#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qt6 s VAL 2 N 0.00 2.17 0.00 0.00 -7.23 -0.40 -4.96 120.40 109.98 2qt6 s VAL 2 Ca 0.00 -2.26 0.00 0.00 -1.81 0.00 0.00 61.98 57.91 2qt6 s VAL 2 Cb 0.00 -2.43 0.00 0.00 0.56 0.00 0.00 36.38 34.51 2qt6 s VAL 2 CO 0.00 -0.33 0.00 0.61 -0.31 0.00 0.00 175.10 175.07 2qt6 n GLY 3 N -0.66 1.74 0.08 2.32 0.00 -1.26 -0.78 105.19 106.64 2qt6 n GLY 3 Ca -0.05 -2.02 0.11 0.00 0.00 0.00 0.00 46.02 44.06 2qt6 n GLY 3 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2qt6 n PRO 4 N 1.25 0.15 -3.89 1.61 -0.04 -1.15 -4.72 135.00 128.21 2qt6 n PRO 4 Ca 0.00 0.29 -0.35 0.00 -0.04 0.00 0.00 63.50 63.40 2qt6 n PRO 4 Cb 0.00 -1.74 -0.14 0.00 -0.04 0.00 0.00 33.50 31.59 2qt6 n PRO 4 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2qt6 s VAL 5 N -3.16 3.60 -0.08 0.52 1.01 -1.26 -0.94 120.40 120.08 2qt6 s VAL 5 Ca 0.07 -0.42 -0.30 0.00 0.00 0.00 0.00 61.98 61.34 2qt6 s VAL 5 Cb 0.11 -2.65 0.11 0.00 0.00 0.00 0.00 36.38 33.95 2qt6 s VAL 5 CO 0.43 0.41 0.88 0.00 0.00 0.00 0.00 175.10 176.82 2qt6 s ALA 6 N 1.47 -1.86 -0.00 5.51 0.00 -0.82 -4.99 121.76 121.07 2qt6 s ALA 6 Ca 0.06 1.34 -0.21 0.00 0.00 0.00 0.00 51.96 53.15 2qt6 s ALA 6 Cb -0.14 -0.20 -0.05 0.00 0.00 0.00 0.00 23.12 22.72 2qt6 s ALA 6 CO -0.01 -0.44 0.60 -0.51 0.00 0.00 0.00 175.76 175.40 2qt6 s ASP 7 N -1.55 6.98 -0.32 0.00 1.01 -1.26 -0.90 116.67 120.63 2qt6 s ASP 7 Ca -0.02 1.17 -0.00 0.00 0.71 0.00 0.00 52.55 54.40 2qt6 s ASP 7 Cb -0.01 -2.37 0.07 0.00 1.01 0.00 0.00 42.92 41.63 2qt6 s ASP 7 CO 0.00 0.10 0.02 -0.76 0.21 0.00 0.00 175.17 174.74 2qt6 s LEU 8 N -0.17 4.18 -0.25 1.23 1.43 0.43 -4.92 118.68 120.62 2qt6 s LEU 8 Ca 0.31 -1.55 -0.12 0.00 -1.03 0.00 0.00 54.13 51.74 2qt6 s LEU 8 Cb -0.18 -1.69 -0.05 0.00 0.03 0.00 0.00 46.19 44.30 2qt6 s LEU 8 CO 0.17 -0.32 0.24 -0.89 0.23 0.00 0.00 176.35 175.78 2qt6 s THR 9 N 1.16 5.29 -0.22 5.49 2.01 -1.26 -0.79 115.64 127.33 2qt6 s THR 9 Ca -0.01 0.32 -0.07 0.00 0.31 0.00 0.00 61.69 62.24 2qt6 s THR 9 Cb -0.20 -3.57 -0.03 0.00 0.01 0.00 0.00 72.50 68.70 2qt6 s THR 9 CO -0.03 0.28 0.05 -0.69 -0.69 0.00 0.00 174.62 173.54 2qt6 s VAL 10 N 1.45 4.41 0.26 3.82 1.01 0.37 -0.62 120.40 131.09 2qt6 s VAL 10 Ca 0.10 -0.15 0.01 0.00 0.00 0.00 0.00 61.98 61.94 2qt6 s VAL 10 Cb -0.15 -3.02 -0.04 0.00 0.00 0.00 0.00 36.38 33.17 2qt6 s VAL 10 CO 0.08 0.40 0.12 0.42 0.00 0.00 0.00 175.10 176.12 2qt6 s THR 11 N 1.05 0.36 -0.01 3.92 -4.23 -0.25 -0.63 115.64 115.85 2qt6 s THR 11 Ca 0.04 -2.00 -0.08 0.00 -1.18 0.00 0.00 61.69 58.47 2qt6 s THR 11 Cb -0.14 -2.57 -0.05 0.00 1.34 0.00 0.00 72.50 71.08 2qt6 s THR 11 CO 0.03 0.00 0.26 0.20 -0.54 0.00 0.00 174.62 174.57 2qt6 s ASN 12 N -3.30 6.52 0.05 3.99 -0.87 -1.26 -1.08 114.94 119.00 2qt6 s ASN 12 Ca 0.38 0.60 -0.20 0.00 -1.57 0.00 0.00 52.86 52.06 2qt6 s ASN 12 Cb 0.07 -2.11 0.05 0.00 -0.02 0.00 0.00 41.25 39.24 2qt6 s ASN 12 CO 0.15 0.29 0.47 0.00 -2.57 0.00 0.00 177.10 175.44 2qt6 s ALA 13 N -1.23 -1.19 -0.19 0.60 0.00 -0.78 -4.90 121.76 114.08 2qt6 s ALA 13 Ca 0.25 0.44 -0.18 0.00 0.00 0.00 0.00 51.96 52.47 2qt6 s ALA 13 Cb -0.13 0.40 -0.03 0.00 0.00 0.00 0.00 23.12 23.36 2qt6 s ALA 13 CO 0.14 -0.50 0.49 -0.80 0.00 0.00 0.00 175.76 175.09 2qt6 s ASN 14 N -2.06 6.56 0.19 0.00 0.01 -1.26 -0.46 114.94 117.92 2qt6 s ASN 14 Ca -0.05 0.68 0.04 0.00 -0.71 0.00 0.00 52.86 52.83 2qt6 s ASN 14 Cb -0.01 -2.28 -0.05 0.00 0.41 0.00 0.00 41.25 39.32 2qt6 s ASN 14 CO -0.03 -0.14 -0.07 0.27 -1.51 0.00 0.00 177.10 175.62 2qt6 s ILE 15 N 1.43 1.19 -0.38 0.60 -4.36 0.03 -4.91 121.20 114.80 2qt6 s ILE 15 Ca 0.24 -2.07 0.12 0.00 -0.26 0.00 0.00 60.65 58.68 2qt6 s ILE 15 Cb -0.15 -2.06 0.36 0.00 1.25 0.00 0.00 42.46 41.86 2qt6 s ILE 15 CO 0.09 -0.57 0.77 1.33 0.24 0.00 0.00 174.94 176.81 2qt6 n VAL 16 N -0.30 0.21 0.26 8.37 0.24 -1.26 -0.94 118.33 124.91 2qt6 n VAL 16 Ca -0.08 -4.49 0.13 0.00 -2.04 0.00 0.00 64.34 57.86 2qt6 n VAL 16 Cb 0.62 -0.24 0.73 0.00 -1.47 0.00 0.00 33.84 33.47 2qt6 n VAL 16 CO 0.00 0.00 0.00 1.55 -2.14 0.00 0.00 176.83 176.24 2qt6 h PRO 17 N 2.99 0.00 -0.15 7.34 0.13 -1.83 -1.58 132.00 138.90 2qt6 h PRO 17 Ca 0.08 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.21 2qt6 h PRO 17 Cb 0.96 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.09 2qt6 h PRO 17 CO 0.53 0.11 0.00 -0.40 -0.23 0.00 0.00 178.00 178.01 2qt6 n ASP 18 N -3.64 3.14 0.00 1.44 5.68 -1.26 -3.10 116.55 118.81 2qt6 n ASP 18 Ca -0.02 -2.95 0.00 0.00 -0.50 0.00 0.00 54.79 51.33 2qt6 n ASP 18 Cb 0.24 -0.46 0.00 0.00 -1.14 0.00 0.00 41.12 39.76 2qt6 n ASP 18 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2qt6 n GLY 19 N -0.82 1.21 3.45 6.12 0.00 -0.59 -4.33 105.19 110.22 2qt6 n GLY 19 Ca 0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 2qt6 n GLY 19 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2qt6 s PHE 20 N -2.79 2.91 -0.12 1.61 5.36 -1.26 -5.02 117.98 118.68 2qt6 s PHE 20 Ca 0.00 -0.40 -0.21 0.00 -0.96 0.00 0.00 56.93 55.35 2qt6 s PHE 20 Cb 0.00 -1.87 -0.03 0.00 -0.34 0.00 0.00 43.02 40.78 2qt6 s PHE 20 CO 0.00 -0.06 0.62 -2.00 -1.46 0.00 0.00 175.22 172.32 2qt6 s GLU 21 N 0.19 4.35 0.06 10.12 2.12 -1.26 -4.17 118.70 130.11 2qt6 s GLU 21 Ca -0.05 0.69 -0.06 0.00 0.36 0.00 0.00 54.97 55.91 2qt6 s GLU 21 Cb -0.14 -3.48 -0.01 0.00 0.26 0.00 0.00 34.13 30.75 2qt6 s GLU 21 CO 0.04 0.01 0.12 -0.98 -0.54 0.00 0.00 175.26 173.91 2qt6 s ARG 22 N 1.06 0.71 0.26 4.30 1.70 -0.11 -4.94 118.95 121.92 2qt6 s ARG 22 Ca 0.32 -0.91 -0.29 0.00 -0.47 0.00 0.00 55.73 54.37 2qt6 s ARG 22 Cb -0.16 0.28 -0.09 0.00 -0.57 0.00 0.00 34.95 34.40 2qt6 s ARG 22 CO 0.14 -0.19 1.24 0.00 -1.08 0.00 0.00 175.30 175.41 2qt6 s ALA 23 N -3.36 3.48 0.34 7.88 0.00 -1.26 -0.79 121.76 128.04 2qt6 s ALA 23 Ca 0.01 1.09 0.00 0.00 0.00 0.00 0.00 51.96 53.06 2qt6 s ALA 23 Cb 0.03 -3.44 0.00 0.00 0.00 0.00 0.00 23.12 19.72 2qt6 s ALA 23 CO -0.08 -0.46 0.43 0.00 0.00 0.00 0.00 175.76 175.65 2qt6 n ALA 24 N 1.68 -0.13 -2.83 0.00 0.00 0.40 -4.94 120.51 114.69 2qt6 n ALA 24 Ca 0.02 -1.63 -0.35 0.00 0.00 0.00 0.00 53.44 51.49 2qt6 n ALA 24 Cb 0.43 1.31 -0.10 0.00 0.00 0.00 0.00 19.45 21.09 2qt6 n ALA 24 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2qt6 s ILE 25 N -2.90 4.52 0.16 0.00 1.01 0.18 -1.86 121.20 122.31 2qt6 s ILE 25 Ca 0.30 -0.14 0.08 0.00 0.00 0.00 0.00 60.65 60.89 2qt6 s ILE 25 Cb -0.00 -2.99 -0.04 0.00 0.01 0.00 0.00 42.46 39.43 2qt6 s ILE 25 CO 0.21 0.51 -0.17 0.68 0.00 0.00 0.00 174.94 176.17 2qt6 s VAL 26 N 0.01 1.76 -0.12 2.92 -7.23 -0.24 -4.05 120.40 113.47 2qt6 s VAL 26 Ca 0.04 -1.93 0.03 0.00 -1.81 0.00 0.00 61.98 58.31 2qt6 s VAL 26 Cb -0.13 -1.83 0.01 0.00 0.56 0.00 0.00 36.38 34.99 2qt6 s VAL 26 CO 0.01 -0.35 -0.22 -0.69 -0.31 0.00 0.00 175.10 173.55 2qt6 s VAL 27 N -2.15 1.96 -1.67 1.32 1.01 -1.03 -1.09 120.40 118.75 2qt6 s VAL 27 Ca 0.16 -0.94 -0.17 0.00 0.00 0.00 0.00 61.98 61.03 2qt6 s VAL 27 Cb -0.05 -1.72 0.14 0.00 0.00 0.00 0.00 36.38 34.75 2qt6 s VAL 27 CO 0.06 0.53 0.77 0.59 0.00 0.00 0.00 175.10 177.06 2qt6 n ASN 28 N 3.86 -3.15 -0.65 3.32 4.13 0.21 -1.41 115.26 121.57 2qt6 n ASN 28 Ca -0.20 -0.99 -0.08 0.00 1.68 0.00 0.00 54.58 54.98 2qt6 n ASN 28 Cb 0.52 -2.86 -0.04 0.00 -1.54 0.00 0.00 39.78 35.86 2qt6 n ASN 28 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 2qt6 n ASN 29 N -2.70 -4.83 -4.21 6.41 3.02 -1.26 -4.98 115.26 106.71 2qt6 n ASN 29 Ca 0.04 0.21 -0.16 0.00 -0.03 0.00 0.00 54.58 54.64 2qt6 n ASN 29 Cb 0.51 -3.07 -0.11 0.00 -0.61 0.00 0.00 39.78 36.50 2qt6 n ASN 29 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 2qt6 s VAL 30 N -2.04 1.12 -0.04 2.41 -7.23 -0.50 -5.04 120.40 109.08 2qt6 s VAL 30 Ca 0.00 -1.69 0.01 0.00 -1.81 0.00 0.00 61.98 58.50 2qt6 s VAL 30 Cb 0.00 -1.45 0.02 0.00 0.56 0.00 0.00 36.38 35.51 2qt6 s VAL 30 CO 0.00 -0.50 -0.06 0.12 -0.31 0.00 0.00 175.10 174.35 2qt6 s PHE 31 N -2.33 0.84 1.20 2.82 2.19 -1.26 -2.47 117.98 118.96 2qt6 s PHE 31 Ca 0.07 -0.24 -0.13 0.00 0.33 0.00 0.00 56.93 56.96 2qt6 s PHE 31 Cb -0.04 -0.70 0.30 0.00 -1.31 0.00 0.00 43.02 41.28 2qt6 s PHE 31 CO 0.01 -0.18 1.01 -2.30 1.83 0.00 0.00 175.22 175.59 2qt6 n PRO 32 N 3.90 -2.62 -1.43 10.12 -0.02 -1.26 -4.77 135.00 138.92 2qt6 n PRO 32 Ca -0.24 -0.74 -0.36 0.00 -2.02 0.00 0.00 63.50 60.14 2qt6 n PRO 32 Cb 0.51 -2.16 0.09 0.00 -0.02 0.00 0.00 33.50 31.92 2qt6 n PRO 32 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2qt6 n ALA 33 N -5.05 0.12 -1.75 3.55 0.00 0.16 -4.90 120.51 112.65 2qt6 n ALA 33 Ca 0.02 -0.15 -0.37 0.00 0.00 0.00 0.00 53.44 52.94 2qt6 n ALA 33 Cb 0.54 -2.18 0.04 0.00 0.00 0.00 0.00 19.45 17.85 2qt6 n ALA 33 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2qt6 s PRO 34 N -3.39 3.04 0.07 0.00 0.04 -1.26 -4.13 135.00 129.37 2qt6 s PRO 34 Ca 0.76 2.08 -0.31 0.00 0.04 0.00 0.00 61.00 63.57 2qt6 s PRO 34 Cb -0.35 -2.12 -0.09 0.00 0.04 0.00 0.00 34.50 31.98 2qt6 s PRO 34 CO 0.48 -1.22 1.77 -1.17 0.04 0.00 0.00 177.00 176.90 2qt6 s LEU 35 N -3.76 4.39 -0.12 -3.56 2.96 -1.26 -4.48 118.68 112.84 2qt6 s LEU 35 Ca 0.74 2.60 -0.10 0.00 -0.22 0.00 0.00 54.13 57.15 2qt6 s LEU 35 Cb -0.37 -3.56 -0.05 0.00 0.50 0.00 0.00 46.19 42.72 2qt6 s LEU 35 CO 0.42 -0.96 0.20 -0.63 -1.32 0.00 0.00 176.35 174.06 2qt6 s ILE 36 N 3.08 5.39 0.10 6.68 1.01 -0.98 -1.28 121.20 135.20 2qt6 s ILE 36 Ca 0.79 0.35 0.03 0.00 0.00 0.00 0.00 60.65 61.81 2qt6 s ILE 36 Cb -0.42 -3.49 -0.04 0.00 0.01 0.00 0.00 42.46 38.52 2qt6 s ILE 36 CO 0.35 0.55 -0.08 0.42 0.00 0.00 0.00 174.94 176.17 2qt6 s THR 37 N -0.55 0.81 0.00 2.92 -4.23 0.04 -0.84 115.64 113.79 2qt6 s THR 37 Ca 0.15 -1.77 0.00 0.00 -1.18 0.00 0.00 61.69 58.89 2qt6 s THR 37 Cb -0.13 -1.49 0.00 0.00 1.34 0.00 0.00 72.50 72.22 2qt6 s THR 37 CO 0.04 -0.71 0.00 0.61 -0.54 0.00 0.00 174.62 174.02 2qt6 n GLY 38 N 0.28 1.31 3.57 3.99 0.00 -1.03 -2.91 105.19 110.40 2qt6 n GLY 38 Ca -0.14 -0.90 -0.24 0.00 0.00 0.00 0.00 46.02 44.74 2qt6 n GLY 38 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2qt6 s ASN 39 N -0.81 4.13 0.07 1.61 0.02 -1.26 -0.97 114.94 117.72 2qt6 s ASN 39 Ca 0.00 -0.83 -0.37 0.00 -1.02 0.00 0.00 52.86 50.64 2qt6 s ASN 39 Cb 0.00 -0.60 -0.18 0.00 0.02 0.00 0.00 41.25 40.50 2qt6 s ASN 39 CO 0.00 -0.00 1.22 0.80 0.02 0.00 0.00 177.10 179.14 2qt6 n MET 40 N -0.79 0.79 0.00 -0.60 0.00 -0.28 -1.14 117.12 115.11 2qt6 n MET 40 Ca -0.06 0.28 0.00 0.00 -0.00 0.00 0.00 57.70 57.93 2qt6 n MET 40 Cb 0.60 -1.85 0.00 0.00 0.00 0.00 0.00 33.22 31.96 2qt6 n MET 40 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2qt6 n GLY 41 N 2.15 2.11 3.70 -5.12 0.00 -0.44 -4.95 105.19 102.63 2qt6 n GLY 41 Ca 0.18 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.87 2qt6 n GLY 41 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2qt6 s ASP 42 N -2.89 3.65 -0.42 1.61 1.01 -0.29 -4.34 116.67 115.01 2qt6 s ASP 42 Ca 0.00 2.40 -0.19 0.00 0.71 0.00 0.00 52.55 55.47 2qt6 s ASP 42 Cb 0.00 -2.59 0.02 0.00 1.01 0.00 0.00 42.92 41.36 2qt6 s ASP 42 CO 0.00 -2.63 0.55 0.21 0.21 0.00 0.00 175.17 173.52 2qt6 s ASN 43 N -2.08 6.28 -0.05 0.27 2.47 -1.26 -1.88 114.94 118.70 2qt6 s ASN 43 Ca 0.74 -0.39 -0.25 0.00 0.42 0.00 0.00 52.86 53.38 2qt6 s ASN 43 Cb -0.30 -2.28 -0.04 0.00 -1.45 0.00 0.00 41.25 37.19 2qt6 s ASN 43 CO 0.50 -0.66 0.76 -0.36 -3.72 0.00 0.00 177.10 173.61 2qt6 s PHE 44 N 2.52 3.61 -0.47 0.43 0.40 0.84 -4.63 117.98 120.68 2qt6 s PHE 44 Ca 0.18 1.35 0.03 0.00 -0.60 0.00 0.00 56.93 57.89 2qt6 s PHE 44 Cb -0.15 -2.86 0.14 0.00 0.51 0.00 0.00 43.02 40.65 2qt6 s PHE 44 CO 0.16 0.09 0.25 -0.65 0.70 0.00 0.00 175.22 175.77 2qt6 s GLN 45 N 0.77 1.50 -0.38 0.44 -0.21 -0.11 -1.18 119.66 120.48 2qt6 s GLN 45 Ca 0.40 -2.21 -0.09 0.00 0.02 0.00 0.00 55.36 53.48 2qt6 s GLN 45 Cb -0.19 -2.61 0.05 0.00 1.00 0.00 0.00 33.01 31.27 2qt6 s GLN 45 CO 0.20 -1.16 0.20 -0.51 -2.12 0.00 0.00 175.29 171.90 2qt6 s LEU 46 N 0.12 4.78 -0.46 2.90 1.43 0.09 -1.94 118.68 125.61 2qt6 s LEU 46 Ca 0.18 -1.24 -0.20 0.00 -1.03 0.00 0.00 54.13 51.84 2qt6 s LEU 46 Cb -0.23 -1.97 0.03 0.00 0.03 0.00 0.00 46.19 44.05 2qt6 s LEU 46 CO -0.01 -0.43 0.63 0.21 0.23 0.00 0.00 176.35 176.98 2qt6 s ASN 47 N 1.73 6.29 -0.33 2.29 2.47 -0.08 -1.14 114.94 126.17 2qt6 s ASN 47 Ca 0.01 -0.51 -0.25 0.00 0.42 0.00 0.00 52.86 52.54 2qt6 s ASN 47 Cb -0.21 -2.31 0.01 0.00 -1.45 0.00 0.00 41.25 37.29 2qt6 s ASN 47 CO 0.04 -0.80 0.86 -0.22 -3.72 0.00 0.00 177.10 173.26 2qt6 s LEU 48 N 2.74 4.05 -0.38 3.21 1.98 -0.21 -0.43 118.68 129.64 2qt6 s LEU 48 Ca 0.20 0.68 -0.06 0.00 -2.89 0.00 0.00 54.13 52.06 2qt6 s LEU 48 Cb -0.15 -3.19 0.07 0.00 0.66 0.00 0.00 46.19 43.58 2qt6 s LEU 48 CO 0.17 -0.72 0.18 -0.69 -1.89 0.00 0.00 176.35 173.40 2qt6 s VAL 49 N 3.19 3.80 -0.36 1.68 1.01 0.03 -0.72 120.40 129.03 2qt6 s VAL 49 Ca 0.36 -1.46 -0.19 0.00 0.00 0.00 0.00 61.98 60.69 2qt6 s VAL 49 Cb -0.13 -3.32 0.00 0.00 0.00 0.00 0.00 36.38 32.93 2qt6 s VAL 49 CO 0.15 -0.42 0.54 0.21 0.00 0.00 0.00 175.10 175.58 2qt6 s ASN 50 N 1.79 6.33 -0.10 3.32 2.47 -0.49 -0.48 114.94 127.78 2qt6 s ASN 50 Ca 0.02 -0.05 0.15 0.00 0.42 0.00 0.00 52.86 53.40 2qt6 s ASN 50 Cb -0.22 -2.28 0.23 0.00 -1.45 0.00 0.00 41.25 37.53 2qt6 s ASN 50 CO 0.01 -0.53 1.11 0.00 -3.72 0.00 0.00 177.10 173.97 2qt6 n GLN 51 N 5.83 1.14 -1.98 0.43 6.02 0.20 -0.14 117.38 128.89 2qt6 n GLN 51 Ca -0.04 -2.25 -0.38 0.00 -0.01 0.00 0.00 57.00 54.32 2qt6 n GLN 51 Cb 0.49 -1.30 0.02 0.00 1.02 0.00 0.00 30.24 30.46 2qt6 n GLN 51 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.06 174.41 2qt6 s MET 52 N -2.29 3.43 0.00 -1.09 -1.94 -1.14 -4.64 119.30 111.63 2qt6 s MET 52 Ca 0.25 2.06 0.00 0.00 -1.71 0.00 0.00 55.69 56.29 2qt6 s MET 52 Cb 0.22 -2.35 0.00 0.00 2.01 0.00 0.00 34.83 34.71 2qt6 s MET 52 CO 0.02 -0.90 0.00 0.25 -0.01 0.00 0.00 175.02 174.38 2qt6 n THR 53 N -0.74 0.00 -2.92 2.05 -2.24 -1.26 -4.82 114.28 104.34 2qt6 n THR 53 Ca 0.09 -0.14 -0.43 0.00 -2.27 0.00 0.00 64.05 61.30 2qt6 n THR 53 Cb 0.46 0.61 -0.05 0.00 -2.10 0.00 0.00 70.33 69.25 2qt6 n THR 53 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 2qt6 s ASN 54 N -1.46 6.36 0.44 3.42 3.84 -1.26 -4.91 114.94 121.38 2qt6 s ASN 54 Ca 0.00 -0.30 0.11 0.00 0.21 0.00 0.00 52.86 52.88 2qt6 s ASN 54 Cb 0.00 -2.40 0.98 0.00 -0.55 0.00 0.00 41.25 39.28 2qt6 s ASN 54 CO 0.00 -1.06 2.04 1.12 -2.79 0.00 0.00 177.10 176.42 2qt6 h HIS 55 N 9.13 0.25 -0.03 0.43 2.07 -1.88 -2.39 115.15 122.73 2qt6 h HIS 55 Ca -0.26 -0.00 -0.12 0.00 -2.85 0.00 0.00 60.37 57.14 2qt6 h HIS 55 Cb 1.08 -0.08 -0.02 0.00 2.57 0.00 0.00 27.41 30.97 2qt6 h HIS 55 CO 0.85 0.23 -0.56 1.15 -3.07 0.00 0.00 177.93 176.52 2qt6 h THR 56 N 0.25 1.39 -0.14 6.12 2.02 -1.92 -2.18 112.91 118.45 2qt6 h THR 56 Ca 0.06 -1.90 0.00 0.00 0.77 0.00 0.00 66.41 65.34 2qt6 h THR 56 Cb 0.10 2.00 0.00 0.00 -1.74 0.00 0.00 68.15 68.51 2qt6 h THR 56 CO -0.00 0.55 0.00 0.23 0.37 0.00 0.00 175.52 176.67 2qt6 n MET 57 N -3.89 2.05 -0.29 6.66 2.81 -1.08 -4.67 117.12 118.71 2qt6 n MET 57 Ca -0.02 -1.55 0.00 0.00 -1.81 0.00 0.00 57.70 54.32 2qt6 n MET 57 Cb 0.57 -1.46 0.00 0.00 -0.71 0.00 0.00 33.22 31.62 2qt6 n MET 57 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 2qt6 n LEU 58 N 0.82 -1.97 0.18 4.03 4.77 -0.82 -4.85 117.00 119.16 2qt6 n LEU 58 Ca 0.17 0.00 0.09 0.00 -0.03 0.00 0.00 56.01 56.24 2qt6 n LEU 58 Cb 0.47 -0.19 0.11 0.00 -2.33 0.00 0.00 43.42 41.48 2qt6 n LEU 58 CO 0.15 0.00 0.62 0.11 -1.33 0.00 0.00 177.39 176.94 2qt6 h LYS 59 N 0.00 0.00 -6.79 3.23 1.57 -1.34 -3.46 116.57 109.77 2qt6 h LYS 59 Ca 0.00 0.00 -0.45 0.00 -1.87 0.00 0.00 60.65 58.33 2qt6 h LYS 59 Cb 0.00 0.00 0.04 0.00 0.08 0.00 0.00 32.23 32.35 2qt6 h LYS 59 CO 0.00 0.16 -0.05 0.95 -0.57 0.00 0.00 179.45 179.94 2qt6 s THR 60 N -3.14 3.37 0.24 -0.16 -4.23 -1.26 -3.67 115.64 106.79 2qt6 s THR 60 Ca 0.05 -0.54 -0.17 0.00 -1.18 0.00 0.00 61.69 59.85 2qt6 s THR 60 Cb 0.06 -3.26 0.02 0.00 1.34 0.00 0.00 72.50 70.65 2qt6 s THR 60 CO 0.70 -0.19 0.58 0.28 -0.54 0.00 0.00 174.62 175.45 2qt6 s THR 61 N -2.68 0.01 -0.15 3.99 -1.32 -0.83 -4.91 115.64 109.74 2qt6 s THR 61 Ca 0.53 -1.05 -0.14 0.00 -1.21 0.00 0.00 61.69 59.81 2qt6 s THR 61 Cb -0.10 -1.92 0.04 0.00 -1.51 0.00 0.00 72.50 69.01 2qt6 s THR 61 CO 0.39 -0.04 0.41 -0.55 -2.21 0.00 0.00 174.62 172.62 2qt6 s SER 62 N -2.93 -0.43 -0.11 8.08 0.15 -1.26 0.10 113.70 117.29 2qt6 s SER 62 Ca 0.14 0.82 0.01 0.00 0.70 0.00 0.00 55.95 57.63 2qt6 s SER 62 Cb -0.03 0.84 -0.02 0.00 -1.71 0.00 0.00 66.02 65.11 2qt6 s SER 62 CO 0.04 -0.15 -0.15 -0.63 1.20 0.00 0.00 173.24 173.56 2qt6 s ILE 63 N 0.20 2.92 -0.11 6.45 -1.09 -1.26 -0.46 121.20 127.85 2qt6 s ILE 63 Ca -0.00 -0.73 -0.04 0.00 -2.23 0.00 0.00 60.65 57.66 2qt6 s ILE 63 Cb -0.03 -2.19 -0.04 0.00 -1.58 0.00 0.00 42.46 38.62 2qt6 s ILE 63 CO 0.01 0.54 0.04 -2.28 -1.23 0.00 0.00 174.94 172.02 2qt6 s HIS 64 N 0.12 3.27 -0.53 3.97 5.65 -0.17 -3.75 115.29 123.84 2qt6 s HIS 64 Ca -0.07 0.24 -0.09 0.00 0.25 0.00 0.00 55.06 55.39 2qt6 s HIS 64 Cb -0.15 -1.86 0.14 0.00 -1.18 0.00 0.00 32.58 29.52 2qt6 s HIS 64 CO 0.05 0.48 0.41 -1.58 -0.65 0.00 0.00 174.74 173.46 2qt6 s TRP 65 N -0.73 3.45 -0.14 3.88 0.52 -1.25 -1.36 118.94 123.31 2qt6 s TRP 65 Ca 0.12 -1.96 -0.29 0.00 0.02 0.00 0.00 56.10 53.99 2qt6 s TRP 65 Cb -0.12 -3.52 -0.02 0.00 -1.15 0.00 0.00 33.47 28.66 2qt6 s TRP 65 CO 0.02 -0.98 1.24 -1.58 0.02 0.00 0.00 176.95 175.68 2qt6 s HIS 66 N 1.07 2.94 0.00 -1.98 2.46 0.14 -2.70 115.29 117.22 2qt6 s HIS 66 Ca 0.08 1.07 0.00 0.00 0.47 0.00 0.00 55.06 56.68 2qt6 s HIS 66 Cb -0.24 -3.48 0.00 0.00 -0.13 0.00 0.00 32.58 28.73 2qt6 s HIS 66 CO -0.02 -1.58 0.00 0.41 -2.47 0.00 0.00 174.74 171.09 2qt6 n GLY 67 N 3.54 0.12 3.75 1.59 0.00 -1.26 -3.68 105.19 109.25 2qt6 n GLY 67 Ca 0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.75 2qt6 n GLY 67 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2qt6 s PHE 68 N -2.00 3.76 0.34 1.61 0.08 -1.10 -4.87 117.98 115.80 2qt6 s PHE 68 Ca 0.00 1.53 0.16 0.00 0.12 0.00 0.00 56.93 58.74 2qt6 s PHE 68 Cb 0.00 -2.85 0.84 0.00 -0.57 0.00 0.00 43.02 40.44 2qt6 s PHE 68 CO 0.00 0.28 1.85 0.74 -0.10 0.00 0.00 175.22 177.99 2qt6 h PHE 69 N 5.54 0.00 -4.52 0.36 0.04 -1.91 -3.40 116.94 113.05 2qt6 h PHE 69 Ca -0.44 0.00 -0.39 0.00 2.80 0.00 0.00 57.97 59.94 2qt6 h PHE 69 Cb 1.21 0.00 0.02 0.00 2.20 0.00 0.00 35.95 39.38 2qt6 h PHE 69 CO 0.65 0.33 -0.58 1.04 -0.60 0.00 0.00 178.31 179.16 2qt6 n GLN 70 N -3.91 -4.16 -2.23 1.51 1.13 -1.26 -4.50 117.38 103.97 2qt6 n GLN 70 Ca -0.02 0.81 -0.42 0.00 -1.94 0.00 0.00 57.00 55.43 2qt6 n GLN 70 Cb 0.40 -5.61 -0.03 0.00 0.11 0.00 0.00 30.24 25.11 2qt6 n GLN 70 CO 0.00 0.00 0.00 0.21 -1.44 0.00 0.00 177.06 175.83 2qt6 s LYS 71 N -5.68 4.25 0.00 -1.09 2.20 -1.26 -0.84 119.74 117.32 2qt6 s LYS 71 Ca 0.28 1.93 0.00 0.00 -0.36 0.00 0.00 55.97 57.82 2qt6 s LYS 71 Cb -0.13 -3.73 0.00 0.00 -1.51 0.00 0.00 37.83 32.46 2qt6 s LYS 71 CO 0.35 -0.67 0.00 0.41 -0.36 0.00 0.00 175.35 175.07 2qt6 n GLY 72 N 3.75 1.82 2.59 5.54 0.00 -1.26 -4.88 105.19 112.75 2qt6 n GLY 72 Ca 0.14 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.03 2qt6 n GLY 72 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2qt6 n THR 73 N -2.00 1.50 0.18 2.61 -2.24 -0.02 -4.38 114.28 109.93 2qt6 n THR 73 Ca 0.00 -3.59 0.12 0.00 -2.27 0.00 0.00 64.05 58.31 2qt6 n THR 73 Cb 0.00 0.15 0.66 0.00 -2.10 0.00 0.00 70.33 69.04 2qt6 n THR 73 CO 0.00 0.00 0.00 -1.13 -0.57 0.00 0.00 175.07 173.37 2qt6 h ASN 74 N 2.77 0.00 0.48 3.42 -0.73 -1.85 -0.62 115.58 119.04 2qt6 h ASN 74 Ca 0.03 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.20 2qt6 h ASN 74 Cb 1.16 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.75 2qt6 h ASN 74 CO 0.55 0.00 0.00 4.11 -0.37 0.00 0.00 177.43 181.72 2qt6 h TRP 75 N 0.00 0.00 -0.12 0.67 5.08 -1.90 -2.26 115.95 117.42 2qt6 h TRP 75 Ca 0.07 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.04 2qt6 h TRP 75 Cb 0.30 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.46 2qt6 h TRP 75 CO 0.00 0.00 0.00 0.00 -1.28 0.00 0.00 178.44 177.16 2qt6 n ALA 76 N -1.82 2.48 0.05 0.11 0.00 -0.24 -4.58 120.51 116.51 2qt6 n ALA 76 Ca 0.01 -0.70 -0.06 0.00 0.00 0.00 0.00 53.44 52.68 2qt6 n ALA 76 Cb 0.16 -0.91 0.12 0.00 0.00 0.00 0.00 19.45 18.83 2qt6 n ALA 76 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 2qt6 h ASP 77 N 4.03 0.41 0.00 0.00 3.58 -1.51 -3.44 116.42 119.49 2qt6 h ASP 77 Ca 0.00 -0.21 0.00 0.00 0.42 0.00 0.00 57.03 57.24 2qt6 h ASP 77 Cb 0.87 -0.12 0.00 0.00 1.72 0.00 0.00 39.33 41.80 2qt6 h ASP 77 CO 0.00 0.85 0.00 0.61 -2.88 0.00 0.00 179.24 177.82 2qt6 n GLY 78 N 0.11 3.16 3.69 -0.78 0.00 -1.25 -3.85 105.19 106.27 2qt6 n GLY 78 Ca -0.02 -1.07 -0.51 0.00 0.00 0.00 0.00 46.02 44.42 2qt6 n GLY 78 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2qt6 n PRO 79 N 0.00 1.83 -1.93 1.61 -0.02 -1.26 -4.28 135.00 130.96 2qt6 n PRO 79 Ca 0.00 0.67 -0.42 0.00 -2.02 0.00 0.00 63.50 61.73 2qt6 n PRO 79 Cb 0.00 -2.45 -0.03 0.00 -0.02 0.00 0.00 33.50 31.00 2qt6 n PRO 79 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2qt6 s ALA 80 N 3.48 3.77 0.00 3.55 0.00 -0.75 -0.96 121.76 130.85 2qt6 s ALA 80 Ca 0.93 1.38 0.00 0.00 0.00 0.00 0.00 51.96 54.27 2qt6 s ALA 80 Cb -0.81 -3.62 0.00 0.00 0.00 0.00 0.00 23.12 18.69 2qt6 s ALA 80 CO 0.54 -0.79 0.00 1.19 0.00 0.00 0.00 175.76 176.70 2qt6 n PHE 81 N 3.68 0.00 -0.07 0.00 3.72 0.91 -4.75 117.46 120.95 2qt6 n PHE 81 Ca 0.13 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.40 2qt6 n PHE 81 Cb 0.38 -0.58 -0.04 0.00 -0.94 0.00 0.00 39.48 38.30 2qt6 n PHE 81 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 176.76 175.82 2qt6 n ILE 82 N -2.24 1.25 0.21 4.37 2.08 -0.56 -2.04 119.36 122.42 2qt6 n ILE 82 Ca 0.00 0.00 0.05 0.00 0.56 0.00 0.00 62.75 63.36 2qt6 n ILE 82 Cb 0.06 -1.95 -0.07 0.00 -0.75 0.00 0.00 39.64 36.94 2qt6 n ILE 82 CO 0.00 0.00 0.00 0.59 0.56 0.00 0.00 176.55 177.70 2qt6 n ASN 83 N -4.02 1.65 -3.68 4.38 4.13 -0.13 -0.88 115.26 116.72 2qt6 n ASN 83 Ca -0.22 -0.35 -0.06 0.00 1.68 0.00 0.00 54.58 55.63 2qt6 n ASN 83 Cb 0.54 1.23 -0.02 0.00 -1.54 0.00 0.00 39.78 40.00 2qt6 n ASN 83 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2qt6 s GLN 84 N -2.30 1.19 0.40 3.52 -2.07 -1.22 -4.58 119.66 114.59 2qt6 s GLN 84 Ca -0.00 -0.60 -0.12 0.00 -1.82 0.00 0.00 55.36 52.82 2qt6 s GLN 84 Cb 0.07 0.45 -0.07 0.00 -1.09 0.00 0.00 33.01 32.36 2qt6 s GLN 84 CO 0.40 -0.54 0.78 0.00 -1.32 0.00 0.00 175.29 174.60 2qt6 s PRO 86 N -3.69 2.05 -0.05 0.00 0.02 -1.26 -4.83 135.00 127.23 2qt6 s PRO 86 Ca 0.52 1.76 -0.24 0.00 0.02 0.00 0.00 61.00 63.06 2qt6 s PRO 86 Cb -0.10 -1.82 -0.04 0.00 0.02 0.00 0.00 34.50 32.56 2qt6 s PRO 86 CO 0.29 -1.91 0.71 0.42 -0.33 0.00 0.00 177.00 176.18 2qt6 s ILE 87 N -2.02 5.01 0.48 2.83 1.01 0.11 -4.64 121.20 123.99 2qt6 s ILE 87 Ca 0.74 1.47 -0.20 0.00 0.00 0.00 0.00 60.65 62.66 2qt6 s ILE 87 Cb -0.29 -4.05 -0.08 0.00 0.01 0.00 0.00 42.46 38.05 2qt6 s ILE 87 CO 0.46 0.27 1.05 0.00 0.00 0.00 0.00 174.94 176.72 2qt6 s ALA 88 N 0.69 2.87 0.34 9.38 0.00 -1.26 -1.97 121.76 131.81 2qt6 s ALA 88 Ca 0.38 0.64 -0.28 0.00 0.00 0.00 0.00 51.96 52.69 2qt6 s ALA 88 Cb -0.18 -3.27 -0.10 0.00 0.00 0.00 0.00 23.12 19.57 2qt6 s ALA 88 CO 0.19 -0.35 1.34 0.45 0.00 0.00 0.00 175.76 177.38 2qt6 s SER 89 N -1.92 6.67 0.00 0.00 0.15 -1.24 -1.83 113.70 115.52 2qt6 s SER 89 Ca 0.67 2.75 0.00 0.00 0.70 0.00 0.00 55.95 60.07 2qt6 s SER 89 Cb -0.18 -2.65 0.00 0.00 -1.71 0.00 0.00 66.02 61.48 2qt6 s SER 89 CO 0.21 -0.61 0.00 0.61 1.20 0.00 0.00 173.24 174.65 2qt6 n GLY 90 N 0.73 1.15 3.70 9.45 0.00 0.81 -5.00 105.19 116.03 2qt6 n GLY 90 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 2qt6 n GLY 90 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2qt6 s ASN 91 N -2.91 4.70 0.26 1.61 0.02 -0.76 -4.97 114.94 112.89 2qt6 s ASN 91 Ca 0.00 -0.67 0.11 0.00 -1.02 0.00 0.00 52.86 51.27 2qt6 s ASN 91 Cb 0.00 -0.84 -0.05 0.00 0.02 0.00 0.00 41.25 40.38 2qt6 s ASN 91 CO 0.00 -0.14 -0.11 -0.44 0.02 0.00 0.00 177.10 176.42 2qt6 s SER 92 N -3.77 4.05 -0.12 -1.22 0.01 -1.26 -1.40 113.70 109.99 2qt6 s SER 92 Ca 0.34 -0.81 -0.05 0.00 1.31 0.00 0.00 55.95 56.74 2qt6 s SER 92 Cb -0.05 -0.57 0.05 0.00 0.21 0.00 0.00 66.02 65.67 2qt6 s SER 92 CO 0.22 0.04 0.26 0.12 0.41 0.00 0.00 173.24 174.28 2qt6 s PHE 93 N -2.30 -0.38 -0.34 2.43 5.36 0.10 -4.98 117.98 117.88 2qt6 s PHE 93 Ca 0.29 0.89 -0.21 0.00 -0.96 0.00 0.00 56.93 56.94 2qt6 s PHE 93 Cb -0.06 0.03 0.00 0.00 -0.34 0.00 0.00 43.02 42.65 2qt6 s PHE 93 CO 0.17 -0.29 0.68 -1.17 -1.46 0.00 0.00 175.22 173.15 2qt6 s LEU 94 N 1.71 4.18 -0.24 6.12 2.96 -1.26 -1.04 118.68 131.10 2qt6 s LEU 94 Ca -0.05 0.32 -0.22 0.00 -0.22 0.00 0.00 54.13 53.96 2qt6 s LEU 94 Cb -0.11 -2.87 -0.01 0.00 0.50 0.00 0.00 46.19 43.70 2qt6 s LEU 94 CO -0.09 -0.59 0.71 -0.31 -1.32 0.00 0.00 176.35 174.75 2qt6 s TYR 95 N 2.78 3.30 -0.28 5.38 1.51 -0.29 -4.95 117.35 124.80 2qt6 s TYR 95 Ca 0.27 0.95 -0.01 0.00 -1.01 0.00 0.00 57.07 57.27 2qt6 s TYR 95 Cb -0.14 -2.92 0.09 0.00 -0.11 0.00 0.00 41.96 38.88 2qt6 s TYR 95 CO 0.14 -0.34 0.07 0.34 -1.11 0.00 0.00 175.55 174.66 2qt6 s ASP 96 N 1.39 3.79 0.26 2.29 3.68 -1.26 -0.73 116.67 126.10 2qt6 s ASP 96 Ca 0.30 -1.44 -0.04 0.00 2.13 0.00 0.00 52.55 53.50 2qt6 s ASP 96 Cb -0.15 -0.83 -0.02 0.00 -1.45 0.00 0.00 42.92 40.47 2qt6 s ASP 96 CO 0.08 -0.38 0.33 0.72 0.13 0.00 0.00 175.17 176.05 2qt6 s PHE 97 N 1.65 0.97 0.21 -5.34 -0.12 -0.32 -5.00 117.98 110.04 2qt6 s PHE 97 Ca 0.06 -1.20 0.09 0.00 -0.05 0.00 0.00 56.93 55.83 2qt6 s PHE 97 Cb -0.17 -0.25 -0.05 0.00 -0.63 0.00 0.00 43.02 41.92 2qt6 s PHE 97 CO -0.21 -0.88 -0.18 -0.65 -0.05 0.00 0.00 175.22 173.26 2qt6 s GLN 98 N -3.79 1.42 -0.53 1.99 -0.21 -1.26 -0.11 119.66 117.16 2qt6 s GLN 98 Ca 0.32 -1.58 0.06 0.00 0.02 0.00 0.00 55.36 54.18 2qt6 s GLN 98 Cb 0.03 -1.40 0.36 0.00 1.00 0.00 0.00 33.01 33.00 2qt6 s GLN 98 CO 0.15 0.26 0.98 1.33 -2.12 0.00 0.00 175.29 175.89 2qt6 n VAL 99 N -0.19 2.73 -1.88 1.09 0.24 -0.79 -4.70 118.33 114.82 2qt6 n VAL 99 Ca -0.09 -5.35 -0.41 0.00 -2.04 0.00 0.00 64.34 56.45 2qt6 n VAL 99 Cb 0.59 -1.28 -0.01 0.00 -1.47 0.00 0.00 33.84 31.67 2qt6 n VAL 99 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 2qt6 s PRO 100 N -3.44 4.17 0.00 7.34 0.04 -1.26 -1.33 135.00 140.52 2qt6 s PRO 100 Ca 0.48 2.48 0.00 0.00 0.04 0.00 0.00 61.00 64.00 2qt6 s PRO 100 Cb 0.31 -3.00 0.00 0.00 0.04 0.00 0.00 34.50 31.85 2qt6 s PRO 100 CO -0.15 -0.46 0.00 0.41 0.04 0.00 0.00 177.00 176.84 2qt6 n GLY 101 N 0.82 0.61 3.30 0.56 0.00 -1.26 -4.86 105.19 104.36 2qt6 n GLY 101 Ca 0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.73 2qt6 n GLY 101 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2qt6 s GLN 102 N -0.35 2.20 -0.28 1.61 -0.21 -1.12 -5.06 119.66 116.45 2qt6 s GLN 102 Ca 0.00 -0.92 -0.20 0.00 0.02 0.00 0.00 55.36 54.26 2qt6 s GLN 102 Cb 0.00 -2.06 0.09 0.00 1.00 0.00 0.00 33.01 32.04 2qt6 s GLN 102 CO 0.00 0.51 0.76 0.00 -2.12 0.00 0.00 175.29 174.44 2qt6 s ALA 103 N -0.50 -1.89 0.00 6.09 0.00 -1.26 -4.23 121.76 119.97 2qt6 s ALA 103 Ca 0.07 2.21 0.00 0.00 0.00 0.00 0.00 51.96 54.24 2qt6 s ALA 103 Cb -0.11 -1.36 0.00 0.00 0.00 0.00 0.00 23.12 21.65 2qt6 s ALA 103 CO 0.00 -0.35 0.00 0.41 0.00 0.00 0.00 175.76 175.82 2qt6 n GLY 104 N 3.46 -0.25 3.37 0.00 0.00 0.40 -4.68 105.19 107.49 2qt6 n GLY 104 Ca -0.17 -1.18 -0.34 0.00 0.00 0.00 0.00 46.02 44.33 2qt6 n GLY 104 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2qt6 s THR 105 N -3.20 3.42 0.08 2.61 2.01 -1.26 -1.72 115.64 117.58 2qt6 s THR 105 Ca 0.00 -0.50 0.01 0.00 0.31 0.00 0.00 61.69 61.51 2qt6 s THR 105 Cb 0.00 -2.51 -0.01 0.00 0.01 0.00 0.00 72.50 70.00 2qt6 s THR 105 CO 0.00 0.47 0.05 0.49 -0.69 0.00 0.00 174.62 174.94 2qt6 n PHE 106 N 4.12 -0.08 -3.83 4.92 3.72 0.56 -3.60 117.46 123.27 2qt6 n PHE 106 Ca -0.18 -0.62 -0.08 0.00 -0.05 0.00 0.00 57.45 56.51 2qt6 n PHE 106 Cb 0.52 0.04 0.01 0.00 -0.94 0.00 0.00 39.48 39.10 2qt6 n PHE 106 CO 0.00 0.00 0.00 1.67 -0.05 0.00 0.00 176.76 178.38 2qt6 s TRP 107 N -2.12 0.06 0.01 1.38 1.48 -1.24 -1.47 118.94 117.05 2qt6 s TRP 107 Ca 0.07 -0.67 -0.04 0.00 -1.06 0.00 0.00 56.10 54.40 2qt6 s TRP 107 Cb 0.00 0.78 -0.01 0.00 -1.16 0.00 0.00 33.47 33.08 2qt6 s TRP 107 CO 0.05 -1.47 0.05 1.52 -4.06 0.00 0.00 176.95 173.04 2qt6 s TYR 108 N -2.77 0.16 0.02 1.66 1.13 0.12 0.27 117.35 117.94 2qt6 s TYR 108 Ca 0.15 -0.35 -0.28 0.00 -1.41 0.00 0.00 57.07 55.18 2qt6 s TYR 108 Cb -0.05 -0.13 0.08 0.00 -1.10 0.00 0.00 41.96 40.76 2qt6 s TYR 108 CO 0.10 -0.25 0.72 -3.38 -2.51 0.00 0.00 175.55 170.24 2qt6 s HIS 109 N -1.51 -0.53 0.41 -3.49 -3.43 -0.46 -1.42 115.29 104.86 2qt6 s HIS 109 Ca -0.15 0.64 -0.25 0.00 -0.80 0.00 0.00 55.06 54.50 2qt6 s HIS 109 Cb -0.08 0.49 -0.11 0.00 -1.43 0.00 0.00 32.58 31.45 2qt6 s HIS 109 CO -0.00 -0.66 1.05 0.45 -2.00 0.00 0.00 174.74 173.58 2qt6 n SER 110 N 0.24 1.45 -2.20 7.38 2.88 -0.20 -1.00 113.62 122.17 2qt6 n SER 110 Ca -0.16 1.06 -0.19 0.00 -1.33 0.00 0.00 58.87 58.25 2qt6 n SER 110 Cb 0.61 -1.37 0.03 0.00 -0.75 0.00 0.00 64.21 62.72 2qt6 n SER 110 CO 0.00 0.00 0.00 1.57 -1.23 0.00 0.00 175.04 175.38 2qt6 n HIS 111 N -0.40 2.48 -4.06 0.66 -0.00 0.39 -4.33 115.22 109.95 2qt6 n HIS 111 Ca 0.09 -2.25 -0.33 0.00 0.46 0.00 0.00 57.72 55.69 2qt6 n HIS 111 Cb 0.39 -0.31 -0.15 0.00 -0.12 0.00 0.00 29.99 29.80 2qt6 n HIS 111 CO 0.00 0.00 0.00 -1.17 0.46 0.00 0.00 176.34 175.63 2qt6 s LEU 112 N -3.63 2.67 0.00 0.27 2.96 -1.26 -1.81 118.68 117.88 2qt6 s LEU 112 Ca 0.46 -0.84 0.00 0.00 -0.22 0.00 0.00 54.13 53.53 2qt6 s LEU 112 Cb 0.39 -1.55 0.00 0.00 0.50 0.00 0.00 46.19 45.53 2qt6 s LEU 112 CO 0.01 -0.07 0.00 -0.24 -1.32 0.00 0.00 176.35 174.74 2qt6 n SER 113 N 4.60 0.00 -1.85 3.68 2.88 -1.26 -1.80 113.62 119.87 2qt6 n SER 113 Ca -0.18 0.00 -0.03 0.00 -1.33 0.00 0.00 58.87 57.33 2qt6 n SER 113 Cb 0.48 0.00 0.30 0.00 -0.75 0.00 0.00 64.21 64.23 2qt6 n SER 113 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 2qt6 n THR 114 N 0.00 2.62 0.08 2.46 -2.24 -1.26 -4.67 114.28 111.27 2qt6 n THR 114 Ca 0.00 -1.39 0.05 0.00 -2.27 0.00 0.00 64.05 60.44 2qt6 n THR 114 Cb 0.00 -0.38 0.49 0.00 -2.10 0.00 0.00 70.33 68.34 2qt6 n THR 114 CO 0.00 0.00 0.00 -0.61 -0.57 0.00 0.00 175.07 173.89 2qt6 h GLN 115 N 2.70 0.37 0.00 -0.78 4.15 -1.68 -1.94 115.11 117.92 2qt6 h GLN 115 Ca 0.18 -0.02 -0.02 0.00 0.77 0.00 0.00 58.65 59.55 2qt6 h GLN 115 Cb 2.09 -0.08 -0.00 0.00 0.21 0.00 0.00 27.48 29.70 2qt6 h GLN 115 CO 0.61 0.25 -0.12 0.10 -1.93 0.00 0.00 178.83 177.75 2qt6 h TYR 116 N 0.38 0.00 -0.41 3.99 -0.00 -1.79 -1.73 116.97 117.40 2qt6 h TYR 116 Ca 0.10 0.00 -0.04 0.00 0.00 0.00 0.00 58.73 58.79 2qt6 h TYR 116 Cb -0.03 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 36.68 2qt6 h TYR 116 CO 0.00 0.12 0.09 0.00 -0.00 0.00 0.00 178.16 178.37 2qt6 n ASP 118 N -4.31 0.00 0.00 0.00 8.00 -0.65 -4.81 116.55 114.77 2qt6 n ASP 118 Ca 0.03 -0.64 0.00 0.00 0.71 0.00 0.00 54.79 54.89 2qt6 n ASP 118 Cb 0.20 -0.05 0.00 0.00 -0.02 0.00 0.00 41.12 41.25 2qt6 n ASP 118 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2qt6 n GLY 119 N 0.56 0.69 3.49 0.44 0.00 -0.43 -0.65 105.19 109.29 2qt6 n GLY 119 Ca 0.17 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.76 2qt6 n GLY 119 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2qt6 n LEU 120 N 0.00 5.16 -3.64 0.99 0.00 -1.13 -4.43 117.00 113.96 2qt6 n LEU 120 Ca 0.00 -4.26 -0.11 0.00 0.00 0.00 0.00 56.01 51.64 2qt6 n LEU 120 Cb 0.00 -1.67 -0.07 0.00 0.00 0.00 0.00 43.42 41.68 2qt6 n LEU 120 CO 0.00 0.53 0.37 0.00 0.00 0.00 0.00 177.39 178.29 2qt6 s ARG 121 N 2.53 0.76 0.25 1.96 1.70 -1.26 -1.03 118.95 123.85 2qt6 s ARG 121 Ca 0.47 1.09 -0.21 0.00 -0.47 0.00 0.00 55.73 56.61 2qt6 s ARG 121 Cb 0.00 0.27 0.05 0.00 -0.57 0.00 0.00 34.95 34.70 2qt6 s ARG 121 CO 0.03 -0.12 0.88 0.20 -1.08 0.00 0.00 175.30 175.20 2qt6 s GLY 122 N 1.00 0.02 0.57 3.88 0.00 -0.50 -0.66 107.32 111.61 2qt6 s GLY 122 Ca -0.05 -0.28 -0.07 0.00 0.00 0.00 0.00 44.72 44.31 2qt6 s GLY 122 CO -0.09 0.40 0.90 2.56 0.00 0.00 0.00 173.10 176.87 2qt6 s PRO 123 N -2.98 3.28 -0.19 2.90 0.04 -1.26 -0.70 135.00 136.10 2qt6 s PRO 123 Ca 0.15 0.27 -0.05 0.00 0.04 0.00 0.00 61.00 61.41 2qt6 s PRO 123 Cb -0.04 -2.25 0.09 0.00 0.04 0.00 0.00 34.50 32.35 2qt6 s PRO 123 CO 0.06 -0.52 0.34 0.12 0.04 0.00 0.00 177.00 177.04 2qt6 s PHE 124 N -2.98 -0.63 -0.07 0.56 2.19 -0.54 -2.31 117.98 114.20 2qt6 s PHE 124 Ca 0.52 1.02 0.05 0.00 0.33 0.00 0.00 56.93 58.86 2qt6 s PHE 124 Cb -0.11 0.05 -0.01 0.00 -1.31 0.00 0.00 43.02 41.64 2qt6 s PHE 124 CO 0.48 -0.52 -0.24 0.08 1.83 0.00 0.00 175.22 176.84 2qt6 s VAL 125 N 2.50 2.09 -0.26 3.12 1.01 -0.02 -0.32 120.40 128.52 2qt6 s VAL 125 Ca 0.04 -1.04 -0.01 0.00 0.00 0.00 0.00 61.98 60.97 2qt6 s VAL 125 Cb -0.13 -1.77 0.04 0.00 0.00 0.00 0.00 36.38 34.51 2qt6 s VAL 125 CO -0.12 0.57 -0.06 -0.69 0.00 0.00 0.00 175.10 174.80 2qt6 s VAL 126 N -0.02 2.77 0.40 2.92 1.01 -0.70 -2.48 120.40 124.30 2qt6 s VAL 126 Ca -0.08 -1.21 -0.15 0.00 0.00 0.00 0.00 61.98 60.55 2qt6 s VAL 126 Cb -0.15 -2.48 -0.08 0.00 0.00 0.00 0.00 36.38 33.67 2qt6 s VAL 126 CO 0.05 0.10 0.82 -0.31 0.00 0.00 0.00 175.10 175.76 2qt6 s TYR 127 N 1.27 3.41 -0.29 5.22 2.02 -0.15 -0.46 117.35 128.38 2qt6 s TYR 127 Ca -0.02 1.26 -0.03 0.00 -0.37 0.00 0.00 57.07 57.91 2qt6 s TYR 127 Cb -0.18 -2.59 0.04 0.00 -0.40 0.00 0.00 41.96 38.82 2qt6 s TYR 127 CO -0.04 -0.09 0.00 0.34 -1.57 0.00 0.00 175.55 174.19 2qt6 s ASP 128 N -2.71 4.79 0.48 2.29 -1.08 -1.26 -1.12 116.67 118.07 2qt6 s ASP 128 Ca 0.55 -1.06 0.32 0.00 -0.52 0.00 0.00 52.55 51.84 2qt6 s ASP 128 Cb -0.10 -1.74 1.76 0.00 -1.46 0.00 0.00 42.92 41.39 2qt6 s ASP 128 CO 0.24 -0.22 2.00 1.55 0.52 0.00 0.00 175.17 179.26 2qt6 h PRO 129 N 8.06 0.00 -0.39 4.34 0.13 -1.97 -1.51 132.00 140.66 2qt6 h PRO 129 Ca -0.26 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.58 2qt6 h PRO 129 Cb 1.09 0.00 -0.23 0.00 0.13 0.00 0.00 31.00 31.99 2qt6 h PRO 129 CO 0.56 0.00 -0.67 0.09 -0.23 0.00 0.00 178.00 177.75 2qt6 n ASN 130 N -2.64 3.37 -4.69 1.44 4.13 -1.26 -5.06 115.26 110.54 2qt6 n ASN 130 Ca -0.02 -3.80 -0.53 0.00 1.68 0.00 0.00 54.58 51.91 2qt6 n ASN 130 Cb 0.05 -0.43 -0.06 0.00 -1.54 0.00 0.00 39.78 37.80 2qt6 n ASN 130 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 2qt6 n ASP 131 N -0.89 2.80 0.15 6.41 -0.08 -0.57 -4.81 116.55 119.55 2qt6 n ASP 131 Ca 0.32 1.04 0.11 0.00 -1.51 0.00 0.00 54.79 54.75 2qt6 n ASP 131 Cb 0.84 -1.26 0.55 0.00 2.34 0.00 0.00 41.12 43.59 2qt6 n ASP 131 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 2qt6 n PRO 132 N 5.51 0.16 -0.05 -0.67 -0.04 -1.26 -1.48 135.00 137.17 2qt6 n PRO 132 Ca 0.24 0.55 0.12 0.00 -0.04 0.00 0.00 63.50 64.37 2qt6 n PRO 132 Cb 0.21 -1.93 0.29 0.00 -0.04 0.00 0.00 33.50 32.04 2qt6 n PRO 132 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 2qt6 n HIS 133 N -2.25 0.13 0.15 0.54 8.25 -1.26 -4.55 115.22 116.23 2qt6 n HIS 133 Ca 0.00 -0.07 0.16 0.00 -0.26 0.00 0.00 57.72 57.55 2qt6 n HIS 133 Cb 0.12 0.00 0.74 0.00 1.12 0.00 0.00 29.99 31.97 2qt6 n HIS 133 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2qt6 h ALA 134 N 4.46 2.08 0.00 -1.41 0.00 -1.63 -0.79 119.26 121.98 2qt6 h ALA 134 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2qt6 h ALA 134 Cb 0.77 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.58 2qt6 h ALA 134 CO 0.00 -0.34 0.00 0.27 0.00 0.00 0.00 179.25 179.18 2qt6 n ASN 135 N -4.17 0.39 -0.06 0.00 0.23 -1.26 -2.98 115.26 107.41 2qt6 n ASN 135 Ca 0.03 0.58 0.13 0.00 -0.53 0.00 0.00 54.58 54.79 2qt6 n ASN 135 Cb 0.36 -0.67 0.50 0.00 -2.08 0.00 0.00 39.78 37.89 2qt6 n ASN 135 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 2qt6 n LEU 136 N -1.91 0.38 -3.83 -4.53 4.77 -0.30 -4.94 117.00 106.65 2qt6 n LEU 136 Ca 0.04 0.12 -0.10 0.00 -0.03 0.00 0.00 56.01 56.04 2qt6 n LEU 136 Cb 0.25 -0.28 -0.05 0.00 -2.33 0.00 0.00 43.42 41.00 2qt6 n LEU 136 CO 0.20 0.08 0.11 -0.72 -1.33 0.00 0.00 177.39 175.73 2qt6 s TYR 137 N -2.77 0.10 -0.18 -1.77 -0.85 -1.16 -4.84 117.35 105.88 2qt6 s TYR 137 Ca 0.20 -0.46 0.13 0.00 -0.52 0.00 0.00 57.07 56.42 2qt6 s TYR 137 Cb 0.19 0.15 -0.20 0.00 0.38 0.00 0.00 41.96 42.48 2qt6 s TYR 137 CO 0.56 -0.78 0.01 -0.25 -1.52 0.00 0.00 175.55 173.57 2qt6 n ASP 138 N -0.25 0.97 -4.07 -0.18 8.00 0.42 -4.97 116.55 116.47 2qt6 n ASP 138 Ca -0.10 -0.02 -0.26 0.00 0.71 0.00 0.00 54.79 55.12 2qt6 n ASP 138 Cb 0.63 0.70 -0.17 0.00 -0.02 0.00 0.00 41.12 42.26 2qt6 n ASP 138 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2qt6 s VAL 139 N -2.43 1.32 -0.29 2.53 1.01 -0.78 -5.02 120.40 116.75 2qt6 s VAL 139 Ca -0.12 -0.60 0.02 0.00 0.00 0.00 0.00 61.98 61.28 2qt6 s VAL 139 Cb 0.06 -1.18 0.16 0.00 0.00 0.00 0.00 36.38 35.41 2qt6 s VAL 139 CO 0.68 0.40 0.41 -0.62 0.00 0.00 0.00 175.10 175.96 2qt6 s ASP 140 N 0.53 0.40 0.00 3.32 2.15 -1.26 -1.02 116.67 120.80 2qt6 s ASP 140 Ca -0.14 -0.37 0.00 0.00 0.43 0.00 0.00 52.55 52.47 2qt6 s ASP 140 Cb -0.16 1.10 0.00 0.00 -0.30 0.00 0.00 42.92 43.56 2qt6 s ASP 140 CO 0.04 -0.35 0.00 -0.90 -0.17 0.00 0.00 175.17 173.79 2qt6 n ASP 141 N 5.35 0.00 0.25 -0.34 5.68 -1.26 -5.01 116.55 121.23 2qt6 n ASP 141 Ca 0.00 -0.66 0.08 0.00 -0.50 0.00 0.00 54.79 53.71 2qt6 n ASP 141 Cb 0.49 0.00 0.61 0.00 -1.14 0.00 0.00 41.12 41.09 2qt6 n ASP 141 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 2qt6 h GLU 142 N 0.00 0.00 0.00 0.11 4.81 -2.00 -0.62 114.58 116.88 2qt6 h GLU 142 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2qt6 h GLU 142 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 2qt6 h GLU 142 CO 0.00 0.04 0.00 -1.13 -0.73 0.00 0.00 179.01 177.19 2qt6 n SER 143 N -4.47 0.00 -0.87 1.04 3.41 -1.26 -2.81 113.62 108.66 2qt6 n SER 143 Ca -0.03 0.34 0.08 0.00 -0.26 0.00 0.00 58.87 59.00 2qt6 n SER 143 Cb 0.13 -0.44 0.21 0.00 -0.26 0.00 0.00 64.21 63.85 2qt6 n SER 143 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2qt6 n THR 144 N -1.44 0.97 -3.00 6.66 -2.24 -0.24 -4.87 114.28 110.13 2qt6 n THR 144 Ca 0.07 -0.99 -0.40 0.00 -2.27 0.00 0.00 64.05 60.47 2qt6 n THR 144 Cb 0.25 0.52 -0.05 0.00 -2.10 0.00 0.00 70.33 68.95 2qt6 n THR 144 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2qt6 s VAL 145 N -1.01 4.86 -0.23 2.28 1.01 -1.12 -0.57 120.40 125.62 2qt6 s VAL 145 Ca 0.32 1.57 0.01 0.00 0.00 0.00 0.00 61.98 63.88 2qt6 s VAL 145 Cb 0.16 -4.09 0.05 0.00 0.00 0.00 0.00 36.38 32.51 2qt6 s VAL 145 CO 0.22 0.32 -0.08 -0.63 0.00 0.00 0.00 175.10 174.92 2qt6 s ILE 146 N 0.30 1.73 0.01 2.22 1.01 0.33 -4.90 121.20 121.90 2qt6 s ILE 146 Ca 0.39 -1.27 -0.07 0.00 0.00 0.00 0.00 60.65 59.70 2qt6 s ILE 146 Cb -0.19 -1.90 -0.05 0.00 0.01 0.00 0.00 42.46 40.33 2qt6 s ILE 146 CO 0.21 -0.00 0.29 0.42 0.00 0.00 0.00 174.94 175.86 2qt6 s THR 147 N 1.32 5.27 -0.16 2.92 -4.23 -1.26 -0.69 115.64 118.81 2qt6 s THR 147 Ca -0.05 0.24 -0.00 0.00 -1.18 0.00 0.00 61.69 60.69 2qt6 s THR 147 Cb -0.18 -3.58 -0.00 0.00 1.34 0.00 0.00 72.50 70.07 2qt6 s THR 147 CO -0.06 0.37 -0.14 -0.76 -0.54 0.00 0.00 174.62 173.49 2qt6 s LEU 148 N -1.73 2.57 -0.04 4.79 1.43 -0.37 -0.99 118.68 124.34 2qt6 s LEU 148 Ca 0.28 -0.44 0.00 0.00 -1.03 0.00 0.00 54.13 52.95 2qt6 s LEU 148 Cb -0.13 -1.59 0.02 0.00 0.03 0.00 0.00 46.19 44.52 2qt6 s LEU 148 CO 0.16 0.09 -0.02 0.00 0.23 0.00 0.00 176.35 176.80 2qt6 s ALA 149 N 0.81 0.57 0.19 4.21 0.00 -0.08 -0.53 121.76 126.93 2qt6 s ALA 149 Ca -0.05 -0.00 -0.30 0.00 0.00 0.00 0.00 51.96 51.61 2qt6 s ALA 149 Cb -0.15 -0.45 -0.08 0.00 0.00 0.00 0.00 23.12 22.44 2qt6 s ALA 149 CO 0.00 -0.12 1.12 0.16 0.00 0.00 0.00 175.76 176.93 2qt6 s ASP 150 N 1.15 7.22 -0.04 0.00 -4.77 -1.26 -0.01 116.67 118.95 2qt6 s ASP 150 Ca -0.08 2.14 0.03 0.00 -3.30 0.00 0.00 52.55 51.34 2qt6 s ASP 150 Cb -0.14 -2.61 0.01 0.00 -1.09 0.00 0.00 42.92 39.09 2qt6 s ASP 150 CO -0.01 -0.25 -0.11 0.86 0.70 0.00 0.00 175.17 176.36 2qt6 s TRP 151 N -0.25 1.19 -0.05 2.11 -0.11 -0.40 -4.79 118.94 116.64 2qt6 s TRP 151 Ca 0.50 -0.36 0.04 0.00 1.22 0.00 0.00 56.10 57.51 2qt6 s TRP 151 Cb -0.30 -0.86 -0.02 0.00 -1.50 0.00 0.00 33.47 30.78 2qt6 s TRP 151 CO 0.36 -0.17 -0.17 0.71 -4.62 0.00 0.00 176.95 173.06 2qt6 s TYR 152 N 0.39 2.63 -0.32 5.86 1.51 -1.26 -0.37 117.35 125.79 2qt6 s TYR 152 Ca -0.08 -0.26 0.22 0.00 -1.01 0.00 0.00 57.07 55.95 2qt6 s TYR 152 Cb -0.12 -1.62 0.37 0.00 -0.11 0.00 0.00 41.96 40.49 2qt6 s TYR 152 CO 0.02 0.11 1.61 0.45 -1.11 0.00 0.00 175.55 176.62 2qt6 h HIS 153 N 5.47 0.00 -3.54 2.71 3.86 -1.97 -3.44 115.15 118.25 2qt6 h HIS 153 Ca -0.44 0.00 -0.67 0.00 -1.16 0.00 0.00 60.37 58.10 2qt6 h HIS 153 Cb 1.15 0.00 -0.22 0.00 1.06 0.00 0.00 27.41 29.40 2qt6 h HIS 153 CO 0.48 0.11 -0.71 0.08 0.86 0.00 0.00 177.93 178.75 2qt6 s VAL 154 N -3.20 3.51 0.79 2.45 1.01 -1.26 -4.95 120.40 118.75 2qt6 s VAL 154 Ca 0.06 -0.52 -0.14 0.00 0.00 0.00 0.00 61.98 61.38 2qt6 s VAL 154 Cb 0.06 -2.46 0.08 0.00 0.00 0.00 0.00 36.38 34.05 2qt6 s VAL 154 CO 0.68 0.55 1.22 0.00 0.00 0.00 0.00 175.10 177.55 2qt6 s ALA 155 N -0.22 1.88 0.37 5.51 0.00 -1.26 -4.63 121.76 123.40 2qt6 s ALA 155 Ca 0.02 0.89 0.10 0.00 0.00 0.00 0.00 51.96 52.97 2qt6 s ALA 155 Cb -0.13 -3.50 0.86 0.00 0.00 0.00 0.00 23.12 20.35 2qt6 s ALA 155 CO 0.03 -2.25 1.87 0.00 0.00 0.00 0.00 175.76 175.41 2qt6 h ALA 156 N -0.77 1.88 -0.02 0.00 0.00 -1.92 -0.47 119.26 117.96 2qt6 h ALA 156 Ca -0.47 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.46 2qt6 h ALA 156 Cb 1.30 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.98 2qt6 h ALA 156 CO 0.47 -0.12 -0.03 1.63 0.00 0.00 0.00 179.25 181.19 2qt6 n LYS 157 N -4.55 1.65 -0.01 0.00 4.76 -1.26 -4.04 118.16 114.71 2qt6 n LYS 157 Ca 0.17 -1.03 0.02 0.00 -2.87 0.00 0.00 58.31 54.60 2qt6 n LYS 157 Cb 0.49 -1.48 -0.05 0.00 -1.84 0.00 0.00 35.03 32.14 2qt6 n LYS 157 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 2qt6 n LEU 158 N 0.22 0.00 0.00 -0.35 4.77 -0.29 -5.03 117.00 116.32 2qt6 n LEU 158 Ca 0.18 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.16 2qt6 n LEU 158 Cb 0.38 0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.51 2qt6 n LEU 158 CO 0.18 0.03 0.00 0.61 -1.33 0.00 0.00 177.39 176.88 2qt6 n GLY 159 N 2.21 0.10 3.72 -0.72 0.00 -0.60 -4.93 105.19 104.97 2qt6 n GLY 159 Ca -0.03 -1.81 -0.35 0.00 0.00 0.00 0.00 46.02 43.83 2qt6 n GLY 159 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2qt6 s PRO 160 N -0.75 2.25 0.27 1.61 0.02 -1.26 -4.90 135.00 132.24 2qt6 s PRO 160 Ca 0.00 1.91 -0.02 0.00 0.02 0.00 0.00 61.00 62.92 2qt6 s PRO 160 Cb 0.00 -1.83 0.44 0.00 0.02 0.00 0.00 34.50 33.14 2qt6 s PRO 160 CO 0.00 -1.79 1.87 -0.09 -0.33 0.00 0.00 177.00 176.66 2qt6 h ARG 161 N 0.02 1.09 -3.07 5.54 2.43 -1.96 -3.32 114.38 115.10 2qt6 h ARG 161 Ca -0.49 -0.07 -0.62 0.00 -0.81 0.00 0.00 59.98 58.00 2qt6 h ARG 161 Cb 1.32 -0.24 -0.40 0.00 -0.42 0.00 0.00 29.97 30.22 2qt6 h ARG 161 CO 0.51 0.72 -0.70 -0.06 -1.51 0.00 0.00 179.97 178.92 2qt6 s PHE 162 N -6.02 2.40 0.50 2.20 0.40 -1.26 -4.86 117.98 111.34 2qt6 s PHE 162 Ca -0.12 -2.70 -0.22 0.00 -0.60 0.00 0.00 56.93 53.28 2qt6 s PHE 162 Cb 0.21 -2.16 -0.08 0.00 0.51 0.00 0.00 43.02 41.50 2qt6 s PHE 162 CO 0.81 -0.75 1.14 -2.30 0.70 0.00 0.00 175.22 174.82 2qt6 n PRO 163 N 3.25 1.45 -0.03 0.24 -0.02 -1.25 -4.87 135.00 133.77 2qt6 n PRO 163 Ca 0.10 0.53 0.11 0.00 -2.02 0.00 0.00 63.50 62.22 2qt6 n PRO 163 Cb 0.35 -2.28 0.53 0.00 -0.02 0.00 0.00 33.50 32.08 2qt6 n PRO 163 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 2qt6 n LYS 164 N -0.44 1.35 0.00 -0.52 -0.00 -1.26 -4.93 118.16 112.36 2qt6 n LYS 164 Ca 0.10 -0.52 0.00 0.00 -0.00 0.00 0.00 58.31 57.89 2qt6 n LYS 164 Cb 0.43 -1.38 0.00 0.00 -0.00 0.00 0.00 35.03 34.08 2qt6 n LYS 164 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2qt6 n GLY 165 N 0.99 -0.03 3.97 2.58 0.00 -1.26 -3.69 105.19 107.75 2qt6 n GLY 165 Ca 0.17 -1.56 -0.21 0.00 0.00 0.00 0.00 46.02 44.42 2qt6 n GLY 165 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qt6 s ALA 166 N -1.64 3.90 -0.13 4.61 0.00 -1.26 -4.91 121.76 122.33 2qt6 s ALA 166 Ca 0.00 -1.33 0.17 0.00 0.00 0.00 0.00 51.96 50.80 2qt6 s ALA 166 Cb 0.00 -2.08 -0.11 0.00 0.00 0.00 0.00 23.12 20.93 2qt6 s ALA 166 CO 0.00 -0.75 0.88 -0.44 0.00 0.00 0.00 175.76 175.45 2qt6 h ASP 167 N 0.07 0.00 -5.07 0.00 3.32 -1.08 -3.27 116.42 110.38 2qt6 h ASP 167 Ca -0.42 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 56.58 2qt6 h ASP 167 Cb 1.30 0.00 -0.13 0.00 0.22 0.00 0.00 39.33 40.72 2qt6 h ASP 167 CO 0.52 0.54 -0.04 -0.94 -1.72 0.00 0.00 179.24 177.59 2qt6 s SER 168 N -5.80 -0.26 -0.17 6.45 1.04 -0.90 -4.29 113.70 109.77 2qt6 s SER 168 Ca -0.02 -0.30 -0.05 0.00 0.48 0.00 0.00 55.95 56.06 2qt6 s SER 168 Cb 0.09 0.49 -0.03 0.00 0.10 0.00 0.00 66.02 66.66 2qt6 s SER 168 CO 0.81 -0.87 0.00 -0.89 0.98 0.00 0.00 173.24 173.26 2qt6 s THR 169 N -3.80 4.24 -0.19 2.02 2.01 -1.26 -1.27 115.64 117.39 2qt6 s THR 169 Ca 0.03 -0.23 -0.06 0.00 0.31 0.00 0.00 61.69 61.74 2qt6 s THR 169 Cb 0.01 -2.88 -0.04 0.00 0.01 0.00 0.00 72.50 69.61 2qt6 s THR 169 CO -0.12 0.48 0.04 -0.76 -0.69 0.00 0.00 174.62 173.57 2qt6 s LEU 170 N 0.40 3.60 -0.21 4.42 1.43 0.98 -4.26 118.68 125.03 2qt6 s LEU 170 Ca -0.01 -0.03 -0.04 0.00 -1.03 0.00 0.00 54.13 53.02 2qt6 s LEU 170 Cb -0.13 -1.91 -0.01 0.00 0.03 0.00 0.00 46.19 44.17 2qt6 s LEU 170 CO 0.02 0.13 -0.04 -0.63 0.23 0.00 0.00 176.35 176.06 2qt6 s ILE 171 N 0.60 3.40 -1.67 -0.59 1.01 0.09 -0.90 121.20 123.14 2qt6 s ILE 171 Ca 0.02 -0.49 -0.16 0.00 0.00 0.00 0.00 60.65 60.02 2qt6 s ILE 171 Cb -0.13 -2.54 0.14 0.00 0.01 0.00 0.00 42.46 39.93 2qt6 s ILE 171 CO 0.02 0.43 0.75 0.59 0.00 0.00 0.00 174.94 176.72 2qt6 n ASN 172 N 4.69 -2.99 0.00 3.58 3.02 -0.16 -2.12 115.26 121.28 2qt6 n ASN 172 Ca -0.18 -1.01 0.00 0.00 -0.03 0.00 0.00 54.58 53.36 2qt6 n ASN 172 Cb 0.51 -2.81 0.00 0.00 -0.61 0.00 0.00 39.78 36.87 2qt6 n ASN 172 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2qt6 n GLY 173 N -1.49 0.80 3.07 7.41 0.00 -1.26 -4.93 105.19 108.79 2qt6 n GLY 173 Ca 0.03 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.89 2qt6 n GLY 173 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qt6 s LEU 174 N 0.00 2.18 0.00 0.99 1.43 -0.90 -4.67 118.68 117.71 2qt6 s LEU 174 Ca 0.00 -0.42 0.00 0.00 -1.03 0.00 0.00 54.13 52.68 2qt6 s LEU 174 Cb 0.00 -0.34 0.00 0.00 0.03 0.00 0.00 46.19 45.88 2qt6 s LEU 174 CO 0.00 -0.07 0.00 0.61 0.23 0.00 0.00 176.35 177.12 2qt6 n GLY 175 N 1.93 -1.33 3.57 -3.19 0.00 -1.18 -0.74 105.19 104.25 2qt6 n GLY 175 Ca -0.19 -1.04 -0.30 0.00 0.00 0.00 0.00 46.02 44.48 2qt6 n GLY 175 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2qt6 s ARG 176 N -1.92 2.20 0.45 1.61 0.52 -1.26 -4.08 118.95 116.47 2qt6 s ARG 176 Ca 0.00 -0.96 0.07 0.00 -0.52 0.00 0.00 55.73 54.32 2qt6 s ARG 176 Cb 0.00 -2.33 -0.00 0.00 0.52 0.00 0.00 34.95 33.14 2qt6 s ARG 176 CO 0.00 0.53 0.42 -1.54 0.02 0.00 0.00 175.30 174.73 2qt6 s SER 177 N -1.99 4.99 0.58 0.23 1.04 -1.26 -4.39 113.70 112.90 2qt6 s SER 177 Ca 0.20 -0.84 0.33 0.00 0.48 0.00 0.00 55.95 56.13 2qt6 s SER 177 Cb -0.11 -0.33 1.81 0.00 0.10 0.00 0.00 66.02 67.49 2qt6 s SER 177 CO 0.12 -0.79 2.19 0.71 0.98 0.00 0.00 173.24 176.45 2qt6 h THR 178 N 0.90 0.35 -0.01 2.02 1.35 -1.97 -1.53 112.91 114.01 2qt6 h THR 178 Ca -0.40 -0.25 0.00 0.00 -0.55 0.00 0.00 66.41 65.21 2qt6 h THR 178 Cb 1.27 1.18 0.00 0.00 -1.73 0.00 0.00 68.15 68.88 2qt6 h THR 178 CO 0.56 0.04 -0.17 -1.54 -0.25 0.00 0.00 175.52 174.16 2qt6 n SER 179 N -3.49 1.61 -3.10 5.36 3.41 -1.26 -4.41 113.62 111.75 2qt6 n SER 179 Ca -0.02 -1.34 -0.22 0.00 -0.26 0.00 0.00 58.87 57.03 2qt6 n SER 179 Cb 0.16 0.13 -0.04 0.00 -0.26 0.00 0.00 64.21 64.20 2qt6 n SER 179 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2qt6 n THR 180 N -0.00 1.12 0.26 6.66 -2.24 -0.58 -4.94 114.28 114.55 2qt6 n THR 180 Ca 0.14 -4.96 0.05 0.00 -2.27 0.00 0.00 64.05 57.01 2qt6 n THR 180 Cb 0.40 -0.81 0.23 0.00 -2.10 0.00 0.00 70.33 68.06 2qt6 n THR 180 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 2qt6 n PRO 181 N 0.14 0.03 -0.12 -0.78 -0.04 -1.24 -1.83 135.00 131.16 2qt6 n PRO 181 Ca 0.27 0.41 0.04 0.00 -0.04 0.00 0.00 63.50 64.18 2qt6 n PRO 181 Cb 0.55 -1.58 0.10 0.00 -0.04 0.00 0.00 33.50 32.52 2qt6 n PRO 181 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2qt6 n THR 182 N -1.65 1.12 -1.69 0.52 -2.24 -1.26 -4.86 114.28 104.22 2qt6 n THR 182 Ca 0.01 -1.11 -0.37 0.00 -2.27 0.00 0.00 64.05 60.31 2qt6 n THR 182 Cb 0.10 0.42 0.07 0.00 -2.10 0.00 0.00 70.33 68.81 2qt6 n THR 182 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2qt6 n ALA 183 N -0.03 0.86 -1.77 6.98 0.00 -0.76 -4.90 120.51 120.89 2qt6 n ALA 183 Ca 0.08 -0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.11 2qt6 n ALA 183 Cb 0.40 -2.26 -0.01 0.00 0.00 0.00 0.00 19.45 17.57 2qt6 n ALA 183 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2qt6 s ASP 184 N -1.34 6.38 0.15 0.00 1.01 -1.26 -4.81 116.67 116.80 2qt6 s ASP 184 Ca 0.81 2.95 -0.01 0.00 0.71 0.00 0.00 52.55 57.01 2qt6 s ASP 184 Cb -0.39 -2.64 -0.04 0.00 1.01 0.00 0.00 42.92 40.86 2qt6 s ASP 184 CO 0.42 -0.89 0.33 -0.76 0.21 0.00 0.00 175.17 174.48 2qt6 s LEU 185 N -0.84 4.28 0.47 1.23 1.43 -1.26 -3.63 118.68 120.36 2qt6 s LEU 185 Ca 0.61 0.38 -0.22 0.00 -1.03 0.00 0.00 54.13 53.86 2qt6 s LEU 185 Cb -0.47 -3.12 -0.07 0.00 0.03 0.00 0.00 46.19 42.56 2qt6 s LEU 185 CO 0.51 0.04 1.16 0.00 0.23 0.00 0.00 176.35 178.29 2qt6 s ALA 186 N -1.72 2.94 -0.08 4.21 0.00 -1.26 -4.92 121.76 120.93 2qt6 s ALA 186 Ca 0.38 0.92 0.04 0.00 0.00 0.00 0.00 51.96 53.29 2qt6 s ALA 186 Cb -0.12 -3.38 0.00 0.00 0.00 0.00 0.00 23.12 19.63 2qt6 s ALA 186 CO 0.28 -0.67 -0.21 0.08 0.00 0.00 0.00 175.76 175.24 2qt6 s VAL 187 N -1.57 1.81 -0.21 0.00 1.01 -1.26 -1.21 120.40 118.96 2qt6 s VAL 187 Ca 0.65 -0.89 -0.02 0.00 0.00 0.00 0.00 61.98 61.72 2qt6 s VAL 187 Cb -0.28 -1.57 0.01 0.00 0.00 0.00 0.00 36.38 34.54 2qt6 s VAL 187 CO 0.34 0.51 -0.10 -0.63 0.00 0.00 0.00 175.10 175.21 2qt6 s ILE 188 N 0.31 2.83 0.00 2.22 1.01 0.45 -4.98 121.20 123.04 2qt6 s ILE 188 Ca -0.15 -0.75 -0.18 0.00 0.00 0.00 0.00 60.65 59.58 2qt6 s ILE 188 Cb -0.16 -2.29 -0.06 0.00 0.01 0.00 0.00 42.46 39.96 2qt6 s ILE 188 CO 0.07 0.42 0.51 -0.44 0.00 0.00 0.00 174.94 175.49 2qt6 s SER 189 N 1.38 6.90 0.06 3.58 0.01 -1.26 -0.62 113.70 123.75 2qt6 s SER 189 Ca 0.04 1.07 0.01 0.00 1.31 0.00 0.00 55.95 58.38 2qt6 s SER 189 Cb -0.14 -2.31 -0.03 0.00 0.21 0.00 0.00 66.02 63.74 2qt6 s SER 189 CO -0.07 0.21 -0.06 0.68 0.41 0.00 0.00 173.24 174.41 2qt6 s VAL 190 N -0.62 0.48 -0.16 3.43 -7.23 -0.86 -4.95 120.40 110.49 2qt6 s VAL 190 Ca 0.27 -1.47 -0.05 0.00 -1.81 0.00 0.00 61.98 58.92 2qt6 s VAL 190 Cb -0.18 -1.07 -0.03 0.00 0.56 0.00 0.00 36.38 35.66 2qt6 s VAL 190 CO 0.15 -0.67 0.01 -0.89 -0.31 0.00 0.00 175.10 173.40 2qt6 s THR 191 N -2.58 4.35 0.23 5.32 2.01 -1.26 -0.48 115.64 123.23 2qt6 s THR 191 Ca -0.01 -0.20 -0.32 0.00 0.31 0.00 0.00 61.69 61.48 2qt6 s THR 191 Cb -0.02 -2.92 -0.13 0.00 0.01 0.00 0.00 72.50 69.43 2qt6 s THR 191 CO -0.03 0.49 1.45 1.17 -0.69 0.00 0.00 174.62 177.01 2qt6 n LYS 192 N 3.39 2.09 0.00 4.92 4.81 -1.26 -1.62 118.16 130.49 2qt6 n LYS 192 Ca -0.17 0.75 0.00 0.00 -0.87 0.00 0.00 58.31 58.02 2qt6 n LYS 192 Cb 0.52 -2.43 0.00 0.00 0.02 0.00 0.00 35.03 33.14 2qt6 n LYS 192 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2qt6 n GLY 193 N 2.36 1.57 3.93 3.14 0.00 0.47 -5.03 105.19 111.62 2qt6 n GLY 193 Ca 0.12 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.89 2qt6 n GLY 193 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qt6 s LYS 194 N -0.64 3.52 -0.08 1.61 1.02 -0.64 -4.86 119.74 119.67 2qt6 s LYS 194 Ca 0.00 -0.22 0.04 0.00 0.02 0.00 0.00 55.97 55.81 2qt6 s LYS 194 Cb 0.00 -2.64 -0.01 0.00 -0.52 0.00 0.00 37.83 34.65 2qt6 s LYS 194 CO 0.00 0.15 -0.19 1.03 -0.92 0.00 0.00 175.35 175.41 2qt6 s ARG 195 N -4.14 2.82 -0.05 1.68 0.52 -1.26 -1.48 118.95 117.04 2qt6 s ARG 195 Ca 0.41 -0.80 0.06 0.00 -0.52 0.00 0.00 55.73 54.89 2qt6 s ARG 195 Cb -0.10 -2.35 -0.01 0.00 0.52 0.00 0.00 34.95 33.01 2qt6 s ARG 195 CO 0.35 0.37 -0.24 0.71 0.02 0.00 0.00 175.30 176.51 2qt6 s TYR 196 N -0.10 2.30 -0.73 -0.53 1.51 -0.03 -0.44 117.35 119.33 2qt6 s TYR 196 Ca -0.04 -0.65 -0.20 0.00 -1.01 0.00 0.00 57.07 55.16 2qt6 s TYR 196 Cb -0.14 -1.51 0.10 0.00 -0.11 0.00 0.00 41.96 40.30 2qt6 s TYR 196 CO 0.04 -0.19 0.95 0.50 -1.11 0.00 0.00 175.55 175.75 2qt6 s ARG 197 N -0.18 3.26 0.03 -0.62 3.52 -0.19 -1.15 118.95 123.62 2qt6 s ARG 197 Ca -0.02 -1.28 -0.27 0.00 -0.13 0.00 0.00 55.73 54.03 2qt6 s ARG 197 Cb -0.13 -4.46 -0.04 0.00 -1.56 0.00 0.00 34.95 28.75 2qt6 s ARG 197 CO 0.03 -1.73 0.86 -0.06 -0.81 0.00 0.00 175.30 173.59 2qt6 s PHE 198 N 3.22 3.70 -0.38 5.12 0.40 0.04 -4.71 117.98 125.37 2qt6 s PHE 198 Ca 0.23 1.57 -0.04 0.00 -0.60 0.00 0.00 56.93 58.08 2qt6 s PHE 198 Cb -0.14 -2.95 0.09 0.00 0.51 0.00 0.00 43.02 40.52 2qt6 s PHE 198 CO 0.03 0.14 0.17 1.03 0.70 0.00 0.00 175.22 177.29 2qt6 s ARG 199 N 0.42 2.28 -0.23 0.44 0.52 0.27 -1.02 118.95 121.63 2qt6 s ARG 199 Ca 0.44 -1.58 -0.17 0.00 -0.52 0.00 0.00 55.73 53.90 2qt6 s ARG 199 Cb -0.21 -3.54 -0.03 0.00 0.52 0.00 0.00 34.95 31.69 2qt6 s ARG 199 CO 0.25 -0.92 0.46 -1.17 0.02 0.00 0.00 175.30 173.94 2qt6 s LEU 200 N 1.25 4.10 -0.18 2.53 2.96 0.13 -0.51 118.68 128.96 2qt6 s LEU 200 Ca 0.03 0.52 0.01 0.00 -0.22 0.00 0.00 54.13 54.48 2qt6 s LEU 200 Cb -0.22 -2.60 0.03 0.00 0.50 0.00 0.00 46.19 43.91 2qt6 s LEU 200 CO -0.02 -0.19 -0.13 -0.69 -1.32 0.00 0.00 176.35 174.01 2qt6 s VAL 201 N 1.82 1.69 -0.36 1.68 1.01 0.13 -1.13 120.40 125.25 2qt6 s VAL 201 Ca 0.20 -0.89 -0.27 0.00 0.00 0.00 0.00 61.98 61.02 2qt6 s VAL 201 Cb -0.15 -1.67 0.02 0.00 0.00 0.00 0.00 36.38 34.57 2qt6 s VAL 201 CO 0.09 0.31 1.01 -0.55 0.00 0.00 0.00 175.10 175.96 2qt6 s SER 202 N 1.40 6.77 -0.17 3.32 0.15 -0.50 -1.23 113.70 123.44 2qt6 s SER 202 Ca 0.01 0.76 0.09 0.00 0.70 0.00 0.00 55.95 57.51 2qt6 s SER 202 Cb -0.15 -2.51 0.56 0.00 -1.71 0.00 0.00 66.02 62.22 2qt6 s SER 202 CO -0.10 -0.91 1.38 0.18 1.20 0.00 0.00 173.24 175.00 2qt6 n LEU 203 N 6.94 4.38 -4.77 3.45 4.77 0.31 -2.80 117.00 129.28 2qt6 n LEU 203 Ca 0.10 -2.23 -0.40 0.00 -0.03 0.00 0.00 56.01 53.45 2qt6 n LEU 203 Cb 0.48 -0.64 -0.02 0.00 -2.33 0.00 0.00 43.42 40.91 2qt6 n LEU 203 CO 0.60 0.53 0.91 -0.55 -1.33 0.00 0.00 177.39 177.56 2qt6 s SER 204 N -0.54 6.75 0.21 -1.43 0.15 -1.25 -4.68 113.70 112.91 2qt6 s SER 204 Ca 0.38 2.54 0.26 0.00 0.70 0.00 0.00 55.95 59.82 2qt6 s SER 204 Cb 0.29 -2.64 0.71 0.00 -1.71 0.00 0.00 66.02 62.67 2qt6 s SER 204 CO 0.11 -0.53 1.69 0.00 1.20 0.00 0.00 173.24 175.71 2qt6 n ASP 206 N -2.30 0.00 -4.74 0.00 -0.08 -1.26 -0.74 116.55 107.43 2qt6 n ASP 206 Ca 0.05 0.00 -0.33 0.00 -1.51 0.00 0.00 54.79 53.00 2qt6 n ASP 206 Cb 0.44 0.45 0.08 0.00 2.34 0.00 0.00 41.12 44.43 2qt6 n ASP 206 CO 0.00 0.00 0.00 -2.16 0.12 0.00 0.00 177.20 175.16 2qt6 s PRO 207 N -0.96 2.30 0.29 -0.67 0.04 -1.26 -4.53 135.00 130.20 2qt6 s PRO 207 Ca 0.00 1.55 -0.05 0.00 0.04 0.00 0.00 61.00 62.53 2qt6 s PRO 207 Cb 0.00 -1.87 -0.05 0.00 0.04 0.00 0.00 34.50 32.61 2qt6 s PRO 207 CO 0.00 -1.67 0.55 0.54 0.04 0.00 0.00 177.00 176.47 2qt6 s ASN 208 N -2.42 6.46 -0.01 6.66 2.20 -1.26 -4.20 114.94 122.37 2qt6 s ASN 208 Ca 0.70 0.73 0.08 0.00 -0.94 0.00 0.00 52.86 53.42 2qt6 s ASN 208 Cb -0.24 -2.15 -0.02 0.00 -2.00 0.00 0.00 41.25 36.84 2qt6 s ASN 208 CO 0.46 -0.19 -0.24 -0.31 -2.94 0.00 0.00 177.10 173.88 2qt6 s TYR 209 N -2.07 2.39 -0.36 1.54 2.02 -0.26 -1.92 117.35 118.69 2qt6 s TYR 209 Ca 0.44 -0.39 -0.12 0.00 -0.37 0.00 0.00 57.07 56.63 2qt6 s TYR 209 Cb -0.11 -1.49 0.01 0.00 -0.40 0.00 0.00 41.96 39.97 2qt6 s TYR 209 CO 0.29 0.04 0.22 0.99 -1.57 0.00 0.00 175.55 175.53 2qt6 s THR 210 N -0.68 4.92 -0.15 -0.71 2.01 0.03 -0.34 115.64 120.71 2qt6 s THR 210 Ca 0.11 -0.54 -0.04 0.00 0.31 0.00 0.00 61.69 61.52 2qt6 s THR 210 Cb -0.10 -3.63 -0.03 0.00 0.01 0.00 0.00 72.50 68.75 2qt6 s THR 210 CO 0.00 -0.12 -0.01 0.12 -0.69 0.00 0.00 174.62 173.92 2qt6 s PHE 211 N 1.64 3.10 0.18 4.92 5.36 0.96 -1.13 117.98 133.01 2qt6 s PHE 211 Ca 0.04 -0.12 -0.15 0.00 -0.96 0.00 0.00 56.93 55.74 2qt6 s PHE 211 Cb -0.18 -1.95 0.02 0.00 -0.34 0.00 0.00 43.02 40.57 2qt6 s PHE 211 CO 0.08 0.10 0.46 -1.54 -1.46 0.00 0.00 175.22 172.86 2qt6 s SER 212 N 0.14 -0.19 -0.10 6.13 1.04 -0.24 -1.18 113.70 119.30 2qt6 s SER 212 Ca 0.01 -0.55 -0.01 0.00 0.48 0.00 0.00 55.95 55.87 2qt6 s SER 212 Cb -0.13 0.54 0.03 0.00 0.10 0.00 0.00 66.02 66.56 2qt6 s SER 212 CO 0.02 -1.00 -0.02 -0.63 0.98 0.00 0.00 173.24 172.59 2qt6 s ILE 213 N -3.89 0.62 0.19 -1.02 1.01 -1.26 -0.79 121.20 116.06 2qt6 s ILE 213 Ca 0.10 -0.11 -0.33 0.00 0.00 0.00 0.00 60.65 60.32 2qt6 s ILE 213 Cb 0.00 -0.77 -0.14 0.00 0.01 0.00 0.00 42.46 41.55 2qt6 s ILE 213 CO -0.03 0.24 1.40 0.47 0.00 0.00 0.00 174.94 177.01 2qt6 n ASP 214 N 5.06 2.46 0.00 3.58 8.00 -0.09 -1.60 116.55 133.97 2qt6 n ASP 214 Ca -0.09 1.13 0.00 0.00 0.71 0.00 0.00 54.79 56.54 2qt6 n ASP 214 Cb 0.50 -1.36 0.00 0.00 -0.02 0.00 0.00 41.12 40.23 2qt6 n ASP 214 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 2qt6 n SER 215 N 2.46 -4.50 -4.32 -2.24 7.64 -1.26 -4.77 113.62 106.63 2qt6 n SER 215 Ca 0.14 0.00 -0.26 0.00 1.01 0.00 0.00 58.87 59.76 2qt6 n SER 215 Cb 0.28 -2.26 -0.13 0.00 -1.01 0.00 0.00 64.21 61.10 2qt6 n SER 215 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 2qt6 s HIS 216 N -1.45 1.98 0.23 1.43 3.76 -0.62 -4.90 115.29 115.73 2qt6 s HIS 216 Ca 0.00 -0.40 0.06 0.00 -0.15 0.00 0.00 55.06 54.57 2qt6 s HIS 216 Cb 0.00 -1.10 -0.03 0.00 1.11 0.00 0.00 32.58 32.56 2qt6 s HIS 216 CO 0.00 0.23 0.28 -0.65 -0.85 0.00 0.00 174.74 173.74 2qt6 s GLN 217 N -1.82 3.20 -0.16 1.40 -0.21 -1.26 -4.62 119.66 116.19 2qt6 s GLN 217 Ca 0.09 -0.87 0.01 0.00 0.02 0.00 0.00 55.36 54.61 2qt6 s GLN 217 Cb -0.10 -2.75 0.02 0.00 1.00 0.00 0.00 33.01 31.18 2qt6 s GLN 217 CO 0.04 0.43 -0.15 -0.51 -2.12 0.00 0.00 175.29 172.98 2qt6 s LEU 218 N -3.81 1.86 -0.48 2.90 1.43 0.07 -4.55 118.68 116.10 2qt6 s LEU 218 Ca 0.33 -0.57 -0.12 0.00 -1.03 0.00 0.00 54.13 52.74 2qt6 s LEU 218 Cb -0.09 -1.27 0.11 0.00 0.03 0.00 0.00 46.19 44.97 2qt6 s LEU 218 CO 0.27 -0.05 0.38 -0.89 0.23 0.00 0.00 176.35 176.29 2qt6 s THR 219 N 1.43 4.70 0.07 5.49 2.01 -0.41 -0.53 115.64 128.39 2qt6 s THR 219 Ca 0.04 -1.49 -0.31 0.00 0.31 0.00 0.00 61.69 60.24 2qt6 s THR 219 Cb -0.13 -3.97 -0.06 0.00 0.01 0.00 0.00 72.50 68.35 2qt6 s THR 219 CO -0.11 -0.71 1.26 -0.69 -0.69 0.00 0.00 174.62 173.67 2qt6 s VAL 220 N 1.50 3.84 0.00 3.82 1.01 0.10 -0.36 120.40 130.31 2qt6 s VAL 220 Ca 0.04 1.32 0.00 0.00 0.00 0.00 0.00 61.98 63.34 2qt6 s VAL 220 Cb -0.26 -3.84 0.00 0.00 0.00 0.00 0.00 36.38 32.27 2qt6 s VAL 220 CO 0.02 0.09 0.24 2.30 0.00 0.00 0.00 175.10 177.76 2qt6 n ILE 221 N 3.99 0.00 -3.63 2.22 -5.35 -0.11 -1.71 119.36 114.77 2qt6 n ILE 221 Ca 0.10 -0.24 -0.15 0.00 -0.27 0.00 0.00 62.75 62.19 2qt6 n ILE 221 Cb 0.45 1.51 -0.07 0.00 -1.74 0.00 0.00 39.64 39.79 2qt6 n ILE 221 CO 0.00 0.00 0.00 -0.70 -1.76 0.00 0.00 176.55 174.09 2qt6 s GLU 222 N -0.00 0.83 -0.06 6.28 2.12 -1.20 -0.91 118.70 125.76 2qt6 s GLU 222 Ca 0.00 0.79 -0.00 0.00 0.36 0.00 0.00 54.97 56.12 2qt6 s GLU 222 Cb 0.00 0.40 0.02 0.00 0.26 0.00 0.00 34.13 34.82 2qt6 s GLU 222 CO 0.00 -0.14 -0.02 0.00 -0.54 0.00 0.00 175.26 174.56 2qt6 s ALA 223 N 0.04 0.68 -1.56 6.30 0.00 -0.30 -1.51 121.76 125.41 2qt6 s ALA 223 Ca -0.02 -0.08 -0.09 0.00 0.00 0.00 0.00 51.96 51.76 2qt6 s ALA 223 Cb -0.04 -0.56 0.08 0.00 0.00 0.00 0.00 23.12 22.60 2qt6 s ALA 223 CO 0.03 -0.22 0.60 -0.25 0.00 0.00 0.00 175.76 175.92 2qt6 n ASP 224 N 4.54 -1.89 0.00 0.00 9.92 0.27 -1.22 116.55 128.17 2qt6 n ASP 224 Ca -0.17 -1.01 0.00 0.00 -0.53 0.00 0.00 54.79 53.08 2qt6 n ASP 224 Cb 0.50 -2.91 0.00 0.00 -0.64 0.00 0.00 41.12 38.07 2qt6 n ASP 224 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2qt6 n GLY 225 N -1.73 1.91 3.48 0.44 0.00 -1.24 -4.54 105.19 103.51 2qt6 n GLY 225 Ca -0.12 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.55 2qt6 n GLY 225 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qt6 s VAL 226 N -2.34 4.13 0.38 1.61 1.01 -0.36 -4.27 120.40 120.57 2qt6 s VAL 226 Ca 0.00 -0.25 -0.27 0.00 0.00 0.00 0.00 61.98 61.46 2qt6 s VAL 226 Cb 0.00 -2.87 -0.09 0.00 0.00 0.00 0.00 36.38 33.41 2qt6 s VAL 226 CO 0.00 0.42 1.32 -0.44 0.00 0.00 0.00 175.10 176.40 2qt6 s SER 227 N 0.96 6.45 0.31 3.32 0.01 -1.26 -1.15 113.70 122.33 2qt6 s SER 227 Ca 0.02 2.69 0.09 0.00 1.31 0.00 0.00 55.95 60.06 2qt6 s SER 227 Cb -0.14 -2.64 -0.06 0.00 0.21 0.00 0.00 66.02 63.38 2qt6 s SER 227 CO 0.02 -0.76 -0.09 0.42 0.41 0.00 0.00 173.24 173.24 2qt6 s THR 228 N -1.22 2.05 0.29 1.44 -4.23 -0.09 -1.34 115.64 112.54 2qt6 s THR 228 Ca 0.54 -2.20 -0.29 0.00 -1.18 0.00 0.00 61.69 58.56 2qt6 s THR 228 Cb -0.39 -2.53 -0.10 0.00 1.34 0.00 0.00 72.50 70.82 2qt6 s THR 228 CO 0.51 -0.27 1.42 -1.10 -0.54 0.00 0.00 174.62 174.65 2qt6 s GLN 229 N -3.64 4.26 0.27 3.99 -0.21 0.38 -4.43 119.66 120.28 2qt6 s GLN 229 Ca 0.31 2.34 -0.31 0.00 0.02 0.00 0.00 55.36 57.72 2qt6 s GLN 229 Cb 0.02 -3.08 -0.12 0.00 1.00 0.00 0.00 33.01 30.83 2qt6 s GLN 229 CO 0.14 -0.39 1.55 -2.30 -2.12 0.00 0.00 175.29 172.17 2qt6 n PRO 230 N 1.71 2.51 -3.96 2.91 -0.02 -1.26 -4.70 135.00 132.19 2qt6 n PRO 230 Ca 0.04 0.89 -0.20 0.00 -2.02 0.00 0.00 63.50 62.22 2qt6 n PRO 230 Cb 0.40 -2.65 -0.17 0.00 -0.02 0.00 0.00 33.50 31.07 2qt6 n PRO 230 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2qt6 s VAL 231 N 0.08 0.33 -0.21 -1.45 1.01 -0.70 -4.95 120.40 114.52 2qt6 s VAL 231 Ca 0.66 0.04 -0.14 0.00 0.00 0.00 0.00 61.98 62.54 2qt6 s VAL 231 Cb -0.54 -0.43 -0.04 0.00 0.00 0.00 0.00 36.38 35.37 2qt6 s VAL 231 CO 0.47 0.20 0.32 -0.89 0.00 0.00 0.00 175.10 175.21 2qt6 s THR 232 N 1.26 5.25 0.24 3.92 2.01 -1.26 0.00 115.64 127.07 2qt6 s THR 232 Ca -0.06 0.54 0.01 0.00 0.31 0.00 0.00 61.69 62.49 2qt6 s THR 232 Cb -0.13 -3.66 -0.04 0.00 0.01 0.00 0.00 72.50 68.68 2qt6 s THR 232 CO -0.02 0.28 0.13 0.68 -0.69 0.00 0.00 174.62 175.00 2qt6 s VAL 233 N 1.20 0.25 -0.15 3.82 -7.23 0.31 -4.95 120.40 113.65 2qt6 s VAL 233 Ca 0.15 -2.00 0.19 0.00 -1.81 0.00 0.00 61.98 58.51 2qt6 s VAL 233 Cb -0.14 -2.55 -0.26 0.00 0.56 0.00 0.00 36.38 33.98 2qt6 s VAL 233 CO 0.07 0.00 0.25 0.47 -0.31 0.00 0.00 175.10 175.57 2qt6 n ASP 234 N -0.48 0.09 -3.86 4.85 8.00 0.90 -0.75 116.55 125.30 2qt6 n ASP 234 Ca 0.01 0.04 -0.09 0.00 0.71 0.00 0.00 54.79 55.46 2qt6 n ASP 234 Cb 0.66 1.16 -0.07 0.00 -0.02 0.00 0.00 41.12 42.85 2qt6 n ASP 234 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 2qt6 s SER 235 N -5.28 0.12 -0.04 -2.24 1.04 -0.76 -4.40 113.70 102.14 2qt6 s SER 235 Ca -0.09 -0.62 0.02 0.00 0.48 0.00 0.00 55.95 55.74 2qt6 s SER 235 Cb 0.08 0.33 0.01 0.00 0.10 0.00 0.00 66.02 66.54 2qt6 s SER 235 CO 0.85 -0.71 -0.09 -0.63 0.98 0.00 0.00 173.24 173.64 2qt6 s ILE 236 N -3.71 0.82 -0.31 -1.02 1.01 -0.32 -0.93 121.20 116.73 2qt6 s ILE 236 Ca 0.04 -0.34 -0.12 0.00 0.00 0.00 0.00 60.65 60.23 2qt6 s ILE 236 Cb 0.04 -0.75 -0.03 0.00 0.01 0.00 0.00 42.46 41.73 2qt6 s ILE 236 CO -0.10 0.27 0.21 -1.58 0.00 0.00 0.00 174.94 173.74 2qt6 s GLN 237 N 0.45 3.67 -0.18 2.79 0.74 -1.26 -0.03 119.66 125.85 2qt6 s GLN 237 Ca -0.08 -0.51 -0.01 0.00 0.05 0.00 0.00 55.36 54.81 2qt6 s GLN 237 Cb -0.12 -3.73 0.00 0.00 1.10 0.00 0.00 33.01 30.27 2qt6 s GLN 237 CO 0.01 -0.33 -0.14 -1.50 -0.55 0.00 0.00 175.29 172.78 2qt6 s ILE 238 N 1.73 2.67 0.60 -2.34 2.07 0.54 -4.95 121.20 121.52 2qt6 s ILE 238 Ca 0.06 -0.75 -0.06 0.00 -1.41 0.00 0.00 60.65 58.50 2qt6 s ILE 238 Cb -0.17 -2.15 0.02 0.00 0.13 0.00 0.00 42.46 40.29 2qt6 s ILE 238 CO 0.10 0.50 0.91 -0.36 -1.91 0.00 0.00 174.94 174.18 2qt6 s PHE 239 N 1.13 3.19 0.08 3.50 0.08 -1.26 -1.10 117.98 123.60 2qt6 s PHE 239 Ca 0.01 0.58 -0.36 0.00 0.12 0.00 0.00 56.93 57.28 2qt6 s PHE 239 Cb -0.14 -2.79 -0.15 0.00 -0.57 0.00 0.00 43.02 39.36 2qt6 s PHE 239 CO -0.05 -0.90 1.48 0.00 -0.10 0.00 0.00 175.22 175.65 2qt6 n ALA 240 N -2.61 0.01 -0.70 5.36 0.00 -1.26 -1.36 120.51 119.95 2qt6 n ALA 240 Ca 0.05 0.47 0.00 0.00 0.00 0.00 0.00 53.44 53.96 2qt6 n ALA 240 Cb 0.58 -2.21 0.00 0.00 0.00 0.00 0.00 19.45 17.82 2qt6 n ALA 240 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qt6 n ALA 241 N 3.25 0.00 -1.50 0.00 0.00 -1.12 -4.90 120.51 116.24 2qt6 n ALA 241 Ca 0.19 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.32 2qt6 n ALA 241 Cb 0.23 -0.05 0.09 0.00 0.00 0.00 0.00 19.45 19.71 2qt6 n ALA 241 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2qt6 s GLN 242 N -0.04 2.15 0.01 0.00 -0.21 -0.46 -4.81 119.66 116.29 2qt6 s GLN 242 Ca 0.00 0.74 -0.00 0.00 0.02 0.00 0.00 55.36 56.12 2qt6 s GLN 242 Cb 0.00 -1.92 -0.01 0.00 1.00 0.00 0.00 33.01 32.08 2qt6 s GLN 242 CO 0.00 -1.60 -0.01 1.03 -2.12 0.00 0.00 175.29 172.59 2qt6 s ARG 243 N -5.10 0.18 0.03 2.91 3.00 -1.26 -1.42 118.95 117.30 2qt6 s ARG 243 Ca 0.61 -0.33 0.03 0.00 0.00 0.00 0.00 55.73 56.03 2qt6 s ARG 243 Cb -0.15 0.07 -0.02 0.00 0.00 0.00 0.00 34.95 34.85 2qt6 s ARG 243 CO 0.55 -0.03 -0.09 0.71 0.00 0.00 0.00 175.30 176.44 2qt6 s TYR 244 N -0.82 0.78 -0.11 -0.53 2.02 -0.28 -0.57 117.35 117.83 2qt6 s TYR 244 Ca -0.09 -0.32 -0.06 0.00 -0.37 0.00 0.00 57.07 56.23 2qt6 s TYR 244 Cb -0.06 -0.47 -0.04 0.00 -0.40 0.00 0.00 41.96 40.99 2qt6 s TYR 244 CO -0.00 -0.02 0.11 -1.12 -1.57 0.00 0.00 175.55 172.94 2qt6 s SER 245 N -0.97 6.17 0.02 2.29 0.01 -0.57 0.19 113.70 120.84 2qt6 s SER 245 Ca -0.03 0.41 0.02 0.00 1.31 0.00 0.00 55.95 57.67 2qt6 s SER 245 Cb -0.07 -1.96 -0.02 0.00 0.21 0.00 0.00 66.02 64.19 2qt6 s SER 245 CO 0.00 0.40 -0.08 0.72 0.41 0.00 0.00 173.24 174.70 2qt6 s PHE 246 N -1.00 0.69 -0.05 2.43 -0.12 -0.18 -0.93 117.98 118.80 2qt6 s PHE 246 Ca 0.15 -0.33 -0.21 0.00 -0.05 0.00 0.00 56.93 56.49 2qt6 s PHE 246 Cb -0.12 -0.42 -0.04 0.00 -0.63 0.00 0.00 43.02 41.81 2qt6 s PHE 246 CO 0.04 -0.04 0.61 0.08 -0.05 0.00 0.00 175.22 175.86 2qt6 s VAL 247 N -0.83 5.03 -0.15 -2.49 1.01 0.51 -0.78 120.40 122.70 2qt6 s VAL 247 Ca -0.04 1.25 -0.00 0.00 0.00 0.00 0.00 61.98 63.19 2qt6 s VAL 247 Cb -0.07 -3.95 -0.01 0.00 0.00 0.00 0.00 36.38 32.36 2qt6 s VAL 247 CO 0.00 0.33 -0.14 -0.22 0.00 0.00 0.00 175.10 175.08 2qt6 s LEU 248 N 0.37 2.59 -0.35 3.92 0.20 -0.30 -1.28 118.68 123.82 2qt6 s LEU 248 Ca 0.32 -0.41 -0.17 0.00 0.69 0.00 0.00 54.13 54.56 2qt6 s LEU 248 Cb -0.17 -1.59 -0.01 0.00 -0.43 0.00 0.00 46.19 43.99 2qt6 s LEU 248 CO 0.16 0.11 0.44 0.21 -0.29 0.00 0.00 176.35 176.97 2qt6 s ASN 249 N 0.70 6.25 -1.21 3.68 2.47 -1.26 -0.85 114.94 124.71 2qt6 s ASN 249 Ca -0.07 -0.14 -0.18 0.00 0.42 0.00 0.00 52.86 52.89 2qt6 s ASN 249 Cb -0.15 -2.23 -0.02 0.00 -1.45 0.00 0.00 41.25 37.39 2qt6 s ASN 249 CO 0.02 -0.42 2.02 0.00 -3.72 0.00 0.00 177.10 175.00 2qt6 n ALA 250 N 5.56 4.14 -0.55 1.71 0.00 -0.55 -4.59 120.51 126.24 2qt6 n ALA 250 Ca -0.07 -3.62 0.08 0.00 0.00 0.00 0.00 53.44 49.82 2qt6 n ALA 250 Cb 0.49 -3.57 0.24 0.00 0.00 0.00 0.00 19.45 16.61 2qt6 n ALA 250 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2qt6 n ASN 251 N 7.82 3.73 -4.91 0.00 6.94 -1.26 -0.40 115.26 127.18 2qt6 n ASN 251 Ca 0.50 -2.44 -0.20 0.00 -0.02 0.00 0.00 54.58 52.43 2qt6 n ASN 251 Cb 0.42 -0.42 0.06 0.00 -2.36 0.00 0.00 39.78 37.47 2qt6 n ASN 251 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2qt6 n GLN 252 N 0.37 0.61 -1.99 -3.83 1.13 -1.26 -5.02 117.38 107.39 2qt6 n GLN 252 Ca 0.19 -3.12 -0.37 0.00 -1.94 0.00 0.00 57.00 51.76 2qt6 n GLN 252 Cb 0.70 -0.20 0.03 0.00 0.11 0.00 0.00 30.24 30.87 2qt6 n GLN 252 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 2qt6 s ASP 253 N -4.55 5.31 -0.00 1.08 1.01 -1.26 -4.90 116.67 113.36 2qt6 s ASP 253 Ca 0.59 2.46 -0.30 0.00 0.71 0.00 0.00 52.55 56.01 2qt6 s ASP 253 Cb -0.05 -2.61 -0.08 0.00 1.01 0.00 0.00 42.92 41.19 2qt6 s ASP 253 CO 0.37 -1.52 1.96 -0.69 0.21 0.00 0.00 175.17 175.51 2qt6 s VAL 254 N -1.52 3.07 0.00 -1.27 1.01 -1.26 -4.84 120.40 115.60 2qt6 s VAL 254 Ca 0.75 0.09 -0.18 0.00 0.00 0.00 0.00 61.98 62.63 2qt6 s VAL 254 Cb -0.32 -3.06 0.06 0.00 0.00 0.00 0.00 36.38 33.06 2qt6 s VAL 254 CO 0.36 -0.01 0.83 -0.67 0.00 0.00 0.00 175.10 175.61 2qt6 n ASP 255 N 7.95 -0.83 -4.63 3.32 -0.08 -1.26 -4.86 116.55 116.15 2qt6 n ASP 255 Ca 0.21 -1.22 -0.35 0.00 -1.51 0.00 0.00 54.79 51.93 2qt6 n ASP 255 Cb 0.42 1.30 -0.10 0.00 2.34 0.00 0.00 41.12 45.08 2qt6 n ASP 255 CO 0.00 0.00 0.00 0.20 0.12 0.00 0.00 177.20 177.52 2qt6 s ASN 256 N -2.85 5.23 -0.02 1.67 0.01 -1.26 -1.89 114.94 115.84 2qt6 s ASN 256 Ca 0.19 0.07 0.04 0.00 -0.71 0.00 0.00 52.86 52.46 2qt6 s ASN 256 Cb -0.01 -1.66 -0.01 0.00 0.41 0.00 0.00 41.25 39.99 2qt6 s ASN 256 CO 0.00 0.29 -0.14 -0.31 -1.51 0.00 0.00 177.10 175.43 2qt6 s TYR 257 N -0.34 1.30 0.21 2.20 1.51 -0.13 -4.38 117.35 117.72 2qt6 s TYR 257 Ca 0.07 -0.28 -0.30 0.00 -1.01 0.00 0.00 57.07 55.55 2qt6 s TYR 257 Cb -0.12 -0.86 -0.09 0.00 -0.11 0.00 0.00 41.96 40.78 2qt6 s TYR 257 CO 0.02 -0.06 1.30 -1.58 -1.11 0.00 0.00 175.55 174.12 2qt6 s TRP 258 N -0.20 3.27 -0.21 2.71 0.52 -1.26 -0.48 118.94 123.28 2qt6 s TRP 258 Ca 0.03 1.26 -0.12 0.00 0.02 0.00 0.00 56.10 57.29 2qt6 s TRP 258 Cb -0.07 -3.59 -0.05 0.00 -1.15 0.00 0.00 33.47 28.62 2qt6 s TRP 258 CO 0.00 -1.79 0.21 0.42 0.02 0.00 0.00 176.95 175.80 2qt6 s ILE 259 N 0.01 5.34 -0.06 2.03 1.01 0.11 -0.91 121.20 128.74 2qt6 s ILE 259 Ca 0.56 0.31 0.05 0.00 0.00 0.00 0.00 60.65 61.57 2qt6 s ILE 259 Cb -0.36 -3.54 -0.01 0.00 0.01 0.00 0.00 42.46 38.56 2qt6 s ILE 259 CO 0.39 0.36 -0.22 -0.13 0.00 0.00 0.00 174.94 175.34 2qt6 s ARG 260 N 0.83 2.32 -0.32 2.79 0.52 0.03 -0.30 118.95 124.81 2qt6 s ARG 260 Ca 0.11 -0.78 -0.01 0.00 -0.52 0.00 0.00 55.73 54.52 2qt6 s ARG 260 Cb -0.13 -1.94 0.12 0.00 0.52 0.00 0.00 34.95 33.52 2qt6 s ARG 260 CO 0.03 0.30 0.19 0.00 0.02 0.00 0.00 175.30 175.84 2qt6 s ALA 261 N -0.01 0.66 -0.26 2.13 0.00 -0.29 -1.07 121.76 122.92 2qt6 s ALA 261 Ca -0.06 -1.44 -0.17 0.00 0.00 0.00 0.00 51.96 50.30 2qt6 s ALA 261 Cb -0.14 -1.55 -0.03 0.00 0.00 0.00 0.00 23.12 21.40 2qt6 s ALA 261 CO 0.04 -1.91 0.45 1.21 0.00 0.00 0.00 175.76 175.55 2qt6 s ASN 262 N 1.56 6.36 0.70 0.00 2.47 -0.28 -4.73 114.94 121.02 2qt6 s ASN 262 Ca 0.14 0.43 -0.11 0.00 0.42 0.00 0.00 52.86 53.74 2qt6 s ASN 262 Cb -0.19 -2.25 0.01 0.00 -1.45 0.00 0.00 41.25 37.36 2qt6 s ASN 262 CO -0.16 -0.24 1.06 -2.16 -3.72 0.00 0.00 177.10 171.89 2qt6 s PRO 263 N 2.17 2.92 0.47 0.43 0.04 -1.26 -0.79 135.00 138.98 2qt6 s PRO 263 Ca 0.19 0.90 0.30 0.00 0.04 0.00 0.00 61.00 62.43 2qt6 s PRO 263 Cb -0.16 -1.99 1.16 0.00 0.04 0.00 0.00 34.50 33.55 2qt6 s PRO 263 CO 0.09 -1.10 1.88 -2.95 0.04 0.00 0.00 177.00 174.97 2qt6 h ASN 264 N -0.72 0.00 -5.00 6.66 -1.07 -1.75 -3.46 115.58 110.25 2qt6 h ASN 264 Ca -0.44 0.00 0.03 0.00 0.07 0.00 0.00 56.30 55.96 2qt6 h ASN 264 Cb 1.21 0.00 -0.03 0.00 -2.07 0.00 0.00 38.32 37.44 2qt6 h ASN 264 CO 0.58 0.00 0.25 0.72 0.07 0.00 0.00 177.43 179.05 2qt6 s PHE 265 N -3.53 -0.06 0.00 4.14 -0.71 -1.26 -5.08 117.98 111.48 2qt6 s PHE 265 Ca 0.03 -0.50 0.00 0.00 -1.04 0.00 0.00 56.93 55.42 2qt6 s PHE 265 Cb 0.09 0.77 0.00 0.00 -1.21 0.00 0.00 43.02 42.66 2qt6 s PHE 265 CO 0.53 -1.38 0.00 0.41 -1.34 0.00 0.00 175.22 173.44 2qt6 n GLY 266 N -0.49 0.94 3.52 1.99 0.00 -1.24 -4.58 105.19 105.33 2qt6 n GLY 266 Ca -0.06 -1.56 -0.43 0.00 0.00 0.00 0.00 46.02 43.97 2qt6 n GLY 266 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2qt6 s THR 267 N 0.00 4.77 0.49 2.61 2.01 -1.24 -4.94 115.64 119.34 2qt6 s THR 267 Ca 0.00 0.13 0.06 0.00 0.31 0.00 0.00 61.69 62.19 2qt6 s THR 267 Cb 0.00 -4.25 0.01 0.00 0.01 0.00 0.00 72.50 68.26 2qt6 s THR 267 CO 0.00 -0.67 0.33 0.42 -0.69 0.00 0.00 174.62 174.02 2qt6 s THR 268 N 2.96 1.94 0.00 -0.82 -4.23 -1.26 -4.71 115.64 109.52 2qt6 s THR 268 Ca 0.24 -1.53 0.00 0.00 -1.18 0.00 0.00 61.69 59.22 2qt6 s THR 268 Cb -0.14 -2.48 0.00 0.00 1.34 0.00 0.00 72.50 71.22 2qt6 s THR 268 CO 0.19 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.88 2qt6 n GLY 269 N -1.59 -1.88 0.25 3.99 0.00 -1.26 -4.74 105.19 99.96 2qt6 n GLY 269 Ca -0.01 -1.38 0.01 0.00 0.00 0.00 0.00 46.02 44.64 2qt6 n GLY 269 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2qt6 n PHE 270 N -0.08 0.00 -1.75 1.61 3.72 -1.26 -4.44 117.46 115.25 2qt6 n PHE 270 Ca 0.00 -0.15 -0.41 0.00 -0.05 0.00 0.00 57.45 56.84 2qt6 n PHE 270 Cb 0.00 -0.04 -0.01 0.00 -0.94 0.00 0.00 39.48 38.48 2qt6 n PHE 270 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2qt6 n ALA 271 N -0.20 2.62 -1.19 4.37 0.00 -1.26 -0.93 120.51 123.92 2qt6 n ALA 271 Ca 0.02 0.37 -0.06 0.00 0.00 0.00 0.00 53.44 53.76 2qt6 n ALA 271 Cb 0.59 -2.47 -0.03 0.00 0.00 0.00 0.00 19.45 17.55 2qt6 n ALA 271 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2qt6 n ASP 272 N 1.92 -5.47 0.00 0.00 8.00 -1.26 -2.40 116.55 117.34 2qt6 n ASP 272 Ca 0.07 0.16 0.00 0.00 0.71 0.00 0.00 54.79 55.73 2qt6 n ASP 272 Cb 0.37 -3.54 0.00 0.00 -0.02 0.00 0.00 41.12 37.94 2qt6 n ASP 272 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2qt6 n GLY 273 N 0.06 0.61 3.73 0.44 0.00 -0.11 -4.83 105.19 105.09 2qt6 n GLY 273 Ca -0.06 -0.41 -0.33 0.00 0.00 0.00 0.00 46.02 45.21 2qt6 n GLY 273 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2qt6 s VAL 274 N -2.00 2.52 -1.78 1.61 -7.23 -1.01 -3.30 120.40 109.21 2qt6 s VAL 274 Ca 0.00 0.23 0.00 0.00 -1.81 0.00 0.00 61.98 60.40 2qt6 s VAL 274 Cb 0.00 -2.68 0.00 0.00 0.56 0.00 0.00 36.38 34.26 2qt6 s VAL 274 CO 0.00 -0.16 0.00 0.59 -0.31 0.00 0.00 175.10 175.22 2qt6 n ASN 275 N -3.03 -5.75 -4.07 4.85 3.02 -1.26 -4.33 115.26 104.69 2qt6 n ASN 275 Ca 0.12 0.03 -0.09 0.00 -0.03 0.00 0.00 54.58 54.62 2qt6 n ASN 275 Cb 0.51 -4.79 -0.10 0.00 -0.61 0.00 0.00 39.78 34.79 2qt6 n ASN 275 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 2qt6 s SER 276 N -2.16 0.59 0.20 6.41 0.01 -1.21 -1.13 113.70 116.41 2qt6 s SER 276 Ca 0.00 -0.81 0.03 0.00 1.31 0.00 0.00 55.95 56.49 2qt6 s SER 276 Cb 0.00 0.13 -0.01 0.00 0.21 0.00 0.00 66.02 66.35 2qt6 s SER 276 CO 0.00 -0.44 0.19 0.00 0.41 0.00 0.00 173.24 173.40 2qt6 n ALA 277 N 0.66 0.30 -3.65 1.44 0.00 0.59 -4.69 120.51 115.17 2qt6 n ALA 277 Ca -0.18 -1.10 -0.31 0.00 0.00 0.00 0.00 53.44 51.85 2qt6 n ALA 277 Cb 0.58 0.89 -0.17 0.00 0.00 0.00 0.00 19.45 20.76 2qt6 n ALA 277 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2qt6 s ILE 278 N -2.76 1.87 -0.38 0.00 1.01 -0.35 -0.71 121.20 119.87 2qt6 s ILE 278 Ca 0.22 -0.87 -0.19 0.00 0.00 0.00 0.00 60.65 59.81 2qt6 s ILE 278 Cb 0.01 -1.67 0.01 0.00 0.01 0.00 0.00 42.46 40.82 2qt6 s ILE 278 CO 0.16 0.51 0.57 -0.22 0.00 0.00 0.00 174.94 175.96 2qt6 s LEU 279 N 0.86 4.42 -0.26 2.97 2.96 0.37 -0.41 118.68 129.58 2qt6 s LEU 279 Ca -0.07 -0.13 -0.03 0.00 -0.22 0.00 0.00 54.13 53.67 2qt6 s LEU 279 Cb -0.15 -2.65 0.02 0.00 0.50 0.00 0.00 46.19 43.90 2qt6 s LEU 279 CO -0.02 -0.60 -0.02 -0.60 -1.32 0.00 0.00 176.35 173.79 2qt6 s ARG 280 N 2.56 2.97 0.36 1.98 3.52 0.21 -0.95 118.95 129.59 2qt6 s ARG 280 Ca 0.20 -0.90 -0.27 0.00 -0.13 0.00 0.00 55.73 54.63 2qt6 s ARG 280 Cb -0.15 -3.08 -0.09 0.00 -1.56 0.00 0.00 34.95 30.06 2qt6 s ARG 280 CO 0.15 -0.39 1.23 0.71 -0.81 0.00 0.00 175.30 176.20 2qt6 s TYR 281 N 1.39 3.11 0.31 5.12 1.51 -0.79 -2.03 117.35 125.96 2qt6 s TYR 281 Ca 0.01 1.51 -0.28 0.00 -1.01 0.00 0.00 57.07 57.30 2qt6 s TYR 281 Cb -0.16 -3.52 -0.13 0.00 -0.11 0.00 0.00 41.96 38.03 2qt6 s TYR 281 CO -0.03 -1.51 1.10 -0.25 -1.11 0.00 0.00 175.55 173.76 2qt6 n ASP 282 N 0.53 1.80 0.00 2.29 10.43 0.36 -1.17 116.55 130.79 2qt6 n ASP 282 Ca 0.02 1.18 0.00 0.00 2.57 0.00 0.00 54.79 58.56 2qt6 n ASP 282 Cb 0.44 -1.36 0.00 0.00 1.84 0.00 0.00 41.12 42.04 2qt6 n ASP 282 CO 0.00 0.00 0.00 0.47 -1.07 0.00 0.00 177.20 176.60 2qt6 n ASP 283 N 1.03 0.00 -4.79 -2.24 10.43 -1.26 -4.82 116.55 114.91 2qt6 n ASP 283 Ca 0.08 0.00 -0.33 0.00 2.57 0.00 0.00 54.79 57.10 2qt6 n ASP 283 Cb 0.34 0.00 0.01 0.00 1.84 0.00 0.00 41.12 43.31 2qt6 n ASP 283 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 2qt6 s ALA 284 N -2.84 2.68 0.43 2.24 0.00 -0.31 -4.99 121.76 118.96 2qt6 s ALA 284 Ca 0.00 0.56 -0.25 0.00 0.00 0.00 0.00 51.96 52.27 2qt6 s ALA 284 Cb 0.00 -3.29 -0.08 0.00 0.00 0.00 0.00 23.12 19.75 2qt6 s ALA 284 CO 0.00 -0.85 1.29 -0.51 0.00 0.00 0.00 175.76 175.68 2qt6 s ASP 285 N -2.39 6.19 -1.18 0.00 -0.00 -1.26 -4.88 116.67 113.14 2qt6 s ASP 285 Ca 0.67 2.61 -0.18 0.00 -0.00 0.00 0.00 52.55 55.65 2qt6 s ASP 285 Cb -0.19 -2.63 -0.04 0.00 -0.00 0.00 0.00 42.92 40.06 2qt6 s ASP 285 CO 0.33 -0.93 2.05 -0.81 -0.00 0.00 0.00 175.17 175.81 2qt6 n PRO 286 N -0.08 2.33 -4.31 8.23 -0.04 -1.26 -4.86 135.00 135.01 2qt6 n PRO 286 Ca 0.05 -2.40 -0.16 0.00 -0.04 0.00 0.00 63.50 60.94 2qt6 n PRO 286 Cb 0.44 -3.22 -0.10 0.00 -0.04 0.00 0.00 33.50 30.59 2qt6 n PRO 286 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 2qt6 s VAL 287 N 4.51 0.83 0.52 0.52 -7.23 -1.26 -5.15 120.40 113.14 2qt6 s VAL 287 Ca 0.53 -2.01 -0.21 0.00 -1.81 0.00 0.00 61.98 58.48 2qt6 s VAL 287 Cb 0.12 -2.38 -0.06 0.00 0.56 0.00 0.00 36.38 34.62 2qt6 s VAL 287 CO 0.02 -0.27 1.17 -1.61 -0.31 0.00 0.00 175.10 174.11 2qt6 s GLU 288 N -3.92 3.45 0.83 4.82 2.02 -1.26 -4.88 118.70 119.76 2qt6 s GLU 288 Ca 0.30 1.76 -0.11 0.00 0.02 0.00 0.00 54.97 56.94 2qt6 s GLU 288 Cb 0.06 -2.18 0.09 0.00 0.10 0.00 0.00 34.13 32.21 2qt6 s GLU 288 CO 0.09 -0.80 1.14 -2.14 0.02 0.00 0.00 175.26 173.56 2qt6 s PRO 289 N -3.02 1.67 -0.16 0.39 0.02 -1.26 -4.93 135.00 127.72 2qt6 s PRO 289 Ca 0.70 1.46 0.18 0.00 0.02 0.00 0.00 61.00 63.35 2qt6 s PRO 289 Cb -0.28 -1.81 0.45 0.00 0.02 0.00 0.00 34.50 32.88 2qt6 s PRO 289 CO 0.33 -2.13 1.18 1.33 -0.33 0.00 0.00 177.00 177.38 2qt6 n VAL 290 N -3.68 1.29 -2.76 3.83 0.24 -1.26 -4.95 118.33 111.04 2qt6 n VAL 290 Ca 0.11 -2.52 -0.20 0.00 -2.04 0.00 0.00 64.34 59.69 2qt6 n VAL 290 Cb 0.52 0.35 0.04 0.00 -1.47 0.00 0.00 33.84 33.28 2qt6 n VAL 290 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 2qt6 s THR 291 N -2.38 2.70 0.37 3.34 -4.23 -1.26 -5.11 115.64 109.06 2qt6 s THR 291 Ca 0.37 -0.77 0.06 0.00 -1.18 0.00 0.00 61.69 60.17 2qt6 s THR 291 Cb 0.37 -2.93 -0.07 0.00 1.34 0.00 0.00 72.50 71.22 2qt6 s THR 291 CO -0.08 0.00 0.01 0.54 -0.54 0.00 0.00 174.62 174.54 2qt6 s ASN 292 N -4.44 3.33 0.37 3.99 6.03 -1.26 -4.88 114.94 118.08 2qt6 s ASN 292 Ca 0.58 -1.34 -0.26 0.00 -1.03 0.00 0.00 52.86 50.81 2qt6 s ASN 292 Cb -0.10 -0.28 -0.09 0.00 -3.03 0.00 0.00 41.25 37.75 2qt6 s ASN 292 CO 0.37 -0.46 1.11 -1.10 -2.03 0.00 0.00 177.10 174.99 2qt6 s GLN 293 N -3.75 4.25 0.00 3.55 -0.21 -1.26 -4.37 119.66 117.87 2qt6 s GLN 293 Ca 0.35 1.71 0.04 0.00 0.02 0.00 0.00 55.36 57.48 2qt6 s GLN 293 Cb 0.08 -2.76 -0.01 0.00 1.00 0.00 0.00 33.01 31.32 2qt6 s GLN 293 CO 0.17 -0.11 -0.14 0.95 -2.12 0.00 0.00 175.29 174.04 2qt6 s THR 294 N -1.44 1.10 0.00 -0.19 -4.23 -1.26 -4.97 115.64 104.65 2qt6 s THR 294 Ca 0.54 -0.70 0.00 0.00 -1.18 0.00 0.00 61.69 60.35 2qt6 s THR 294 Cb -0.28 -0.94 0.00 0.00 1.34 0.00 0.00 72.50 72.62 2qt6 s THR 294 CO 0.35 0.23 0.00 0.61 -0.54 0.00 0.00 174.62 175.27 2qt6 n GLY 295 N 2.51 -0.18 0.00 3.99 0.00 -1.26 -4.82 105.19 105.43 2qt6 n GLY 295 Ca -0.15 -1.55 0.00 0.00 0.00 0.00 0.00 46.02 44.32 2qt6 n GLY 295 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2qt6 n THR 296 N 0.30 0.72 -2.88 2.61 -2.24 -1.26 -4.95 114.28 106.59 2qt6 n THR 296 Ca 0.00 -0.79 -0.43 0.00 -2.27 0.00 0.00 64.05 60.56 2qt6 n THR 296 Cb 0.00 0.66 -0.04 0.00 -2.10 0.00 0.00 70.33 68.85 2qt6 n THR 296 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2qt6 s THR 297 N -0.72 4.37 -0.12 4.28 2.01 -1.26 -4.98 115.64 119.21 2qt6 s THR 297 Ca 0.00 -0.35 -0.19 0.00 0.31 0.00 0.00 61.69 61.46 2qt6 s THR 297 Cb 0.00 -4.65 -0.04 0.00 0.01 0.00 0.00 72.50 67.82 2qt6 s THR 297 CO 0.00 -1.40 0.53 -0.22 -0.69 0.00 0.00 174.62 172.85 2qt6 s LEU 298 N 3.95 4.26 0.19 4.42 2.96 -1.26 -0.07 118.68 133.13 2qt6 s LEU 298 Ca 0.22 0.87 -0.33 0.00 -0.22 0.00 0.00 54.13 54.67 2qt6 s LEU 298 Cb -0.17 -2.78 -0.14 0.00 0.50 0.00 0.00 46.19 43.59 2qt6 s LEU 298 CO 0.11 -0.06 1.37 -0.11 -1.32 0.00 0.00 176.35 176.34 2qt6 n LEU 299 N 3.90 2.51 -4.69 -0.68 7.94 -0.11 -4.96 117.00 120.90 2qt6 n LEU 299 Ca -0.05 1.13 -0.35 0.00 -1.11 0.00 0.00 56.01 55.62 2qt6 n LEU 299 Cb 0.51 -1.34 -0.09 0.00 0.53 0.00 0.00 43.42 43.03 2qt6 n LEU 299 CO 0.44 -0.73 -0.26 -0.76 -1.11 0.00 0.00 177.39 174.96 2qt6 s LEU 300 N 0.45 3.81 0.51 -1.96 1.43 -1.26 -4.70 118.68 116.96 2qt6 s LEU 300 Ca 0.74 0.16 0.17 0.00 -1.03 0.00 0.00 54.13 54.17 2qt6 s LEU 300 Cb -0.75 -1.93 1.24 0.00 0.03 0.00 0.00 46.19 44.79 2qt6 s LEU 300 CO 0.48 0.29 2.10 -0.08 0.23 0.00 0.00 176.35 179.37 2qt6 h GLU 301 N 5.86 0.07 0.00 1.70 4.81 -1.94 0.08 114.58 125.17 2qt6 h GLU 301 Ca -0.45 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.78 2qt6 h GLU 301 Cb 1.19 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.55 2qt6 h GLU 301 CO 0.62 0.05 0.00 0.25 -0.73 0.00 0.00 179.01 179.20 2qt6 n THR 302 N -4.50 0.97 1.25 0.32 -2.24 -1.26 -1.57 114.28 107.25 2qt6 n THR 302 Ca 0.01 0.24 0.13 0.00 -2.27 0.00 0.00 64.05 62.16 2qt6 n THR 302 Cb 0.20 -1.00 0.33 0.00 -2.10 0.00 0.00 70.33 67.76 2qt6 n THR 302 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2qt6 n ASP 303 N -1.47 2.19 -4.71 3.42 8.00 0.02 -4.87 116.55 119.12 2qt6 n ASP 303 Ca 0.04 -1.73 -0.38 0.00 0.71 0.00 0.00 54.79 53.43 2qt6 n ASP 303 Cb 0.16 -0.01 -0.06 0.00 -0.02 0.00 0.00 41.12 41.19 2qt6 n ASP 303 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2qt6 s LEU 304 N -1.97 4.25 -0.00 0.64 1.43 -0.61 -4.91 118.68 117.50 2qt6 s LEU 304 Ca 0.34 0.80 -0.01 0.00 -1.03 0.00 0.00 54.13 54.23 2qt6 s LEU 304 Cb 0.21 -2.71 -0.00 0.00 0.03 0.00 0.00 46.19 43.71 2qt6 s LEU 304 CO 0.32 -0.04 0.02 -1.00 0.23 0.00 0.00 176.35 175.87 2qt6 s HIS 305 N 0.85 0.04 0.54 0.29 3.76 -1.26 -2.70 115.29 116.80 2qt6 s HIS 305 Ca 0.26 -0.07 -0.22 0.00 -0.15 0.00 0.00 55.06 54.88 2qt6 s HIS 305 Cb -0.15 -0.04 -0.05 0.00 1.11 0.00 0.00 32.58 33.45 2qt6 s HIS 305 CO 0.10 -0.06 1.35 -2.14 -0.85 0.00 0.00 174.74 173.14 2qt6 s PRO 306 N -0.36 3.17 0.17 8.40 0.02 -1.26 -0.47 135.00 144.67 2qt6 s PRO 306 Ca -0.04 2.21 -0.09 0.00 0.02 0.00 0.00 61.00 63.10 2qt6 s PRO 306 Cb -0.03 -2.27 0.04 0.00 0.02 0.00 0.00 34.50 32.27 2qt6 s PRO 306 CO -0.00 -1.16 1.56 1.25 -0.33 0.00 0.00 177.00 178.33 2qt6 h LEU 307 N 1.49 0.99 -9.43 -5.54 5.85 -1.42 -3.38 115.31 103.86 2qt6 h LEU 307 Ca -0.51 -0.37 -0.66 0.00 0.84 0.00 0.00 57.88 57.18 2qt6 h LEU 307 Cb 1.30 -0.27 -0.13 0.00 0.37 0.00 0.00 40.66 41.93 2qt6 h LEU 307 CO 0.57 1.16 -0.66 0.42 -0.34 0.00 0.00 178.44 179.59 2qt6 s THR 308 N -4.66 4.04 0.19 1.05 -4.23 -1.26 -4.88 115.64 105.88 2qt6 s THR 308 Ca -0.11 -0.87 -0.32 0.00 -1.18 0.00 0.00 61.69 59.21 2qt6 s THR 308 Cb 0.12 -2.88 -0.11 0.00 1.34 0.00 0.00 72.50 70.97 2qt6 s THR 308 CO 0.87 0.20 1.72 -0.44 -0.54 0.00 0.00 174.62 176.43 2qt6 s SER 309 N -2.07 6.42 -0.45 3.99 0.01 -1.26 -4.95 113.70 115.39 2qt6 s SER 309 Ca 0.24 2.81 0.03 0.00 1.31 0.00 0.00 55.95 60.34 2qt6 s SER 309 Cb -0.12 -2.59 0.16 0.00 0.21 0.00 0.00 66.02 63.68 2qt6 s SER 309 CO 0.16 -0.96 0.31 -0.04 0.41 0.00 0.00 173.24 173.12 2qt6 s MET 310 N 1.45 1.16 0.70 12.44 -1.94 -1.26 -5.13 119.30 126.72 2qt6 s MET 310 Ca 0.75 -2.11 -0.17 0.00 -1.71 0.00 0.00 55.69 52.45 2qt6 s MET 310 Cb -0.48 -1.92 0.01 0.00 2.01 0.00 0.00 34.83 34.45 2qt6 s MET 310 CO 0.33 -1.28 1.19 -2.30 -0.01 0.00 0.00 175.02 172.94 2qt6 n PRO 311 N 3.13 0.77 -3.08 2.03 -0.02 -1.26 -4.87 135.00 131.69 2qt6 n PRO 311 Ca 0.19 0.32 -0.41 0.00 -2.02 0.00 0.00 63.50 61.59 2qt6 n PRO 311 Cb 0.40 -2.43 -0.06 0.00 -0.02 0.00 0.00 33.50 31.40 2qt6 n PRO 311 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2qt6 s VAL 312 N -1.65 4.98 0.51 -1.45 1.01 -1.26 -5.03 120.40 117.51 2qt6 s VAL 312 Ca 0.78 1.21 -0.22 0.00 0.00 0.00 0.00 61.98 63.75 2qt6 s VAL 312 Cb -0.36 -3.96 -0.06 0.00 0.00 0.00 0.00 36.38 32.00 2qt6 s VAL 312 CO 0.45 0.05 1.25 -2.84 0.00 0.00 0.00 175.10 174.01 2qt6 s PRO 313 N 2.33 3.42 0.07 2.72 0.02 -1.26 -4.86 135.00 137.44 2qt6 s PRO 313 Ca 0.28 1.97 0.00 0.00 0.02 0.00 0.00 61.00 63.27 2qt6 s PRO 313 Cb -0.16 -2.29 0.00 0.00 0.02 0.00 0.00 34.50 32.07 2qt6 s PRO 313 CO 0.09 -0.89 0.00 0.41 -0.33 0.00 0.00 177.00 176.28 2qt6 n GLY 314 N 0.57 -2.93 3.79 0.52 0.00 -1.26 -4.85 105.19 101.02 2qt6 n GLY 314 Ca 0.09 -1.74 -0.36 0.00 0.00 0.00 0.00 46.02 44.01 2qt6 n GLY 314 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2qt6 s ASN 315 N -1.57 7.05 -1.45 1.61 0.02 0.65 -4.93 114.94 116.32 2qt6 s ASN 315 Ca 0.00 1.87 -0.11 0.00 -1.02 0.00 0.00 52.86 53.61 2qt6 s ASN 315 Cb 0.00 -2.57 -0.06 0.00 0.02 0.00 0.00 41.25 38.64 2qt6 s ASN 315 CO 0.00 -0.28 2.64 -0.81 0.02 0.00 0.00 177.10 178.67 2qt6 n PRO 316 N 0.08 3.18 -3.65 -0.60 -0.04 -1.26 -4.40 135.00 128.31 2qt6 n PRO 316 Ca 0.04 -2.15 -0.11 0.00 -0.04 0.00 0.00 63.50 61.24 2qt6 n PRO 316 Cb 0.51 -2.85 -0.05 0.00 -0.04 0.00 0.00 33.50 31.07 2qt6 n PRO 316 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 2qt6 s THR 317 N 2.70 0.07 0.26 0.52 -4.23 -1.26 -5.02 115.64 108.68 2qt6 s THR 317 Ca 0.60 -0.55 -0.31 0.00 -1.18 0.00 0.00 61.69 60.25 2qt6 s THR 317 Cb 0.16 -1.09 -0.12 0.00 1.34 0.00 0.00 72.50 72.79 2qt6 s THR 317 CO -0.05 -0.30 1.62 0.00 -0.54 0.00 0.00 174.62 175.34 2qt6 n GLN 318 N 0.07 2.67 -1.21 3.99 6.02 -1.26 -1.17 117.38 126.48 2qt6 n GLN 318 Ca -0.17 0.96 -0.07 0.00 -0.01 0.00 0.00 57.00 57.70 2qt6 n GLN 318 Cb 0.62 -2.75 -0.03 0.00 1.02 0.00 0.00 30.24 29.10 2qt6 n GLN 318 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2qt6 n GLY 319 N 2.70 0.93 0.15 1.08 0.00 -1.26 -4.92 105.19 103.88 2qt6 n GLY 319 Ca 0.11 -0.57 0.09 0.00 0.00 0.00 0.00 46.02 45.66 2qt6 n GLY 319 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qt6 n GLY 320 N -1.87 -0.65 3.97 -0.02 0.00 -0.32 -4.91 105.19 101.39 2qt6 n GLY 320 Ca -0.07 -0.19 -0.22 0.00 0.00 0.00 0.00 46.02 45.53 2qt6 n GLY 320 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qt6 s ALA 321 N -1.94 3.73 0.20 4.61 0.00 -1.26 -0.25 121.76 126.85 2qt6 s ALA 321 Ca 0.28 -1.27 -0.10 0.00 0.00 0.00 0.00 51.96 50.87 2qt6 s ALA 321 Cb 0.14 -2.18 0.21 0.00 0.00 0.00 0.00 23.12 21.28 2qt6 s ALA 321 CO 0.22 -0.92 1.81 -0.44 0.00 0.00 0.00 175.76 176.43 2qt6 h ASP 322 N -0.11 0.54 -3.44 0.00 3.32 -1.72 -3.41 116.42 111.60 2qt6 h ASP 322 Ca -0.42 0.02 -0.48 0.00 0.02 0.00 0.00 57.03 56.17 2qt6 h ASP 322 Cb 1.30 -0.08 -0.33 0.00 0.22 0.00 0.00 39.33 40.43 2qt6 h ASP 322 CO 0.53 0.36 -0.80 -0.22 -1.72 0.00 0.00 179.24 177.39 2qt6 s LEU 323 N -10.25 1.56 -0.18 1.55 2.96 -0.73 -5.02 118.68 108.58 2qt6 s LEU 323 Ca -0.13 -0.25 0.01 0.00 -0.22 0.00 0.00 54.13 53.55 2qt6 s LEU 323 Cb 0.15 -0.71 0.03 0.00 0.50 0.00 0.00 46.19 46.16 2qt6 s LEU 323 CO 0.76 0.01 -0.16 0.20 -1.32 0.00 0.00 176.35 175.83 2qt6 s ASN 324 N 0.72 3.15 -0.05 3.68 0.01 -1.26 -1.02 114.94 120.16 2qt6 s ASN 324 Ca -0.14 -0.70 0.07 0.00 -0.71 0.00 0.00 52.86 51.38 2qt6 s ASN 324 Cb -0.15 -1.37 -0.01 0.00 0.41 0.00 0.00 41.25 40.13 2qt6 s ASN 324 CO 0.03 -0.05 -0.25 -0.76 -1.51 0.00 0.00 177.10 174.55 2qt6 s LEU 325 N 1.34 2.06 -0.09 0.60 1.43 0.68 -4.99 118.68 119.72 2qt6 s LEU 325 Ca 0.03 -0.50 0.00 0.00 -1.03 0.00 0.00 54.13 52.63 2qt6 s LEU 325 Cb -0.14 -1.36 -0.03 0.00 0.03 0.00 0.00 46.19 44.69 2qt6 s LEU 325 CO -0.11 0.26 -0.08 0.21 0.23 0.00 0.00 176.35 176.86 2qt6 s ASN 326 N -0.28 4.49 -0.41 2.29 2.47 -1.26 -1.29 114.94 120.96 2qt6 s ASN 326 Ca -0.00 -0.12 -0.08 0.00 0.42 0.00 0.00 52.86 53.08 2qt6 s ASN 326 Cb -0.13 -1.33 0.08 0.00 -1.45 0.00 0.00 41.25 38.43 2qt6 s ASN 326 CO 0.03 0.29 0.23 -0.04 -3.72 0.00 0.00 177.10 173.89 2qt6 s MET 327 N -0.36 2.49 -0.30 0.43 -1.94 -0.01 -4.89 119.30 114.72 2qt6 s MET 327 Ca 0.05 -1.51 -0.17 0.00 -1.71 0.00 0.00 55.69 52.34 2qt6 s MET 327 Cb -0.12 -3.71 -0.02 0.00 2.01 0.00 0.00 34.83 32.99 2qt6 s MET 327 CO 0.02 -0.95 0.47 0.00 -0.01 0.00 0.00 175.02 174.55 2qt6 s ALA 328 N 1.36 3.53 0.31 3.03 0.00 -1.26 -4.09 121.76 124.64 2qt6 s ALA 328 Ca 0.03 -0.86 -0.12 0.00 0.00 0.00 0.00 51.96 51.02 2qt6 s ALA 328 Cb -0.23 -2.90 -0.08 0.00 0.00 0.00 0.00 23.12 19.92 2qt6 s ALA 328 CO 0.01 -0.94 0.67 -0.06 0.00 0.00 0.00 175.76 175.44 2qt6 s PHE 329 N 2.28 3.41 0.30 0.00 2.99 -1.26 -0.47 117.98 125.22 2qt6 s PHE 329 Ca 0.18 1.05 -0.12 0.00 0.00 0.00 0.00 56.93 58.04 2qt6 s PHE 329 Cb -0.16 -2.41 0.01 0.00 0.00 0.00 0.00 43.02 40.47 2qt6 s PHE 329 CO 0.11 0.12 0.56 1.21 -0.00 0.00 0.00 175.22 177.22 2qt6 s ASN 330 N -2.51 0.15 -0.24 1.36 3.84 -0.27 -4.62 114.94 112.66 2qt6 s ASN 330 Ca 0.51 -1.07 -0.25 0.00 0.21 0.00 0.00 52.86 52.26 2qt6 s ASN 330 Cb -0.11 0.67 0.07 0.00 -0.55 0.00 0.00 41.25 41.34 2qt6 s ASN 330 CO 0.22 -1.31 0.71 0.12 -2.79 0.00 0.00 177.10 174.05 2qt6 s PHE 331 N -3.45 -0.77 -0.34 0.43 5.36 -0.87 -0.55 117.98 117.79 2qt6 s PHE 331 Ca 0.22 1.83 0.06 0.00 -0.96 0.00 0.00 56.93 58.08 2qt6 s PHE 331 Cb -0.02 0.28 0.16 0.00 -0.34 0.00 0.00 43.02 43.11 2qt6 s PHE 331 CO 0.12 -0.40 1.13 -0.40 -1.46 0.00 0.00 175.22 174.21 2qt6 n ASP 332 N 2.51 2.47 0.00 6.13 3.85 -0.88 -4.94 116.55 125.69 2qt6 n ASP 332 Ca -0.14 -2.17 0.00 0.00 -0.71 0.00 0.00 54.79 51.77 2qt6 n ASP 332 Cb 0.55 -0.15 0.00 0.00 -1.35 0.00 0.00 41.12 40.17 2qt6 n ASP 332 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2qt6 n GLY 333 N -0.24 3.04 0.91 6.12 0.00 -1.26 -4.78 105.19 108.98 2qt6 n GLY 333 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 2qt6 n GLY 333 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2qt6 n THR 334 N -1.19 0.00 -4.57 2.61 -1.04 -1.26 -5.10 114.28 103.73 2qt6 n THR 334 Ca 0.00 0.00 -0.30 0.00 -2.04 0.00 0.00 64.05 61.71 2qt6 n THR 334 Cb 0.00 -0.88 -0.13 0.00 -1.82 0.00 0.00 70.33 67.50 2qt6 n THR 334 CO 0.00 0.00 0.00 0.20 -0.64 0.00 0.00 175.07 174.63 2qt6 s ASN 335 N -4.56 3.58 0.25 8.00 0.01 -1.26 -4.86 114.94 116.10 2qt6 s ASN 335 Ca 0.00 -0.56 -0.04 0.00 -0.71 0.00 0.00 52.86 51.55 2qt6 s ASN 335 Cb 0.00 -0.44 -0.05 0.00 0.41 0.00 0.00 41.25 41.17 2qt6 s ASN 335 CO 0.00 0.22 0.49 -0.36 -1.51 0.00 0.00 177.10 175.94 2qt6 s PHE 336 N -0.98 3.48 0.04 2.20 0.08 0.20 -2.07 117.98 120.93 2qt6 s PHE 336 Ca 0.15 0.54 0.04 0.00 0.12 0.00 0.00 56.93 57.78 2qt6 s PHE 336 Cb -0.10 -2.02 -0.02 0.00 -0.57 0.00 0.00 43.02 40.31 2qt6 s PHE 336 CO 0.06 0.25 -0.11 -0.06 -0.10 0.00 0.00 175.22 175.26 2qt6 s PHE 337 N -1.99 0.99 -0.11 0.36 0.08 0.28 -4.03 117.98 113.56 2qt6 s PHE 337 Ca 0.42 -0.38 0.01 0.00 0.12 0.00 0.00 56.93 57.10 2qt6 s PHE 337 Cb -0.11 -0.59 0.02 0.00 -0.57 0.00 0.00 43.02 41.77 2qt6 s PHE 337 CO 0.29 0.00 -0.12 0.42 -0.10 0.00 0.00 175.22 175.71 2qt6 s ILE 338 N -0.97 1.33 -1.54 0.64 1.01 0.34 -1.11 121.20 120.89 2qt6 s ILE 338 Ca -0.02 -0.51 -0.13 0.00 0.00 0.00 0.00 60.65 59.98 2qt6 s ILE 338 Cb -0.08 -1.26 0.09 0.00 0.01 0.00 0.00 42.46 41.22 2qt6 s ILE 338 CO 0.01 0.41 0.91 0.59 0.00 0.00 0.00 174.94 176.86 2qt6 n ASN 339 N 4.51 -4.09 0.00 3.58 3.02 0.38 -1.94 115.26 120.71 2qt6 n ASN 339 Ca -0.17 -0.83 0.00 0.00 -0.03 0.00 0.00 54.58 53.55 2qt6 n ASN 339 Cb 0.51 -3.66 0.00 0.00 -0.61 0.00 0.00 39.78 36.02 2qt6 n ASN 339 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2qt6 n GLY 340 N -1.64 0.82 3.08 7.41 0.00 -1.26 -5.02 105.19 108.58 2qt6 n GLY 340 Ca 0.01 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.75 2qt6 n GLY 340 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2qt6 s GLU 341 N -0.32 2.23 -0.08 1.61 0.41 -0.82 -5.04 118.70 116.69 2qt6 s GLU 341 Ca 0.00 -0.58 -0.18 0.00 -0.41 0.00 0.00 54.97 53.80 2qt6 s GLU 341 Cb 0.00 -1.82 -0.05 0.00 -1.78 0.00 0.00 34.13 30.48 2qt6 s GLU 341 CO 0.00 0.02 0.49 0.45 -0.49 0.00 0.00 175.26 175.73 2qt6 s SER 342 N 0.74 6.76 -0.01 -0.19 0.15 -1.26 -0.50 113.70 119.39 2qt6 s SER 342 Ca -0.12 0.90 -0.30 0.00 0.70 0.00 0.00 55.95 57.13 2qt6 s SER 342 Cb -0.16 -2.29 -0.06 0.00 -1.71 0.00 0.00 66.02 61.80 2qt6 s SER 342 CO 0.02 0.08 1.45 0.12 1.20 0.00 0.00 173.24 176.12 2qt6 s PHE 343 N 0.18 2.69 -0.06 3.44 5.36 -0.14 -5.01 117.98 124.44 2qt6 s PHE 343 Ca 0.26 0.69 0.04 0.00 -0.96 0.00 0.00 56.93 56.96 2qt6 s PHE 343 Cb -0.16 -3.72 0.00 0.00 -0.34 0.00 0.00 43.02 38.80 2qt6 s PHE 343 CO 0.12 -2.75 -0.17 0.95 -1.46 0.00 0.00 175.22 171.91 2qt6 s THR 344 N 2.69 1.46 0.41 0.12 -4.23 -1.26 -4.10 115.64 110.72 2qt6 s THR 344 Ca 0.66 -0.70 -0.27 0.00 -1.18 0.00 0.00 61.69 60.20 2qt6 s THR 344 Cb -0.32 -1.27 -0.10 0.00 1.34 0.00 0.00 72.50 72.15 2qt6 s THR 344 CO 0.27 0.42 1.47 -0.81 -0.54 0.00 0.00 174.62 175.43 2qt6 n PRO 345 N 3.40 2.52 -1.82 3.99 -0.04 -1.26 -4.52 135.00 137.27 2qt6 n PRO 345 Ca -0.20 0.89 -0.31 0.00 -0.04 0.00 0.00 63.50 63.84 2qt6 n PRO 345 Cb 0.53 -2.66 0.02 0.00 -0.04 0.00 0.00 33.50 31.34 2qt6 n PRO 345 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 2qt6 s PRO 346 N -2.24 3.44 0.19 0.54 0.04 -1.26 -4.96 135.00 130.75 2qt6 s PRO 346 Ca 0.56 0.82 -0.03 0.00 0.04 0.00 0.00 61.00 62.39 2qt6 s PRO 346 Cb -0.46 -2.06 0.13 0.00 0.04 0.00 0.00 34.50 32.14 2qt6 s PRO 346 CO 0.61 -0.70 1.53 1.15 0.04 0.00 0.00 177.00 179.63 2qt6 h THR 347 N -0.36 1.31 -3.52 1.26 2.02 -1.93 -3.41 112.91 108.28 2qt6 h THR 347 Ca -0.44 -1.70 -0.62 0.00 0.77 0.00 0.00 66.41 64.42 2qt6 h THR 347 Cb 1.20 1.66 -0.15 0.00 -1.74 0.00 0.00 68.15 69.12 2qt6 h THR 347 CO 0.61 0.54 -0.52 -0.69 0.37 0.00 0.00 175.52 175.82 2qt6 s VAL 348 N -4.11 5.21 0.53 3.16 1.01 -1.26 -5.03 120.40 119.91 2qt6 s VAL 348 Ca -0.08 0.13 -0.21 0.00 0.00 0.00 0.00 61.98 61.81 2qt6 s VAL 348 Cb 0.12 -3.41 -0.07 0.00 0.00 0.00 0.00 36.38 33.02 2qt6 s VAL 348 CO 0.84 0.37 1.14 -2.65 0.00 0.00 0.00 175.10 174.80 2qt6 n PRO 349 N 4.15 1.37 -0.27 2.72 -0.02 -1.26 -4.66 135.00 137.02 2qt6 n PRO 349 Ca -0.15 0.50 0.02 0.00 -2.02 0.00 0.00 63.50 61.85 2qt6 n PRO 349 Cb 0.52 -2.30 0.15 0.00 -0.02 0.00 0.00 33.50 31.85 2qt6 n PRO 349 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2qt6 h VAL 350 N 1.19 0.90 -0.54 -1.45 2.07 -0.97 0.15 116.25 117.59 2qt6 h VAL 350 Ca -0.48 -0.25 -0.01 0.00 0.82 0.00 0.00 66.70 66.78 2qt6 h VAL 350 Cb 1.33 0.11 -0.03 0.00 -1.52 0.00 0.00 31.29 31.18 2qt6 h VAL 350 CO 0.55 0.13 0.30 0.25 0.02 0.00 0.00 177.57 178.82 2qt6 h LEU 351 N 0.73 0.67 -1.20 2.57 5.85 -1.32 -1.79 115.31 120.81 2qt6 h LEU 351 Ca 0.37 -0.09 -0.05 0.00 0.84 0.00 0.00 57.88 58.96 2qt6 h LEU 351 Cb 0.35 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.19 2qt6 h LEU 351 CO -0.25 0.57 0.03 0.25 -0.34 0.00 0.00 178.44 178.70 2qt6 h LEU 352 N 0.73 0.54 -0.63 2.25 5.85 -1.47 -0.77 115.31 121.80 2qt6 h LEU 352 Ca 0.19 -0.10 0.04 0.00 0.84 0.00 0.00 57.88 58.86 2qt6 h LEU 352 Cb 0.04 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 40.88 2qt6 h LEU 352 CO -0.03 0.59 0.37 1.56 -0.34 0.00 0.00 178.44 180.58 2qt6 h GLN 353 N 0.56 0.68 -0.17 1.25 4.20 -0.05 0.40 115.11 121.98 2qt6 h GLN 353 Ca 0.12 -0.04 -0.05 0.00 0.06 0.00 0.00 58.65 58.74 2qt6 h GLN 353 Cb 0.31 -0.15 -0.00 0.00 0.30 0.00 0.00 27.48 27.93 2qt6 h GLN 353 CO 0.01 0.45 -0.09 0.82 -0.67 0.00 0.00 178.83 179.35 2qt6 h ILE 354 N 0.70 1.31 -0.75 2.54 2.04 -0.81 -0.75 117.51 121.80 2qt6 h ILE 354 Ca 0.27 -1.14 0.09 0.00 1.00 0.00 0.00 64.86 65.08 2qt6 h ILE 354 Cb 0.11 1.70 -0.05 0.00 -0.74 0.00 0.00 36.82 37.83 2qt6 h ILE 354 CO -0.14 0.34 0.49 0.40 0.00 0.00 0.00 178.15 179.23 2qt6 h ILE 355 N 0.04 0.96 -0.01 -0.67 2.04 -1.00 -0.79 117.51 118.09 2qt6 h ILE 355 Ca 0.04 -0.24 0.00 0.00 1.00 0.00 0.00 64.86 65.66 2qt6 h ILE 355 Cb 0.57 0.21 0.00 0.00 -0.74 0.00 0.00 36.82 36.86 2qt6 h ILE 355 CO 0.03 0.13 0.00 -1.20 0.00 0.00 0.00 178.15 177.10 2qt6 n SER 356 N -4.49 0.23 0.00 1.72 7.64 0.12 -4.88 113.62 113.95 2qt6 n SER 356 Ca 0.12 -1.16 0.00 0.00 1.01 0.00 0.00 58.87 58.84 2qt6 n SER 356 Cb 0.30 -0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.50 2qt6 n SER 356 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2qt6 n GLY 357 N 0.98 1.22 3.72 0.23 0.00 -0.30 -5.04 105.19 106.00 2qt6 n GLY 357 Ca 0.21 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.82 2qt6 n GLY 357 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qt6 s ALA 358 N -1.91 3.35 -0.01 4.61 0.00 -0.32 -4.91 121.76 122.56 2qt6 s ALA 358 Ca 0.00 0.79 0.02 0.00 0.00 0.00 0.00 51.96 52.77 2qt6 s ALA 358 Cb 0.00 -3.39 0.03 0.00 0.00 0.00 0.00 23.12 19.76 2qt6 s ALA 358 CO 0.00 -0.30 0.84 0.27 0.00 0.00 0.00 175.76 176.57 2qt6 n ASN 359 N 3.17 0.39 -4.04 0.00 0.23 -1.26 -4.29 115.26 109.46 2qt6 n ASN 359 Ca 0.06 -1.76 -0.11 0.00 -0.53 0.00 0.00 54.58 52.24 2qt6 n ASN 359 Cb 0.47 -0.14 -0.11 0.00 -2.08 0.00 0.00 39.78 37.92 2qt6 n ASN 359 CO 0.00 0.00 0.00 0.42 -0.93 0.00 0.00 177.26 176.75 2qt6 s THR 360 N -0.37 0.35 0.21 5.53 -4.23 -1.26 -4.92 115.64 110.95 2qt6 s THR 360 Ca 0.03 -1.14 -0.09 0.00 -1.18 0.00 0.00 61.69 59.31 2qt6 s THR 360 Cb 0.03 -0.63 0.14 0.00 1.34 0.00 0.00 72.50 73.38 2qt6 s THR 360 CO 0.00 -0.52 1.80 0.00 -0.54 0.00 0.00 174.62 175.36 2qt6 h ALA 361 N 4.32 0.89 0.00 3.99 0.00 -1.94 -2.33 119.26 124.18 2qt6 h ALA 361 Ca -0.34 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.56 2qt6 h ALA 361 Cb 1.20 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 2qt6 h ALA 361 CO 0.45 0.01 -0.17 -0.56 0.00 0.00 0.00 179.25 178.98 2qt6 h GLN 362 N 0.65 0.00 0.00 0.00 -0.00 -1.96 -1.78 115.11 112.01 2qt6 h GLN 362 Ca 0.30 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.95 2qt6 h GLN 362 Cb 0.22 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.70 2qt6 h GLN 362 CO -0.20 0.17 -0.41 -0.44 -0.00 0.00 0.00 178.83 177.95 2qt6 h ASP 363 N 0.00 0.00 -3.77 0.06 3.32 -1.85 -3.46 116.42 110.72 2qt6 h ASP 363 Ca -0.00 -0.09 -0.50 0.00 0.02 0.00 0.00 57.03 56.46 2qt6 h ASP 363 Cb 0.36 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.90 2qt6 h ASP 363 CO 0.02 0.05 0.39 -0.76 -1.72 0.00 0.00 179.24 177.22 2qt6 s LEU 364 N -4.74 4.61 -0.05 1.55 1.43 -0.67 -4.99 118.68 115.82 2qt6 s LEU 364 Ca 0.07 2.06 -0.08 0.00 -1.03 0.00 0.00 54.13 55.15 2qt6 s LEU 364 Cb 0.11 -3.62 -0.05 0.00 0.03 0.00 0.00 46.19 42.67 2qt6 s LEU 364 CO 0.69 0.05 0.23 -0.76 0.23 0.00 0.00 176.35 176.79 2qt6 s LEU 365 N -1.26 4.40 0.31 1.79 1.43 -1.26 -3.79 118.68 120.29 2qt6 s LEU 365 Ca 0.42 0.57 -0.26 0.00 -1.03 0.00 0.00 54.13 53.83 2qt6 s LEU 365 Cb -0.28 -2.40 -0.10 0.00 0.03 0.00 0.00 46.19 43.45 2qt6 s LEU 365 CO 0.35 0.33 0.93 -2.16 0.23 0.00 0.00 176.35 176.04 2qt6 s PRO 366 N -1.35 4.61 0.26 1.29 0.04 -1.26 -4.64 135.00 133.94 2qt6 s PRO 366 Ca 0.21 1.33 -0.31 0.00 0.04 0.00 0.00 61.00 62.28 2qt6 s PRO 366 Cb -0.13 -2.87 -0.12 0.00 0.04 0.00 0.00 34.50 31.42 2qt6 s PRO 366 CO 0.11 0.32 1.64 0.45 0.04 0.00 0.00 177.00 179.55 2qt6 s SER 367 N -1.56 6.37 0.00 6.66 0.15 -1.25 -2.34 113.70 121.74 2qt6 s SER 367 Ca 0.49 2.92 0.00 0.00 0.70 0.00 0.00 55.95 60.05 2qt6 s SER 367 Cb -0.20 -2.62 0.00 0.00 -1.71 0.00 0.00 66.02 61.49 2qt6 s SER 367 CO 0.25 -0.94 0.00 0.61 1.20 0.00 0.00 173.24 174.36 2qt6 n GLY 368 N 2.80 1.50 0.45 9.45 0.00 -1.26 -4.85 105.19 113.29 2qt6 n GLY 368 Ca 0.11 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.18 2qt6 n GLY 368 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2qt6 n SER 369 N 0.00 1.95 -4.45 1.61 7.64 -0.99 -4.81 113.62 114.56 2qt6 n SER 369 Ca 0.00 -1.47 -0.33 0.00 1.01 0.00 0.00 58.87 58.08 2qt6 n SER 369 Cb 0.00 -0.00 -0.13 0.00 -1.01 0.00 0.00 64.21 63.06 2qt6 n SER 369 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2qt6 s VAL 370 N -0.93 3.26 -0.14 0.44 1.01 -1.25 -0.65 120.40 122.13 2qt6 s VAL 370 Ca 0.13 -0.62 0.02 0.00 0.00 0.00 0.00 61.98 61.51 2qt6 s VAL 370 Cb 0.09 -2.34 0.01 0.00 0.00 0.00 0.00 36.38 34.15 2qt6 s VAL 370 CO 0.14 0.55 -0.20 -0.31 0.00 0.00 0.00 175.10 175.28 2qt6 s TYR 371 N -0.17 2.52 0.14 5.22 1.51 0.32 -4.75 117.35 122.12 2qt6 s TYR 371 Ca 0.01 -1.30 -0.30 0.00 -1.01 0.00 0.00 57.07 54.46 2qt6 s TYR 371 Cb -0.13 -1.74 -0.07 0.00 -0.11 0.00 0.00 41.96 39.91 2qt6 s TYR 371 CO 0.03 -0.62 1.09 0.45 -1.11 0.00 0.00 175.55 175.39 2qt6 s SER 372 N 0.96 7.27 -0.12 2.29 0.15 -1.26 0.06 113.70 123.05 2qt6 s SER 372 Ca -0.04 2.01 0.01 0.00 0.70 0.00 0.00 55.95 58.62 2qt6 s SER 372 Cb -0.15 -2.60 -0.01 0.00 -1.71 0.00 0.00 66.02 61.56 2qt6 s SER 372 CO -0.04 -0.25 -0.16 -0.76 1.20 0.00 0.00 173.24 173.23 2qt6 s LEU 373 N 0.03 2.54 0.52 3.45 1.43 -0.27 -4.90 118.68 121.48 2qt6 s LEU 373 Ca 0.51 -0.40 -0.19 0.00 -1.03 0.00 0.00 54.13 53.02 2qt6 s LEU 373 Cb -0.28 -1.56 -0.07 0.00 0.03 0.00 0.00 46.19 44.32 2qt6 s LEU 373 CO 0.33 0.16 1.06 -2.16 0.23 0.00 0.00 176.35 175.96 2qt6 s PRO 374 N 0.39 3.59 0.57 1.29 0.04 -1.26 -0.84 135.00 138.78 2qt6 s PRO 374 Ca -0.12 1.37 -0.21 0.00 0.04 0.00 0.00 61.00 62.08 2qt6 s PRO 374 Cb -0.16 -2.06 -0.04 0.00 0.04 0.00 0.00 34.50 32.27 2qt6 s PRO 374 CO 0.06 -0.61 1.27 0.45 0.04 0.00 0.00 177.00 178.22 2qt6 n SER 375 N -1.29 2.23 -3.83 6.66 2.88 -1.26 -3.86 113.62 115.14 2qt6 n SER 375 Ca 0.10 0.93 -0.30 0.00 -1.33 0.00 0.00 58.87 58.26 2qt6 n SER 375 Cb 0.52 -1.54 0.01 0.00 -0.75 0.00 0.00 64.21 62.46 2qt6 n SER 375 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 2qt6 n ASN 376 N -1.08 -3.13 -4.07 -3.46 5.15 -1.25 -4.95 115.26 102.47 2qt6 n ASN 376 Ca 0.12 -0.89 -0.16 0.00 -0.60 0.00 0.00 54.58 53.06 2qt6 n ASN 376 Cb 0.45 -1.15 -0.12 0.00 -0.53 0.00 0.00 39.78 38.43 2qt6 n ASN 376 CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 2qt6 s SER 377 N -3.56 1.09 0.24 1.20 0.01 -1.25 -4.93 113.70 106.50 2qt6 s SER 377 Ca 0.25 -0.46 -0.30 0.00 1.31 0.00 0.00 55.95 56.75 2qt6 s SER 377 Cb -0.14 -0.02 -0.09 0.00 0.21 0.00 0.00 66.02 65.98 2qt6 s SER 377 CO 0.70 -0.09 0.97 -0.94 0.41 0.00 0.00 173.24 174.28 2qt6 s SER 378 N -1.25 7.58 -0.06 2.44 1.04 -1.26 -0.92 113.70 121.26 2qt6 s SER 378 Ca -0.04 1.99 0.05 0.00 0.48 0.00 0.00 55.95 58.42 2qt6 s SER 378 Cb -0.08 -2.61 -0.00 0.00 0.10 0.00 0.00 66.02 63.42 2qt6 s SER 378 CO 0.01 0.10 -0.21 -0.63 0.98 0.00 0.00 173.24 173.49 2qt6 s ILE 379 N -1.12 1.77 -0.13 -1.02 -1.09 0.80 -1.78 121.20 118.63 2qt6 s ILE 379 Ca 0.42 -0.89 -0.01 0.00 -2.23 0.00 0.00 60.65 57.94 2qt6 s ILE 379 Cb -0.27 -1.52 -0.02 0.00 -1.58 0.00 0.00 42.46 39.07 2qt6 s ILE 379 CO 0.33 0.50 -0.08 -0.70 -1.23 0.00 0.00 174.94 173.76 2qt6 s GLU 380 N 0.11 3.35 -0.05 2.79 2.12 -0.19 -1.50 118.70 125.33 2qt6 s GLU 380 Ca -0.09 -0.59 0.03 0.00 0.36 0.00 0.00 54.97 54.69 2qt6 s GLU 380 Cb -0.14 -2.73 0.00 0.00 0.26 0.00 0.00 34.13 31.52 2qt6 s GLU 380 CO 0.05 0.33 -0.14 0.42 -0.54 0.00 0.00 175.26 175.38 2qt6 s ILE 381 N 0.09 1.21 0.02 -3.70 1.01 -0.66 -0.23 121.20 118.94 2qt6 s ILE 381 Ca -0.03 -0.57 0.05 0.00 0.00 0.00 0.00 60.65 60.10 2qt6 s ILE 381 Cb -0.14 -1.07 -0.03 0.00 0.01 0.00 0.00 42.46 41.23 2qt6 s ILE 381 CO 0.04 0.36 -0.11 0.42 0.00 0.00 0.00 174.94 175.65 2qt6 s THR 382 N 0.30 3.35 -0.47 2.92 -4.23 -0.41 -1.10 115.64 115.99 2qt6 s THR 382 Ca -0.08 -0.94 0.09 0.00 -1.18 0.00 0.00 61.69 59.57 2qt6 s THR 382 Cb -0.13 -2.45 0.34 0.00 1.34 0.00 0.00 72.50 71.60 2qt6 s THR 382 CO 0.03 0.35 0.82 0.49 -0.54 0.00 0.00 174.62 175.77 2qt6 n PHE 383 N 1.49 2.00 -1.73 3.99 3.01 -0.13 -0.83 117.46 125.27 2qt6 n PHE 383 Ca -0.15 -3.90 -0.42 0.00 1.01 0.00 0.00 57.45 53.98 2qt6 n PHE 383 Cb 0.52 -0.45 -0.02 0.00 -0.01 0.00 0.00 39.48 39.52 2qt6 n PHE 383 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 2qt6 n PRO 384 N 0.10 2.73 -2.24 -1.08 -0.04 -1.26 -4.17 135.00 129.05 2qt6 n PRO 384 Ca 0.28 0.98 -0.37 0.00 -0.04 0.00 0.00 63.50 64.34 2qt6 n PRO 384 Cb 0.53 -2.80 -0.01 0.00 -0.04 0.00 0.00 33.50 31.18 2qt6 n PRO 384 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2qt6 s ALA 385 N 0.69 2.99 -0.08 0.55 0.00 -0.98 -4.70 121.76 120.23 2qt6 s ALA 385 Ca 0.71 0.96 -0.13 0.00 0.00 0.00 0.00 51.96 53.49 2qt6 s ALA 385 Cb -0.51 -3.39 0.03 0.00 0.00 0.00 0.00 23.12 19.25 2qt6 s ALA 385 CO 0.39 -0.67 0.32 -0.08 0.00 0.00 0.00 175.76 175.72 2qt6 s THR 386 N -1.52 0.02 0.23 0.00 -1.32 -1.26 -4.48 115.64 107.32 2qt6 s THR 386 Ca 0.63 -0.20 0.34 0.00 -1.21 0.00 0.00 61.69 61.24 2qt6 s THR 386 Cb -0.29 -0.53 0.34 0.00 -1.51 0.00 0.00 72.50 70.51 2qt6 s THR 386 CO 0.36 -0.11 2.04 0.71 -2.21 0.00 0.00 174.62 175.40 2qt6 h THR 387 N 4.30 0.00 0.00 5.08 1.35 -1.95 -2.41 112.91 119.27 2qt6 h THR 387 Ca -0.28 -0.04 0.00 0.00 -0.55 0.00 0.00 66.41 65.54 2qt6 h THR 387 Cb 1.18 0.82 0.00 0.00 -1.73 0.00 0.00 68.15 68.42 2qt6 h THR 387 CO 0.34 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.61 2qt6 n ALA 388 N -1.94 1.35 -3.76 6.62 0.00 -1.26 -4.14 120.51 117.37 2qt6 n ALA 388 Ca -0.02 0.14 -0.30 0.00 0.00 0.00 0.00 53.44 53.27 2qt6 n ALA 388 Cb 0.08 -1.35 -0.14 0.00 0.00 0.00 0.00 19.45 18.04 2qt6 n ALA 388 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qt6 s ALA 389 N -3.44 2.15 0.78 0.00 0.00 -0.91 -2.06 121.76 118.28 2qt6 s ALA 389 Ca 0.01 -2.40 -0.12 0.00 0.00 0.00 0.00 51.96 49.44 2qt6 s ALA 389 Cb 0.08 -1.85 0.06 0.00 0.00 0.00 0.00 23.12 21.41 2qt6 s ALA 389 CO 0.29 -1.93 1.14 -2.14 0.00 0.00 0.00 175.76 173.13 2qt6 s PRO 390 N 0.68 2.02 0.00 0.00 0.02 -1.26 -4.09 135.00 132.37 2qt6 s PRO 390 Ca 0.15 1.45 0.00 0.00 0.02 0.00 0.00 61.00 62.62 2qt6 s PRO 390 Cb -0.22 -1.85 0.00 0.00 0.02 0.00 0.00 34.50 32.45 2qt6 s PRO 390 CO -0.07 -1.87 0.00 0.41 -0.33 0.00 0.00 177.00 175.15 2qt6 n GLY 391 N -0.32 1.13 3.75 0.52 0.00 -1.26 -5.07 105.19 103.94 2qt6 n GLY 391 Ca 0.11 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.78 2qt6 n GLY 391 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qt6 s ALA 392 N -2.00 2.42 -0.06 4.61 0.00 -1.26 -4.17 121.76 121.30 2qt6 s ALA 392 Ca 0.00 0.91 -0.30 0.00 0.00 0.00 0.00 51.96 52.57 2qt6 s ALA 392 Cb 0.00 -3.44 -0.02 0.00 0.00 0.00 0.00 23.12 19.66 2qt6 s ALA 392 CO 0.00 -1.37 1.05 -1.25 0.00 0.00 0.00 175.76 174.20 2qt6 s PRO 393 N -3.59 4.43 -0.23 0.00 0.04 -1.26 -5.04 135.00 129.35 2qt6 s PRO 393 Ca 0.75 1.48 -0.23 0.00 0.04 0.00 0.00 61.00 63.04 2qt6 s PRO 393 Cb -0.29 -3.52 -0.01 0.00 0.04 0.00 0.00 34.50 30.73 2qt6 s PRO 393 CO 0.37 -0.29 0.77 -1.01 0.04 0.00 0.00 177.00 176.89 2qt6 s HIS 394 N 1.80 3.32 -0.43 0.56 3.76 -1.26 -4.83 115.29 118.21 2qt6 s HIS 394 Ca 0.51 1.07 -0.22 0.00 -0.15 0.00 0.00 55.06 56.27 2qt6 s HIS 394 Cb -0.21 -2.98 0.02 0.00 1.11 0.00 0.00 32.58 30.52 2qt6 s HIS 394 CO 0.21 -0.35 0.70 -1.25 -0.85 0.00 0.00 174.74 173.20 2qt6 s PRO 395 N 2.64 3.38 0.16 8.40 0.04 -1.26 -0.80 135.00 147.56 2qt6 s PRO 395 Ca 0.33 -0.20 -0.15 0.00 0.04 0.00 0.00 61.00 61.02 2qt6 s PRO 395 Cb -0.15 -3.93 -0.07 0.00 0.04 0.00 0.00 34.50 30.39 2qt6 s PRO 395 CO 0.08 -1.02 0.58 -0.06 0.04 0.00 0.00 177.00 176.62 2qt6 s PHE 396 N 3.01 3.60 -0.04 0.56 0.40 -0.10 -0.21 117.98 125.20 2qt6 s PHE 396 Ca 0.26 1.11 0.03 0.00 -0.60 0.00 0.00 56.93 57.73 2qt6 s PHE 396 Cb -0.13 -2.41 0.00 0.00 0.51 0.00 0.00 43.02 40.99 2qt6 s PHE 396 CO 0.20 0.40 -0.13 -1.58 0.70 0.00 0.00 175.22 174.81 2qt6 s HIS 397 N -1.50 1.37 -0.19 0.36 5.65 0.45 -0.95 115.29 120.50 2qt6 s HIS 397 Ca 0.39 -0.40 -0.03 0.00 0.25 0.00 0.00 55.06 55.27 2qt6 s HIS 397 Cb -0.15 -0.96 -0.01 0.00 -1.18 0.00 0.00 32.58 30.28 2qt6 s HIS 397 CO 0.19 -0.16 -0.05 -1.17 -0.65 0.00 0.00 174.74 172.90 2qt6 s LEU 398 N 0.21 2.95 0.66 8.88 2.96 -1.14 -1.55 118.68 131.66 2qt6 s LEU 398 Ca -0.05 -0.32 -0.12 0.00 -0.22 0.00 0.00 54.13 53.42 2qt6 s LEU 398 Cb -0.11 -1.73 -0.01 0.00 0.50 0.00 0.00 46.19 44.84 2qt6 s LEU 398 CO 0.02 0.05 1.05 -1.00 -1.32 0.00 0.00 176.35 175.15 2qt6 s HIS 399 N 1.04 3.18 0.00 5.38 3.76 -0.27 -4.10 115.29 124.28 2qt6 s HIS 399 Ca 0.01 1.42 0.00 0.00 -0.15 0.00 0.00 55.06 56.33 2qt6 s HIS 399 Cb -0.15 -2.87 0.00 0.00 1.11 0.00 0.00 32.58 30.67 2qt6 s HIS 399 CO 0.00 -1.10 0.00 0.41 -0.85 0.00 0.00 174.74 173.20 2qt6 n GLY 400 N -1.92 0.64 3.49 -2.22 0.00 -1.26 -4.74 105.19 99.18 2qt6 n GLY 400 Ca 0.07 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.93 2qt6 n GLY 400 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2qt6 s HIS 401 N -2.74 -0.62 0.29 1.61 4.02 -1.26 -4.76 115.29 111.83 2qt6 s HIS 401 Ca 0.00 0.90 0.02 0.00 1.02 0.00 0.00 55.06 57.00 2qt6 s HIS 401 Cb 0.00 0.44 -0.03 0.00 -1.02 0.00 0.00 32.58 31.97 2qt6 s HIS 401 CO 0.00 -0.67 0.46 0.14 1.02 0.00 0.00 174.74 175.70 2qt6 s VAL 402 N -1.85 5.17 0.05 -0.90 -7.23 -1.26 -4.74 120.40 109.64 2qt6 s VAL 402 Ca -0.08 -0.60 0.01 0.00 -1.81 0.00 0.00 61.98 59.50 2qt6 s VAL 402 Cb -0.00 -3.84 -0.03 0.00 0.56 0.00 0.00 36.38 33.07 2qt6 s VAL 402 CO 0.04 -0.42 -0.05 0.72 -0.31 0.00 0.00 175.10 175.08 2qt6 s PHE 403 N -2.13 0.60 -0.08 2.82 -0.12 -0.01 -4.84 117.98 114.23 2qt6 s PHE 403 Ca 0.38 -0.72 -0.26 0.00 -0.05 0.00 0.00 56.93 56.28 2qt6 s PHE 403 Cb -0.10 -0.38 -0.03 0.00 -0.63 0.00 0.00 43.02 41.89 2qt6 s PHE 403 CO 0.33 -0.18 0.84 0.00 -0.05 0.00 0.00 175.22 176.16 2qt6 s ALA 404 N -2.44 3.34 -0.90 1.99 0.00 0.20 -1.07 121.76 122.88 2qt6 s ALA 404 Ca -0.03 0.25 -0.19 0.00 0.00 0.00 0.00 51.96 51.99 2qt6 s ALA 404 Cb -0.03 -3.18 0.13 0.00 0.00 0.00 0.00 23.12 20.03 2qt6 s ALA 404 CO -0.03 -0.33 1.10 0.08 0.00 0.00 0.00 175.76 176.57 2qt6 s VAL 405 N 1.34 4.71 0.19 0.00 1.01 0.07 -1.53 120.40 126.19 2qt6 s VAL 405 Ca 0.43 -1.48 -0.09 0.00 0.00 0.00 0.00 61.98 60.84 2qt6 s VAL 405 Cb -0.18 -4.76 0.09 0.00 0.00 0.00 0.00 36.38 31.52 2qt6 s VAL 405 CO 0.19 -1.49 1.67 0.58 0.00 0.00 0.00 175.10 176.05 2qt6 h VAL 406 N 5.84 1.26 -3.29 2.92 2.07 -1.28 -3.41 116.25 120.36 2qt6 h VAL 406 Ca 0.11 -1.09 -0.48 0.00 0.82 0.00 0.00 66.70 66.05 2qt6 h VAL 406 Cb 1.03 0.70 -0.36 0.00 -1.52 0.00 0.00 31.29 31.14 2qt6 h VAL 406 CO 1.11 0.41 -0.79 -0.60 0.02 0.00 0.00 177.57 177.71 2qt6 s ARG 407 N -5.12 1.22 0.38 1.57 3.52 -0.98 -0.66 118.95 118.88 2qt6 s ARG 407 Ca -0.12 -0.17 0.02 0.00 -0.13 0.00 0.00 55.73 55.33 2qt6 s ARG 407 Cb 0.14 -1.28 -0.01 0.00 -1.56 0.00 0.00 34.95 32.24 2qt6 s ARG 407 CO 0.85 -0.19 0.57 -1.12 -0.81 0.00 0.00 175.30 174.60 2qt6 s SER 408 N 1.45 6.01 0.42 -2.12 0.01 -1.26 -2.03 113.70 116.18 2qt6 s SER 408 Ca -0.01 0.19 -0.26 0.00 1.31 0.00 0.00 55.95 57.18 2qt6 s SER 408 Cb -0.13 -1.60 -0.09 0.00 0.21 0.00 0.00 66.02 64.41 2qt6 s SER 408 CO -0.04 -0.49 1.37 0.00 0.41 0.00 0.00 173.24 174.49 2qt6 s ALA 409 N -2.36 3.28 -0.15 1.44 0.00 -1.26 -2.77 121.76 119.93 2qt6 s ALA 409 Ca 0.44 1.37 0.00 0.00 0.00 0.00 0.00 51.96 53.77 2qt6 s ALA 409 Cb -0.10 -3.54 0.00 0.00 0.00 0.00 0.00 23.12 19.48 2qt6 s ALA 409 CO 0.35 -1.01 0.00 0.41 0.00 0.00 0.00 175.76 175.51 2qt6 n GLY 410 N 0.61 0.51 2.94 0.00 0.00 -1.26 -4.95 105.19 103.05 2qt6 n GLY 410 Ca 0.04 -0.38 -0.12 0.00 0.00 0.00 0.00 46.02 45.56 2qt6 n GLY 410 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2qt6 s SER 411 N -2.40 0.28 0.00 1.61 0.15 -1.12 -5.04 113.70 107.19 2qt6 s SER 411 Ca 0.00 -0.21 0.18 0.00 0.70 0.00 0.00 55.95 56.62 2qt6 s SER 411 Cb 0.00 0.02 0.08 0.00 -1.71 0.00 0.00 66.02 64.40 2qt6 s SER 411 CO 0.00 -0.09 1.01 0.35 1.20 0.00 0.00 173.24 175.72 2qt6 n THR 412 N 2.49 0.00 -2.99 6.45 -2.24 -1.26 -4.65 114.28 112.08 2qt6 n THR 412 Ca -0.16 -0.41 -0.29 0.00 -2.27 0.00 0.00 64.05 60.91 2qt6 n THR 412 Cb 0.58 1.31 -0.03 0.00 -2.10 0.00 0.00 70.33 70.09 2qt6 n THR 412 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2qt6 s SER 413 N -1.79 6.46 -0.20 3.42 1.04 -1.26 -5.09 113.70 116.29 2qt6 s SER 413 Ca 0.19 0.96 -0.02 0.00 0.48 0.00 0.00 55.95 57.56 2qt6 s SER 413 Cb 0.15 -2.25 -0.00 0.00 0.10 0.00 0.00 66.02 64.02 2qt6 s SER 413 CO 0.33 -0.35 -0.10 -0.31 0.98 0.00 0.00 173.24 173.79 2qt6 s TYR 414 N -2.32 2.88 -0.36 5.02 1.51 -1.26 -4.42 117.35 118.39 2qt6 s TYR 414 Ca 0.48 -1.12 -0.08 0.00 -1.01 0.00 0.00 57.07 55.35 2qt6 s TYR 414 Cb -0.10 -2.01 0.05 0.00 -0.11 0.00 0.00 41.96 39.78 2qt6 s TYR 414 CO 0.33 -0.59 0.16 1.21 -1.11 0.00 0.00 175.55 175.55 2qt6 s ASN 415 N 1.28 5.45 0.00 2.29 3.84 0.17 -4.93 114.94 123.03 2qt6 s ASN 415 Ca 0.03 -1.22 0.21 0.00 0.21 0.00 0.00 52.86 52.10 2qt6 s ASN 415 Cb -0.14 -1.92 0.51 0.00 -0.55 0.00 0.00 41.25 39.15 2qt6 s ASN 415 CO -0.05 -0.39 1.43 -1.22 -2.79 0.00 0.00 177.10 174.09 2qt6 n TYR 416 N 4.86 0.71 -0.10 0.43 4.02 -1.26 -4.38 117.16 121.45 2qt6 n TYR 416 Ca -0.11 -0.39 -0.18 0.00 -0.01 0.00 0.00 57.90 57.20 2qt6 n TYR 416 Cb 0.44 -0.00 -0.06 0.00 -0.02 0.00 0.00 39.34 39.70 2qt6 n TYR 416 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 2qt6 n ASP 417 N 1.42 1.72 -2.75 7.72 8.00 -1.26 -4.31 116.55 127.09 2qt6 n ASP 417 Ca 0.20 0.29 -0.03 0.00 0.71 0.00 0.00 54.79 55.97 2qt6 n ASP 417 Cb 0.58 -0.69 0.07 0.00 -0.02 0.00 0.00 41.12 41.07 2qt6 n ASP 417 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 2qt6 n ASP 418 N -4.17 0.56 -4.77 -2.24 5.75 -1.26 -4.71 116.55 105.72 2qt6 n ASP 418 Ca -0.31 -2.27 -0.34 0.00 -0.01 0.00 0.00 54.79 51.86 2qt6 n ASP 418 Cb 0.66 -0.10 0.04 0.00 -1.03 0.00 0.00 41.12 40.68 2qt6 n ASP 418 CO 0.00 0.00 0.00 -2.16 -0.11 0.00 0.00 177.20 174.93 2qt6 s PRO 419 N -2.43 2.93 0.40 0.11 0.04 -1.26 -4.35 135.00 130.43 2qt6 s PRO 419 Ca 0.23 1.53 -0.25 0.00 0.04 0.00 0.00 61.00 62.54 2qt6 s PRO 419 Cb 0.39 -1.95 -0.11 0.00 0.04 0.00 0.00 34.50 32.86 2qt6 s PRO 419 CO -0.04 -1.18 1.08 1.55 0.04 0.00 0.00 177.00 178.45 2qt6 n VAL 420 N -2.03 2.38 -4.21 -0.36 3.14 -1.10 -4.45 118.33 111.70 2qt6 n VAL 420 Ca 0.11 -0.50 -0.34 0.00 -2.96 0.00 0.00 64.34 60.65 2qt6 n VAL 420 Cb 0.51 -1.25 -0.11 0.00 -1.06 0.00 0.00 33.84 31.94 2qt6 n VAL 420 CO 0.00 0.00 0.00 0.26 -6.46 0.00 0.00 176.83 170.63 2qt6 s TRP 421 N -1.22 3.15 0.00 1.45 0.52 -1.26 -0.75 118.94 120.83 2qt6 s TRP 421 Ca 0.62 -0.07 0.00 0.00 0.02 0.00 0.00 56.10 56.66 2qt6 s TRP 421 Cb -0.57 -2.00 0.00 0.00 -1.15 0.00 0.00 33.47 29.76 2qt6 s TRP 421 CO 0.58 0.11 0.00 2.89 0.02 0.00 0.00 176.95 180.55 2qt6 n ARG 422 N 3.38 0.00 0.00 4.98 1.85 -0.24 -4.71 116.66 121.93 2qt6 n ARG 422 Ca -0.17 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.68 2qt6 n ARG 422 Cb 0.52 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.93 2qt6 n ARG 422 CO 0.00 0.00 0.00 -0.40 -0.01 0.00 0.00 177.63 177.22 2qt6 n ASP 423 N -1.32 0.08 -4.00 2.89 5.68 -1.26 -0.82 116.55 117.79 2qt6 n ASP 423 Ca 0.00 -0.27 -0.21 0.00 -0.50 0.00 0.00 54.79 53.80 2qt6 n ASP 423 Cb 0.00 0.56 -0.16 0.00 -1.14 0.00 0.00 41.12 40.38 2qt6 n ASP 423 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 2qt6 s VAL 424 N -0.58 0.85 -0.03 2.12 1.01 -1.26 -2.87 120.40 119.65 2qt6 s VAL 424 Ca 0.00 -0.37 0.01 0.00 0.00 0.00 0.00 61.98 61.61 2qt6 s VAL 424 Cb 0.00 -0.77 0.02 0.00 0.00 0.00 0.00 36.38 35.63 2qt6 s VAL 424 CO 0.00 0.27 -0.00 0.54 0.00 0.00 0.00 175.10 175.91 2qt6 s VAL 425 N 0.33 0.19 0.20 2.92 0.11 -0.12 -4.93 120.40 119.11 2qt6 s VAL 425 Ca -0.06 0.05 -0.31 0.00 -2.93 0.00 0.00 61.98 58.74 2qt6 s VAL 425 Cb -0.11 -0.26 -0.10 0.00 -1.53 0.00 0.00 36.38 34.39 2qt6 s VAL 425 CO 0.01 0.13 1.45 -0.55 -3.33 0.00 0.00 175.10 172.82 2qt6 s SER 426 N 0.84 6.68 0.00 3.54 0.15 -1.26 -0.92 113.70 122.72 2qt6 s SER 426 Ca -0.08 2.58 0.18 0.00 0.70 0.00 0.00 55.95 59.33 2qt6 s SER 426 Cb -0.12 -2.61 0.50 0.00 -1.71 0.00 0.00 66.02 62.09 2qt6 s SER 426 CO -0.01 -0.71 1.41 0.35 1.20 0.00 0.00 173.24 175.47 2qt6 n THR 427 N 3.00 0.54 -4.33 6.45 -2.24 0.02 -4.24 114.28 113.48 2qt6 n THR 427 Ca 0.09 -0.61 0.00 0.00 -2.27 0.00 0.00 64.05 61.27 2qt6 n THR 427 Cb 0.40 0.43 0.00 0.00 -2.10 0.00 0.00 70.33 69.07 2qt6 n THR 427 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2qt6 n GLY 428 N 1.29 -0.18 3.09 3.38 0.00 -1.26 -4.30 105.19 107.20 2qt6 n GLY 428 Ca 0.17 -1.01 -0.14 0.00 0.00 0.00 0.00 46.02 45.04 2qt6 n GLY 428 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2qt6 s THR 429 N 0.00 0.65 0.33 2.61 -4.23 -1.26 -4.01 115.64 109.73 2qt6 s THR 429 Ca 0.00 -1.21 0.20 0.00 -1.18 0.00 0.00 61.69 59.49 2qt6 s THR 429 Cb 0.00 -0.80 0.18 0.00 1.34 0.00 0.00 72.50 73.22 2qt6 s THR 429 CO 0.00 -0.42 1.89 1.55 -0.54 0.00 0.00 174.62 177.11 2qt6 h PRO 430 N 4.28 0.00 -0.77 3.99 0.13 -1.86 -2.65 132.00 135.12 2qt6 h PRO 430 Ca -0.36 0.00 0.09 0.00 -0.87 0.00 0.00 66.00 64.85 2qt6 h PRO 430 Cb 1.20 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.27 2qt6 h PRO 430 CO 0.43 0.27 0.51 1.96 -0.23 0.00 0.00 178.00 180.94 2qt6 h GLN 431 N 0.00 0.70 -0.01 0.86 7.50 -1.96 0.33 115.11 122.54 2qt6 h GLN 431 Ca -0.00 -0.04 0.00 0.00 0.50 0.00 0.00 58.65 59.11 2qt6 h GLN 431 Cb 0.60 -0.16 0.00 0.00 0.05 0.00 0.00 27.48 27.97 2qt6 h GLN 431 CO 0.04 0.46 -0.03 0.00 -1.50 0.00 0.00 178.83 177.80 2qt6 n ALA 432 N -2.45 2.65 -3.12 3.87 0.00 -1.02 -4.92 120.51 115.51 2qt6 n ALA 432 Ca 0.13 -0.38 -0.23 0.00 0.00 0.00 0.00 53.44 52.95 2qt6 n ALA 432 Cb 0.31 -1.24 0.04 0.00 0.00 0.00 0.00 19.45 18.56 2qt6 n ALA 432 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qt6 n GLY 433 N 1.16 -0.52 3.76 0.00 0.00 0.11 -4.92 105.19 104.78 2qt6 n GLY 433 Ca 0.19 0.15 -0.38 0.00 0.00 0.00 0.00 46.02 45.98 2qt6 n GLY 433 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2qt6 s ASP 434 N -2.82 5.67 -0.42 1.61 1.01 -1.07 -4.96 116.67 115.70 2qt6 s ASP 434 Ca 0.35 2.61 0.07 0.00 0.71 0.00 0.00 52.55 56.29 2qt6 s ASP 434 Cb -0.16 -2.63 0.23 0.00 1.01 0.00 0.00 42.92 41.38 2qt6 s ASP 434 CO 0.44 -1.28 0.55 -3.20 0.21 0.00 0.00 175.17 171.88 2qt6 n ASN 435 N -0.72 -0.66 -4.75 0.27 2.85 -1.26 -2.31 115.26 108.68 2qt6 n ASN 435 Ca 0.09 -2.72 -0.41 0.00 -0.11 0.00 0.00 54.58 51.42 2qt6 n ASN 435 Cb 0.46 -0.11 -0.02 0.00 1.24 0.00 0.00 39.78 41.35 2qt6 n ASN 435 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 2qt6 s VAL 436 N -0.50 2.47 -0.06 3.44 1.01 -1.26 -4.77 120.40 120.74 2qt6 s VAL 436 Ca 0.34 0.39 0.00 0.00 0.00 0.00 0.00 61.98 62.71 2qt6 s VAL 436 Cb 0.14 -3.25 0.02 0.00 0.00 0.00 0.00 36.38 33.29 2qt6 s VAL 436 CO -0.15 0.06 -0.03 -0.89 0.00 0.00 0.00 175.10 174.09 2qt6 s THR 437 N 0.05 0.51 0.23 3.92 2.01 -0.86 -0.95 115.64 120.55 2qt6 s THR 437 Ca 0.61 -0.05 0.11 0.00 0.31 0.00 0.00 61.69 62.67 2qt6 s THR 437 Cb -0.44 -0.57 -0.05 0.00 0.01 0.00 0.00 72.50 71.45 2qt6 s THR 437 CO 0.44 0.24 -0.21 0.27 -0.69 0.00 0.00 174.62 174.68 2qt6 s ILE 438 N 1.29 2.30 -0.00 1.82 -4.36 -0.26 -0.96 121.20 121.03 2qt6 s ILE 438 Ca -0.05 -2.21 0.02 0.00 -0.26 0.00 0.00 60.65 58.15 2qt6 s ILE 438 Cb -0.14 -2.17 -0.01 0.00 1.25 0.00 0.00 42.46 41.40 2qt6 s ILE 438 CO -0.02 -0.31 -0.07 -0.13 0.24 0.00 0.00 174.94 174.65 2qt6 s ARG 439 N -3.16 0.57 0.24 0.37 1.81 -0.58 -1.66 118.95 116.53 2qt6 s ARG 439 Ca 0.25 -0.28 -0.16 0.00 -1.72 0.00 0.00 55.73 53.82 2qt6 s ARG 439 Cb -0.06 -0.54 0.01 0.00 -0.45 0.00 0.00 34.95 33.91 2qt6 s ARG 439 CO 0.12 0.15 0.55 -0.59 -0.68 0.00 0.00 175.30 174.84 2qt6 s PHE 440 N -0.22 0.11 -0.12 -0.53 -0.71 -0.56 -0.63 117.98 115.31 2qt6 s PHE 440 Ca 0.02 -0.49 -0.03 0.00 -1.04 0.00 0.00 56.93 55.39 2qt6 s PHE 440 Cb -0.03 0.37 -0.03 0.00 -1.21 0.00 0.00 43.02 42.11 2qt6 s PHE 440 CO -0.00 -1.03 -0.01 -1.14 -1.34 0.00 0.00 175.22 171.69 2qt6 s GLN 441 N -3.96 3.33 0.26 1.99 2.00 -1.26 -0.14 119.66 121.88 2qt6 s GLN 441 Ca 0.16 -0.45 -0.29 0.00 -2.00 0.00 0.00 55.36 52.77 2qt6 s GLN 441 Cb -0.02 -2.87 -0.10 0.00 0.80 0.00 0.00 33.01 30.83 2qt6 s GLN 441 CO 0.05 0.48 1.29 0.95 -0.50 0.00 0.00 175.29 177.56 2qt6 s THR 442 N -0.27 3.04 0.00 -0.34 -4.23 -0.10 -4.84 115.64 108.89 2qt6 s THR 442 Ca 0.06 0.94 0.00 0.00 -1.18 0.00 0.00 61.69 61.51 2qt6 s THR 442 Cb -0.12 -3.60 0.00 0.00 1.34 0.00 0.00 72.50 70.11 2qt6 s THR 442 CO 0.02 0.19 0.35 -0.90 -0.54 0.00 0.00 174.62 173.74 2qt6 n ASP 443 N 1.73 0.00 -3.13 3.99 5.75 -1.26 -3.78 116.55 119.85 2qt6 n ASP 443 Ca 0.03 -0.94 -0.11 0.00 -0.01 0.00 0.00 54.79 53.76 2qt6 n ASP 443 Cb 0.43 0.00 -0.04 0.00 -1.03 0.00 0.00 41.12 40.48 2qt6 n ASP 443 CO 0.00 0.00 0.00 0.21 -0.11 0.00 0.00 177.20 177.30 2qt6 s ASN 444 N 0.00 -0.21 0.19 -1.12 2.47 -1.26 -5.06 114.94 109.95 2qt6 s ASN 444 Ca 0.00 -1.76 -0.32 0.00 0.42 0.00 0.00 52.86 51.21 2qt6 s ASN 444 Cb 0.00 1.11 -0.11 0.00 -1.45 0.00 0.00 41.25 40.80 2qt6 s ASN 444 CO 0.00 -0.15 1.63 -2.84 -3.72 0.00 0.00 177.10 172.01 2qt6 s PRO 445 N 1.06 4.18 0.00 0.43 0.02 -1.26 -4.75 135.00 134.67 2qt6 s PRO 445 Ca 0.24 2.47 0.00 0.00 0.02 0.00 0.00 61.00 63.73 2qt6 s PRO 445 Cb -0.04 -3.11 0.00 0.00 0.02 0.00 0.00 34.50 31.36 2qt6 s PRO 445 CO -0.07 -0.66 0.00 0.41 -0.33 0.00 0.00 177.00 176.35 2qt6 n GLY 446 N 3.72 3.05 3.70 0.52 0.00 -0.22 -4.77 105.19 111.19 2qt6 n GLY 446 Ca 0.14 -1.18 -0.41 0.00 0.00 0.00 0.00 46.02 44.57 2qt6 n GLY 446 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2qt6 s PRO 447 N -2.17 4.41 -0.06 1.61 0.04 -1.26 -0.91 135.00 136.66 2qt6 s PRO 447 Ca 0.00 1.09 0.03 0.00 0.04 0.00 0.00 61.00 62.16 2qt6 s PRO 447 Cb 0.00 -3.50 0.01 0.00 0.04 0.00 0.00 34.50 31.05 2qt6 s PRO 447 CO 0.00 -0.13 -0.15 -1.58 0.04 0.00 0.00 177.00 175.18 2qt6 s TRP 448 N 1.41 1.66 0.45 0.56 0.52 0.41 -4.89 118.94 119.06 2qt6 s TRP 448 Ca 0.42 -0.60 -0.23 0.00 0.02 0.00 0.00 56.10 55.72 2qt6 s TRP 448 Cb -0.18 -1.17 -0.08 0.00 -1.15 0.00 0.00 33.47 30.89 2qt6 s TRP 448 CO 0.18 -0.27 1.09 0.12 0.02 0.00 0.00 176.95 178.09 2qt6 s PHE 449 N 0.47 3.04 -0.12 -1.98 5.36 -1.26 -0.55 117.98 122.95 2qt6 s PHE 449 Ca -0.13 1.59 -0.02 0.00 -0.96 0.00 0.00 56.93 57.41 2qt6 s PHE 449 Cb -0.15 -3.21 0.04 0.00 -0.34 0.00 0.00 43.02 39.36 2qt6 s PHE 449 CO 0.04 -1.02 0.02 -1.17 -1.46 0.00 0.00 175.22 171.63 2qt6 s LEU 450 N -3.03 0.72 0.21 6.12 2.96 -0.30 -1.11 118.68 124.25 2qt6 s LEU 450 Ca 0.63 -0.34 -0.20 0.00 -0.22 0.00 0.00 54.13 53.99 2qt6 s LEU 450 Cb -0.23 -0.45 0.04 0.00 0.50 0.00 0.00 46.19 46.04 2qt6 s LEU 450 CO 0.28 -0.24 0.60 -1.38 -1.32 0.00 0.00 176.35 174.29 2qt6 s HIS 451 N 1.96 -0.26 0.20 5.38 -3.43 -0.60 -1.15 115.29 117.40 2qt6 s HIS 451 Ca 0.03 -0.08 -0.30 0.00 -0.80 0.00 0.00 55.06 53.91 2qt6 s HIS 451 Cb -0.14 0.53 -0.08 0.00 -1.43 0.00 0.00 32.58 31.45 2qt6 s HIS 451 CO -0.06 -0.99 1.26 0.00 -2.00 0.00 0.00 174.74 172.94 2qt6 n HIS 453 N 2.47 0.52 -2.38 0.00 -0.00 0.70 -4.14 115.22 112.39 2qt6 n HIS 453 Ca 0.05 -0.26 -0.43 0.00 0.46 0.00 0.00 57.72 57.54 2qt6 n HIS 453 Cb 0.44 0.00 -0.02 0.00 -0.12 0.00 0.00 29.99 30.28 2qt6 n HIS 453 CO 0.00 0.00 0.00 0.42 0.46 0.00 0.00 176.34 177.22 2qt6 s ILE 454 N -1.48 3.97 0.35 3.57 1.01 -1.26 -4.69 121.20 122.67 2qt6 s ILE 454 Ca 0.33 1.01 0.05 0.00 0.00 0.00 0.00 60.65 62.04 2qt6 s ILE 454 Cb 0.17 -4.22 0.17 0.00 0.01 0.00 0.00 42.46 38.59 2qt6 s ILE 454 CO 0.24 -0.72 1.89 -0.78 0.00 0.00 0.00 174.94 175.57 2qt6 h ASP 455 N 10.33 0.46 0.15 3.58 3.58 -1.20 0.13 116.42 133.46 2qt6 h ASP 455 Ca -0.27 -0.08 -0.02 0.00 0.42 0.00 0.00 57.03 57.08 2qt6 h ASP 455 Cb 1.10 -0.12 -0.00 0.00 1.72 0.00 0.00 39.33 42.03 2qt6 h ASP 455 CO 1.08 0.53 -0.11 -0.26 -2.88 0.00 0.00 179.24 177.60 2qt6 h PHE 456 N 0.48 0.00 0.22 0.28 0.04 -1.90 -1.04 116.94 115.02 2qt6 h PHE 456 Ca 0.10 0.00 -0.32 0.00 2.80 0.00 0.00 57.97 60.55 2qt6 h PHE 456 Cb 0.31 0.00 0.03 0.00 2.20 0.00 0.00 35.95 38.48 2qt6 h PHE 456 CO 0.01 0.11 -1.48 0.45 -0.60 0.00 0.00 178.31 176.79 2qt6 h HIS 457 N 0.00 0.83 -0.51 -0.55 3.86 -1.12 -2.94 115.15 114.72 2qt6 h HIS 457 Ca -0.00 -0.61 0.08 0.00 -1.16 0.00 0.00 60.37 58.69 2qt6 h HIS 457 Cb 0.21 -0.03 -0.07 0.00 1.06 0.00 0.00 27.41 28.58 2qt6 h HIS 457 CO 0.00 1.57 0.12 1.25 0.86 0.00 0.00 177.93 181.73 2qt6 h LEU 458 N 0.04 0.05 -1.73 2.43 5.85 -1.08 -1.60 115.31 119.28 2qt6 h LEU 458 Ca -0.27 0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.52 2qt6 h LEU 458 Cb 2.07 0.11 -0.00 0.00 0.37 0.00 0.00 40.66 43.20 2qt6 h LEU 458 CO 0.22 0.05 -0.04 -0.78 -0.34 0.00 0.00 178.44 177.55 2qt6 h ASP 459 N 0.27 0.00 -0.43 1.25 -0.00 -1.26 -0.18 116.42 116.07 2qt6 h ASP 459 Ca 0.25 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.28 2qt6 h ASP 459 Cb 0.33 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.66 2qt6 h ASP 459 CO -0.31 0.04 0.00 0.00 -0.00 0.00 0.00 179.24 178.97 2qt6 n ALA 460 N -2.13 2.55 -0.17 -0.78 0.00 -0.68 -4.93 120.51 114.37 2qt6 n ALA 460 Ca -0.00 -0.82 0.00 0.00 0.00 0.00 0.00 53.44 52.62 2qt6 n ALA 460 Cb 0.27 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 18.74 2qt6 n ALA 460 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qt6 n GLY 461 N 1.08 0.90 3.09 0.00 0.00 -0.08 -0.63 105.19 109.56 2qt6 n GLY 461 Ca 0.15 -0.14 -0.43 0.00 0.00 0.00 0.00 46.02 45.60 2qt6 n GLY 461 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2qt6 n PHE 462 N -2.17 3.74 -3.50 1.61 7.35 -0.72 -0.97 117.46 122.80 2qt6 n PHE 462 Ca 0.00 -3.00 -0.15 0.00 -0.76 0.00 0.00 57.45 53.54 2qt6 n PHE 462 Cb 0.00 -2.09 -0.05 0.00 0.35 0.00 0.00 39.48 37.70 2qt6 n PHE 462 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2qt6 s ALA 463 N 1.07 -1.75 0.21 3.13 0.00 -1.26 -1.97 121.76 121.19 2qt6 s ALA 463 Ca 0.42 1.11 -0.01 0.00 0.00 0.00 0.00 51.96 53.48 2qt6 s ALA 463 Cb 0.05 0.18 -0.04 0.00 0.00 0.00 0.00 23.12 23.31 2qt6 s ALA 463 CO 0.00 -0.49 0.13 0.14 0.00 0.00 0.00 175.76 175.54 2qt6 s VAL 464 N -1.99 0.10 -0.08 0.00 -7.23 -0.30 -4.25 120.40 106.66 2qt6 s VAL 464 Ca -0.06 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.16 2qt6 s VAL 464 Cb -0.00 -2.52 -0.00 0.00 0.56 0.00 0.00 36.38 34.41 2qt6 s VAL 464 CO 0.02 0.00 -0.22 -0.69 -0.31 0.00 0.00 175.10 173.90 2qt6 s VAL 465 N -4.08 1.83 -0.39 1.32 1.01 0.17 -1.15 120.40 119.11 2qt6 s VAL 465 Ca 0.39 -0.91 -0.18 0.00 0.00 0.00 0.00 61.98 61.28 2qt6 s VAL 465 Cb 0.07 -1.58 0.01 0.00 0.00 0.00 0.00 36.38 34.88 2qt6 s VAL 465 CO 0.12 0.51 0.52 -0.04 0.00 0.00 0.00 175.10 176.21 2qt6 s MET 466 N 0.22 3.38 -0.71 2.72 -1.94 0.29 -0.53 119.30 122.74 2qt6 s MET 466 Ca -0.12 -0.40 -0.19 0.00 -1.71 0.00 0.00 55.69 53.26 2qt6 s MET 466 Cb -0.16 -3.89 0.11 0.00 2.01 0.00 0.00 34.83 32.91 2qt6 s MET 466 CO 0.06 -0.79 0.87 0.00 -0.01 0.00 0.00 175.02 175.15 2qt6 s ALA 467 N 2.41 3.39 -0.23 3.03 0.00 0.11 -0.45 121.76 130.02 2qt6 s ALA 467 Ca 0.17 -2.36 -0.17 0.00 0.00 0.00 0.00 51.96 49.61 2qt6 s ALA 467 Cb -0.16 -3.73 -0.03 0.00 0.00 0.00 0.00 23.12 19.20 2qt6 s ALA 467 CO 0.15 -2.60 0.46 -2.00 0.00 0.00 0.00 175.76 171.77 2qt6 s GLU 468 N 2.80 4.12 -1.17 0.00 2.12 -0.09 -1.12 118.70 125.37 2qt6 s GLU 468 Ca 0.20 0.27 -0.13 0.00 0.36 0.00 0.00 54.97 55.67 2qt6 s GLU 468 Cb -0.17 -3.60 -0.02 0.00 0.26 0.00 0.00 34.13 30.61 2qt6 s GLU 468 CO 0.02 -0.20 0.78 -3.47 -0.54 0.00 0.00 175.26 171.85 2qt6 n ASP 469 N 5.00 -4.48 -0.30 -1.70 2.03 -0.02 -1.05 116.55 116.02 2qt6 n ASP 469 Ca -0.06 -0.92 0.13 0.00 0.52 0.00 0.00 54.79 54.46 2qt6 n ASP 469 Cb 0.50 -3.84 0.30 0.00 -0.72 0.00 0.00 41.12 37.37 2qt6 n ASP 469 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 2qt6 h ILE 470 N -1.73 0.39 -0.00 5.18 2.04 -1.79 -0.70 117.51 120.89 2qt6 h ILE 470 Ca -0.64 -0.10 0.00 0.00 1.00 0.00 0.00 64.86 65.12 2qt6 h ILE 470 Cb 1.35 0.07 -0.00 0.00 -0.74 0.00 0.00 36.82 37.50 2qt6 h ILE 470 CO 0.50 0.05 0.01 -0.65 0.00 0.00 0.00 178.15 178.06 2qt6 h PRO 471 N 0.29 0.00 -0.21 2.37 0.11 -1.91 -1.96 132.00 130.69 2qt6 h PRO 471 Ca 0.56 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.67 2qt6 h PRO 471 Cb 1.10 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.21 2qt6 h PRO 471 CO -0.59 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 177.29 2qt6 n ASN 472 N -3.08 2.68 -0.10 -2.05 3.02 -0.28 -4.67 115.26 110.78 2qt6 n ASN 472 Ca -0.03 -1.79 -0.09 0.00 -0.03 0.00 0.00 54.58 52.64 2qt6 n ASN 472 Cb 0.08 -0.14 -0.01 0.00 -0.61 0.00 0.00 39.78 39.10 2qt6 n ASN 472 CO 0.00 0.00 0.00 0.74 -2.62 0.00 0.00 177.26 175.38 2qt6 h THR 473 N 2.85 1.11 -0.20 3.41 2.02 -1.21 -0.11 112.91 120.78 2qt6 h THR 473 Ca 0.00 -0.26 -0.05 0.00 0.77 0.00 0.00 66.41 66.87 2qt6 h THR 473 Cb 0.71 0.70 -0.01 0.00 -1.74 0.00 0.00 68.15 67.81 2qt6 h THR 473 CO 0.00 0.11 -0.06 0.58 0.37 0.00 0.00 175.52 176.52 2qt6 h VAL 474 N 0.42 1.29 -0.07 3.16 2.07 -1.83 -2.38 116.25 118.90 2qt6 h VAL 474 Ca 0.12 -1.07 -0.08 0.00 0.82 0.00 0.00 66.70 66.49 2qt6 h VAL 474 Cb 0.01 1.58 -0.01 0.00 -1.52 0.00 0.00 31.29 31.35 2qt6 h VAL 474 CO -0.02 0.32 -0.31 0.78 0.02 0.00 0.00 177.57 178.37 2qt6 h ASN 475 N 0.11 0.13 1.67 0.57 2.35 -1.84 -2.99 115.58 115.60 2qt6 h ASN 475 Ca 0.05 -0.04 -0.06 0.00 -0.55 0.00 0.00 56.30 55.70 2qt6 h ASN 475 Cb 0.52 -0.04 -0.01 0.00 0.05 0.00 0.00 38.32 38.85 2qt6 h ASN 475 CO 0.02 0.44 -0.29 0.00 -1.65 0.00 0.00 177.43 175.96 2qt6 h ALA 476 N 1.57 0.82 -2.17 -0.83 0.00 -0.87 -3.39 119.26 114.39 2qt6 h ALA 476 Ca 0.02 -0.26 -0.56 0.00 0.00 0.00 0.00 54.91 54.11 2qt6 h ALA 476 Cb 0.61 -0.05 -0.41 0.00 0.00 0.00 0.00 17.79 17.94 2qt6 h ALA 476 CO 0.04 0.36 -0.84 0.09 0.00 0.00 0.00 179.25 178.91 2qt6 n ASN 477 N -3.18 2.97 -4.77 0.00 3.02 -0.91 -4.17 115.26 108.22 2qt6 n ASN 477 Ca 0.03 -3.38 -0.40 0.00 -0.03 0.00 0.00 54.58 50.80 2qt6 n ASN 477 Cb 0.64 -0.60 0.02 0.00 -0.61 0.00 0.00 39.78 39.23 2qt6 n ASN 477 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 2qt6 s PRO 478 N -2.86 3.66 0.00 3.52 0.04 -1.25 -4.90 135.00 133.21 2qt6 s PRO 478 Ca 0.44 2.42 0.04 0.00 0.04 0.00 0.00 61.00 63.94 2qt6 s PRO 478 Cb 0.28 -2.64 -0.03 0.00 0.04 0.00 0.00 34.50 32.15 2qt6 s PRO 478 CO -0.10 -0.84 -0.11 0.14 0.04 0.00 0.00 177.00 176.13 2qt6 s VAL 479 N -1.20 3.33 0.56 -0.36 -7.23 -1.26 -4.96 120.40 109.27 2qt6 s VAL 479 Ca 0.61 -0.87 -0.16 0.00 -1.81 0.00 0.00 61.98 59.76 2qt6 s VAL 479 Cb -0.44 -2.41 -0.05 0.00 0.56 0.00 0.00 36.38 34.04 2qt6 s VAL 479 CO 0.56 0.42 1.03 -2.16 -0.31 0.00 0.00 175.10 174.64 2qt6 s PRO 480 N -1.29 3.54 0.28 4.82 0.04 -1.26 -4.90 135.00 136.23 2qt6 s PRO 480 Ca 0.15 1.12 0.02 0.00 0.04 0.00 0.00 61.00 62.33 2qt6 s PRO 480 Cb -0.11 -2.07 0.62 0.00 0.04 0.00 0.00 34.50 32.98 2qt6 s PRO 480 CO 0.06 -0.62 1.77 0.37 0.04 0.00 0.00 177.00 178.62 2qt6 h GLN 481 N 0.63 0.70 -0.96 4.56 5.75 -1.99 -0.47 115.11 123.32 2qt6 h GLN 481 Ca -0.47 -0.04 0.13 0.00 -0.15 0.00 0.00 58.65 58.12 2qt6 h GLN 481 Cb 1.21 -0.16 -0.08 0.00 1.07 0.00 0.00 27.48 29.52 2qt6 h GLN 481 CO 0.59 0.46 0.61 0.00 -2.65 0.00 0.00 178.83 177.84 2qt6 h ALA 482 N 1.59 1.64 -0.34 3.38 0.00 -1.99 -0.85 119.26 122.69 2qt6 h ALA 482 Ca 0.51 0.02 -0.10 0.00 0.00 0.00 0.00 54.91 55.35 2qt6 h ALA 482 Cb 0.73 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 2qt6 h ALA 482 CO -0.36 0.11 -0.17 2.35 0.00 0.00 0.00 179.25 181.17 2qt6 h TRP 483 N 0.88 0.82 0.00 0.00 7.01 -1.46 -2.96 115.95 120.24 2qt6 h TRP 483 Ca 0.49 -0.21 -0.01 0.00 2.11 0.00 0.00 58.89 61.27 2qt6 h TRP 483 Cb 0.59 -0.19 -0.00 0.00 -2.10 0.00 0.00 29.16 27.46 2qt6 h TRP 483 CO -0.00 0.92 -0.04 0.77 -2.79 0.00 0.00 178.44 177.30 2qt6 h SER 484 N 0.49 0.00 1.23 2.65 0.02 -0.80 -1.36 113.55 115.77 2qt6 h SER 484 Ca 0.07 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 2qt6 h SER 484 Cb 0.71 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.25 2qt6 h SER 484 CO 0.05 0.04 -0.04 0.59 -1.14 0.00 0.00 176.83 176.33 2qt6 n ASN 485 N -4.03 0.48 -0.09 3.07 5.03 -0.42 -4.29 115.26 115.01 2qt6 n ASN 485 Ca -0.03 0.50 -0.13 0.00 0.87 0.00 0.00 54.58 55.80 2qt6 n ASN 485 Cb 0.13 -0.61 -0.05 0.00 -1.02 0.00 0.00 39.78 38.24 2qt6 n ASN 485 CO 0.00 0.00 0.00 -0.07 -1.83 0.00 0.00 177.26 175.36 2qt6 h LEU 486 N 0.00 0.60 -0.16 3.41 3.38 -1.16 -2.43 115.31 118.95 2qt6 h LEU 486 Ca 0.00 -0.44 -0.07 0.00 0.09 0.00 0.00 57.88 57.45 2qt6 h LEU 486 Cb 0.64 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.22 2qt6 h LEU 486 CO 0.00 0.92 -0.19 0.00 0.09 0.00 0.00 178.44 179.26 2qt6 h PRO 488 N 0.05 0.39 -0.22 0.00 0.11 -1.78 -0.09 132.00 130.45 2qt6 h PRO 488 Ca 0.02 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 66.08 2qt6 h PRO 488 Cb 0.73 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 31.75 2qt6 h PRO 488 CO 0.05 0.26 0.01 1.15 -0.21 0.00 0.00 178.00 179.25 2qt6 h THR 489 N 0.40 1.25 -0.54 -1.15 2.02 -1.19 -2.69 112.91 111.01 2qt6 h THR 489 Ca 0.39 -0.85 -0.02 0.00 0.77 0.00 0.00 66.41 66.70 2qt6 h THR 489 Cb 0.58 1.38 -0.02 0.00 -1.74 0.00 0.00 68.15 68.34 2qt6 h THR 489 CO -0.40 0.26 0.27 0.22 0.37 0.00 0.00 175.52 176.24 2qt6 h TYR 490 N 0.16 0.76 0.00 3.16 3.20 -0.59 -2.78 116.97 120.88 2qt6 h TYR 490 Ca 0.06 -0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.89 2qt6 h TYR 490 Cb 0.38 -0.24 -0.00 0.00 1.54 0.00 0.00 36.73 38.41 2qt6 h TYR 490 CO 0.03 0.58 -0.07 -0.44 -1.64 0.00 0.00 178.16 176.62 2qt6 h ASP 491 N 0.72 0.00 0.82 -2.11 3.32 -1.01 -2.41 116.42 115.74 2qt6 h ASP 491 Ca 0.19 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.24 2qt6 h ASP 491 Cb 0.10 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.65 2qt6 h ASP 491 CO -0.03 0.07 -0.05 0.00 -1.72 0.00 0.00 179.24 177.52 2qt6 n ALA 492 N -2.13 2.49 -1.76 3.45 0.00 -1.02 -4.88 120.51 116.67 2qt6 n ALA 492 Ca 0.02 -0.14 -0.34 0.00 0.00 0.00 0.00 53.44 52.97 2qt6 n ALA 492 Cb 0.41 -1.44 -0.01 0.00 0.00 0.00 0.00 19.45 18.41 2qt6 n ALA 492 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2qt6 s LEU 493 N -2.87 3.75 0.45 0.00 1.43 -0.91 -5.02 118.68 115.51 2qt6 s LEU 493 Ca 0.18 1.99 -0.24 0.00 -1.03 0.00 0.00 54.13 55.03 2qt6 s LEU 493 Cb 0.19 -4.56 -0.08 0.00 0.03 0.00 0.00 46.19 41.77 2qt6 s LEU 493 CO 0.52 -1.00 1.25 -0.70 0.23 0.00 0.00 176.35 176.65 2qt6 s GLU 494 N -3.40 3.76 0.48 1.70 -6.30 -1.26 -4.90 118.70 108.79 2qt6 s GLU 494 Ca 0.68 2.00 0.25 0.00 -2.50 0.00 0.00 54.97 55.40 2qt6 s GLU 494 Cb -0.19 -2.54 1.29 0.00 0.00 0.00 0.00 34.13 32.69 2qt6 s GLU 494 CO 0.25 -0.61 1.87 -1.35 0.02 0.00 0.00 175.26 175.45 2qt6 h PRO 495 N 2.25 0.19 0.00 4.30 0.11 -1.96 0.17 132.00 137.05 2qt6 h PRO 495 Ca -0.50 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.60 2qt6 h PRO 495 Cb 1.25 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2qt6 h PRO 495 CO 0.61 0.13 0.00 -1.13 -0.21 0.00 0.00 178.00 177.39 2qt6 n SER 496 N -4.40 0.00 -0.50 -2.05 3.41 -1.26 -2.22 113.62 106.60 2qt6 n SER 496 Ca 0.19 0.02 0.05 0.00 -0.26 0.00 0.00 58.87 58.87 2qt6 n SER 496 Cb 0.83 -0.28 0.09 0.00 -0.26 0.00 0.00 64.21 64.59 2qt6 n SER 496 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2qt6 n ASN 497 N -1.28 2.33 0.00 4.04 3.02 0.58 -4.77 115.26 119.18 2qt6 n ASN 497 Ca 0.08 -1.69 0.13 0.00 -0.03 0.00 0.00 54.58 53.07 2qt6 n ASN 497 Cb 0.14 -0.10 0.76 0.00 -0.61 0.00 0.00 39.78 39.97 2qt6 n ASN 497 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02