6 h MET 163 Ca -0.00 -0.25 -0.05 0.00 -2.06 0.00 0.00 59.70 57.33 1av6 h MET 163 Cb 0.75 -0.15 -0.00 0.00 0.06 0.00 0.00 31.60 32.26 1av6 h MET 163 CO 0.00 0.95 -0.10 0.82 1.06 0.00 0.00 176.91 179.64 1av6 h ILE 164 N 1.01 1.32 -0.48 -1.22 1.08 -1.26 0.35 117.51 118.32 1av6 h ILE 164 Ca 0.22 -1.19 -0.02 0.00 -0.39 0.00 0.00 64.86 63.48 1av6 h ILE 164 Cb 0.35 1.73 -0.02 0.00 -3.07 0.00 0.00 36.82 35.81 1av6 h ILE 164 CO -0.00 0.35 0.23 0.28 -0.69 0.00 0.00 178.15 178.32 1av6 h SER 165 N 0.04 0.62 0.00 1.72 0.02 -1.07 0.23 113.55 115.11 1av6 h SER 165 Ca 0.04 -0.12 -0.01 0.00 -0.84 0.00 0.00 61.79 60.85 1av6 h SER 165 Cb 0.60 -0.16 -0.00 0.00 0.14 0.00 0.00 62.40 62.98 1av6 h SER 165 CO 0.03 0.57 -0.07 0.40 -1.14 0.00 0.00 176.83 176.62 1av6 h ILE 166 N 0.62 1.24 0.00 3.27 2.04 -0.75 -3.36 117.51 120.57 1av6 h ILE 166 Ca 0.16 -1.95 -0.08 0.00 1.00 0.00 0.00 64.86 63.99 1av6 h ILE 166 Cb 0.11 2.36 -0.01 0.00 -0.74 0.00 0.00 36.82 38.54 1av6 h ILE 166 CO -0.02 0.42 -0.39 -0.07 0.00 0.00 0.00 178.15 178.09 1av6 h LEU 167 N -1.00 0.00 -2.98 1.44 3.38 -1.03 -3.47 115.31 111.65 1av6 h LEU 167 Ca -0.02 0.00 -0.49 0.00 0.09 0.00 0.00 57.88 57.46 1av6 h LEU 167 Cb 0.74 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.51 1av6 h LEU 167 CO -0.01 0.39 -0.94 -3.20 0.09 0.00 0.00 178.44 174.76 1av6 n ASN 168 N -3.84 -3.58 -4.79 -0.43 5.15 0.80 -4.85 115.26 103.72 1av6 n ASN 168 Ca -0.01 -1.08 -0.31 0.00 -0.60 0.00 0.00 54.58 52.58 1av6 n ASN 168 Cb 0.45 -2.90 0.08 0.00 -0.53 0.00 0.00 39.78 36.88 1av6 n ASN 168 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1av6 s PRO 169 N -6.46 2.38 0.00 1.20 0.04 -1.26 -4.77 135.00 126.13 1av6 s PRO 169 Ca 0.34 1.00 0.27 0.00 0.04 0.00 0.00 61.00 62.65 1av6 s PRO 169 Cb -0.14 -1.92 0.85 0.00 0.04 0.00 0.00 34.50 33.33 1av6 s PRO 169 CO 0.90 -1.51 1.65 1.33 0.04 0.00 0.00 177.00 179.41 1av6 n VAL 170 N -3.41 0.00 -3.57 -0.36 0.24 -0.17 -4.68 118.33 106.38 1av6 n VAL 170 Ca 0.08 -0.01 -0.08 0.00 -2.04 0.00 0.00 64.34 62.29 1av6 n VAL 170 Cb 0.54 -0.04 -0.04 0.00 -1.47 0.00 0.00 33.84 32.83 1av6 n VAL 170 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1av6 s ALA 171 N -2.91 -1.95 -0.02 2.33 0.00 -1.26 -0.84 121.76 117.11 1av6 s ALA 171 Ca 0.15 1.51 -0.21 0.00 0.00 0.00 0.00 51.96 53.40 1av6 s ALA 171 Cb 0.18 -0.49 0.04 0.00 0.00 0.00 0.00 23.12 22.86 1av6 s ALA 171 CO 0.61 -0.42 0.46 -1.54 0.00 0.00 0.00 175.76 174.87 1av6 s SER 172 N -1.53 -0.37 -0.20 0.00 1.04 0.98 -1.29 113.70 112.33 1av6 s SER 172 Ca 0.02 0.29 0.00 0.00 0.48 0.00 0.00 55.95 56.75 1av6 s SER 172 Cb -0.01 0.41 0.05 0.00 0.10 0.00 0.00 66.02 66.57 1av6 s SER 172 CO -0.02 -0.55 -0.06 -0.55 0.98 0.00 0.00 173.24 173.04 1av6 s SER 173 N -1.40 3.27 0.15 7.02 0.15 0.60 -0.87 113.70 122.61 1av6 s SER 173 Ca -0.11 -0.87 0.06 0.00 0.70 0.00 0.00 55.95 55.72 1av6 s SER 173 Cb -0.03 -1.05 -0.04 0.00 -1.71 0.00 0.00 66.02 63.19 1av6 s SER 173 CO 0.05 -0.20 0.05 -0.76 1.20 0.00 0.00 173.24 173.58 1av6 s LEU 174 N 1.52 3.53 0.03 3.45 2.01 -0.53 -1.37 118.68 127.32 1av6 s LEU 174 Ca -0.02 -0.24 -0.30 0.00 0.01 0.00 0.00 54.13 53.58 1av6 s LEU 174 Cb -0.17 -2.19 -0.04 0.00 0.01 0.00 0.00 46.19 43.80 1av6 s LEU 174 CO -0.07 0.11 1.05 -0.75 1.01 0.00 0.00 176.35 177.69 1av6 s LYS 175 N -2.82 4.53 -0.30 1.70 2.20 -1.26 -1.58 119.74 122.20 1av6 s LYS 175 Ca 0.28 1.54 -0.03 0.00 -0.36 0.00 0.00 55.97 57.41 1av6 s LYS 175 Cb -0.10 -3.42 0.10 0.00 -1.51 0.00 0.00 37.83 32.90 1av6 s LYS 175 CO 0.20 -0.10 0.12 -0.46 -0.36 0.00 0.00 175.35 174.75 1av6 s TRP 176 N 0.96 0.89 -0.36 4.03 -0.00 -0.04 -4.83 118.94 119.58 1av6 s TRP 176 Ca 0.54 -1.25 0.01 0.00 -0.00 0.00 0.00 56.10 55.40 1av6 s TRP 176 Cb -0.24 -1.23 0.12 0.00 -0.00 0.00 0.00 33.47 32.11 1av6 s TRP 176 CO 0.29 -0.85 0.15 0.50 -0.00 0.00 0.00 176.95 177.04 1av6 s ARG 177 N 1.87 0.97 0.31 5.86 3.00 -1.26 -0.88 118.95 128.83 1av6 s ARG 177 Ca 0.10 -1.50 -0.29 0.00 -1.00 0.00 0.00 55.73 53.04 1av6 s ARG 177 Cb -0.17 -2.17 -0.12 0.00 0.00 0.00 0.00 34.95 32.49 1av6 s ARG 177 CO -0.31 -1.06 1.45 0.00 0.00 0.00 0.00 175.30 175.37 1av6 n PRO 179 N 1.35 2.16 -1.89 0.00 -0.02 -1.26 -4.91 135.00 130.43 1av6 n PRO 179 Ca 0.07 0.77 -0.41 0.00 -2.02 0.00 0.00 63.50 61.90 1av6 n PRO 179 Cb 0.36 -2.47 -0.02 0.00 -0.02 0.00 0.00 33.50 31.35 1av6 n PRO 179 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 1av6 s PHE 180 N 0.12 2.89 -0.37 6.00 0.08 -1.26 -4.79 117.98 120.64 1av6 s PHE 180 Ca 0.69 0.89 0.09 0.00 0.12 0.00 0.00 56.93 58.72 1av6 s PHE 180 Cb -0.63 -3.95 0.47 0.00 -0.57 0.00 0.00 43.02 38.34 1av6 s PHE 180 CO 0.47 -3.16 1.17 -0.35 -0.10 0.00 0.00 175.22 173.25 1av6 n PRO 181 N 2.32 0.06 0.00 0.24 -0.04 -1.26 -1.36 135.00 134.95 1av6 n PRO 181 Ca 0.08 0.49 0.11 0.00 -0.04 0.00 0.00 63.50 64.14 1av6 n PRO 181 Cb 0.39 -1.85 0.11 0.00 -0.04 0.00 0.00 33.50 32.11 1av6 n PRO 181 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1av6 n ASP 182 N -1.77 0.99 -0.44 3.54 5.75 -1.26 -4.00 116.55 119.36 1av6 n ASP 182 Ca -0.01 -0.81 0.07 0.00 -0.01 0.00 0.00 54.79 54.04 1av6 n ASP 182 Cb 0.18 0.51 0.17 0.00 -1.03 0.00 0.00 41.12 40.94 1av6 n ASP 182 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1av6 n GLN 183 N -1.12 1.33 -2.19 0.11 3.00 -0.47 -5.07 117.38 112.98 1av6 n GLN 183 Ca 0.07 -2.88 -0.40 0.00 -0.01 0.00 0.00 57.00 53.77 1av6 n GLN 183 Cb 0.36 -1.45 -0.02 0.00 0.00 0.00 0.00 30.24 29.12 1av6 n GLN 183 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.06 176.60 1av6 s TRP 184 N -2.82 3.13 -0.10 1.08 -0.11 -1.20 -4.63 118.94 114.30 1av6 s TRP 184 Ca 0.34 1.48 -0.07 0.00 1.22 0.00 0.00 56.10 59.08 1av6 s TRP 184 Cb 0.32 -3.58 -0.05 0.00 -1.50 0.00 0.00 33.47 28.67 1av6 s TRP 184 CO -0.03 -1.58 -0.16 -0.89 -4.62 0.00 0.00 176.95 169.66 1av6 n ILE 185 N 0.76 0.86 -3.81 5.86 5.41 -1.26 -5.12 119.36 122.06 1av6 n ILE 185 Ca 0.00 -0.05 -0.04 0.00 1.00 0.00 0.00 62.75 63.66 1av6 n ILE 185 Cb 0.43 -1.74 -0.00 0.00 -0.71 0.00 0.00 39.64 37.62 1av6 n ILE 185 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 176.55 174.96 1av6 s LYS 186 N -2.27 1.44 0.40 0.38 -2.85 -1.26 -5.17 119.74 110.42 1av6 s LYS 186 Ca -0.16 -0.86 -0.13 0.00 -1.00 0.00 0.00 55.97 53.82 1av6 s LYS 186 Cb 0.05 0.45 -0.07 0.00 -2.06 0.00 0.00 37.83 36.20 1av6 s LYS 186 CO 0.21 -0.67 0.81 -0.51 0.10 0.00 0.00 175.35 175.29 1av6 s ASP 187 N -3.08 6.62 0.23 0.03 1.01 -1.26 -4.94 116.67 115.27 1av6 s ASP 187 Ca 0.15 1.27 -0.06 0.00 0.71 0.00 0.00 52.55 54.62 1av6 s ASP 187 Cb -0.03 -2.38 -0.02 0.00 1.01 0.00 0.00 42.92 41.50 1av6 s ASP 187 CO 0.05 -0.38 0.28 0.72 0.21 0.00 0.00 175.17 176.05 1av6 s PHE 188 N -2.31 0.86 0.06 4.23 -0.71 -1.11 -4.97 117.98 114.03 1av6 s PHE 188 Ca 0.54 -1.13 0.06 0.00 -1.04 0.00 0.00 56.93 55.36 1av6 s PHE 188 Cb -0.10 -0.25 -0.04 0.00 -1.21 0.00 0.00 43.02 41.42 1av6 s PHE 188 CO 0.27 -0.80 -0.11 0.71 -1.34 0.00 0.00 175.22 173.95 1av6 s TYR 189 N -4.05 2.74 0.06 3.49 1.51 -1.26 -0.83 117.35 119.02 1av6 s TYR 189 Ca 0.32 -0.14 0.01 0.00 -1.01 0.00 0.00 57.07 56.24 1av6 s TYR 189 Cb 0.04 -1.49 -0.04 0.00 -0.11 0.00 0.00 41.96 40.36 1av6 s TYR 189 CO 0.11 0.37 -0.05 0.96 -1.11 0.00 0.00 175.55 175.84 1av6 s ILE 190 N -1.09 0.42 0.86 2.71 -4.36 -0.28 -4.89 121.20 114.57 1av6 s ILE 190 Ca 0.19 -1.64 -0.11 0.00 -0.26 0.00 0.00 60.65 58.82 1av6 s ILE 190 Cb -0.11 -1.30 0.11 0.00 1.25 0.00 0.00 42.46 42.41 1av6 s ILE 190 CO 0.10 -0.81 1.15 -2.84 0.24 0.00 0.00 174.94 172.78 1av6 s PRO 191 N -3.26 1.43 0.10 0.37 0.02 -1.26 -0.07 135.00 132.32 1av6 s PRO 191 Ca 0.04 1.52 -0.17 0.00 0.02 0.00 0.00 61.00 62.41 1av6 s PRO 191 Cb 0.02 -1.78 -0.07 0.00 0.02 0.00 0.00 34.50 32.70 1av6 s PRO 191 CO -0.06 -2.32 0.56 -1.58 -0.33 0.00 0.00 177.00 173.27 1av6 s HIS 192 N -2.58 3.72 0.00 6.54 5.65 -0.07 -4.63 115.29 123.93 1av6 s HIS 192 Ca 0.67 1.19 0.00 0.00 0.25 0.00 0.00 55.06 57.17 1av6 s HIS 192 Cb -0.23 -2.44 0.00 0.00 -1.18 0.00 0.00 32.58 28.73 1av6 s HIS 192 CO 0.55 0.52 0.00 0.41 -0.65 0.00 0.00 174.74 175.58 1av6 n GLY 193 N 1.35 -0.96 3.67 1.59 0.00 -1.26 -4.78 105.19 104.80 1av6 n GLY 193 Ca -0.08 -1.07 -0.43 0.00 0.00 0.00 0.00 46.02 44.44 1av6 n GLY 193 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1av6 s ASN 194 N 0.00 7.16 -0.99 1.61 0.01 0.14 -4.77 114.94 118.10 1av6 s ASN 194 Ca 0.00 1.45 -0.19 0.00 -0.71 0.00 0.00 52.86 53.41 1av6 s ASN 194 Cb 0.00 -2.55 0.11 0.00 0.41 0.00 0.00 41.25 39.23 1av6 s ASN 194 CO 0.00 -0.58 1.25 -0.54 -1.51 0.00 0.00 177.10 175.72 1av6 s LYS 195 N 2.71 3.66 -0.01 -0.60 1.02 -1.26 -0.41 119.74 124.85 1av6 s LYS 195 Ca 0.46 -1.70 -0.30 0.00 0.02 0.00 0.00 55.97 54.45 1av6 s LYS 195 Cb -0.16 -5.05 -0.05 0.00 -0.52 0.00 0.00 37.83 32.05 1av6 s LYS 195 CO 0.11 -1.89 1.27 1.41 -0.92 0.00 0.00 175.35 175.34 1av6 s MET 196 N 3.15 4.34 0.14 1.68 -2.45 0.94 -1.53 119.30 125.57 1av6 s MET 196 Ca 0.37 1.80 -0.26 0.00 -1.25 0.00 0.00 55.69 56.36 1av6 s MET 196 Cb -0.03 -3.51 -0.07 0.00 1.25 0.00 0.00 34.83 32.47 1av6 s MET 196 CO -0.08 -0.45 0.81 -0.51 1.05 0.00 0.00 175.02 175.83 1av6 s LEU 197 N 2.01 4.56 -0.10 4.11 1.02 0.19 -1.35 118.68 129.11 1av6 s LEU 197 Ca 0.59 1.64 0.03 0.00 0.02 0.00 0.00 54.13 56.41 1av6 s LEU 197 Cb -0.28 -3.34 -0.01 0.00 0.02 0.00 0.00 46.19 42.58 1av6 s LEU 197 CO 0.25 0.14 -0.19 0.00 0.02 0.00 0.00 176.35 176.57 1av6 s GLN 198 N -0.80 3.07 0.61 1.70 -2.07 -1.26 -4.92 119.66 115.99 1av6 s GLN 198 Ca 0.38 -0.79 -0.10 0.00 -1.82 0.00 0.00 55.36 53.03 1av6 s GLN 198 Cb -0.23 -2.42 -0.04 0.00 -1.09 0.00 0.00 33.01 29.23 1av6 s GLN 198 CO 0.26 0.26 1.00 -1.25 -1.32 0.00 0.00 175.29 174.25 1av6 s PRO 199 N 0.18 3.58 -1.32 9.60 0.04 -1.26 -4.10 135.00 141.72 1av6 s PRO 199 Ca -0.11 0.68 0.00 0.00 0.04 0.00 0.00 61.00 61.61 1av6 s PRO 199 Cb -0.16 -2.11 0.00 0.00 0.04 0.00 0.00 34.50 32.27 1av6 s PRO 199 CO 0.06 -0.54 0.00 1.19 0.04 0.00 0.00 177.00 177.76 1av6 n PHE 200 N -2.70 0.00 -1.87 0.56 3.72 -1.26 -4.51 117.46 111.41 1av6 n PHE 200 Ca 0.05 0.00 -0.29 0.00 -0.05 0.00 0.00 57.45 57.16 1av6 n PHE 200 Cb 0.54 -2.33 0.11 0.00 -0.94 0.00 0.00 39.48 36.86 1av6 n PHE 200 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1av6 s ALA 201 N -2.42 2.51 0.36 4.37 0.00 -1.26 -4.42 121.76 120.91 1av6 s ALA 201 Ca 0.00 -0.71 -0.28 0.00 0.00 0.00 0.00 51.96 50.97 1av6 s ALA 201 Cb 0.00 -2.94 -0.12 0.00 0.00 0.00 0.00 23.12 20.06 1av6 s ALA 201 CO 0.00 -1.83 1.42 -2.30 0.00 0.00 0.00 175.76 173.05 1av6 n PRO 202 N -3.42 2.48 -0.27 0.00 -0.02 -1.26 -4.84 135.00 127.67 1av6 n PRO 202 Ca 0.09 0.87 0.24 0.00 -2.02 0.00 0.00 63.50 62.68 1av6 n PRO 202 Cb 0.61 -2.55 0.42 0.00 -0.02 0.00 0.00 33.50 31.96 1av6 n PRO 202 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1av6 n SER 203 N 0.62 0.17 -1.57 2.55 7.64 -0.62 -0.13 113.62 122.28 1av6 n SER 203 Ca 0.03 0.98 -0.03 0.00 1.01 0.00 0.00 58.87 60.85 1av6 n SER 203 Cb 0.38 -0.48 0.09 0.00 -1.01 0.00 0.00 64.21 63.19 1av6 n SER 203 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 1av6 n TYR 204 N -4.18 0.96 -2.42 1.43 4.01 -1.26 -4.68 117.16 111.02 1av6 n TYR 204 Ca 0.26 -1.58 -0.37 0.00 -0.16 0.00 0.00 57.90 56.05 1av6 n TYR 204 Cb 0.96 -0.25 -0.03 0.00 -0.31 0.00 0.00 39.34 39.71 1av6 n TYR 204 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1av6 s SER 205 N -3.16 6.53 0.00 7.72 0.15 0.81 -4.93 113.70 120.82 1av6 s SER 205 Ca 0.39 2.16 0.16 0.00 0.70 0.00 0.00 55.95 59.36 1av6 s SER 205 Cb 0.38 -2.59 0.29 0.00 -1.71 0.00 0.00 66.02 62.38 1av6 s SER 205 CO -0.06 -0.66 1.20 0.00 1.20 0.00 0.00 173.24 174.92 1av6 n ALA 206 N -0.21 2.37 -2.38 5.45 0.00 -1.26 -4.94 120.51 119.53 1av6 n ALA 206 Ca 0.06 -0.91 -0.42 0.00 0.00 0.00 0.00 53.44 52.16 1av6 n ALA 206 Cb 0.49 -0.61 -0.03 0.00 0.00 0.00 0.00 19.45 19.30 1av6 n ALA 206 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1av6 s GLU 207 N -1.20 4.41 0.29 0.00 2.12 -1.26 -4.62 118.70 118.44 1av6 s GLU 207 Ca 0.27 1.81 0.03 0.00 0.36 0.00 0.00 54.97 57.44 1av6 s GLU 207 Cb 0.16 -3.35 -0.04 0.00 0.26 0.00 0.00 34.13 31.16 1av6 s GLU 207 CO 0.22 -0.30 0.17 0.00 -0.54 0.00 0.00 175.26 174.81 1av6 s MET 208 N 1.15 1.56 -0.04 4.30 0.23 -0.06 -4.59 119.30 121.86 1av6 s MET 208 Ca 0.60 -1.88 0.06 0.00 -1.03 0.00 0.00 55.69 53.43 1av6 s MET 208 Cb -0.30 -0.01 -0.01 0.00 -1.53 0.00 0.00 34.83 32.97 1av6 s MET 208 CO 0.29 -0.46 -0.23 1.03 -2.03 0.00 0.00 175.02 173.62 1av6 s ARG 209 N -3.82 2.22 -0.53 3.16 0.52 -0.46 -0.86 118.95 119.18 1av6 s ARG 209 Ca 0.37 -0.84 -0.19 0.00 -0.52 0.00 0.00 55.73 54.55 1av6 s ARG 209 Cb 0.05 -1.96 0.07 0.00 0.52 0.00 0.00 34.95 33.63 1av6 s ARG 209 CO 0.18 0.40 0.66 -1.17 0.02 0.00 0.00 175.30 175.38 1av6 s LEU 210 N -0.25 5.04 -0.16 2.53 2.96 -0.62 -0.04 118.68 128.13 1av6 s LEU 210 Ca 0.00 -1.02 -0.13 0.00 -0.22 0.00 0.00 54.13 52.76 1av6 s LEU 210 Cb -0.12 -2.42 -0.05 0.00 0.50 0.00 0.00 46.19 44.10 1av6 s LEU 210 CO 0.02 -0.96 0.26 -0.76 -1.32 0.00 0.00 176.35 173.59 1av6 s LEU 211 N 2.70 4.25 -0.07 -0.68 1.43 0.45 -1.46 118.68 125.30 1av6 s LEU 211 Ca 0.15 0.46 -0.04 0.00 -1.03 0.00 0.00 54.13 53.67 1av6 s LEU 211 Cb -0.20 -2.31 0.03 0.00 0.03 0.00 0.00 46.19 43.74 1av6 s LEU 211 CO 0.11 0.13 0.17 -0.44 0.23 0.00 0.00 176.35 176.54 1av6 s SER 212 N 0.36 -0.15 -0.20 2.29 0.01 -0.05 0.26 113.70 116.21 1av6 s SER 212 Ca 0.15 0.35 -0.06 0.00 1.31 0.00 0.00 55.95 57.70 1av6 s SER 212 Cb -0.13 0.27 -0.03 0.00 0.21 0.00 0.00 66.02 66.34 1av6 s SER 212 CO 0.03 -0.12 0.02 -0.63 0.41 0.00 0.00 173.24 172.95 1av6 s ILE 213 N 0.83 4.22 0.04 1.44 1.01 -1.26 -0.01 121.20 127.46 1av6 s ILE 213 Ca -0.06 -0.22 -0.18 0.00 0.00 0.00 0.00 60.65 60.19 1av6 s ILE 213 Cb -0.08 -2.91 -0.06 0.00 0.01 0.00 0.00 42.46 39.42 1av6 s ILE 213 CO -0.04 0.43 0.52 -0.31 0.00 0.00 0.00 174.94 175.53 1av6 s TYR 214 N 0.86 3.76 0.51 3.97 2.02 -0.02 -4.94 117.35 123.52 1av6 s TYR 214 Ca 0.02 1.17 0.27 0.00 -0.37 0.00 0.00 57.07 58.15 1av6 s TYR 214 Cb -0.14 -2.45 1.60 0.00 -0.40 0.00 0.00 41.96 40.57 1av6 s TYR 214 CO 0.02 0.57 2.17 1.79 -1.57 0.00 0.00 175.55 178.52 1av6 h THR 215 N 3.69 0.62 0.00 -0.71 1.35 -1.90 -3.46 112.91 112.50 1av6 h THR 215 Ca -0.49 -0.24 0.00 0.00 -0.55 0.00 0.00 66.41 65.13 1av6 h THR 215 Cb 1.21 1.15 0.00 0.00 -1.73 0.00 0.00 68.15 68.78 1av6 h THR 215 CO 0.64 0.06 0.00 0.61 -0.25 0.00 0.00 175.52 176.57 1av6 n GLY 216 N -1.09 -0.38 2.77 5.82 0.00 -1.26 -4.97 105.19 106.07 1av6 n GLY 216 Ca -0.03 0.31 -0.42 0.00 0.00 0.00 0.00 46.02 45.88 1av6 n GLY 216 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1av6 n GLU 217 N 0.00 3.45 -2.32 1.61 1.02 -1.26 -4.84 120.64 118.31 1av6 n GLU 217 Ca 0.00 -3.17 -0.03 0.00 -0.02 0.00 0.00 57.16 53.94 1av6 n GLU 217 Cb 0.00 -3.01 -0.01 0.00 -0.02 0.00 0.00 31.44 28.40 1av6 n GLU 217 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1av6 n ASN 218 N 4.39 0.00 0.00 1.62 4.13 -1.26 -5.15 115.26 118.99 1av6 n ASN 218 Ca 0.47 -1.31 0.00 0.00 1.68 0.00 0.00 54.58 55.42 1av6 n ASN 218 Cb 0.36 0.23 0.00 0.00 -1.54 0.00 0.00 39.78 38.82 1av6 n ASN 218 CO 0.00 0.00 0.00 0.80 0.28 0.00 0.00 177.26 178.34 1av6 n MET 219 N -0.09 0.00 0.00 3.52 1.56 -1.26 -4.90 117.12 115.94 1av6 n MET 219 Ca 0.01 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.44 1av6 n MET 219 Cb 0.09 0.00 0.00 0.00 2.15 0.00 0.00 33.22 35.46 1av6 n MET 219 CO 0.00 0.00 0.00 -2.13 -0.73 0.00 0.00 175.97 173.11 1av6 n ARG 220 N 0.00 0.00 -4.55 2.12 3.00 -1.26 -4.99 116.66 110.98 1av6 n ARG 220 Ca 0.00 0.00 -0.34 0.00 -0.00 0.00 0.00 57.85 57.51 1av6 n ARG 220 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 32.46 32.35 1av6 n ARG 220 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 1av6 s LEU 221 N 0.00 3.29 0.07 6.15 1.43 -1.26 -0.89 118.68 127.47 1av6 s LEU 221 Ca 0.00 0.02 0.09 0.00 -1.03 0.00 0.00 54.13 53.21 1av6 s LEU 221 Cb 0.00 -1.73 -0.03 0.00 0.03 0.00 0.00 46.19 44.45 1av6 s LEU 221 CO 0.00 0.36 -0.24 0.42 0.23 0.00 0.00 176.35 177.13 1av6 s THR 222 N -0.84 2.39 0.36 5.49 -4.23 0.89 -4.87 115.64 114.83 1av6 s THR 222 Ca 0.13 -1.42 -0.21 0.00 -1.18 0.00 0.00 61.69 59.01 1av6 s THR 222 Cb -0.11 -1.99 -0.10 0.00 1.34 0.00 0.00 72.50 71.64 1av6 s THR 222 CO 0.02 0.28 0.88 -0.60 -0.54 0.00 0.00 174.62 174.66 1av6 s ARG 223 N -1.53 4.27 -0.11 3.99 3.52 -1.26 -1.12 118.95 126.70 1av6 s ARG 223 Ca 0.13 1.04 -0.00 0.00 -0.13 0.00 0.00 55.73 56.78 1av6 s ARG 223 Cb -0.10 -2.46 0.02 0.00 -1.56 0.00 0.00 34.95 30.85 1av6 s ARG 223 CO 0.04 0.13 -0.09 0.08 -0.81 0.00 0.00 175.30 174.66 1av6 s VAL 224 N -1.93 1.09 0.44 7.11 1.01 -0.01 -4.96 120.40 123.16 1av6 s VAL 224 Ca 0.55 -0.35 0.07 0.00 0.00 0.00 0.00 61.98 62.25 1av6 s VAL 224 Cb -0.12 -1.09 -0.03 0.00 0.00 0.00 0.00 36.38 35.14 1av6 s VAL 224 CO 0.17 0.38 0.22 0.42 0.00 0.00 0.00 175.10 176.29 1av6 s THR 225 N 1.56 2.13 0.52 3.92 -4.23 -1.26 -2.74 115.64 115.54 1av6 s THR 225 Ca 0.03 -1.66 0.24 0.00 -1.18 0.00 0.00 61.69 59.12 1av6 s THR 225 Cb -0.13 -2.79 0.30 0.00 1.34 0.00 0.00 72.50 71.22 1av6 s THR 225 CO -0.07 0.00 2.16 0.50 -0.54 0.00 0.00 174.62 176.67 1av6 h LYS 226 N 1.27 0.00 -0.43 3.99 3.64 -1.98 0.13 116.57 123.19 1av6 h LYS 226 Ca -0.42 0.00 -0.14 0.00 -1.27 0.00 0.00 60.65 58.83 1av6 h LYS 226 Cb 1.27 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.08 1av6 h LYS 226 CO 0.67 0.05 -0.27 0.77 -2.27 0.00 0.00 179.45 178.40 1av6 h SER 227 N 0.00 0.97 -0.32 4.20 0.02 -1.99 -1.39 113.55 115.03 1av6 h SER 227 Ca -0.00 -0.39 -0.05 0.00 -0.84 0.00 0.00 61.79 60.52 1av6 h SER 227 Cb 0.10 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.36 1av6 h SER 227 CO 0.01 1.17 0.02 0.44 -1.14 0.00 0.00 176.83 177.32 1av6 h ASP 228 N 0.79 0.53 -0.85 3.07 3.32 -1.23 -2.17 116.42 119.89 1av6 h ASP 228 Ca 0.09 -0.29 0.16 0.00 0.02 0.00 0.00 57.03 57.01 1av6 h ASP 228 Cb 0.84 -0.14 -0.10 0.00 0.22 0.00 0.00 39.33 40.15 1av6 h ASP 228 CO 0.07 0.69 0.41 0.00 -1.72 0.00 0.00 179.24 178.70 1av6 h ALA 229 N 0.86 1.29 -0.41 3.45 0.00 -0.68 -0.55 119.26 123.22 1av6 h ALA 229 Ca 0.09 0.11 -0.12 0.00 0.00 0.00 0.00 54.91 54.99 1av6 h ALA 229 Cb 0.41 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1av6 h ALA 229 CO 0.01 -0.16 -0.21 0.28 0.00 0.00 0.00 179.25 179.18 1av6 h VAL 230 N 0.55 1.28 -0.44 0.00 2.07 -0.94 -2.60 116.25 116.17 1av6 h VAL 230 Ca 0.48 -1.35 0.01 0.00 0.82 0.00 0.00 66.70 66.65 1av6 h VAL 230 Cb 0.74 1.27 -0.02 0.00 -1.52 0.00 0.00 31.29 31.75 1av6 h VAL 230 CO -0.40 0.46 0.29 -1.13 0.02 0.00 0.00 177.57 176.80 1av6 h ASN 231 N 0.68 0.50 0.42 0.57 -1.24 -0.54 -0.64 115.58 115.33 1av6 h ASN 231 Ca 0.09 -0.01 -0.01 0.00 0.71 0.00 0.00 56.30 57.08 1av6 h ASN 231 Cb 0.77 -0.12 -0.02 0.00 0.73 0.00 0.00 38.32 39.68 1av6 h ASN 231 CO 0.06 0.36 -0.36 1.88 -1.29 0.00 0.00 177.43 178.08 1av6 h TYR 232 N 0.59 -0.96 -0.62 0.67 0.05 -1.10 0.12 116.97 115.72 1av6 h TYR 232 Ca 0.16 0.00 0.12 0.00 0.05 0.00 0.00 58.73 59.07 1av6 h TYR 232 Cb -0.06 0.36 -0.12 0.00 1.01 0.00 0.00 36.73 37.93 1av6 h TYR 232 CO -0.05 -0.51 -0.18 1.49 -1.05 0.00 0.00 178.16 177.85 1av6 h GLU 233 N -0.78 -0.03 0.50 4.88 4.81 -1.19 0.25 114.58 123.02 1av6 h GLU 233 Ca -0.04 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.18 1av6 h GLU 233 Cb 0.68 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.05 1av6 h GLU 233 CO -0.03 -0.02 -0.38 0.87 -0.73 0.00 0.00 179.01 178.73 1av6 h LYS 234 N -0.03 -0.82 0.47 1.92 6.56 -0.70 0.24 116.57 124.20 1av6 h LYS 234 Ca 0.29 0.06 -0.02 0.00 -1.06 0.00 0.00 60.65 59.91 1av6 h LYS 234 Cb 0.48 0.19 0.00 0.00 -0.57 0.00 0.00 32.23 32.33 1av6 h LYS 234 CO -0.65 -0.55 -0.23 0.87 -2.06 0.00 0.00 179.45 176.83 1av6 h LYS 235 N -0.86 -0.61 -0.97 3.15 1.79 -0.45 0.10 116.57 118.73 1av6 h LYS 235 Ca -0.05 0.04 0.06 0.00 -2.18 0.00 0.00 60.65 58.52 1av6 h LYS 235 Cb 0.73 0.14 -0.06 0.00 -1.58 0.00 0.00 32.23 31.45 1av6 h LYS 235 CO 0.01 -0.36 0.62 0.52 -1.08 0.00 0.00 179.45 179.17 1av6 h MET 236 N -0.74 1.11 -0.22 3.15 2.86 -0.55 -1.25 114.93 119.29 1av6 h MET 236 Ca -0.06 -0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.51 1av6 h MET 236 Cb 0.54 -0.25 -0.01 0.00 0.06 0.00 0.00 31.60 31.94 1av6 h MET 236 CO 0.11 0.73 0.14 -0.92 1.06 0.00 0.00 176.91 178.03 1av6 h TYR 237 N 1.14 0.28 -0.28 -0.22 3.20 -0.95 -1.53 116.97 118.62 1av6 h TYR 237 Ca 0.41 0.00 0.04 0.00 3.14 0.00 0.00 58.73 62.33 1av6 h TYR 237 Cb 0.14 -0.10 -0.04 0.00 1.54 0.00 0.00 36.73 38.28 1av6 h TYR 237 CO -0.01 0.20 0.03 -0.92 -1.64 0.00 0.00 178.16 175.82 1av6 h TYR 238 N 0.29 0.04 -0.52 -3.82 3.20 -1.01 -0.05 116.97 115.10 1av6 h TYR 238 Ca 0.08 0.02 0.05 0.00 3.14 0.00 0.00 58.73 62.02 1av6 h TYR 238 Cb -0.01 0.02 -0.05 0.00 1.54 0.00 0.00 36.73 38.24 1av6 h TYR 238 CO -0.06 -0.01 0.24 1.25 -1.64 0.00 0.00 178.16 177.94 1av6 h LEU 239 N 0.12 0.32 -0.01 2.82 5.85 -0.91 -1.12 115.31 122.38 1av6 h LEU 239 Ca 0.13 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.88 1av6 h LEU 239 Cb 0.16 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.17 1av6 h LEU 239 CO -0.20 0.22 -0.03 0.78 -0.34 0.00 0.00 178.44 178.87 1av6 h ASN 240 N 0.46 0.04 -0.10 1.25 2.35 -0.93 0.16 115.58 118.81 1av6 h ASN 240 Ca 0.24 -0.60 -0.02 0.00 -0.55 0.00 0.00 56.30 55.36 1av6 h ASN 240 Cb 0.18 -0.01 -0.00 0.00 0.05 0.00 0.00 38.32 38.54 1av6 h ASN 240 CO -0.19 0.64 -0.03 0.50 -1.65 0.00 0.00 177.43 176.70 1av6 h LYS 241 N -0.55 0.20 0.00 0.81 3.64 -1.04 -3.33 116.57 116.30 1av6 h LYS 241 Ca -0.00 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.30 1av6 h LYS 241 Cb 0.63 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.44 1av6 h LYS 241 CO 0.01 0.51 0.00 -0.89 -2.27 0.00 0.00 179.45 176.81 1av6 n ILE 242 N -4.76 0.00 -0.28 2.00 2.08 -0.43 -4.28 119.36 113.70 1av6 n ILE 242 Ca -0.06 0.00 -0.07 0.00 0.56 0.00 0.00 62.75 63.17 1av6 n ILE 242 Cb 0.24 -0.53 -0.07 0.00 -0.75 0.00 0.00 39.64 38.53 1av6 n ILE 242 CO 0.00 0.00 0.00 0.52 0.56 0.00 0.00 176.55 177.63 1av6 n VAL 243 N -0.64 -0.45 0.25 1.39 0.31 -1.17 -0.11 118.33 117.91 1av6 n VAL 243 Ca 0.00 1.77 0.08 0.00 -0.01 0.00 0.00 64.34 66.18 1av6 n VAL 243 Cb 0.00 -2.20 0.63 0.00 -0.91 0.00 0.00 33.84 31.36 1av6 n VAL 243 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 1av6 h ARG 244 N 0.00 0.00 -0.97 5.55 3.08 -0.86 -2.45 114.38 118.72 1av6 h ARG 244 Ca 0.10 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.14 1av6 h ARG 244 Cb 0.27 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.31 1av6 h ARG 244 CO -0.62 0.09 0.02 0.09 -1.07 0.00 0.00 179.97 178.48 1av6 n ASN 245 N -4.27 2.01 -4.71 7.04 3.02 0.84 -4.37 115.26 114.82 1av6 n ASN 245 Ca -0.03 -2.11 -0.26 0.00 -0.03 0.00 0.00 54.58 52.15 1av6 n ASN 245 Cb 0.17 -0.52 -0.08 0.00 -0.61 0.00 0.00 39.78 38.73 1av6 n ASN 245 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1av6 s LYS 246 N -0.87 2.14 -0.15 3.52 1.02 -0.93 -4.98 119.74 119.49 1av6 s LYS 246 Ca 0.05 -1.98 0.01 0.00 0.02 0.00 0.00 55.97 54.06 1av6 s LYS 246 Cb 0.04 -1.84 0.02 0.00 -0.52 0.00 0.00 37.83 35.53 1av6 s LYS 246 CO 0.01 -0.14 -0.15 0.08 -0.92 0.00 0.00 175.35 174.23 1av6 s VAL 247 N -2.67 1.67 -0.58 3.17 1.01 -1.26 -2.42 120.40 119.33 1av6 s VAL 247 Ca 0.36 -0.70 -0.24 0.00 0.00 0.00 0.00 61.98 61.40 1av6 s VAL 247 Cb 0.05 -1.55 0.05 0.00 0.00 0.00 0.00 36.38 34.93 1av6 s VAL 247 CO 0.19 0.48 0.96 -0.69 0.00 0.00 0.00 175.10 176.04 1av6 s VAL 248 N 1.42 4.35 0.38 2.92 1.01 0.12 -0.62 120.40 129.98 1av6 s VAL 248 Ca 0.04 0.15 0.27 0.00 0.00 0.00 0.00 61.98 62.44 1av6 s VAL 248 Cb -0.13 -4.58 0.29 0.00 0.00 0.00 0.00 36.38 31.95 1av6 s VAL 248 CO -0.11 -1.21 2.04 -0.37 0.00 0.00 0.00 175.10 175.45 1av6 h VAL 249 N 6.01 0.57 -0.44 2.92 -1.51 -1.29 -2.27 116.25 120.24 1av6 h VAL 249 Ca -0.27 -0.60 0.00 0.00 -1.23 0.00 0.00 66.70 64.61 1av6 h VAL 249 Cb 1.07 1.39 0.00 0.00 -2.13 0.00 0.00 31.29 31.62 1av6 h VAL 249 CO 1.11 0.13 0.00 -0.46 -1.23 0.00 0.00 177.57 177.12 1av6 n ASN 250 N -3.62 2.36 -4.46 4.19 6.94 -1.26 -4.77 115.26 114.64 1av6 n ASN 250 Ca -0.02 -1.99 -0.44 0.00 -0.02 0.00 0.00 54.58 52.11 1av6 n ASN 250 Cb 0.26 -0.29 -0.06 0.00 -2.36 0.00 0.00 39.78 37.32 1av6 n ASN 250 CO 0.00 0.00 0.00 0.12 -1.03 0.00 0.00 177.26 176.35 1av6 s PHE 251 N -1.42 3.05 -0.77 -2.53 5.36 -0.86 -5.00 117.98 115.82 1av6 s PHE 251 Ca 0.30 -0.44 -0.26 0.00 -0.96 0.00 0.00 56.93 55.57 1av6 s PHE 251 Cb 0.15 -3.49 0.04 0.00 -0.34 0.00 0.00 43.02 39.39 1av6 s PHE 251 CO 0.20 -1.00 1.25 0.34 -1.46 0.00 0.00 175.22 174.55 1av6 s ASP 252 N 2.54 6.22 -0.25 6.13 2.15 -1.26 -4.83 116.67 127.37 1av6 s ASP 252 Ca 0.16 -0.71 -0.28 0.00 0.43 0.00 0.00 52.55 52.16 1av6 s ASP 252 Cb -0.18 -2.53 0.16 0.00 -0.30 0.00 0.00 42.92 40.06 1av6 s ASP 252 CO 0.13 -1.71 1.19 -0.47 -0.17 0.00 0.00 175.17 174.14 1av6 s TYR 253 N 5.29 -0.24 0.25 -5.34 5.04 -1.26 -5.07 117.35 116.02 1av6 s TYR 253 Ca 0.34 0.48 -0.11 0.00 -2.44 0.00 0.00 57.07 55.34 1av6 s TYR 253 Cb -0.08 0.45 0.34 0.00 0.35 0.00 0.00 41.96 43.02 1av6 s TYR 253 CO 0.10 -0.17 1.59 -1.35 -1.34 0.00 0.00 175.55 174.38 1av6 h PRO 254 N 2.88 -0.01 -5.42 4.97 0.11 -2.03 -3.34 132.00 129.16 1av6 h PRO 254 Ca -0.19 0.00 -0.63 0.00 0.11 0.00 0.00 66.00 65.29 1av6 h PRO 254 Cb 1.18 0.00 -0.15 0.00 0.11 0.00 0.00 31.00 32.15 1av6 h PRO 254 CO 0.22 -0.01 -0.56 -0.80 -0.21 0.00 0.00 178.00 176.64 1av6 s ASN 255 N -5.25 5.69 -0.10 -2.05 -0.87 -1.26 -4.99 114.94 106.11 1av6 s ASN 255 Ca -0.15 0.14 0.14 0.00 -1.57 0.00 0.00 52.86 51.43 1av6 s ASN 255 Cb 0.23 -1.92 0.41 0.00 -0.02 0.00 0.00 41.25 39.95 1av6 s ASN 255 CO 0.75 0.23 1.33 0.00 -2.57 0.00 0.00 177.10 176.84 1av6 n GLN 256 N 3.15 2.83 -2.37 -0.60 6.02 -1.26 -4.77 117.38 120.38 1av6 n GLN 256 Ca -0.17 -2.47 -0.35 0.00 -0.01 0.00 0.00 57.00 54.00 1av6 n GLN 256 Cb 0.53 -1.57 -0.01 0.00 1.02 0.00 0.00 30.24 30.20 1av6 n GLN 256 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 1av6 s GLU 257 N -2.05 3.54 0.29 -1.09 8.01 -1.26 0.11 118.70 126.24 1av6 s GLU 257 Ca 0.33 1.51 0.04 0.00 0.01 0.00 0.00 54.97 56.86 1av6 s GLU 257 Cb 0.24 -2.04 0.72 0.00 -4.31 0.00 0.00 34.13 28.74 1av6 s GLU 257 CO 0.11 -0.68 1.71 -0.92 0.01 0.00 0.00 175.26 175.49 1av6 h TYR 258 N 1.35 0.74 -0.30 1.61 3.20 -1.68 -0.88 116.97 121.01 1av6 h TYR 258 Ca -0.50 0.04 -0.05 0.00 3.14 0.00 0.00 58.73 61.36 1av6 h TYR 258 Cb 1.25 -0.18 -0.02 0.00 1.54 0.00 0.00 36.73 39.31 1av6 h TYR 258 CO 0.53 0.01 -0.02 -0.44 -1.64 0.00 0.00 178.16 176.61 1av6 h ASP 259 N 0.47 0.44 0.35 -2.11 3.32 -1.89 0.35 116.42 117.35 1av6 h ASP 259 Ca 0.56 -0.08 -0.21 0.00 0.02 0.00 0.00 57.03 57.31 1av6 h ASP 259 Cb 1.02 -0.12 -0.00 0.00 0.22 0.00 0.00 39.33 40.45 1av6 h ASP 259 CO -0.49 0.52 -0.89 1.88 -1.72 0.00 0.00 179.24 178.54 1av6 h TYR 260 N 0.45 0.56 -0.62 4.55 -1.99 -1.55 0.96 116.97 119.34 1av6 h TYR 260 Ca 0.10 -0.29 -0.04 0.00 2.00 0.00 0.00 58.73 60.49 1av6 h TYR 260 Cb 0.33 -0.07 -0.03 0.00 2.00 0.00 0.00 36.73 38.96 1av6 h TYR 260 CO 0.01 1.10 0.23 0.35 -0.00 0.00 0.00 178.16 179.85 1av6 h PHE 261 N 0.23 0.96 -0.37 4.88 3.57 -0.56 -0.52 116.94 125.14 1av6 h PHE 261 Ca -0.07 -0.08 -0.14 0.00 3.53 0.00 0.00 57.97 61.22 1av6 h PHE 261 Cb 1.51 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 39.96 1av6 h PHE 261 CO 0.05 0.77 -0.31 1.25 -2.23 0.00 0.00 178.31 177.85 1av6 h HIS 262 N 0.87 1.01 0.00 0.41 2.76 -0.19 -3.08 115.15 116.94 1av6 h HIS 262 Ca 0.20 -0.29 -0.05 0.00 -2.20 0.00 0.00 60.37 58.03 1av6 h HIS 262 Cb 0.23 -0.22 -0.01 0.00 1.55 0.00 0.00 27.41 28.96 1av6 h HIS 262 CO 0.01 1.08 -0.25 1.98 -1.30 0.00 0.00 177.93 179.46 1av6 h MET 263 N 0.65 0.00 -0.12 5.26 1.85 -0.41 -2.20 114.93 119.96 1av6 h MET 263 Ca 0.07 0.00 -0.13 0.00 -0.61 0.00 0.00 59.70 59.03 1av6 h MET 263 Cb 0.89 0.00 -0.01 0.00 0.43 0.00 0.00 31.60 32.90 1av6 h MET 263 CO 0.08 0.25 -0.49 -0.92 -0.40 0.00 0.00 176.91 175.42 1av6 h TYR 264 N 0.00 0.37 0.00 1.39 5.03 -1.02 0.43 116.97 123.17 1av6 h TYR 264 Ca -0.00 -0.12 0.00 0.00 2.58 0.00 0.00 58.73 61.19 1av6 h TYR 264 Cb 0.63 -0.08 0.00 0.00 1.55 0.00 0.00 36.73 38.84 1av6 h TYR 264 CO 0.00 0.74 0.00 0.74 -1.32 0.00 0.00 178.16 178.32 1av6 h PHE 265 N 0.24 0.00 0.00 -3.82 -1.00 -1.36 -2.77 116.94 108.23 1av6 h PHE 265 Ca 0.01 0.00 -0.11 0.00 2.81 0.00 0.00 57.97 60.68 1av6 h PHE 265 Cb 0.96 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.50 1av6 h PHE 265 CO 0.02 0.00 -0.67 0.52 -1.61 0.00 0.00 178.31 176.57 1av6 h MET 266 N 0.00 0.00 0.00 1.51 2.86 -0.94 -3.38 114.93 114.98 1av6 h MET 266 Ca 0.00 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1av6 h MET 266 Cb 0.94 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.60 1av6 h MET 266 CO 0.00 0.76 -0.00 -0.07 1.06 0.00 0.00 176.91 178.66 1av6 h LEU 267 N -1.00 0.00 -0.12 1.22 3.38 -0.26 -2.07 115.31 116.46 1av6 h LEU 267 Ca -0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.80 1av6 h LEU 267 Cb 0.98 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.73 1av6 h LEU 267 CO -0.10 0.00 -0.03 -2.11 0.09 0.00 0.00 178.44 176.30 1av6 n ARG 268 N -3.35 0.78 0.00 1.13 1.85 -1.05 -3.20 116.66 112.82 1av6 n ARG 268 Ca -0.03 -0.12 0.11 0.00 -1.00 0.00 0.00 57.85 56.81 1av6 n ARG 268 Cb 0.08 -1.50 -0.08 0.00 -1.05 0.00 0.00 32.46 29.91 1av6 n ARG 268 CO 0.00 0.00 0.00 0.25 -0.01 0.00 0.00 177.63 177.87 1av6 n THR 269 N -1.01 0.04 -2.95 8.89 -2.24 -0.78 -4.96 114.28 111.29 1av6 n THR 269 Ca 0.18 -0.19 -0.40 0.00 -2.27 0.00 0.00 64.05 61.37 1av6 n THR 269 Cb 0.21 0.51 -0.06 0.00 -2.10 0.00 0.00 70.33 68.89 1av6 n THR 269 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1av6 s VAL 270 N -3.19 4.34 0.33 2.28 0.11 -1.20 -4.88 120.40 118.21 1av6 s VAL 270 Ca 0.03 1.76 -0.12 0.00 -2.93 0.00 0.00 61.98 60.72 1av6 s VAL 270 Cb 0.15 -4.17 -0.07 0.00 -1.53 0.00 0.00 36.38 30.76 1av6 s VAL 270 CO 0.86 0.51 0.70 -0.31 -3.33 0.00 0.00 175.10 173.53 1av6 s TYR 271 N -1.09 3.42 0.06 1.54 2.02 -1.26 -5.08 117.35 116.97 1av6 s TYR 271 Ca 0.37 1.05 0.02 0.00 -0.37 0.00 0.00 57.07 58.14 1av6 s TYR 271 Cb -0.23 -2.42 -0.03 0.00 -0.40 0.00 0.00 41.96 38.88 1av6 s TYR 271 CO 0.27 0.06 -0.08 0.00 -1.57 0.00 0.00 175.55 174.23 1av6 n ASN 273 N 1.04 0.20 -4.86 0.00 6.94 -1.26 -4.83 115.26 112.49 1av6 n ASN 273 Ca -0.20 -0.49 -0.24 0.00 -0.02 0.00 0.00 54.58 53.63 1av6 n ASN 273 Cb 0.56 -0.15 -0.04 0.00 -2.36 0.00 0.00 39.78 37.79 1av6 n ASN 273 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 1av6 s LYS 274 N -2.41 3.07 -0.04 -3.83 1.02 -1.26 -5.11 119.74 111.19 1av6 s LYS 274 Ca 0.33 -0.88 -0.14 0.00 0.02 0.00 0.00 55.97 55.29 1av6 s LYS 274 Cb 0.21 -2.70 -0.05 0.00 -0.52 0.00 0.00 37.83 34.76 1av6 s LYS 274 CO 0.45 0.45 0.38 0.99 -0.92 0.00 0.00 175.35 176.69 1av6 s THR 275 N -1.93 5.12 -0.03 2.17 2.01 -1.26 -5.09 115.64 116.63 1av6 s THR 275 Ca 0.33 0.76 0.02 0.00 0.31 0.00 0.00 61.69 63.11 1av6 s THR 275 Cb -0.09 -3.68 0.01 0.00 0.01 0.00 0.00 72.50 68.74 1av6 s THR 275 CO 0.26 0.54 -0.08 -0.36 -0.69 0.00 0.00 174.62 174.28 1av6 s PHE 276 N -0.76 0.93 0.29 4.92 0.08 -1.26 -5.05 117.98 117.13 1av6 s PHE 276 Ca 0.22 -0.25 0.19 0.00 0.12 0.00 0.00 56.93 57.22 1av6 s PHE 276 Cb -0.16 -0.69 0.88 0.00 -0.57 0.00 0.00 43.02 42.49 1av6 s PHE 276 CO 0.11 -0.13 1.85 -1.00 -0.10 0.00 0.00 175.22 175.95 1av6 h PRO 277 N 6.56 0.00 -4.12 0.24 0.13 -1.98 -3.46 132.00 129.36 1av6 h PRO 277 Ca -0.34 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.66 1av6 h PRO 277 Cb 1.17 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.16 1av6 h PRO 277 CO 0.48 0.31 -0.50 0.95 -0.23 0.00 0.00 178.00 179.01 1av6 s THR 278 N -3.93 0.12 0.03 1.56 -4.23 -1.26 -5.04 115.64 102.89 1av6 s THR 278 Ca -0.02 -1.60 -0.26 0.00 -1.18 0.00 0.00 61.69 58.64 1av6 s THR 278 Cb 0.13 -1.78 -0.17 0.00 1.34 0.00 0.00 72.50 72.01 1av6 s THR 278 CO 0.67 -0.52 1.43 0.74 -0.54 0.00 0.00 174.62 176.40 1av6 h THR 279 N 2.79 0.87 -0.84 3.99 2.02 -2.00 -2.37 112.91 117.37 1av6 h THR 279 Ca -0.34 -0.47 0.15 0.00 0.77 0.00 0.00 66.41 66.52 1av6 h THR 279 Cb 1.20 1.15 -0.06 0.00 -1.74 0.00 0.00 68.15 68.70 1av6 h THR 279 CO 0.56 0.11 0.55 0.50 0.37 0.00 0.00 175.52 177.60 1av6 h LYS 280 N -0.51 0.56 0.82 6.66 3.64 -1.98 0.22 116.57 125.99 1av6 h LYS 280 Ca -0.03 -0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.28 1av6 h LYS 280 Cb 0.39 -0.13 0.01 0.00 -0.41 0.00 0.00 32.23 32.08 1av6 h LYS 280 CO 0.05 0.37 -0.41 0.00 -2.27 0.00 0.00 179.45 177.19 1av6 h ALA 281 N 1.62 -1.13 -0.33 5.00 0.00 -1.91 0.48 119.26 122.99 1av6 h ALA 281 Ca 0.42 -0.24 0.05 0.00 0.00 0.00 0.00 54.91 55.13 1av6 h ALA 281 Cb 0.77 0.45 -0.04 0.00 0.00 0.00 0.00 17.79 18.97 1av6 h ALA 281 CO -0.17 -1.14 0.07 -0.22 0.00 0.00 0.00 179.25 177.80 1av6 h LYS 282 N -1.12 0.19 -0.22 0.00 3.64 -0.76 -1.37 116.57 116.93 1av6 h LYS 282 Ca -0.11 -0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.30 1av6 h LYS 282 Cb 0.87 -0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 32.60 1av6 h LYS 282 CO 0.18 0.12 -0.09 0.28 -2.27 0.00 0.00 179.45 177.68 1av6 h VAL 283 N 0.19 0.71 -0.72 2.00 2.07 -0.51 0.20 116.25 120.20 1av6 h VAL 283 Ca 0.15 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.78 1av6 h VAL 283 Cb 0.16 0.71 -0.08 0.00 -1.52 0.00 0.00 31.29 30.57 1av6 h VAL 283 CO -0.19 0.00 0.35 -0.07 0.02 0.00 0.00 177.57 177.67 1av6 h LEU 284 N -0.05 0.44 0.38 2.57 3.38 -0.31 -0.17 115.31 121.55 1av6 h LEU 284 Ca 0.11 0.07 -0.02 0.00 0.09 0.00 0.00 57.88 58.13 1av6 h LEU 284 Cb 0.22 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.97 1av6 h LEU 284 CO -0.25 0.24 -0.18 0.15 0.09 0.00 0.00 178.44 178.49 1av6 h PHE 285 N 0.58 -0.47 0.02 1.13 3.04 -0.09 -1.28 116.94 119.87 1av6 h PHE 285 Ca 0.36 -0.01 0.01 0.00 3.98 0.00 0.00 57.97 62.31 1av6 h PHE 285 Cb 0.41 0.15 -0.02 0.00 2.56 0.00 0.00 35.95 39.06 1av6 h PHE 285 CO -0.11 -0.18 -0.09 -0.07 -2.02 0.00 0.00 178.31 175.84 1av6 h LEU 286 N -0.70 -0.24 -1.10 0.59 3.38 -0.38 -0.95 115.31 115.91 1av6 h LEU 286 Ca -0.05 0.03 0.11 0.00 0.09 0.00 0.00 57.88 58.06 1av6 h LEU 286 Cb 0.49 0.10 -0.08 0.00 0.09 0.00 0.00 40.66 41.27 1av6 h LEU 286 CO 0.08 -0.13 0.61 -0.61 0.09 0.00 0.00 178.44 178.49 1av6 h GLN 287 N -0.16 0.92 0.53 1.13 4.15 -1.06 -0.78 115.11 119.84 1av6 h GLN 287 Ca 0.03 -0.06 -0.03 0.00 0.77 0.00 0.00 58.65 59.37 1av6 h GLN 287 Cb 0.19 -0.21 0.01 0.00 0.21 0.00 0.00 27.48 27.68 1av6 h GLN 287 CO -0.07 0.61 -0.25 1.96 -1.93 0.00 0.00 178.83 179.14 1av6 h GLN 288 N 0.95 -0.69 -0.74 1.69 4.20 -0.56 -0.99 115.11 118.96 1av6 h GLN 288 Ca 0.46 0.05 0.01 0.00 0.06 0.00 0.00 58.65 59.23 1av6 h GLN 288 Cb 0.46 0.16 -0.04 0.00 0.30 0.00 0.00 27.48 28.36 1av6 h GLN 288 CO -0.22 -0.42 0.49 0.66 -0.67 0.00 0.00 178.83 178.67 1av6 h SER 289 N -0.80 0.83 0.33 1.46 4.64 -0.78 0.62 113.55 119.85 1av6 h SER 289 Ca -0.07 -0.02 -0.01 0.00 -0.47 0.00 0.00 61.79 61.22 1av6 h SER 289 Cb 0.58 -0.20 0.00 0.00 -0.31 0.00 0.00 62.40 62.47 1av6 h SER 289 CO 0.12 0.59 -0.17 0.40 -0.87 0.00 0.00 176.83 176.90 1av6 h ILE 290 N 0.98 0.64 -0.27 0.95 2.04 -1.13 -0.30 117.51 120.43 1av6 h ILE 290 Ca 0.28 0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.16 1av6 h ILE 290 Cb -0.08 0.64 -0.02 0.00 -0.74 0.00 0.00 36.82 36.62 1av6 h ILE 290 CO -0.07 0.00 0.13 -0.26 0.00 0.00 0.00 178.15 177.94 1av6 h PHE 291 N -0.47 0.24 -0.55 1.37 -1.00 -0.98 -0.24 116.94 115.31 1av6 h PHE 291 Ca -0.04 0.01 -0.04 0.00 2.81 0.00 0.00 57.97 60.71 1av6 h PHE 291 Cb 0.37 -0.07 -0.02 0.00 3.61 0.00 0.00 35.95 39.84 1av6 h PHE 291 CO -0.06 0.13 0.20 0.00 -1.61 0.00 0.00 178.31 176.97 1av6 h ARG 292 N 0.28 0.83 -0.84 1.51 2.47 -0.84 0.20 114.38 117.98 1av6 h ARG 292 Ca 0.11 -0.16 -0.02 0.00 -1.26 0.00 0.00 59.98 58.65 1av6 h ARG 292 Cb 0.04 -0.13 -0.04 0.00 -1.65 0.00 0.00 29.97 28.19 1av6 h ARG 292 CO -0.08 0.74 0.43 0.35 0.56 0.00 0.00 179.97 181.97 1av6 h PHE 293 N 0.75 1.18 -0.01 3.04 3.57 -0.83 -2.01 116.94 122.64 1av6 h PHE 293 Ca 0.18 -0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.64 1av6 h PHE 293 Cb 0.23 -0.37 0.00 0.00 2.79 0.00 0.00 35.95 38.60 1av6 h PHE 293 CO 0.01 0.84 -0.02 -0.11 -2.23 0.00 0.00 178.31 176.80 1av6 n LEU 294 N -4.35 0.95 -1.69 0.59 7.94 -0.12 -4.93 117.00 115.39 1av6 n LEU 294 Ca 0.08 -0.30 -0.18 0.00 -1.11 0.00 0.00 56.01 54.51 1av6 n LEU 294 Cb 0.12 -0.02 -0.04 0.00 0.53 0.00 0.00 43.42 44.00 1av6 n LEU 294 CO 0.39 0.16 -0.20 0.59 -1.11 0.00 0.00 177.39 177.22 1av6 n ASN 295 N -0.30 -5.16 -4.62 1.96 3.02 0.01 -4.87 115.26 105.29 1av6 n ASN 295 Ca 0.20 0.22 -0.39 0.00 -0.03 0.00 0.00 54.58 54.58 1av6 n ASN 295 Cb 0.27 -4.23 -0.09 0.00 -0.61 0.00 0.00 39.78 35.12 1av6 n ASN 295 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1av6 s ILE 296 N -2.77 5.21 -2.00 2.41 1.01 0.49 -4.98 121.20 120.57 1av6 s ILE 296 Ca 0.00 0.53 0.22 0.00 0.00 0.00 0.00 60.65 61.40 1av6 s ILE 296 Cb 0.00 -3.67 0.64 0.00 0.01 0.00 0.00 42.46 39.44 1av6 s ILE 296 CO 0.00 0.20 1.71 -0.81 0.00 0.00 0.00 174.94 176.04