#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 1.39 0.00 0.00 -7.23 -0.39 -4.97 120.40 109.19 2qt6 s VAL 2 Ca 0.00 -2.10 0.00 0.00 -1.81 0.00 0.00 61.98 58.07 2qt6 s VAL 2 Cb 0.00 -2.22 0.00 0.00 0.56 0.00 0.00 36.38 34.72 2qt6 s VAL 2 CO 0.00 -0.45 0.00 0.61 -0.31 0.00 0.00 175.10 174.95 2qt6 n GLY 3 N -0.42 2.00 0.14 2.32 0.00 -1.26 -1.04 105.19 106.93 2qt6 n GLY 3 Ca -0.07 -2.02 0.13 0.00 0.00 0.00 0.00 46.02 44.06 2qt6 n GLY 3 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2qt6 h PRO 4 N 0.00 0.00 -4.95 1.61 0.13 -1.85 -3.44 132.00 123.51 2qt6 h PRO 4 Ca 0.00 0.00 -0.66 0.00 -0.87 0.00 0.00 66.00 64.47 2qt6 h PRO 4 Cb 0.00 0.00 -0.27 0.00 0.13 0.00 0.00 31.00 30.86 2qt6 h PRO 4 CO 0.00 0.00 -0.69 0.08 -0.23 0.00 0.00 178.00 177.16 2qt6 s VAL 5 N -3.30 3.63 -0.05 1.56 1.01 -1.26 -0.79 120.40 121.19 2qt6 s VAL 5 Ca 0.05 -0.50 -0.30 0.00 0.00 0.00 0.00 61.98 61.24 2qt6 s VAL 5 Cb 0.10 -2.71 0.09 0.00 0.00 0.00 0.00 36.38 33.85 2qt6 s VAL 5 CO 0.45 0.33 0.77 0.00 0.00 0.00 0.00 175.10 176.65 2qt6 s ALA 6 N 1.50 -1.79 -0.01 5.51 0.00 -0.63 -4.99 121.76 121.33 2qt6 s ALA 6 Ca 0.05 1.26 -0.22 0.00 0.00 0.00 0.00 51.96 53.05 2qt6 s ALA 6 Cb -0.15 -0.04 -0.05 0.00 0.00 0.00 0.00 23.12 22.88 2qt6 s ALA 6 CO -0.01 -0.43 0.65 -0.51 0.00 0.00 0.00 175.76 175.47 2qt6 s ASP 7 N -1.45 7.02 -0.30 0.00 1.01 -1.26 -0.76 116.67 120.92 2qt6 s ASP 7 Ca -0.06 1.21 -0.01 0.00 0.71 0.00 0.00 52.55 54.41 2qt6 s ASP 7 Cb -0.00 -2.40 0.06 0.00 1.01 0.00 0.00 42.92 41.59 2qt6 s ASP 7 CO 0.04 0.02 -0.01 -0.76 0.21 0.00 0.00 175.17 174.67 2qt6 s LEU 8 N 0.13 3.93 -0.25 1.23 1.43 0.05 -4.92 118.68 120.28 2qt6 s LEU 8 Ca 0.34 -1.38 -0.10 0.00 -1.03 0.00 0.00 54.13 51.96 2qt6 s LEU 8 Cb -0.18 -1.68 -0.05 0.00 0.03 0.00 0.00 46.19 44.31 2qt6 s LEU 8 CO 0.18 -0.27 0.15 -0.89 0.23 0.00 0.00 176.35 175.75 2qt6 s THR 9 N 1.20 5.16 -0.23 5.49 2.01 -1.26 -0.90 115.64 127.10 2qt6 s THR 9 Ca -0.04 0.11 -0.08 0.00 0.31 0.00 0.00 61.69 61.99 2qt6 s THR 9 Cb -0.20 -3.42 -0.04 0.00 0.01 0.00 0.00 72.50 68.86 2qt6 s THR 9 CO -0.02 0.32 0.09 -0.69 -0.69 0.00 0.00 174.62 173.63 2qt6 s VAL 10 N 1.30 4.59 0.29 3.82 1.01 -0.04 -0.73 120.40 130.64 2qt6 s VAL 10 Ca 0.07 -0.08 0.02 0.00 0.00 0.00 0.00 61.98 61.99 2qt6 s VAL 10 Cb -0.14 -3.13 -0.05 0.00 0.00 0.00 0.00 36.38 33.06 2qt6 s VAL 10 CO 0.06 0.36 0.12 0.42 0.00 0.00 0.00 175.10 176.06 2qt6 s THR 11 N 1.28 0.53 0.00 3.92 -4.23 -0.46 -0.56 115.64 116.12 2qt6 s THR 11 Ca 0.05 -2.00 -0.06 0.00 -1.18 0.00 0.00 61.69 58.50 2qt6 s THR 11 Cb -0.15 -2.58 -0.05 0.00 1.34 0.00 0.00 72.50 71.07 2qt6 s THR 11 CO 0.04 0.00 0.25 0.20 -0.54 0.00 0.00 174.62 174.57 2qt6 s ASN 12 N -3.37 6.46 0.06 3.99 -0.87 -1.26 -1.09 114.94 118.87 2qt6 s ASN 12 Ca 0.36 0.51 -0.20 0.00 -1.57 0.00 0.00 52.86 51.96 2qt6 s ASN 12 Cb 0.06 -2.07 0.04 0.00 -0.02 0.00 0.00 41.25 39.27 2qt6 s ASN 12 CO 0.15 0.26 0.46 0.00 -2.57 0.00 0.00 177.10 175.40 2qt6 s ALA 13 N -1.30 -1.14 -0.14 0.60 0.00 -0.67 -4.91 121.76 114.19 2qt6 s ALA 13 Ca 0.27 0.36 -0.20 0.00 0.00 0.00 0.00 51.96 52.40 2qt6 s ALA 13 Cb -0.13 0.44 -0.04 0.00 0.00 0.00 0.00 23.12 23.40 2qt6 s ALA 13 CO 0.16 -0.52 0.56 -0.80 0.00 0.00 0.00 175.76 175.16 2qt6 s ASN 14 N -2.16 6.72 0.16 0.00 0.01 -1.26 -0.76 114.94 117.64 2qt6 s ASN 14 Ca -0.04 0.86 0.02 0.00 -0.71 0.00 0.00 52.86 53.00 2qt6 s ASN 14 Cb -0.00 -2.32 -0.05 0.00 0.41 0.00 0.00 41.25 39.29 2qt6 s ASN 14 CO -0.04 -0.12 -0.02 0.27 -1.51 0.00 0.00 177.10 175.68 2qt6 s ILE 15 N 1.14 0.76 -0.37 0.60 -4.36 -0.33 -4.92 121.20 113.71 2qt6 s ILE 15 Ca 0.28 -1.99 0.12 0.00 -0.26 0.00 0.00 60.65 58.80 2qt6 s ILE 15 Cb -0.16 -2.02 0.34 0.00 1.25 0.00 0.00 42.46 41.87 2qt6 s ILE 15 CO 0.12 -0.57 0.71 1.33 0.24 0.00 0.00 174.94 176.77 2qt6 n VAL 16 N -0.21 -0.22 0.28 8.37 0.24 -1.26 -1.05 118.33 124.47 2qt6 n VAL 16 Ca -0.08 -4.49 0.16 0.00 -2.04 0.00 0.00 64.34 57.89 2qt6 n VAL 16 Cb 0.62 -0.42 0.81 0.00 -1.47 0.00 0.00 33.84 33.38 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 3.11 0.00 -0.05 7.34 0.13 -1.83 -1.81 132.00 138.89 2qt6 h PRO 17 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 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 0.49 0.06 0.00 -0.40 -0.23 0.00 0.00 178.00 177.92 2qt6 n ASP 18 N -3.30 2.58 0.00 1.44 5.68 -1.26 -2.92 116.55 118.77 2qt6 n ASP 18 Ca -0.01 -2.98 0.00 0.00 -0.50 0.00 0.00 54.79 51.29 2qt6 n ASP 18 Cb 0.24 -0.41 0.00 0.00 -1.14 0.00 0.00 41.12 39.80 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 -1.19 1.17 3.53 6.12 0.00 -0.68 -4.38 105.19 109.75 2qt6 n GLY 19 Ca 0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.96 3.02 -0.07 1.61 5.36 -1.26 -5.03 117.98 118.65 2qt6 s PHE 20 Ca 0.00 -0.20 -0.21 0.00 -0.96 0.00 0.00 56.93 55.56 2qt6 s PHE 20 Cb 0.00 -1.90 -0.04 0.00 -0.34 0.00 0.00 43.02 40.74 2qt6 s PHE 20 CO 0.00 0.08 0.59 -2.00 -1.46 0.00 0.00 175.22 172.43 2qt6 s GLU 21 N 0.03 4.37 0.05 10.12 2.12 -1.26 -4.15 118.70 129.98 2qt6 s GLU 21 Ca 0.00 0.69 -0.09 0.00 0.36 0.00 0.00 54.97 55.93 2qt6 s GLU 21 Cb -0.13 -3.42 -0.00 0.00 0.26 0.00 0.00 34.13 30.84 2qt6 s GLU 21 CO 0.03 0.18 0.18 -0.98 -0.54 0.00 0.00 175.26 174.12 2qt6 s ARG 22 N 0.49 0.70 0.34 4.30 1.70 -0.22 -4.95 118.95 121.31 2qt6 s ARG 22 Ca 0.32 -0.72 -0.28 0.00 -0.47 0.00 0.00 55.73 54.58 2qt6 s ARG 22 Cb -0.17 0.29 -0.10 0.00 -0.57 0.00 0.00 34.95 34.40 2qt6 s ARG 22 CO 0.15 -0.20 1.27 0.00 -1.08 0.00 0.00 175.30 175.44 2qt6 s ALA 23 N -2.83 3.43 0.35 7.88 0.00 -1.26 -1.19 121.76 128.14 2qt6 s ALA 23 Ca -0.03 1.19 -0.06 0.00 0.00 0.00 0.00 51.96 53.05 2qt6 s ALA 23 Cb 0.00 -3.45 0.02 0.00 0.00 0.00 0.00 23.12 19.69 2qt6 s ALA 23 CO -0.05 -0.59 0.56 0.00 0.00 0.00 0.00 175.76 175.67 2qt6 s ALA 24 N -1.18 0.33 -0.17 0.00 0.00 0.06 -4.93 121.76 115.87 2qt6 s ALA 24 Ca 0.50 -1.29 -0.06 0.00 0.00 0.00 0.00 51.96 51.11 2qt6 s ALA 24 Cb -0.38 1.03 -0.04 0.00 0.00 0.00 0.00 23.12 23.73 2qt6 s ALA 24 CO 0.50 -0.85 0.03 0.42 0.00 0.00 0.00 175.76 175.86 2qt6 s ILE 25 N -2.91 4.52 0.18 0.00 1.01 0.00 -1.67 121.20 122.32 2qt6 s ILE 25 Ca 0.26 -0.14 0.07 0.00 0.00 0.00 0.00 60.65 60.85 2qt6 s ILE 25 Cb -0.02 -3.01 -0.04 0.00 0.01 0.00 0.00 42.46 39.40 2qt6 s ILE 25 CO 0.17 0.49 -0.15 0.68 0.00 0.00 0.00 174.94 176.13 2qt6 s VAL 26 N 0.23 1.66 -0.10 2.92 -7.23 -0.25 -4.02 120.40 113.61 2qt6 s VAL 26 Ca 0.02 -2.03 0.03 0.00 -1.81 0.00 0.00 61.98 58.19 2qt6 s VAL 26 Cb -0.13 -1.88 0.01 0.00 0.56 0.00 0.00 36.38 34.94 2qt6 s VAL 26 CO 0.01 -0.49 -0.19 -0.69 -0.31 0.00 0.00 175.10 173.43 2qt6 s VAL 27 N -2.57 1.76 -1.57 1.32 1.01 -0.97 -1.35 120.40 118.02 2qt6 s VAL 27 Ca 0.18 -0.83 -0.16 0.00 0.00 0.00 0.00 61.98 61.18 2qt6 s VAL 27 Cb -0.03 -1.56 0.12 0.00 0.00 0.00 0.00 36.38 34.91 2qt6 s VAL 27 CO 0.06 0.49 0.79 0.59 0.00 0.00 0.00 175.10 177.03 2qt6 n ASN 28 N 3.85 -3.88 -0.06 3.32 3.02 0.09 -1.43 115.26 120.18 2qt6 n ASN 28 Ca -0.20 -0.82 -0.01 0.00 -0.03 0.00 0.00 54.58 53.53 2qt6 n ASN 28 Cb 0.52 -3.15 -0.00 0.00 -0.61 0.00 0.00 39.78 36.54 2qt6 n ASN 28 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2qt6 n ASN 29 N -2.63 -4.22 -4.22 6.41 3.02 -1.26 -4.98 115.26 107.38 2qt6 n ASN 29 Ca 0.05 0.02 -0.16 0.00 -0.03 0.00 0.00 54.58 54.46 2qt6 n ASN 29 Cb 0.51 -1.79 -0.11 0.00 -0.61 0.00 0.00 39.78 37.78 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 -1.66 1.19 -0.05 2.41 -7.23 -0.51 -5.03 120.40 109.52 2qt6 s VAL 30 Ca 0.00 -1.71 0.02 0.00 -1.81 0.00 0.00 61.98 58.48 2qt6 s VAL 30 Cb 0.00 -1.49 0.01 0.00 0.56 0.00 0.00 36.38 35.47 2qt6 s VAL 30 CO 0.00 -0.48 -0.09 0.12 -0.31 0.00 0.00 175.10 174.34 2qt6 s PHE 31 N -2.31 1.11 1.07 2.82 2.19 -1.26 -2.30 117.98 119.30 2qt6 s PHE 31 Ca 0.08 -0.36 -0.12 0.00 0.33 0.00 0.00 56.93 56.86 2qt6 s PHE 31 Cb -0.04 -0.85 0.21 0.00 -1.31 0.00 0.00 43.02 41.03 2qt6 s PHE 31 CO 0.02 -0.21 0.96 -2.30 1.83 0.00 0.00 175.22 175.52 2qt6 n PRO 32 N 3.80 -1.59 -1.24 10.12 -0.02 -1.26 -4.80 135.00 140.01 2qt6 n PRO 32 Ca -0.23 -0.42 -0.35 0.00 -2.02 0.00 0.00 63.50 60.48 2qt6 n PRO 32 Cb 0.52 -2.19 0.10 0.00 -0.02 0.00 0.00 33.50 31.91 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 -4.62 -0.30 -1.61 3.55 0.00 0.07 -4.90 120.51 112.70 2qt6 n ALA 33 Ca 0.06 -0.26 -0.35 0.00 0.00 0.00 0.00 53.44 52.89 2qt6 n ALA 33 Cb 0.54 -2.14 0.05 0.00 0.00 0.00 0.00 19.45 17.89 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 -3.62 2.73 0.09 0.00 0.04 -1.26 -4.19 135.00 128.78 2qt6 s PRO 34 Ca 0.72 1.74 -0.31 0.00 0.04 0.00 0.00 61.00 63.20 2qt6 s PRO 34 Cb -0.32 -1.91 -0.09 0.00 0.04 0.00 0.00 34.50 32.23 2qt6 s PRO 34 CO 0.51 -1.38 1.67 -1.17 0.04 0.00 0.00 177.00 176.68 2qt6 s LEU 35 N -4.48 4.37 -0.12 -3.56 2.96 -1.26 -4.50 118.68 112.09 2qt6 s LEU 35 Ca 0.75 2.54 -0.09 0.00 -0.22 0.00 0.00 54.13 57.11 2qt6 s LEU 35 Cb -0.28 -3.57 -0.04 0.00 0.50 0.00 0.00 46.19 42.79 2qt6 s LEU 35 CO 0.37 -0.90 0.18 -0.63 -1.32 0.00 0.00 176.35 174.06 2qt6 s ILE 36 N 2.50 5.42 0.10 6.68 1.01 -0.88 -1.27 121.20 134.77 2qt6 s ILE 36 Ca 0.75 0.30 0.02 0.00 0.00 0.00 0.00 60.65 61.72 2qt6 s ILE 36 Cb -0.41 -3.47 -0.04 0.00 0.01 0.00 0.00 42.46 38.55 2qt6 s ILE 36 CO 0.33 0.56 -0.08 0.42 0.00 0.00 0.00 174.94 176.17 2qt6 s THR 37 N -0.66 0.78 0.00 2.92 -4.23 -0.21 -0.71 115.64 113.54 2qt6 s THR 37 Ca 0.15 -1.84 0.00 0.00 -1.18 0.00 0.00 61.69 58.82 2qt6 s THR 37 Cb -0.12 -1.57 0.00 0.00 1.34 0.00 0.00 72.50 72.15 2qt6 s THR 37 CO 0.04 -0.77 0.00 0.61 -0.54 0.00 0.00 174.62 173.96 2qt6 n GLY 38 N 0.15 1.53 3.53 3.99 0.00 -1.05 -2.84 105.19 110.50 2qt6 n GLY 38 Ca -0.13 -0.87 -0.24 0.00 0.00 0.00 0.00 46.02 44.78 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 -0.28 3.92 0.06 1.61 0.02 -1.26 -0.85 114.94 118.16 2qt6 s ASN 39 Ca 0.00 -0.87 -0.38 0.00 -1.02 0.00 0.00 52.86 50.60 2qt6 s ASN 39 Cb 0.00 -0.49 -0.18 0.00 0.02 0.00 0.00 41.25 40.60 2qt6 s ASN 39 CO 0.00 0.04 1.26 0.80 0.02 0.00 0.00 177.10 179.22 2qt6 n MET 40 N -0.58 0.77 -0.40 -0.60 0.00 -0.18 -1.18 117.12 114.96 2qt6 n MET 40 Ca -0.06 0.28 0.00 0.00 -0.00 0.00 0.00 57.70 57.91 2qt6 n MET 40 Cb 0.59 -1.88 0.00 0.00 0.00 0.00 0.00 33.22 31.93 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 2.20 1.60 3.70 -5.12 0.00 -0.49 -4.96 105.19 102.13 2qt6 n GLY 41 Ca 0.19 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.88 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 -3.28 3.57 -0.41 1.61 1.01 -0.32 -4.38 116.67 114.48 2qt6 s ASP 42 Ca 0.00 2.30 -0.17 0.00 0.71 0.00 0.00 52.55 55.39 2qt6 s ASP 42 Cb 0.00 -2.58 0.02 0.00 1.01 0.00 0.00 42.92 41.36 2qt6 s ASP 42 CO 0.00 -2.68 0.42 0.21 0.21 0.00 0.00 175.17 173.33 2qt6 s ASN 43 N -2.31 6.19 -0.06 0.27 2.47 -1.26 -2.04 114.94 118.19 2qt6 s ASN 43 Ca 0.71 -0.60 -0.27 0.00 0.42 0.00 0.00 52.86 53.12 2qt6 s ASN 43 Cb -0.27 -2.22 -0.03 0.00 -1.45 0.00 0.00 41.25 37.29 2qt6 s ASN 43 CO 0.52 -0.53 0.87 -0.36 -3.72 0.00 0.00 177.10 173.88 2qt6 s PHE 44 N 2.10 3.58 -0.48 0.43 0.40 0.92 -4.66 117.98 120.27 2qt6 s PHE 44 Ca 0.12 1.48 0.03 0.00 -0.60 0.00 0.00 56.93 57.96 2qt6 s PHE 44 Cb -0.17 -3.01 0.13 0.00 0.51 0.00 0.00 43.02 40.48 2qt6 s PHE 44 CO 0.13 -0.03 0.24 -0.65 0.70 0.00 0.00 175.22 175.61 2qt6 s GLN 45 N 1.21 1.69 -0.35 0.44 -0.21 0.03 -1.33 119.66 121.16 2qt6 s GLN 45 Ca 0.45 -2.36 -0.06 0.00 0.02 0.00 0.00 55.36 53.41 2qt6 s GLN 45 Cb -0.19 -2.94 0.05 0.00 1.00 0.00 0.00 33.01 30.93 2qt6 s GLN 45 CO 0.21 -1.12 0.11 -0.51 -2.12 0.00 0.00 175.29 171.86 2qt6 s LEU 46 N 0.00 4.41 -0.45 2.90 1.43 0.31 -1.61 118.68 125.66 2qt6 s LEU 46 Ca 0.17 -1.27 -0.20 0.00 -1.03 0.00 0.00 54.13 51.80 2qt6 s LEU 46 Cb -0.25 -1.85 0.03 0.00 0.03 0.00 0.00 46.19 44.14 2qt6 s LEU 46 CO -0.00 -0.35 0.61 0.21 0.23 0.00 0.00 176.35 177.05 2qt6 s ASN 47 N 1.49 6.28 -0.30 2.29 2.47 0.06 -0.83 114.94 126.40 2qt6 s ASN 47 Ca -0.01 -0.50 -0.24 0.00 0.42 0.00 0.00 52.86 52.53 2qt6 s ASN 47 Cb -0.20 -2.30 0.00 0.00 -1.45 0.00 0.00 41.25 37.30 2qt6 s ASN 47 CO 0.02 -0.78 0.82 -0.22 -3.72 0.00 0.00 177.10 173.22 2qt6 s LEU 48 N 2.70 4.07 -0.37 3.21 1.98 -0.07 -0.77 118.68 129.44 2qt6 s LEU 48 Ca 0.20 0.76 -0.08 0.00 -2.89 0.00 0.00 54.13 52.11 2qt6 s LEU 48 Cb -0.15 -3.14 0.05 0.00 0.66 0.00 0.00 46.19 43.61 2qt6 s LEU 48 CO 0.17 -0.63 0.17 -0.69 -1.89 0.00 0.00 176.35 173.49 2qt6 s VAL 49 N 3.01 4.04 -0.35 1.68 1.01 -0.08 -0.81 120.40 128.91 2qt6 s VAL 49 Ca 0.34 -1.20 -0.16 0.00 0.00 0.00 0.00 61.98 60.96 2qt6 s VAL 49 Cb -0.14 -3.36 -0.01 0.00 0.00 0.00 0.00 36.38 32.87 2qt6 s VAL 49 CO 0.12 -0.31 0.40 0.21 0.00 0.00 0.00 175.10 175.52 2qt6 s ASN 50 N 1.67 6.21 -0.15 3.32 2.47 -0.53 -0.86 114.94 127.07 2qt6 s ASN 50 Ca 0.01 -0.21 0.17 0.00 0.42 0.00 0.00 52.86 53.24 2qt6 s ASN 50 Cb -0.21 -2.21 0.33 0.00 -1.45 0.00 0.00 41.25 37.71 2qt6 s ASN 50 CO 0.03 -0.38 1.18 0.00 -3.72 0.00 0.00 177.10 174.21 2qt6 n GLN 51 N 5.47 1.42 -2.19 0.43 6.02 0.27 -0.09 117.38 128.72 2qt6 n GLN 51 Ca -0.08 -2.76 -0.36 0.00 -0.01 0.00 0.00 57.00 53.79 2qt6 n GLN 51 Cb 0.49 -1.54 0.01 0.00 1.02 0.00 0.00 30.24 30.21 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 -2.96 3.42 0.00 -1.09 -1.94 -1.17 -4.62 119.30 110.95 2qt6 s MET 52 Ca 0.34 1.74 0.00 0.00 -1.71 0.00 0.00 55.69 56.06 2qt6 s MET 52 Cb 0.30 -2.15 0.00 0.00 2.01 0.00 0.00 34.83 35.00 2qt6 s MET 52 CO 0.01 -0.82 0.00 0.25 -0.01 0.00 0.00 175.02 174.45 2qt6 n THR 53 N -1.04 0.00 -3.06 2.05 -2.24 -1.26 -4.82 114.28 103.90 2qt6 n THR 53 Ca 0.10 -0.35 -0.43 0.00 -2.27 0.00 0.00 64.05 61.10 2qt6 n THR 53 Cb 0.49 0.94 -0.06 0.00 -2.10 0.00 0.00 70.33 69.61 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 -0.86 6.28 0.46 3.42 3.84 -1.26 -4.91 114.94 121.90 2qt6 s ASN 54 Ca 0.00 -0.64 0.15 0.00 0.21 0.00 0.00 52.86 52.58 2qt6 s ASN 54 Cb 0.00 -2.33 1.04 0.00 -0.55 0.00 0.00 41.25 39.41 2qt6 s ASN 54 CO 0.00 -0.95 2.01 1.12 -2.79 0.00 0.00 177.10 176.49 2qt6 h HIS 55 N 9.05 0.00 -0.07 0.43 2.07 -1.88 -2.38 115.15 122.37 2qt6 h HIS 55 Ca -0.27 0.00 -0.09 0.00 -2.85 0.00 0.00 60.37 57.16 2qt6 h HIS 55 Cb 1.09 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.06 2qt6 h HIS 55 CO 0.79 0.16 -0.39 1.15 -3.07 0.00 0.00 177.93 176.57 2qt6 h THR 56 N 0.00 1.29 -0.32 6.12 2.02 -1.92 -2.12 112.91 117.98 2qt6 h THR 56 Ca -0.00 -1.42 0.00 0.00 0.77 0.00 0.00 66.41 65.76 2qt6 h THR 56 Cb 0.29 1.68 0.00 0.00 -1.74 0.00 0.00 68.15 68.37 2qt6 h THR 56 CO 0.02 0.42 0.00 0.23 0.37 0.00 0.00 175.52 176.56 2qt6 n MET 57 N -4.05 2.30 -0.39 6.66 2.81 -1.00 -4.65 117.12 118.80 2qt6 n MET 57 Ca -0.02 -1.96 0.00 0.00 -1.81 0.00 0.00 57.70 53.92 2qt6 n MET 57 Cb 0.45 -1.48 0.00 0.00 -0.71 0.00 0.00 33.22 31.48 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 1.18 -1.95 0.17 4.03 4.77 -0.80 -4.84 117.00 119.56 2qt6 n LEU 58 Ca 0.18 0.00 0.06 0.00 -0.03 0.00 0.00 56.01 56.23 2qt6 n LEU 58 Cb 0.53 -0.56 0.10 0.00 -2.33 0.00 0.00 43.42 41.16 2qt6 n LEU 58 CO 0.15 0.00 0.61 0.11 -1.33 0.00 0.00 177.39 176.93 2qt6 h LYS 59 N 0.00 0.00 -6.83 3.23 1.57 -1.16 -3.46 116.57 109.93 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 0.31 -0.02 0.95 -0.57 0.00 0.00 179.45 180.11 2qt6 s THR 60 N -3.09 3.29 0.24 -0.16 -4.23 -1.25 -3.67 115.64 106.77 2qt6 s THR 60 Ca 0.05 -0.51 -0.18 0.00 -1.18 0.00 0.00 61.69 59.87 2qt6 s THR 60 Cb 0.07 -3.24 0.02 0.00 1.34 0.00 0.00 72.50 70.69 2qt6 s THR 60 CO 0.71 -0.18 0.58 0.28 -0.54 0.00 0.00 174.62 175.47 2qt6 s THR 61 N -2.73 0.01 -0.20 3.99 -1.32 -0.83 -4.91 115.64 109.66 2qt6 s THR 61 Ca 0.53 -0.98 -0.19 0.00 -1.21 0.00 0.00 61.69 59.85 2qt6 s THR 61 Cb -0.10 -1.85 0.05 0.00 -1.51 0.00 0.00 72.50 69.09 2qt6 s THR 61 CO 0.39 -0.04 0.53 -0.94 -2.21 0.00 0.00 174.62 172.35 2qt6 s SER 62 N -2.92 -0.55 -0.12 8.08 1.04 -1.26 -0.10 113.70 117.87 2qt6 s SER 62 Ca 0.13 1.06 0.02 0.00 0.48 0.00 0.00 55.95 57.63 2qt6 s SER 62 Cb -0.03 1.07 -0.01 0.00 0.10 0.00 0.00 66.02 67.16 2qt6 s SER 62 CO 0.03 -0.19 -0.18 -0.63 0.98 0.00 0.00 173.24 173.25 2qt6 s ILE 63 N 0.25 2.56 -0.06 -1.02 -1.09 -1.26 -0.18 121.20 120.40 2qt6 s ILE 63 Ca -0.00 -0.83 -0.02 0.00 -2.23 0.00 0.00 60.65 57.56 2qt6 s ILE 63 Cb -0.04 -2.04 -0.04 0.00 -1.58 0.00 0.00 42.46 38.77 2qt6 s ILE 63 CO 0.01 0.54 0.06 -2.28 -1.23 0.00 0.00 174.94 172.03 2qt6 s HIS 64 N 0.43 3.29 -0.52 3.97 5.65 -0.08 -3.78 115.29 124.24 2qt6 s HIS 64 Ca -0.13 0.27 -0.07 0.00 0.25 0.00 0.00 55.06 55.37 2qt6 s HIS 64 Cb -0.17 -1.80 0.14 0.00 -1.18 0.00 0.00 32.58 29.57 2qt6 s HIS 64 CO 0.06 0.55 0.38 -1.58 -0.65 0.00 0.00 174.74 173.50 2qt6 s TRP 65 N -1.02 3.48 -0.14 3.88 0.52 -1.24 -1.76 118.94 122.65 2qt6 s TRP 65 Ca 0.17 -2.13 -0.29 0.00 0.02 0.00 0.00 56.10 53.86 2qt6 s TRP 65 Cb -0.12 -3.43 -0.02 0.00 -1.15 0.00 0.00 33.47 28.75 2qt6 s TRP 65 CO 0.07 -0.96 1.34 -1.58 0.02 0.00 0.00 176.95 175.84 2qt6 s HIS 66 N 0.95 2.67 0.00 -1.98 2.46 0.10 -2.71 115.29 116.78 2qt6 s HIS 66 Ca 0.09 0.84 0.00 0.00 0.47 0.00 0.00 55.06 56.46 2qt6 s HIS 66 Cb -0.23 -3.59 0.00 0.00 -0.13 0.00 0.00 32.58 28.63 2qt6 s HIS 66 CO -0.03 -2.15 0.00 0.41 -2.47 0.00 0.00 174.74 170.50 2qt6 n GLY 67 N 3.72 1.05 3.75 1.59 0.00 -1.26 -3.69 105.19 110.35 2qt6 n GLY 67 Ca 0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.16 3.71 0.27 1.61 0.08 -1.10 -4.87 117.98 115.52 2qt6 s PHE 68 Ca 0.00 1.38 0.22 0.00 0.12 0.00 0.00 56.93 58.65 2qt6 s PHE 68 Cb 0.00 -2.76 0.99 0.00 -0.57 0.00 0.00 43.02 40.68 2qt6 s PHE 68 CO 0.00 0.28 1.88 0.74 -0.10 0.00 0.00 175.22 178.01 2qt6 h PHE 69 N 5.76 0.00 -5.36 0.36 0.04 -1.91 -3.39 116.94 112.44 2qt6 h PHE 69 Ca -0.44 0.00 -0.41 0.00 2.80 0.00 0.00 57.97 59.92 2qt6 h PHE 69 Cb 1.20 0.00 0.05 0.00 2.20 0.00 0.00 35.95 39.40 2qt6 h PHE 69 CO 0.65 0.25 -0.65 1.04 -0.60 0.00 0.00 178.31 179.01 2qt6 n GLN 70 N -3.61 -5.73 -1.93 1.51 1.13 -1.26 -4.47 117.38 103.02 2qt6 n GLN 70 Ca -0.01 0.77 -0.42 0.00 -1.94 0.00 0.00 57.00 55.40 2qt6 n GLN 70 Cb 0.39 -5.68 -0.03 0.00 0.11 0.00 0.00 30.24 25.03 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 -6.10 4.18 0.00 -1.09 2.20 -1.26 -0.86 119.74 116.81 2qt6 s LYS 71 Ca 0.47 2.31 0.00 0.00 -0.36 0.00 0.00 55.97 58.39 2qt6 s LYS 71 Cb -0.22 -3.88 0.00 0.00 -1.51 0.00 0.00 37.83 32.22 2qt6 s LYS 71 CO 0.58 -0.82 0.00 0.41 -0.36 0.00 0.00 175.35 175.16 2qt6 n GLY 72 N 4.15 2.07 2.52 5.54 0.00 -1.26 -4.85 105.19 113.35 2qt6 n GLY 72 Ca 0.17 0.00 -0.16 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 1.78 0.26 2.61 -2.24 -0.04 -4.33 114.28 110.32 2qt6 n THR 73 Ca 0.00 -3.89 0.08 0.00 -2.27 0.00 0.00 64.05 57.97 2qt6 n THR 73 Cb 0.00 -0.21 0.64 0.00 -2.10 0.00 0.00 70.33 68.66 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 2.65 0.00 0.16 3.42 -0.73 -1.86 -0.68 115.58 118.55 2qt6 h ASN 74 Ca 0.11 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.28 2qt6 h ASN 74 Cb 1.17 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.76 2qt6 h ASN 74 CO 0.61 0.01 0.00 4.11 -0.37 0.00 0.00 177.43 181.79 2qt6 h TRP 75 N 0.00 0.00 -0.06 0.67 5.08 -1.89 -2.37 115.95 117.38 2qt6 h TRP 75 Ca -0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 2qt6 h TRP 75 Cb 0.02 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.18 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 -1.90 2.48 0.04 0.11 0.00 -0.26 -4.57 120.51 116.42 2qt6 n ALA 76 Ca -0.01 -0.67 -0.04 0.00 0.00 0.00 0.00 53.44 52.72 2qt6 n ALA 76 Cb 0.09 -0.89 0.18 0.00 0.00 0.00 0.00 19.45 18.84 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 4.22 0.41 0.00 0.00 3.58 -1.52 -3.44 116.42 119.66 2qt6 h ASP 77 Ca 0.00 -0.17 0.00 0.00 0.42 0.00 0.00 57.03 57.28 2qt6 h ASP 77 Cb 0.90 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 41.83 2qt6 h ASP 77 CO 0.00 0.75 0.00 0.61 -2.88 0.00 0.00 179.24 177.72 2qt6 n GLY 78 N -0.18 2.70 3.69 -0.78 0.00 -1.25 -3.72 105.19 105.65 2qt6 n GLY 78 Ca -0.01 -0.84 -0.52 0.00 0.00 0.00 0.00 46.02 44.65 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 1.78 -1.97 1.61 -0.02 -1.26 -4.21 135.00 130.93 2qt6 n PRO 79 Ca 0.00 0.65 -0.41 0.00 -2.02 0.00 0.00 63.50 61.72 2qt6 n PRO 79 Cb 0.00 -2.43 -0.02 0.00 -0.02 0.00 0.00 33.50 31.02 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 3.75 3.65 0.00 3.55 0.00 -0.47 -1.10 121.76 131.14 2qt6 s ALA 80 Ca 0.94 1.37 0.00 0.00 0.00 0.00 0.00 51.96 54.27 2qt6 s ALA 80 Cb -0.84 -3.57 0.00 0.00 0.00 0.00 0.00 23.12 18.71 2qt6 s ALA 80 CO 0.56 -0.78 0.00 1.19 0.00 0.00 0.00 175.76 176.73 2qt6 n PHE 81 N 2.34 0.00 -0.07 0.00 3.72 0.27 -4.76 117.46 118.96 2qt6 n PHE 81 Ca 0.07 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.33 2qt6 n PHE 81 Cb 0.40 -0.99 -0.05 0.00 -0.94 0.00 0.00 39.48 37.90 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 -2.22 1.25 0.32 4.37 2.08 -0.66 -2.07 119.36 122.42 2qt6 n ILE 82 Ca 0.00 -0.02 0.04 0.00 0.56 0.00 0.00 62.75 63.32 2qt6 n ILE 82 Cb 0.14 -1.95 -0.05 0.00 -0.75 0.00 0.00 39.64 37.04 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 0.81 -3.59 4.38 4.13 -0.26 -0.40 115.26 116.31 2qt6 n ASN 83 Ca -0.24 -0.58 -0.07 0.00 1.68 0.00 0.00 54.58 55.37 2qt6 n ASN 83 Cb 0.57 1.06 -0.02 0.00 -1.54 0.00 0.00 39.78 39.85 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 -1.88 1.06 0.48 3.52 -2.07 -1.23 -4.57 119.66 114.97 2qt6 s GLN 84 Ca 0.02 -0.47 -0.09 0.00 -1.82 0.00 0.00 55.36 52.99 2qt6 s GLN 84 Cb 0.06 0.43 -0.05 0.00 -1.09 0.00 0.00 33.01 32.36 2qt6 s GLN 84 CO 0.33 -0.47 0.84 0.00 -1.32 0.00 0.00 175.29 174.67 2qt6 s PRO 86 N -4.43 1.79 -0.08 0.00 0.02 -1.26 -4.84 135.00 126.20 2qt6 s PRO 86 Ca 0.51 1.59 -0.19 0.00 0.02 0.00 0.00 61.00 62.93 2qt6 s PRO 86 Cb -0.10 -1.81 -0.04 0.00 0.02 0.00 0.00 34.50 32.56 2qt6 s PRO 86 CO 0.40 -2.06 0.53 0.42 -0.33 0.00 0.00 177.00 175.96 2qt6 s ILE 87 N -2.36 5.11 0.43 2.83 1.01 0.86 -4.69 121.20 124.39 2qt6 s ILE 87 Ca 0.69 1.08 -0.22 0.00 0.00 0.00 0.00 60.65 62.21 2qt6 s ILE 87 Cb -0.25 -3.87 -0.10 0.00 0.01 0.00 0.00 42.46 38.25 2qt6 s ILE 87 CO 0.51 0.34 0.99 0.00 0.00 0.00 0.00 174.94 176.78 2qt6 s ALA 88 N 0.41 3.01 0.38 9.38 0.00 -1.26 -1.96 121.76 131.73 2qt6 s ALA 88 Ca 0.29 0.51 -0.28 0.00 0.00 0.00 0.00 51.96 52.48 2qt6 s ALA 88 Cb -0.16 -3.20 -0.10 0.00 0.00 0.00 0.00 23.12 19.66 2qt6 s ALA 88 CO 0.13 -0.04 1.44 0.45 0.00 0.00 0.00 175.76 177.75 2qt6 s SER 89 N -2.00 6.33 0.00 0.00 0.15 -1.24 -1.57 113.70 115.37 2qt6 s SER 89 Ca 0.62 2.96 0.00 0.00 0.70 0.00 0.00 55.95 60.23 2qt6 s SER 89 Cb -0.14 -2.66 0.00 0.00 -1.71 0.00 0.00 66.02 61.51 2qt6 s SER 89 CO 0.18 -0.87 0.00 0.61 1.20 0.00 0.00 173.24 174.35 2qt6 n GLY 90 N 0.53 1.35 3.68 9.45 0.00 0.88 -5.00 105.19 116.08 2qt6 n GLY 90 Ca 0.02 0.00 -0.24 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 -3.02 4.35 0.24 1.61 0.02 -0.61 -4.97 114.94 112.57 2qt6 s ASN 91 Ca 0.00 -0.96 0.10 0.00 -1.02 0.00 0.00 52.86 50.98 2qt6 s ASN 91 Cb 0.00 -0.57 -0.05 0.00 0.02 0.00 0.00 41.25 40.65 2qt6 s ASN 91 CO 0.00 -0.32 -0.17 -0.44 0.02 0.00 0.00 177.10 176.18 2qt6 s SER 92 N -3.79 3.08 -0.14 -1.22 0.01 -1.26 -1.45 113.70 108.93 2qt6 s SER 92 Ca 0.37 -1.01 -0.07 0.00 1.31 0.00 0.00 55.95 56.54 2qt6 s SER 92 Cb 0.00 -0.22 0.06 0.00 0.21 0.00 0.00 66.02 66.07 2qt6 s SER 92 CO 0.21 -0.06 0.33 0.12 0.41 0.00 0.00 173.24 174.25 2qt6 s PHE 93 N -2.68 -0.49 -0.34 2.43 5.36 0.01 -4.97 117.98 117.31 2qt6 s PHE 93 Ca 0.26 1.07 -0.19 0.00 -0.96 0.00 0.00 56.93 57.11 2qt6 s PHE 93 Cb -0.03 0.16 -0.00 0.00 -0.34 0.00 0.00 43.02 42.80 2qt6 s PHE 93 CO 0.11 -0.31 0.57 -1.17 -1.46 0.00 0.00 175.22 172.96 2qt6 s LEU 94 N 1.47 4.25 -0.33 6.12 2.96 -1.26 -0.89 118.68 131.00 2qt6 s LEU 94 Ca -0.08 0.16 -0.24 0.00 -0.22 0.00 0.00 54.13 53.75 2qt6 s LEU 94 Cb -0.10 -2.70 0.01 0.00 0.50 0.00 0.00 46.19 43.90 2qt6 s LEU 94 CO -0.11 -0.50 0.80 -0.31 -1.32 0.00 0.00 176.35 174.92 2qt6 s TYR 95 N 2.53 3.16 -0.28 5.38 1.51 -0.01 -4.94 117.35 124.70 2qt6 s TYR 95 Ca 0.22 0.73 0.01 0.00 -1.01 0.00 0.00 57.07 57.01 2qt6 s TYR 95 Cb -0.15 -3.33 0.08 0.00 -0.11 0.00 0.00 41.96 38.46 2qt6 s TYR 95 CO 0.13 -0.65 0.04 0.34 -1.11 0.00 0.00 175.55 174.30 2qt6 s ASP 96 N 1.72 4.04 0.27 2.29 3.68 -1.26 -0.53 116.67 126.87 2qt6 s ASP 96 Ca 0.33 -1.54 -0.04 0.00 2.13 0.00 0.00 52.55 53.42 2qt6 s ASP 96 Cb -0.14 -1.10 -0.01 0.00 -1.45 0.00 0.00 42.92 40.22 2qt6 s ASP 96 CO 0.15 -0.35 0.36 0.72 0.13 0.00 0.00 175.17 176.18 2qt6 s PHE 97 N 1.42 0.93 0.19 -5.34 -0.12 -0.44 -5.00 117.98 109.62 2qt6 s PHE 97 Ca 0.04 -1.17 0.08 0.00 -0.05 0.00 0.00 56.93 55.83 2qt6 s PHE 97 Cb -0.18 -0.19 -0.04 0.00 -0.63 0.00 0.00 43.02 41.97 2qt6 s PHE 97 CO -0.14 -0.93 -0.15 -0.65 -0.05 0.00 0.00 175.22 173.30 2qt6 s GLN 98 N -3.71 1.28 -0.56 1.99 -0.21 -1.26 -0.06 119.66 117.14 2qt6 s GLN 98 Ca 0.31 -1.51 0.06 0.00 0.02 0.00 0.00 55.36 54.24 2qt6 s GLN 98 Cb 0.02 -1.14 0.34 0.00 1.00 0.00 0.00 33.01 33.23 2qt6 s GLN 98 CO 0.15 0.20 0.92 1.33 -2.12 0.00 0.00 175.29 175.77 2qt6 n VAL 99 N -0.13 2.72 -1.95 1.09 0.24 -0.87 -4.71 118.33 114.71 2qt6 n VAL 99 Ca -0.10 -5.47 -0.40 0.00 -2.04 0.00 0.00 64.34 56.33 2qt6 n VAL 99 Cb 0.59 -1.29 0.00 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 -3.34 3.94 0.00 7.34 0.04 -1.26 -1.39 135.00 140.32 2qt6 s PRO 100 Ca 0.48 2.29 0.00 0.00 0.04 0.00 0.00 61.00 63.81 2qt6 s PRO 100 Cb 0.28 -2.78 0.00 0.00 0.04 0.00 0.00 34.50 32.04 2qt6 s PRO 100 CO -0.13 -0.57 0.00 0.41 0.04 0.00 0.00 177.00 176.75 2qt6 n GLY 101 N 0.63 0.81 3.21 0.56 0.00 -1.26 -4.86 105.19 104.27 2qt6 n GLY 101 Ca 0.03 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.16 1.51 -0.28 1.61 -0.21 -1.14 -5.07 119.66 115.91 2qt6 s GLN 102 Ca 0.00 -0.76 -0.17 0.00 0.02 0.00 0.00 55.36 54.44 2qt6 s GLN 102 Cb 0.00 -1.50 0.09 0.00 1.00 0.00 0.00 33.01 32.60 2qt6 s GLN 102 CO 0.00 0.40 0.73 0.00 -2.12 0.00 0.00 175.29 174.30 2qt6 s ALA 103 N -0.56 -1.90 0.00 6.09 0.00 -1.26 -4.26 121.76 119.86 2qt6 s ALA 103 Ca 0.07 2.34 0.00 0.00 0.00 0.00 0.00 51.96 54.37 2qt6 s ALA 103 Cb -0.08 -1.42 0.00 0.00 0.00 0.00 0.00 23.12 21.62 2qt6 s ALA 103 CO -0.00 -0.37 0.00 0.41 0.00 0.00 0.00 175.76 175.80 2qt6 n GLY 104 N 3.99 -0.47 3.40 0.00 0.00 0.35 -4.69 105.19 107.77 2qt6 n GLY 104 Ca -0.19 -1.14 -0.34 0.00 0.00 0.00 0.00 46.02 44.34 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 -3.00 3.64 0.07 2.61 2.01 -1.26 -1.60 115.64 118.11 2qt6 s THR 105 Ca 0.00 -0.42 0.01 0.00 0.31 0.00 0.00 61.69 61.59 2qt6 s THR 105 Cb 0.00 -2.63 -0.00 0.00 0.01 0.00 0.00 72.50 69.88 2qt6 s THR 105 CO 0.00 0.45 0.04 0.49 -0.69 0.00 0.00 174.62 174.91 2qt6 n PHE 106 N 4.22 -0.06 -3.85 4.92 3.72 0.11 -3.56 117.46 122.96 2qt6 n PHE 106 Ca -0.18 -0.50 -0.10 0.00 -0.05 0.00 0.00 57.45 56.63 2qt6 n PHE 106 Cb 0.52 0.02 0.01 0.00 -0.94 0.00 0.00 39.48 39.09 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 -2.02 0.25 0.03 1.38 1.48 -1.24 -1.61 118.94 117.21 2qt6 s TRP 107 Ca 0.05 -0.85 -0.07 0.00 -1.06 0.00 0.00 56.10 54.18 2qt6 s TRP 107 Cb 0.00 0.69 -0.01 0.00 -1.16 0.00 0.00 33.47 33.00 2qt6 s TRP 107 CO 0.04 -1.49 0.12 1.52 -4.06 0.00 0.00 176.95 173.08 2qt6 s TYR 108 N -2.49 0.13 -0.01 1.66 1.13 -0.01 0.02 117.35 117.79 2qt6 s TYR 108 Ca 0.18 -0.36 -0.28 0.00 -1.41 0.00 0.00 57.07 55.20 2qt6 s TYR 108 Cb -0.04 -0.10 0.09 0.00 -1.10 0.00 0.00 41.96 40.81 2qt6 s TYR 108 CO 0.13 -0.35 0.80 -3.38 -2.51 0.00 0.00 175.55 170.23 2qt6 s HIS 109 N -2.21 -0.47 0.43 -3.49 -3.43 -0.72 -1.36 115.29 104.04 2qt6 s HIS 109 Ca -0.08 0.54 -0.25 0.00 -0.80 0.00 0.00 55.06 54.47 2qt6 s HIS 109 Cb -0.03 0.50 -0.10 0.00 -1.43 0.00 0.00 32.58 31.52 2qt6 s HIS 109 CO -0.03 -0.59 1.17 0.45 -2.00 0.00 0.00 174.74 173.75 2qt6 n SER 110 N 0.19 2.02 -2.29 7.38 2.88 -0.23 -0.90 113.62 122.67 2qt6 n SER 110 Ca -0.13 1.07 -0.17 0.00 -1.33 0.00 0.00 58.87 58.30 2qt6 n SER 110 Cb 0.61 -1.45 0.03 0.00 -0.75 0.00 0.00 64.21 62.65 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 2.35 -4.06 0.66 -0.00 0.75 -4.32 115.22 110.19 2qt6 n HIS 111 Ca 0.08 -2.28 -0.33 0.00 0.46 0.00 0.00 57.72 55.65 2qt6 n HIS 111 Cb 0.40 -0.29 -0.15 0.00 -0.12 0.00 0.00 29.99 29.82 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 -3.64 2.43 0.00 0.27 2.96 -1.26 -1.37 118.68 118.07 2qt6 s LEU 112 Ca 0.44 -0.66 0.00 0.00 -0.22 0.00 0.00 54.13 53.69 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 0.00 -0.02 0.00 -0.24 -1.32 0.00 0.00 176.35 174.77 2qt6 n SER 113 N 4.65 0.00 -1.86 3.68 2.88 -1.26 -1.66 113.62 120.05 2qt6 n SER 113 Ca -0.20 0.00 -0.02 0.00 -1.33 0.00 0.00 58.87 57.32 2qt6 n SER 113 Cb 0.49 0.00 0.30 0.00 -0.75 0.00 0.00 64.21 64.26 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 2.63 0.09 2.46 -2.24 -1.26 -4.65 114.28 111.31 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 -0.37 0.49 0.00 -2.10 0.00 0.00 70.33 68.35 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 2.78 0.35 0.00 -0.78 4.15 -1.64 -1.58 115.11 118.39 2qt6 h GLN 115 Ca 0.17 -0.03 -0.01 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 -0.06 0.10 -1.93 0.00 0.00 178.83 177.80 2qt6 h TYR 116 N 0.36 0.00 -0.30 3.99 -0.00 -1.79 -0.97 116.97 118.26 2qt6 h TYR 116 Ca 0.10 0.00 -0.04 0.00 0.00 0.00 0.00 58.73 58.78 2qt6 h TYR 116 Cb -0.01 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 36.70 2qt6 h TYR 116 CO 0.00 0.06 0.00 0.00 -0.00 0.00 0.00 178.16 178.22 2qt6 n ASP 118 N -4.31 0.00 0.00 0.00 8.00 -0.37 -4.82 116.55 115.05 2qt6 n ASP 118 Ca 0.01 -0.90 0.00 0.00 0.71 0.00 0.00 54.79 54.61 2qt6 n ASP 118 Cb 0.22 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.32 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 0.71 0.57 3.44 0.44 0.00 -0.48 -0.82 105.19 109.05 2qt6 n GLY 119 Ca 0.20 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.78 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 5.26 -3.64 0.99 0.00 -1.12 -4.41 117.00 114.08 2qt6 n LEU 120 Ca 0.00 -4.26 -0.10 0.00 0.00 0.00 0.00 56.01 51.65 2qt6 n LEU 120 Cb 0.00 -1.66 -0.07 0.00 0.00 0.00 0.00 43.42 41.69 2qt6 n LEU 120 CO 0.00 0.57 0.40 0.00 0.00 0.00 0.00 177.39 178.35 2qt6 s ARG 121 N 2.55 0.75 0.33 1.96 1.70 -1.26 -1.07 118.95 123.91 2qt6 s ARG 121 Ca 0.47 1.10 -0.17 0.00 -0.47 0.00 0.00 55.73 56.66 2qt6 s ARG 121 Cb 0.01 0.25 0.06 0.00 -0.57 0.00 0.00 34.95 34.71 2qt6 s ARG 121 CO 0.03 -0.13 0.85 0.20 -1.08 0.00 0.00 175.30 175.18 2qt6 s GLY 122 N 1.07 0.30 0.47 3.88 0.00 -0.46 -0.75 107.32 111.82 2qt6 s GLY 122 Ca -0.05 -0.64 -0.05 0.00 0.00 0.00 0.00 44.72 43.98 2qt6 s GLY 122 CO -0.11 0.38 0.76 2.56 0.00 0.00 0.00 173.10 176.69 2qt6 s PRO 123 N -2.30 3.54 -0.19 2.90 0.04 -1.26 -0.83 135.00 136.90 2qt6 s PRO 123 Ca 0.17 0.15 -0.05 0.00 0.04 0.00 0.00 61.00 61.32 2qt6 s PRO 123 Cb -0.04 -2.40 0.10 0.00 0.04 0.00 0.00 34.50 32.19 2qt6 s PRO 123 CO 0.10 -0.17 0.34 0.12 0.04 0.00 0.00 177.00 177.43 2qt6 s PHE 124 N -2.70 -0.63 -0.11 0.56 2.19 -0.63 -2.07 117.98 114.58 2qt6 s PHE 124 Ca 0.47 1.02 0.03 0.00 0.33 0.00 0.00 56.93 58.78 2qt6 s PHE 124 Cb -0.10 0.05 0.00 0.00 -1.31 0.00 0.00 43.02 41.65 2qt6 s PHE 124 CO 0.44 -0.52 -0.22 0.08 1.83 0.00 0.00 175.22 176.82 2qt6 s VAL 125 N 2.50 2.17 -0.32 3.12 1.01 0.11 0.09 120.40 129.09 2qt6 s VAL 125 Ca 0.04 -0.97 -0.06 0.00 0.00 0.00 0.00 61.98 60.99 2qt6 s VAL 125 Cb -0.13 -1.84 0.03 0.00 0.00 0.00 0.00 36.38 34.43 2qt6 s VAL 125 CO -0.12 0.55 0.07 -0.69 0.00 0.00 0.00 175.10 174.92 2qt6 s VAL 126 N 0.45 3.68 0.47 2.92 1.01 -0.63 -2.52 120.40 125.79 2qt6 s VAL 126 Ca -0.15 -1.03 -0.13 0.00 0.00 0.00 0.00 61.98 60.67 2qt6 s VAL 126 Cb -0.17 -3.02 -0.07 0.00 0.00 0.00 0.00 36.38 33.12 2qt6 s VAL 126 CO 0.06 -0.07 0.88 -0.31 0.00 0.00 0.00 175.10 175.66 2qt6 s TYR 127 N 1.41 3.48 -0.26 5.22 2.02 -0.03 -0.49 117.35 128.70 2qt6 s TYR 127 Ca -0.01 1.23 -0.01 0.00 -0.37 0.00 0.00 57.07 57.91 2qt6 s TYR 127 Cb -0.19 -2.60 0.04 0.00 -0.40 0.00 0.00 41.96 38.81 2qt6 s TYR 127 CO 0.02 -0.27 -0.06 0.34 -1.57 0.00 0.00 175.55 174.01 2qt6 s ASP 128 N -3.26 4.42 0.45 2.29 -1.08 -1.26 -1.01 116.67 117.23 2qt6 s ASP 128 Ca 0.54 -1.03 0.31 0.00 -0.52 0.00 0.00 52.55 51.86 2qt6 s ASP 128 Cb -0.10 -1.65 1.59 0.00 -1.46 0.00 0.00 42.92 41.30 2qt6 s ASP 128 CO 0.34 -0.16 1.94 1.55 0.52 0.00 0.00 175.17 179.36 2qt6 h PRO 129 N 7.98 0.00 -0.32 4.34 0.13 -1.97 -1.52 132.00 140.64 2qt6 h PRO 129 Ca -0.29 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.64 2qt6 h PRO 129 Cb 1.09 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.09 2qt6 h PRO 129 CO 0.55 0.00 -0.34 0.09 -0.23 0.00 0.00 178.00 178.07 2qt6 n ASN 130 N -2.62 2.83 -4.67 1.44 4.13 -1.26 -5.07 115.26 110.03 2qt6 n ASN 130 Ca -0.01 -3.83 -0.51 0.00 1.68 0.00 0.00 54.58 51.90 2qt6 n ASN 130 Cb 0.10 -0.56 -0.05 0.00 -1.54 0.00 0.00 39.78 37.73 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 -1.04 2.82 0.26 6.41 -0.08 -0.57 -4.82 116.55 119.53 2qt6 n ASP 131 Ca 0.31 1.04 0.18 0.00 -1.51 0.00 0.00 54.79 54.81 2qt6 n ASP 131 Cb 0.88 -1.29 0.88 0.00 2.34 0.00 0.00 41.12 43.92 2qt6 n ASP 131 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 2qt6 h PRO 132 N 7.30 0.00 -0.25 -0.67 0.13 -1.97 -1.66 132.00 134.88 2qt6 h PRO 132 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2qt6 h PRO 132 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 2qt6 h PRO 132 CO 0.91 0.00 0.00 0.72 -0.23 0.00 0.00 178.00 179.40 2qt6 n HIS 133 N -2.82 0.31 -0.08 1.56 8.25 -1.26 -4.53 115.22 116.65 2qt6 n HIS 133 Ca -0.01 -0.16 0.18 0.00 -0.26 0.00 0.00 57.72 57.47 2qt6 n HIS 133 Cb 0.14 0.00 0.60 0.00 1.12 0.00 0.00 29.99 31.86 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 4.32 2.33 0.00 -1.41 0.00 -1.66 -0.85 119.26 121.99 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 0.75 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.53 2qt6 h ALA 134 CO 0.00 -0.51 0.00 0.27 0.00 0.00 0.00 179.25 179.01 2qt6 n ASN 135 N -4.42 0.36 -0.03 0.00 0.23 -1.26 -2.73 115.26 107.41 2qt6 n ASN 135 Ca 0.12 0.58 0.13 0.00 -0.53 0.00 0.00 54.58 54.88 2qt6 n ASN 135 Cb 0.58 -0.66 0.48 0.00 -2.08 0.00 0.00 39.78 38.10 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 -1.89 0.31 -3.76 -4.53 4.77 -0.32 -4.93 117.00 106.65 2qt6 n LEU 136 Ca 0.03 0.19 -0.10 0.00 -0.03 0.00 0.00 56.01 56.10 2qt6 n LEU 136 Cb 0.23 -0.33 -0.05 0.00 -2.33 0.00 0.00 43.42 40.95 2qt6 n LEU 136 CO 0.19 0.07 0.16 -0.72 -1.33 0.00 0.00 177.39 175.75 2qt6 s TYR 137 N -2.87 -0.02 -0.20 -1.77 -0.85 -1.10 -4.82 117.35 105.71 2qt6 s TYR 137 Ca 0.17 -0.32 0.10 0.00 -0.52 0.00 0.00 57.07 56.49 2qt6 s TYR 137 Cb 0.19 0.23 -0.19 0.00 0.38 0.00 0.00 41.96 42.56 2qt6 s TYR 137 CO 0.58 -0.79 -0.05 -0.25 -1.52 0.00 0.00 175.55 173.52 2qt6 n ASP 138 N -0.26 1.22 -4.10 -0.18 8.00 0.21 -4.96 116.55 116.49 2qt6 n ASP 138 Ca -0.12 -0.05 -0.27 0.00 0.71 0.00 0.00 54.79 55.06 2qt6 n ASP 138 Cb 0.63 0.38 -0.16 0.00 -0.02 0.00 0.00 41.12 41.94 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 -2.45 1.41 -0.30 2.53 1.01 -0.72 -5.01 120.40 116.87 2qt6 s VAL 139 Ca -0.19 -0.66 0.04 0.00 0.00 0.00 0.00 61.98 61.17 2qt6 s VAL 139 Cb 0.07 -1.25 0.18 0.00 0.00 0.00 0.00 36.38 35.37 2qt6 s VAL 139 CO 0.66 0.41 0.49 -0.62 0.00 0.00 0.00 175.10 176.04 2qt6 s ASP 140 N 0.40 -0.45 0.00 3.32 2.15 -1.26 -0.95 116.67 119.88 2qt6 s ASP 140 Ca -0.12 -0.23 0.00 0.00 0.43 0.00 0.00 52.55 52.63 2qt6 s ASP 140 Cb -0.15 1.48 0.00 0.00 -0.30 0.00 0.00 42.92 43.95 2qt6 s ASP 140 CO 0.04 -0.32 0.00 -0.90 -0.17 0.00 0.00 175.17 173.82 2qt6 n ASP 141 N 5.29 0.00 0.20 -0.34 5.68 -1.26 -5.01 116.55 121.11 2qt6 n ASP 141 Ca 0.03 -0.63 0.07 0.00 -0.50 0.00 0.00 54.79 53.76 2qt6 n ASP 141 Cb 0.51 0.00 0.59 0.00 -1.14 0.00 0.00 41.12 41.08 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 0.12 0.00 0.11 4.81 -2.00 -0.86 114.58 116.77 2qt6 h GLU 142 Ca 0.00 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 2qt6 h GLU 142 Cb 0.00 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.35 2qt6 h GLU 142 CO 0.00 0.08 0.00 -1.13 -0.73 0.00 0.00 179.01 177.23 2qt6 n SER 143 N -4.52 0.00 -0.67 1.04 3.41 -1.26 -2.72 113.62 108.90 2qt6 n SER 143 Ca -0.02 -0.13 0.06 0.00 -0.26 0.00 0.00 58.87 58.52 2qt6 n SER 143 Cb 0.08 -0.26 0.15 0.00 -0.26 0.00 0.00 64.21 63.93 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 -1.26 0.87 -3.04 6.66 -2.24 -0.33 -4.80 114.28 110.14 2qt6 n THR 144 Ca 0.12 -0.93 -0.40 0.00 -2.27 0.00 0.00 64.05 60.57 2qt6 n THR 144 Cb 0.18 0.60 -0.05 0.00 -2.10 0.00 0.00 70.33 68.96 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 -1.00 4.95 -0.23 2.28 1.01 -1.10 -0.68 120.40 125.62 2qt6 s VAL 145 Ca 0.24 1.48 0.02 0.00 0.00 0.00 0.00 61.98 63.71 2qt6 s VAL 145 Cb 0.13 -4.05 0.05 0.00 0.00 0.00 0.00 36.38 32.51 2qt6 s VAL 145 CO 0.17 0.30 -0.10 -0.63 0.00 0.00 0.00 175.10 174.84 2qt6 s ILE 146 N 0.46 1.83 0.02 2.22 1.01 0.32 -4.91 121.20 122.15 2qt6 s ILE 146 Ca 0.37 -1.29 -0.06 0.00 0.00 0.00 0.00 60.65 59.67 2qt6 s ILE 146 Cb -0.19 -1.95 -0.05 0.00 0.01 0.00 0.00 42.46 40.29 2qt6 s ILE 146 CO 0.19 0.05 0.27 0.42 0.00 0.00 0.00 174.94 175.88 2qt6 s THR 147 N 1.28 5.30 -0.15 2.92 -4.23 -1.26 -0.76 115.64 118.74 2qt6 s THR 147 Ca -0.05 0.14 -0.00 0.00 -1.18 0.00 0.00 61.69 60.61 2qt6 s THR 147 Cb -0.18 -3.57 -0.01 0.00 1.34 0.00 0.00 72.50 70.08 2qt6 s THR 147 CO -0.07 0.34 -0.14 -0.76 -0.54 0.00 0.00 174.62 173.45 2qt6 s LEU 148 N -1.83 2.57 -0.02 4.79 1.43 -0.09 -1.11 118.68 124.42 2qt6 s LEU 148 Ca 0.28 -0.42 0.00 0.00 -1.03 0.00 0.00 54.13 52.97 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 0.17 0.11 0.00 0.00 0.23 0.00 0.00 176.35 176.86 2qt6 s ALA 149 N 0.67 0.21 0.18 4.21 0.00 0.14 -0.38 121.76 126.78 2qt6 s ALA 149 Ca -0.07 0.13 -0.30 0.00 0.00 0.00 0.00 51.96 51.72 2qt6 s ALA 149 Cb -0.16 -0.22 -0.08 0.00 0.00 0.00 0.00 23.12 22.67 2qt6 s ALA 149 CO 0.02 -0.05 1.05 0.16 0.00 0.00 0.00 175.76 176.94 2qt6 s ASP 150 N 0.72 7.36 -0.04 0.00 -4.77 -1.26 -0.40 116.67 118.29 2qt6 s ASP 150 Ca -0.07 2.02 0.03 0.00 -3.30 0.00 0.00 52.55 51.24 2qt6 s ASP 150 Cb -0.10 -2.60 0.00 0.00 -1.09 0.00 0.00 42.92 39.13 2qt6 s ASP 150 CO -0.02 -0.13 -0.12 0.86 0.70 0.00 0.00 175.17 176.46 2qt6 s TRP 151 N -0.38 1.27 -0.05 2.11 -0.11 -0.35 -4.78 118.94 116.64 2qt6 s TRP 151 Ca 0.47 -0.35 0.06 0.00 1.22 0.00 0.00 56.10 57.50 2qt6 s TRP 151 Cb -0.28 -0.88 -0.02 0.00 -1.50 0.00 0.00 33.47 30.79 2qt6 s TRP 151 CO 0.34 -0.14 -0.22 0.71 -4.62 0.00 0.00 176.95 173.02 2qt6 s TYR 152 N 0.20 2.50 -0.11 5.86 1.51 -1.26 -0.48 117.35 125.57 2qt6 s TYR 152 Ca -0.05 -0.49 0.23 0.00 -1.01 0.00 0.00 57.07 55.76 2qt6 s TYR 152 Cb -0.10 -1.59 0.63 0.00 -0.11 0.00 0.00 41.96 40.78 2qt6 s TYR 152 CO 0.01 -0.06 1.70 0.45 -1.11 0.00 0.00 175.55 176.54 2qt6 h HIS 153 N 5.75 0.00 -3.57 2.71 3.86 -1.97 -3.43 115.15 118.50 2qt6 h HIS 153 Ca -0.38 0.00 -0.67 0.00 -1.16 0.00 0.00 60.37 58.16 2qt6 h HIS 153 Cb 1.16 0.00 -0.22 0.00 1.06 0.00 0.00 27.41 29.41 2qt6 h HIS 153 CO 0.44 0.19 -0.71 0.08 0.86 0.00 0.00 177.93 178.78 2qt6 s VAL 154 N -3.36 3.51 0.86 2.45 1.01 -1.26 -4.95 120.40 118.65 2qt6 s VAL 154 Ca 0.03 -0.53 -0.11 0.00 0.00 0.00 0.00 61.98 61.37 2qt6 s VAL 154 Cb 0.08 -2.46 0.11 0.00 0.00 0.00 0.00 36.38 34.12 2qt6 s VAL 154 CO 0.66 0.56 1.16 0.00 0.00 0.00 0.00 175.10 177.48 2qt6 s ALA 155 N -0.28 1.68 0.32 5.51 0.00 -1.26 -4.63 121.76 123.09 2qt6 s ALA 155 Ca 0.03 0.65 0.00 0.00 0.00 0.00 0.00 51.96 52.65 2qt6 s ALA 155 Cb -0.13 -3.45 0.53 0.00 0.00 0.00 0.00 23.12 20.07 2qt6 s ALA 155 CO 0.03 -2.49 1.97 0.00 0.00 0.00 0.00 175.76 175.27 2qt6 h ALA 156 N -1.44 1.48 -0.01 0.00 0.00 -1.93 -0.93 119.26 116.44 2qt6 h ALA 156 Ca -0.44 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.42 2qt6 h ALA 156 Cb 1.27 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.77 2qt6 h ALA 156 CO 0.44 0.46 -0.08 1.63 0.00 0.00 0.00 179.25 181.70 2qt6 n LYS 157 N -4.43 1.02 -0.04 0.00 4.76 -1.26 -4.04 118.16 114.17 2qt6 n LYS 157 Ca 0.09 -0.42 -0.00 0.00 -2.87 0.00 0.00 58.31 55.12 2qt6 n LYS 157 Cb 0.07 -1.49 -0.10 0.00 -1.84 0.00 0.00 35.03 31.67 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 -0.63 0.00 0.00 -0.35 4.77 -0.45 -5.04 117.00 115.31 2qt6 n LEU 158 Ca 0.17 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.15 2qt6 n LEU 158 Cb 0.28 0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.53 2qt6 n LEU 158 CO 0.21 0.16 0.00 0.61 -1.33 0.00 0.00 177.39 177.04 2qt6 n GLY 159 N 1.99 0.05 3.74 -0.72 0.00 -0.63 -4.93 105.19 104.69 2qt6 n GLY 159 Ca -0.12 -1.83 -0.36 0.00 0.00 0.00 0.00 46.02 43.71 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 -1.88 2.60 0.28 1.61 0.02 -1.26 -4.90 135.00 131.46 2qt6 s PRO 160 Ca 0.00 1.91 0.00 0.00 0.02 0.00 0.00 61.00 62.94 2qt6 s PRO 160 Cb 0.00 -1.87 0.53 0.00 0.02 0.00 0.00 34.50 33.18 2qt6 s PRO 160 CO 0.00 -1.52 1.83 -0.09 -0.33 0.00 0.00 177.00 176.89 2qt6 h ARG 161 N 0.46 0.92 -3.01 5.54 2.43 -1.96 -3.31 114.38 115.45 2qt6 h ARG 161 Ca -0.50 -0.06 -0.61 0.00 -0.81 0.00 0.00 59.98 58.00 2qt6 h ARG 161 Cb 1.31 -0.21 -0.40 0.00 -0.42 0.00 0.00 29.97 30.25 2qt6 h ARG 161 CO 0.53 0.61 -0.72 -0.06 -1.51 0.00 0.00 179.97 178.82 2qt6 s PHE 162 N -5.97 2.26 0.59 2.20 0.40 -1.26 -4.87 117.98 111.33 2qt6 s PHE 162 Ca -0.12 -2.62 -0.19 0.00 -0.60 0.00 0.00 56.93 53.40 2qt6 s PHE 162 Cb 0.22 -2.04 -0.05 0.00 0.51 0.00 0.00 43.02 41.65 2qt6 s PHE 162 CO 0.80 -0.75 0.96 -2.30 0.70 0.00 0.00 175.22 174.63 2qt6 n PRO 163 N 3.26 0.93 0.19 0.24 -0.02 -1.25 -4.89 135.00 133.46 2qt6 n PRO 163 Ca 0.11 0.36 0.13 0.00 -2.02 0.00 0.00 63.50 62.08 2qt6 n PRO 163 Cb 0.35 -2.15 0.33 0.00 -0.02 0.00 0.00 33.50 32.02 2qt6 n PRO 163 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 2qt6 h LYS 164 N 0.57 0.00 0.00 -0.52 6.56 -1.99 -3.48 116.57 117.71 2qt6 h LYS 164 Ca -0.48 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.11 2qt6 h LYS 164 Cb 1.36 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 33.02 2qt6 h LYS 164 CO 0.51 0.00 0.00 0.41 -2.06 0.00 0.00 179.45 178.31 2qt6 n GLY 165 N 0.91 1.17 3.90 3.86 0.00 -1.26 -4.00 105.19 109.78 2qt6 n GLY 165 Ca 0.04 -1.15 -0.28 0.00 0.00 0.00 0.00 46.02 44.63 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 -2.00 3.24 -0.15 4.61 0.00 -1.26 -4.95 121.76 121.25 2qt6 s ALA 166 Ca 0.00 -0.48 0.16 0.00 0.00 0.00 0.00 51.96 51.64 2qt6 s ALA 166 Cb 0.00 -2.74 0.01 0.00 0.00 0.00 0.00 23.12 20.39 2qt6 s ALA 166 CO 0.00 -0.68 1.27 -0.44 0.00 0.00 0.00 175.76 175.91 2qt6 h ASP 167 N -0.14 0.00 -5.04 0.00 3.32 -1.15 -3.38 116.42 110.04 2qt6 h ASP 167 Ca -0.46 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.53 2qt6 h ASP 167 Cb 1.23 0.00 -0.15 0.00 0.22 0.00 0.00 39.33 40.63 2qt6 h ASP 167 CO 0.62 0.50 -0.03 -0.94 -1.72 0.00 0.00 179.24 177.66 2qt6 s SER 168 N -6.24 -0.33 -0.22 6.45 1.04 -0.89 -4.35 113.70 109.17 2qt6 s SER 168 Ca 0.02 -0.03 -0.10 0.00 0.48 0.00 0.00 55.95 56.32 2qt6 s SER 168 Cb 0.08 0.47 -0.05 0.00 0.10 0.00 0.00 66.02 66.62 2qt6 s SER 168 CO 0.76 -0.75 0.14 -0.89 0.98 0.00 0.00 173.24 173.48 2qt6 s THR 169 N -2.89 5.33 -0.18 2.02 2.01 -1.26 -1.22 115.64 119.45 2qt6 s THR 169 Ca -0.03 0.17 -0.06 0.00 0.31 0.00 0.00 61.69 62.08 2qt6 s THR 169 Cb -0.00 -3.46 -0.03 0.00 0.01 0.00 0.00 72.50 69.02 2qt6 s THR 169 CO -0.05 0.40 0.02 -0.76 -0.69 0.00 0.00 174.62 173.54 2qt6 s LEU 170 N 0.68 3.49 -0.21 4.42 1.43 0.47 -4.25 118.68 124.72 2qt6 s LEU 170 Ca 0.07 -0.07 -0.04 0.00 -1.03 0.00 0.00 54.13 53.06 2qt6 s LEU 170 Cb -0.12 -1.88 -0.02 0.00 0.03 0.00 0.00 46.19 44.20 2qt6 s LEU 170 CO 0.01 0.13 -0.02 -0.63 0.23 0.00 0.00 176.35 176.07 2qt6 s ILE 171 N 0.62 3.67 -1.63 -0.59 1.01 -0.13 -0.68 121.20 123.47 2qt6 s ILE 171 Ca 0.01 -0.40 -0.14 0.00 0.00 0.00 0.00 60.65 60.11 2qt6 s ILE 171 Cb -0.14 -2.66 0.12 0.00 0.01 0.00 0.00 42.46 39.79 2qt6 s ILE 171 CO 0.02 0.43 0.74 0.59 0.00 0.00 0.00 174.94 176.71 2qt6 n ASN 172 N 4.46 -2.90 0.00 3.58 3.02 -0.27 -2.08 115.26 121.07 2qt6 n ASN 172 Ca -0.18 -0.98 0.00 0.00 -0.03 0.00 0.00 54.58 53.39 2qt6 n ASN 172 Cb 0.51 -2.95 0.00 0.00 -0.61 0.00 0.00 39.78 36.73 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 -1.56 0.84 3.06 7.41 0.00 -1.26 -4.93 105.19 108.76 2qt6 n GLY 173 Ca -0.01 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.84 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 2.13 0.00 0.99 1.43 -0.88 -4.65 118.68 117.70 2qt6 s LEU 174 Ca 0.00 -0.35 0.00 0.00 -1.03 0.00 0.00 54.13 52.75 2qt6 s LEU 174 Cb 0.00 -0.40 0.00 0.00 0.03 0.00 0.00 46.19 45.82 2qt6 s LEU 174 CO 0.00 -0.00 0.00 0.61 0.23 0.00 0.00 176.35 177.19 2qt6 n GLY 175 N 2.19 -0.90 3.50 -3.19 0.00 -1.15 -0.96 105.19 104.68 2qt6 n GLY 175 Ca -0.17 -1.01 -0.30 0.00 0.00 0.00 0.00 46.02 44.54 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 -2.00 1.97 0.41 1.61 0.52 -1.26 -4.06 118.95 116.13 2qt6 s ARG 176 Ca 0.00 -1.07 0.08 0.00 -0.52 0.00 0.00 55.73 54.22 2qt6 s ARG 176 Cb 0.00 -2.19 -0.00 0.00 0.52 0.00 0.00 34.95 33.28 2qt6 s ARG 176 CO 0.00 0.51 0.48 -1.54 0.02 0.00 0.00 175.30 174.77 2qt6 s SER 177 N -1.88 5.45 0.55 0.23 1.04 -1.26 -4.37 113.70 113.47 2qt6 s SER 177 Ca 0.17 -0.52 0.24 0.00 0.48 0.00 0.00 55.95 56.33 2qt6 s SER 177 Cb -0.11 -0.69 1.58 0.00 0.10 0.00 0.00 66.02 66.90 2qt6 s SER 177 CO 0.09 -0.67 2.19 0.71 0.98 0.00 0.00 173.24 176.54 2qt6 h THR 178 N 0.83 0.71 -0.01 2.02 1.35 -1.96 -0.70 112.91 115.15 2qt6 h THR 178 Ca -0.41 -0.08 0.00 0.00 -0.55 0.00 0.00 66.41 65.37 2qt6 h THR 178 Cb 1.27 1.05 0.00 0.00 -1.73 0.00 0.00 68.15 68.74 2qt6 h THR 178 CO 0.51 0.02 -0.26 -1.54 -0.25 0.00 0.00 175.52 174.00 2qt6 n SER 179 N -4.07 0.77 -3.08 5.36 3.41 -1.26 -4.29 113.62 110.45 2qt6 n SER 179 Ca -0.03 -0.66 -0.23 0.00 -0.26 0.00 0.00 58.87 57.70 2qt6 n SER 179 Cb 0.11 0.08 -0.04 0.00 -0.26 0.00 0.00 64.21 64.10 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 -0.90 1.42 0.54 6.66 -2.24 -0.27 -4.94 114.28 114.54 2qt6 n THR 180 Ca 0.11 -5.06 0.06 0.00 -2.27 0.00 0.00 64.05 56.89 2qt6 n THR 180 Cb 0.33 -0.88 0.30 0.00 -2.10 0.00 0.00 70.33 67.99 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 0.07 0.10 -0.23 -0.78 -0.04 -1.21 -1.82 135.00 131.08 2qt6 n PRO 181 Ca 0.28 0.22 0.06 0.00 -0.04 0.00 0.00 63.50 64.02 2qt6 n PRO 181 Cb 0.52 -1.50 0.17 0.00 -0.04 0.00 0.00 33.50 32.65 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 -1.39 1.51 -1.61 0.52 -2.24 -1.26 -4.85 114.28 104.96 2qt6 n THR 182 Ca 0.05 -1.41 -0.35 0.00 -2.27 0.00 0.00 64.05 60.07 2qt6 n THR 182 Cb 0.13 0.18 0.07 0.00 -2.10 0.00 0.00 70.33 68.61 2qt6 n THR 182 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2qt6 s ALA 183 N -1.78 2.27 0.30 6.98 0.00 -0.75 -4.91 121.76 123.86 2qt6 s ALA 183 Ca 0.27 0.87 -0.30 0.00 0.00 0.00 0.00 51.96 52.80 2qt6 s ALA 183 Cb 0.19 -3.45 -0.12 0.00 0.00 0.00 0.00 23.12 19.75 2qt6 s ALA 183 CO 0.10 -1.63 1.50 -0.25 0.00 0.00 0.00 175.76 175.48 2qt6 n ASP 184 N -2.41 3.45 -4.93 0.00 8.00 -1.26 -4.82 116.55 114.57 2qt6 n ASP 184 Ca 0.13 1.16 -0.29 0.00 0.71 0.00 0.00 54.79 56.50 2qt6 n ASP 184 Cb 0.50 -1.54 -0.04 0.00 -0.02 0.00 0.00 41.12 40.02 2qt6 n ASP 184 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2qt6 s LEU 185 N -0.60 4.34 0.46 0.64 1.43 -1.26 -3.68 118.68 120.01 2qt6 s LEU 185 Ca 0.63 0.25 -0.22 0.00 -1.03 0.00 0.00 54.13 53.75 2qt6 s LEU 185 Cb -0.54 -2.96 -0.08 0.00 0.03 0.00 0.00 46.19 42.64 2qt6 s LEU 185 CO 0.52 0.11 1.13 0.00 0.23 0.00 0.00 176.35 178.35 2qt6 s ALA 186 N -1.61 2.95 -0.13 4.21 0.00 -1.26 -4.91 121.76 121.01 2qt6 s ALA 186 Ca 0.35 0.85 0.03 0.00 0.00 0.00 0.00 51.96 53.20 2qt6 s ALA 186 Cb -0.12 -3.35 0.01 0.00 0.00 0.00 0.00 23.12 19.65 2qt6 s ALA 186 CO 0.28 -0.57 -0.23 0.08 0.00 0.00 0.00 175.76 175.33 2qt6 s VAL 187 N -1.63 2.05 -0.22 0.00 1.01 -1.26 -1.21 120.40 119.15 2qt6 s VAL 187 Ca 0.64 -0.99 -0.05 0.00 0.00 0.00 0.00 61.98 61.58 2qt6 s VAL 187 Cb -0.26 -1.80 -0.02 0.00 0.00 0.00 0.00 36.38 34.31 2qt6 s VAL 187 CO 0.31 0.55 -0.01 -0.63 0.00 0.00 0.00 175.10 175.32 2qt6 s ILE 188 N 0.65 3.69 -0.05 2.22 1.09 0.44 -4.98 121.20 124.25 2qt6 s ILE 188 Ca -0.11 -0.39 -0.13 0.00 -1.10 0.00 0.00 60.65 58.92 2qt6 s ILE 188 Cb -0.16 -2.68 -0.05 0.00 -1.06 0.00 0.00 42.46 38.50 2qt6 s ILE 188 CO 0.02 0.41 0.34 -0.44 -0.10 0.00 0.00 174.94 175.17 2qt6 s SER 189 N 1.37 6.68 0.08 3.58 0.01 -1.26 -0.97 113.70 123.18 2qt6 s SER 189 Ca 0.04 0.80 0.01 0.00 1.31 0.00 0.00 55.95 58.12 2qt6 s SER 189 Cb -0.14 -2.20 -0.04 0.00 0.21 0.00 0.00 66.02 63.84 2qt6 s SER 189 CO -0.00 0.32 -0.06 0.68 0.41 0.00 0.00 173.24 174.59 2qt6 s VAL 190 N -0.88 0.54 -0.14 3.43 -7.23 -0.96 -4.95 120.40 110.21 2qt6 s VAL 190 Ca 0.21 -1.81 -0.01 0.00 -1.81 0.00 0.00 61.98 58.56 2qt6 s VAL 190 Cb -0.15 -1.52 -0.02 0.00 0.56 0.00 0.00 36.38 35.25 2qt6 s VAL 190 CO 0.10 -0.86 -0.11 -0.89 -0.31 0.00 0.00 175.10 173.03 2qt6 s THR 191 N -3.48 3.20 0.27 5.32 2.01 -1.26 -0.34 115.64 121.36 2qt6 s THR 191 Ca 0.08 -0.60 -0.30 0.00 0.31 0.00 0.00 61.69 61.17 2qt6 s THR 191 Cb 0.04 -2.36 -0.12 0.00 0.01 0.00 0.00 72.50 70.07 2qt6 s THR 191 CO -0.06 0.51 1.49 1.17 -0.69 0.00 0.00 174.62 177.05 2qt6 n LYS 192 N 3.63 2.37 0.00 4.92 4.81 -1.26 -1.74 118.16 130.89 2qt6 n LYS 192 Ca -0.18 0.84 0.00 0.00 -0.87 0.00 0.00 58.31 58.10 2qt6 n LYS 192 Cb 0.52 -2.56 0.00 0.00 0.02 0.00 0.00 35.03 33.02 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 2.07 1.20 3.93 3.14 0.00 0.35 -5.04 105.19 110.83 2qt6 n GLY 193 Ca 0.10 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.80 3.49 -0.08 1.61 1.02 -0.71 -4.88 119.74 119.39 2qt6 s LYS 194 Ca 0.00 -0.42 -0.00 0.00 0.02 0.00 0.00 55.97 55.57 2qt6 s LYS 194 Cb 0.00 -2.90 -0.03 0.00 -0.52 0.00 0.00 37.83 34.38 2qt6 s LYS 194 CO 0.00 0.47 -0.06 1.03 -0.92 0.00 0.00 175.35 175.87 2qt6 s ARG 195 N -3.15 2.92 -0.05 1.68 0.52 -1.26 -1.10 118.95 118.52 2qt6 s ARG 195 Ca 0.37 -0.54 0.05 0.00 -0.52 0.00 0.00 55.73 55.10 2qt6 s ARG 195 Cb -0.11 -2.66 -0.01 0.00 0.52 0.00 0.00 34.95 32.69 2qt6 s ARG 195 CO 0.28 0.59 -0.21 0.71 0.02 0.00 0.00 175.30 176.70 2qt6 s TYR 196 N -0.61 2.03 -0.63 -0.53 1.51 0.20 -0.62 117.35 118.71 2qt6 s TYR 196 Ca 0.09 -0.57 -0.21 0.00 -1.01 0.00 0.00 57.07 55.37 2qt6 s TYR 196 Cb -0.12 -1.34 0.09 0.00 -0.11 0.00 0.00 41.96 40.48 2qt6 s TYR 196 CO 0.02 -0.17 0.83 0.50 -1.11 0.00 0.00 175.55 175.62 2qt6 s ARG 197 N -0.10 3.09 -0.03 -0.62 3.52 -0.12 -1.40 118.95 123.29 2qt6 s ARG 197 Ca -0.02 -1.11 -0.23 0.00 -0.13 0.00 0.00 55.73 54.24 2qt6 s ARG 197 Cb -0.12 -4.26 -0.04 0.00 -1.56 0.00 0.00 34.95 28.96 2qt6 s ARG 197 CO 0.02 -1.68 0.67 -0.06 -0.81 0.00 0.00 175.30 173.45 2qt6 s PHE 198 N 3.32 3.63 -0.39 5.12 0.40 0.03 -4.70 117.98 125.39 2qt6 s PHE 198 Ca 0.17 1.26 -0.06 0.00 -0.60 0.00 0.00 56.93 57.70 2qt6 s PHE 198 Cb -0.20 -2.74 0.08 0.00 0.51 0.00 0.00 43.02 40.67 2qt6 s PHE 198 CO 0.08 0.20 0.20 1.03 0.70 0.00 0.00 175.22 177.42 2qt6 s ARG 199 N 0.36 2.37 -0.25 0.44 0.52 0.14 -0.72 118.95 121.81 2qt6 s ARG 199 Ca 0.35 -1.55 -0.16 0.00 -0.52 0.00 0.00 55.73 53.85 2qt6 s ARG 199 Cb -0.18 -3.61 -0.03 0.00 0.52 0.00 0.00 34.95 31.64 2qt6 s ARG 199 CO 0.18 -0.94 0.43 -1.17 0.02 0.00 0.00 175.30 173.83 2qt6 s LEU 200 N 1.30 4.06 -0.17 2.53 2.96 0.93 -0.52 118.68 129.77 2qt6 s LEU 200 Ca 0.03 0.42 0.01 0.00 -0.22 0.00 0.00 54.13 54.37 2qt6 s LEU 200 Cb -0.22 -2.53 0.03 0.00 0.50 0.00 0.00 46.19 43.96 2qt6 s LEU 200 CO -0.01 -0.21 -0.15 -0.69 -1.32 0.00 0.00 176.35 173.98 2qt6 s VAL 201 N 2.03 1.75 -0.31 1.68 1.01 0.07 -1.14 120.40 125.48 2qt6 s VAL 201 Ca 0.18 -0.85 -0.26 0.00 0.00 0.00 0.00 61.98 61.05 2qt6 s VAL 201 Cb -0.16 -1.67 0.01 0.00 0.00 0.00 0.00 36.38 34.56 2qt6 s VAL 201 CO 0.09 0.39 0.92 -0.55 0.00 0.00 0.00 175.10 175.96 2qt6 s SER 202 N 1.39 6.79 -0.30 3.32 0.15 -0.52 -0.91 113.70 123.61 2qt6 s SER 202 Ca 0.03 0.83 0.09 0.00 0.70 0.00 0.00 55.95 57.60 2qt6 s SER 202 Cb -0.14 -2.47 0.68 0.00 -1.71 0.00 0.00 66.02 62.38 2qt6 s SER 202 CO -0.10 -0.74 1.72 0.18 1.20 0.00 0.00 173.24 175.49 2qt6 n LEU 203 N 6.52 5.78 -4.77 3.45 4.77 0.49 -2.96 117.00 130.29 2qt6 n LEU 203 Ca 0.08 -3.01 -0.40 0.00 -0.03 0.00 0.00 56.01 52.65 2qt6 n LEU 203 Cb 0.48 -0.73 -0.03 0.00 -2.33 0.00 0.00 43.42 40.81 2qt6 n LEU 203 CO 0.55 0.77 0.87 -0.55 -1.33 0.00 0.00 177.39 177.70 2qt6 s SER 204 N -0.87 6.89 0.33 -1.43 0.15 -1.25 -4.67 113.70 112.86 2qt6 s SER 204 Ca 0.50 2.43 0.25 0.00 0.70 0.00 0.00 55.95 59.84 2qt6 s SER 204 Cb 0.40 -2.63 0.64 0.00 -1.71 0.00 0.00 66.02 62.72 2qt6 s SER 204 CO 0.12 -0.42 1.71 0.00 1.20 0.00 0.00 173.24 175.85 2qt6 n ASP 206 N -2.67 0.00 -4.74 0.00 -0.08 -1.26 -0.61 116.55 107.19 2qt6 n ASP 206 Ca 0.04 0.00 -0.35 0.00 -1.51 0.00 0.00 54.79 52.98 2qt6 n ASP 206 Cb 0.46 0.39 0.07 0.00 2.34 0.00 0.00 41.12 44.38 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 -0.83 2.47 0.35 -0.67 0.04 -1.26 -4.56 135.00 130.54 2qt6 s PRO 207 Ca 0.00 1.77 -0.02 0.00 0.04 0.00 0.00 61.00 62.80 2qt6 s PRO 207 Cb 0.00 -1.87 -0.04 0.00 0.04 0.00 0.00 34.50 32.63 2qt6 s PRO 207 CO 0.00 -1.58 0.59 0.54 0.04 0.00 0.00 177.00 176.58 2qt6 s ASN 208 N -1.90 6.32 -0.02 6.66 2.20 -1.26 -4.19 114.94 122.75 2qt6 s ASN 208 Ca 0.75 0.58 0.06 0.00 -0.94 0.00 0.00 52.86 53.31 2qt6 s ASN 208 Cb -0.29 -2.09 -0.01 0.00 -2.00 0.00 0.00 41.25 36.85 2qt6 s ASN 208 CO 0.41 -0.32 -0.19 -0.31 -2.94 0.00 0.00 177.10 173.75 2qt6 s TYR 209 N -2.33 1.75 -0.41 1.54 2.02 -0.37 -1.72 117.35 117.83 2qt6 s TYR 209 Ca 0.42 -0.37 -0.15 0.00 -0.37 0.00 0.00 57.07 56.60 2qt6 s TYR 209 Cb -0.10 -1.14 0.02 0.00 -0.40 0.00 0.00 41.96 40.34 2qt6 s TYR 209 CO 0.36 -0.06 0.30 0.99 -1.57 0.00 0.00 175.55 175.57 2qt6 s THR 210 N -0.35 5.26 -0.12 -0.71 2.01 -0.05 -0.01 115.64 121.67 2qt6 s THR 210 Ca 0.05 -0.65 -0.04 0.00 0.31 0.00 0.00 61.69 61.36 2qt6 s THR 210 Cb -0.08 -3.93 -0.03 0.00 0.01 0.00 0.00 72.50 68.46 2qt6 s THR 210 CO -0.00 -0.31 0.03 0.12 -0.69 0.00 0.00 174.62 173.77 2qt6 s PHE 211 N 1.69 3.22 0.20 4.92 5.36 0.89 -1.11 117.98 133.15 2qt6 s PHE 211 Ca 0.05 0.15 -0.19 0.00 -0.96 0.00 0.00 56.93 55.98 2qt6 s PHE 211 Cb -0.19 -1.89 0.03 0.00 -0.34 0.00 0.00 43.02 40.63 2qt6 s PHE 211 CO 0.10 0.37 0.56 -1.54 -1.46 0.00 0.00 175.22 173.25 2qt6 s SER 212 N -0.48 -0.30 -0.10 6.13 1.04 -0.48 -1.05 113.70 118.46 2qt6 s SER 212 Ca 0.09 -0.44 -0.00 0.00 0.48 0.00 0.00 55.95 56.07 2qt6 s SER 212 Cb -0.12 0.60 0.02 0.00 0.10 0.00 0.00 66.02 66.63 2qt6 s SER 212 CO 0.02 -1.08 -0.06 -0.63 0.98 0.00 0.00 173.24 172.47 2qt6 s ILE 213 N -3.87 0.85 0.24 -1.02 1.01 -1.26 -0.51 121.20 116.64 2qt6 s ILE 213 Ca 0.09 -0.19 -0.31 0.00 0.00 0.00 0.00 60.65 60.23 2qt6 s ILE 213 Cb -0.02 -0.90 -0.13 0.00 0.01 0.00 0.00 42.46 41.43 2qt6 s ILE 213 CO -0.03 0.33 1.43 0.47 0.00 0.00 0.00 174.94 177.15 2qt6 n ASP 214 N 4.89 2.87 0.00 3.58 8.00 -0.05 -1.81 116.55 134.03 2qt6 n ASP 214 Ca -0.12 1.14 0.00 0.00 0.71 0.00 0.00 54.79 56.52 2qt6 n ASP 214 Cb 0.50 -1.44 0.00 0.00 -0.02 0.00 0.00 41.12 40.16 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 2.24 -2.38 -4.05 -2.24 7.64 -1.26 -4.77 113.62 108.80 2qt6 n SER 215 Ca 0.12 0.00 -0.27 0.00 1.01 0.00 0.00 58.87 59.73 2qt6 n SER 215 Cb 0.32 -1.61 -0.17 0.00 -1.01 0.00 0.00 64.21 61.74 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 -2.00 1.78 0.56 1.43 3.76 -0.75 -4.93 115.29 115.14 2qt6 s HIS 216 Ca 0.00 -0.75 -0.13 0.00 -0.15 0.00 0.00 55.06 54.02 2qt6 s HIS 216 Cb 0.00 -1.29 -0.06 0.00 1.11 0.00 0.00 32.58 32.35 2qt6 s HIS 216 CO 0.00 -0.38 0.99 -0.65 -0.85 0.00 0.00 174.74 173.85 2qt6 s GLN 217 N 0.81 3.76 -0.16 1.40 -0.21 -1.26 -4.51 119.66 119.49 2qt6 s GLN 217 Ca -0.11 0.82 0.01 0.00 0.02 0.00 0.00 55.36 56.10 2qt6 s GLN 217 Cb -0.16 -2.13 0.02 0.00 1.00 0.00 0.00 33.01 31.75 2qt6 s GLN 217 CO 0.02 -0.40 -0.19 -0.51 -2.12 0.00 0.00 175.29 172.08 2qt6 s LEU 218 N -4.61 2.03 -0.46 2.90 1.43 0.01 -4.56 118.68 115.42 2qt6 s LEU 218 Ca 0.56 -0.60 -0.13 0.00 -1.03 0.00 0.00 54.13 52.93 2qt6 s LEU 218 Cb -0.10 -1.41 0.08 0.00 0.03 0.00 0.00 46.19 44.79 2qt6 s LEU 218 CO 0.43 0.01 0.35 -0.89 0.23 0.00 0.00 176.35 176.47 2qt6 s THR 219 N 1.21 4.86 -0.04 5.49 2.01 -0.57 -0.59 115.64 128.00 2qt6 s THR 219 Ca 0.02 -1.21 -0.30 0.00 0.31 0.00 0.00 61.69 60.51 2qt6 s THR 219 Cb -0.14 -3.94 -0.03 0.00 0.01 0.00 0.00 72.50 68.41 2qt6 s THR 219 CO -0.10 -0.57 1.06 -0.69 -0.69 0.00 0.00 174.62 173.63 2qt6 s VAL 220 N 1.56 4.62 0.00 3.82 1.01 0.50 0.09 120.40 132.01 2qt6 s VAL 220 Ca 0.04 1.89 0.00 0.00 0.00 0.00 0.00 61.98 63.91 2qt6 s VAL 220 Cb -0.24 -4.22 0.00 0.00 0.00 0.00 0.00 36.38 31.92 2qt6 s VAL 220 CO 0.05 0.07 0.24 2.30 0.00 0.00 0.00 175.10 177.76 2qt6 n ILE 221 N 4.27 0.00 -3.64 2.22 -5.35 -0.24 -1.85 119.36 114.78 2qt6 n ILE 221 Ca 0.08 -0.31 -0.14 0.00 -0.27 0.00 0.00 62.75 62.11 2qt6 n ILE 221 Cb 0.49 1.30 -0.07 0.00 -1.74 0.00 0.00 39.64 39.62 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 -0.13 0.81 -0.05 6.28 2.12 -1.20 -0.92 118.70 125.60 2qt6 s GLU 222 Ca 0.00 0.88 0.01 0.00 0.36 0.00 0.00 54.97 56.22 2qt6 s GLU 222 Cb 0.00 0.39 0.02 0.00 0.26 0.00 0.00 34.13 34.80 2qt6 s GLU 222 CO 0.00 -0.11 -0.05 0.00 -0.54 0.00 0.00 175.26 174.56 2qt6 s ALA 223 N 0.23 0.76 -1.46 6.30 0.00 -0.31 -1.67 121.76 125.62 2qt6 s ALA 223 Ca -0.01 -0.12 -0.00 0.00 0.00 0.00 0.00 51.96 51.82 2qt6 s ALA 223 Cb -0.04 -0.51 0.00 0.00 0.00 0.00 0.00 23.12 22.56 2qt6 s ALA 223 CO 0.02 -0.10 0.27 -0.25 0.00 0.00 0.00 175.76 175.69 2qt6 n ASP 224 N 4.25 0.13 0.00 0.00 9.92 0.46 -1.01 116.55 130.31 2qt6 n ASP 224 Ca -0.21 -1.11 0.00 0.00 -0.53 0.00 0.00 54.79 52.94 2qt6 n ASP 224 Cb 0.51 -2.52 0.00 0.00 -0.64 0.00 0.00 41.12 38.47 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 -2.21 2.34 3.38 0.44 0.00 -1.23 -4.52 105.19 103.39 2qt6 n GLY 225 Ca -0.32 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.36 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 -2.26 3.58 0.37 1.61 1.01 -0.18 -4.29 120.40 120.25 2qt6 s VAL 226 Ca 0.00 -0.44 -0.28 0.00 0.00 0.00 0.00 61.98 61.27 2qt6 s VAL 226 Cb 0.00 -2.61 -0.10 0.00 0.00 0.00 0.00 36.38 33.67 2qt6 s VAL 226 CO 0.00 0.44 1.40 -0.44 0.00 0.00 0.00 175.10 176.50 2qt6 s SER 227 N 1.14 6.42 0.33 3.32 0.01 -1.26 -1.17 113.70 122.48 2qt6 s SER 227 Ca 0.02 2.88 0.10 0.00 1.31 0.00 0.00 55.95 60.26 2qt6 s SER 227 Cb -0.15 -2.66 -0.06 0.00 0.21 0.00 0.00 66.02 63.37 2qt6 s SER 227 CO -0.00 -0.80 -0.11 0.42 0.41 0.00 0.00 173.24 173.15 2qt6 s THR 228 N -1.15 2.35 0.31 1.44 -4.23 -0.10 -1.12 115.64 113.15 2qt6 s THR 228 Ca 0.53 -2.24 -0.29 0.00 -1.18 0.00 0.00 61.69 58.51 2qt6 s THR 228 Cb -0.43 -2.57 -0.10 0.00 1.34 0.00 0.00 72.50 70.74 2qt6 s THR 228 CO 0.58 -0.26 1.40 -1.10 -0.54 0.00 0.00 174.62 174.70 2qt6 s GLN 229 N -3.59 4.27 0.29 3.99 -0.21 0.14 -4.41 119.66 120.14 2qt6 s GLN 229 Ca 0.32 2.33 -0.30 0.00 0.02 0.00 0.00 55.36 57.73 2qt6 s GLN 229 Cb 0.00 -3.06 -0.12 0.00 1.00 0.00 0.00 33.01 30.83 2qt6 s GLN 229 CO 0.16 -0.35 1.57 -2.30 -2.12 0.00 0.00 175.29 172.25 2qt6 n PRO 230 N 1.32 2.61 -4.02 2.91 -0.02 -1.26 -4.72 135.00 131.82 2qt6 n PRO 230 Ca 0.03 0.93 -0.21 0.00 -2.02 0.00 0.00 63.50 62.22 2qt6 n PRO 230 Cb 0.41 -2.69 -0.17 0.00 -0.02 0.00 0.00 33.50 31.03 2qt6 n PRO 230 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2qt6 s VAL 231 N -0.03 0.53 -0.19 -1.45 0.11 -0.77 -4.96 120.40 113.65 2qt6 s VAL 231 Ca 0.64 -0.06 -0.14 0.00 -2.93 0.00 0.00 61.98 59.49 2qt6 s VAL 231 Cb -0.52 -0.60 -0.05 0.00 -1.53 0.00 0.00 36.38 33.69 2qt6 s VAL 231 CO 0.49 0.25 0.29 -0.89 -3.33 0.00 0.00 175.10 171.91 2qt6 s THR 232 N 1.30 5.29 0.24 5.04 2.01 -1.26 -0.37 115.64 127.90 2qt6 s THR 232 Ca -0.05 0.52 0.01 0.00 0.31 0.00 0.00 61.69 62.48 2qt6 s THR 232 Cb -0.14 -3.63 -0.04 0.00 0.01 0.00 0.00 72.50 68.71 2qt6 s THR 232 CO -0.02 0.35 0.16 0.68 -0.69 0.00 0.00 174.62 175.09 2qt6 s VAL 233 N 0.79 0.09 -0.17 3.82 -7.23 0.24 -4.97 120.40 112.97 2qt6 s VAL 233 Ca 0.15 -2.00 0.08 0.00 -1.81 0.00 0.00 61.98 58.40 2qt6 s VAL 233 Cb -0.13 -2.51 -0.23 0.00 0.56 0.00 0.00 36.38 34.07 2qt6 s VAL 233 CO 0.05 0.00 0.16 0.47 -0.31 0.00 0.00 175.10 175.47 2qt6 n ASP 234 N -0.61 1.11 -4.09 4.85 8.00 0.18 -0.81 116.55 125.17 2qt6 n ASP 234 Ca 0.03 0.09 -0.08 0.00 0.71 0.00 0.00 54.79 55.53 2qt6 n ASP 234 Cb 0.65 0.06 -0.10 0.00 -0.02 0.00 0.00 41.12 41.71 2qt6 n ASP 234 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 2qt6 s SER 235 N -6.18 0.64 -0.05 -2.24 0.01 -0.55 -4.38 113.70 100.95 2qt6 s SER 235 Ca -0.18 -0.91 0.02 0.00 1.31 0.00 0.00 55.95 56.19 2qt6 s SER 235 Cb 0.07 0.15 0.01 0.00 0.21 0.00 0.00 66.02 66.47 2qt6 s SER 235 CO 0.75 -0.51 -0.09 -0.63 0.41 0.00 0.00 173.24 173.17 2qt6 s ILE 236 N -3.40 0.89 -0.30 1.44 1.01 -0.22 -1.10 121.20 119.53 2qt6 s ILE 236 Ca 0.04 -0.35 -0.13 0.00 0.00 0.00 0.00 60.65 60.22 2qt6 s ILE 236 Cb 0.04 -0.84 -0.04 0.00 0.01 0.00 0.00 42.46 41.64 2qt6 s ILE 236 CO -0.07 0.30 0.26 -1.58 0.00 0.00 0.00 174.94 173.85 2qt6 s GLN 237 N 0.68 3.82 -0.24 2.79 0.74 -1.26 -0.08 119.66 126.12 2qt6 s GLN 237 Ca -0.12 -0.32 -0.01 0.00 0.05 0.00 0.00 55.36 54.96 2qt6 s GLN 237 Cb -0.15 -3.71 0.03 0.00 1.10 0.00 0.00 33.01 30.28 2qt6 s GLN 237 CO 0.02 -0.30 -0.08 -1.50 -0.55 0.00 0.00 175.29 172.88 2qt6 s ILE 238 N 1.86 2.73 0.71 -2.34 2.07 0.99 -4.95 121.20 122.28 2qt6 s ILE 238 Ca 0.09 -1.04 -0.10 0.00 -1.41 0.00 0.00 60.65 58.18 2qt6 s ILE 238 Cb -0.16 -2.37 0.03 0.00 0.13 0.00 0.00 42.46 40.08 2qt6 s ILE 238 CO 0.11 0.23 1.08 -0.36 -1.91 0.00 0.00 174.94 174.09 2qt6 s PHE 239 N 1.31 3.21 0.09 3.50 0.08 -1.26 -1.24 117.98 123.66 2qt6 s PHE 239 Ca 0.00 0.88 -0.35 0.00 0.12 0.00 0.00 56.93 57.59 2qt6 s PHE 239 Cb -0.16 -3.12 -0.15 0.00 -0.57 0.00 0.00 43.02 39.02 2qt6 s PHE 239 CO -0.06 -1.27 1.55 0.00 -0.10 0.00 0.00 175.22 175.34 2qt6 n ALA 240 N -3.01 0.56 -0.47 5.36 0.00 -1.26 -1.51 120.51 120.18 2qt6 n ALA 240 Ca 0.07 0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.95 2qt6 n ALA 240 Cb 0.58 -2.28 0.00 0.00 0.00 0.00 0.00 19.45 17.75 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 3.62 0.00 -1.46 0.00 0.00 -1.16 -4.89 120.51 116.61 2qt6 n ALA 241 Ca 0.18 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.32 2qt6 n ALA 241 Cb 0.25 0.00 0.10 0.00 0.00 0.00 0.00 19.45 19.80 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 2.03 0.01 0.00 -0.21 -0.57 -4.81 119.66 116.07 2qt6 s GLN 242 Ca 0.00 0.75 0.00 0.00 0.02 0.00 0.00 55.36 56.13 2qt6 s GLN 242 Cb 0.00 -1.90 -0.01 0.00 1.00 0.00 0.00 33.01 32.10 2qt6 s GLN 242 CO 0.00 -1.69 -0.02 1.03 -2.12 0.00 0.00 175.29 172.49 2qt6 s ARG 243 N -5.08 0.20 0.03 2.91 3.00 -1.26 -1.44 118.95 117.30 2qt6 s ARG 243 Ca 0.61 -0.35 0.03 0.00 0.00 0.00 0.00 55.73 56.02 2qt6 s ARG 243 Cb -0.15 0.02 -0.02 0.00 0.00 0.00 0.00 34.95 34.80 2qt6 s ARG 243 CO 0.55 -0.02 -0.08 0.71 0.00 0.00 0.00 175.30 176.46 2qt6 s TYR 244 N -0.79 0.73 -0.11 -0.53 2.02 -0.29 -0.40 117.35 117.98 2qt6 s TYR 244 Ca -0.08 -0.37 -0.05 0.00 -0.37 0.00 0.00 57.07 56.20 2qt6 s TYR 244 Cb -0.05 -0.44 -0.04 0.00 -0.40 0.00 0.00 41.96 41.03 2qt6 s TYR 244 CO -0.00 -0.04 0.08 -1.12 -1.57 0.00 0.00 175.55 172.90 2qt6 s SER 245 N -1.14 5.91 0.05 2.29 0.01 -0.67 -0.05 113.70 120.10 2qt6 s SER 245 Ca -0.05 0.32 0.03 0.00 1.31 0.00 0.00 55.95 57.56 2qt6 s SER 245 Cb -0.08 -1.85 -0.03 0.00 0.21 0.00 0.00 66.02 64.28 2qt6 s SER 245 CO 0.00 0.37 -0.10 0.72 0.41 0.00 0.00 173.24 174.65 2qt6 s PHE 246 N -0.83 0.83 -0.12 2.43 -0.12 0.10 -1.07 117.98 119.19 2qt6 s PHE 246 Ca 0.13 -0.48 -0.18 0.00 -0.05 0.00 0.00 56.93 56.36 2qt6 s PHE 246 Cb -0.12 -0.49 -0.04 0.00 -0.63 0.00 0.00 43.02 41.74 2qt6 s PHE 246 CO 0.03 -0.04 0.46 0.08 -0.05 0.00 0.00 175.22 175.69 2qt6 s VAL 247 N -1.32 5.19 -0.15 -2.49 1.01 0.11 -0.79 120.40 121.96 2qt6 s VAL 247 Ca -0.07 0.91 -0.01 0.00 0.00 0.00 0.00 61.98 62.81 2qt6 s VAL 247 Cb -0.10 -3.79 -0.01 0.00 0.00 0.00 0.00 36.38 32.48 2qt6 s VAL 247 CO 0.01 0.34 -0.12 -0.22 0.00 0.00 0.00 175.10 175.11 2qt6 s LEU 248 N 0.54 2.68 -0.33 3.92 0.20 -0.49 -1.51 118.68 123.69 2qt6 s LEU 248 Ca 0.25 -0.38 -0.15 0.00 0.69 0.00 0.00 54.13 54.54 2qt6 s LEU 248 Cb -0.15 -1.62 -0.02 0.00 -0.43 0.00 0.00 46.19 43.98 2qt6 s LEU 248 CO 0.10 0.11 0.36 0.21 -0.29 0.00 0.00 176.35 176.84 2qt6 s ASN 249 N 0.68 6.19 -1.45 3.68 2.47 -1.26 -0.63 114.94 124.62 2qt6 s ASN 249 Ca -0.06 -0.17 -0.14 0.00 0.42 0.00 0.00 52.86 52.91 2qt6 s ASN 249 Cb -0.15 -2.20 0.05 0.00 -1.45 0.00 0.00 41.25 37.50 2qt6 s ASN 249 CO 0.02 -0.32 2.20 0.00 -3.72 0.00 0.00 177.10 175.28 2qt6 n ALA 250 N 5.38 5.49 -0.47 1.71 0.00 -0.26 -4.56 120.51 127.81 2qt6 n ALA 250 Ca -0.09 -3.90 0.06 0.00 0.00 0.00 0.00 53.44 49.51 2qt6 n ALA 250 Cb 0.50 -3.51 0.16 0.00 0.00 0.00 0.00 19.45 16.59 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 6.03 3.00 -4.16 0.00 6.94 -1.26 -0.50 115.26 125.32 2qt6 n ASN 251 Ca 0.51 -2.40 -0.20 0.00 -0.02 0.00 0.00 54.58 52.47 2qt6 n ASN 251 Cb 0.39 -0.30 0.10 0.00 -2.36 0.00 0.00 39.78 37.61 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 -0.14 -0.05 -1.63 -3.83 1.13 -1.26 -5.00 117.38 106.60 2qt6 n GLN 252 Ca 0.13 -2.30 -0.35 0.00 -1.94 0.00 0.00 57.00 52.54 2qt6 n GLN 252 Cb 0.56 -0.59 0.07 0.00 0.11 0.00 0.00 30.24 30.39 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 -4.51 4.55 -0.13 1.08 1.01 -1.26 -4.90 116.67 112.52 2qt6 s ASP 253 Ca 0.57 2.35 -0.29 0.00 0.71 0.00 0.00 52.55 55.89 2qt6 s ASP 253 Cb -0.03 -2.59 -0.06 0.00 1.01 0.00 0.00 42.92 41.25 2qt6 s ASP 253 CO 0.38 -2.02 2.07 -0.69 0.21 0.00 0.00 175.17 175.11 2qt6 s VAL 254 N -1.87 3.08 0.07 -1.27 1.01 -1.26 -4.83 120.40 115.33 2qt6 s VAL 254 Ca 0.75 0.09 -0.14 0.00 0.00 0.00 0.00 61.98 62.68 2qt6 s VAL 254 Cb -0.29 -3.09 0.05 0.00 0.00 0.00 0.00 36.38 33.05 2qt6 s VAL 254 CO 0.42 -0.04 0.64 -0.67 0.00 0.00 0.00 175.10 175.45 2qt6 n ASP 255 N 9.84 -0.92 -4.49 3.32 -0.08 -1.26 -4.85 116.55 118.11 2qt6 n ASP 255 Ca 0.25 -1.42 -0.34 0.00 -1.51 0.00 0.00 54.79 51.77 2qt6 n ASP 255 Cb 0.44 1.48 -0.12 0.00 2.34 0.00 0.00 41.12 45.26 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 -2.49 4.64 -0.02 1.67 0.01 -1.26 -1.76 114.94 115.73 2qt6 s ASN 256 Ca 0.15 -0.14 0.05 0.00 -0.71 0.00 0.00 52.86 52.20 2qt6 s ASN 256 Cb -0.01 -1.66 -0.01 0.00 0.41 0.00 0.00 41.25 39.98 2qt6 s ASN 256 CO 0.02 0.20 -0.17 -0.31 -1.51 0.00 0.00 177.10 175.34 2qt6 s TYR 257 N 0.17 1.54 0.20 2.20 1.51 -0.17 -4.38 117.35 118.42 2qt6 s TYR 257 Ca -0.03 -0.33 -0.30 0.00 -1.01 0.00 0.00 57.07 55.40 2qt6 s TYR 257 Cb -0.14 -1.00 -0.08 0.00 -0.11 0.00 0.00 41.96 40.62 2qt6 s TYR 257 CO 0.03 -0.06 1.22 -1.58 -1.11 0.00 0.00 175.55 174.05 2qt6 s TRP 258 N -0.28 3.39 -0.23 2.71 0.23 -1.26 -0.38 118.94 123.12 2qt6 s TRP 258 Ca 0.04 1.41 -0.10 0.00 -2.03 0.00 0.00 56.10 55.41 2qt6 s TRP 258 Cb -0.08 -3.46 -0.05 0.00 0.03 0.00 0.00 33.47 29.91 2qt6 s TRP 258 CO 0.00 -1.31 0.15 0.42 0.96 0.00 0.00 176.95 177.17 2qt6 s ILE 259 N -0.16 5.35 -0.07 2.03 1.01 -0.15 -0.87 121.20 128.34 2qt6 s ILE 259 Ca 0.53 0.17 0.05 0.00 0.00 0.00 0.00 60.65 61.40 2qt6 s ILE 259 Cb -0.34 -3.49 -0.01 0.00 0.01 0.00 0.00 42.46 38.63 2qt6 s ILE 259 CO 0.38 0.36 -0.21 -0.13 0.00 0.00 0.00 174.94 175.34 2qt6 s ARG 260 N 0.96 2.67 -0.35 2.79 0.52 0.33 -0.75 118.95 125.13 2qt6 s ARG 260 Ca 0.07 -0.83 -0.01 0.00 -0.52 0.00 0.00 55.73 54.45 2qt6 s ARG 260 Cb -0.13 -2.28 0.13 0.00 0.52 0.00 0.00 34.95 33.18 2qt6 s ARG 260 CO 0.04 0.41 0.19 0.00 0.02 0.00 0.00 175.30 175.95 2qt6 s ALA 261 N -0.20 1.15 -0.33 2.13 0.00 0.04 -1.39 121.76 123.16 2qt6 s ALA 261 Ca -0.02 -1.81 -0.18 0.00 0.00 0.00 0.00 51.96 49.95 2qt6 s ALA 261 Cb -0.13 -1.61 -0.01 0.00 0.00 0.00 0.00 23.12 21.36 2qt6 s ALA 261 CO 0.03 -1.96 0.54 1.21 0.00 0.00 0.00 175.76 175.58 2qt6 s ASN 262 N 1.22 6.37 0.78 0.00 2.47 -0.27 -4.73 114.94 120.77 2qt6 s ASN 262 Ca 0.15 0.17 -0.11 0.00 0.42 0.00 0.00 52.86 53.49 2qt6 s ASN 262 Cb -0.21 -2.28 0.06 0.00 -1.45 0.00 0.00 41.25 37.36 2qt6 s ASN 262 CO -0.10 -0.45 1.08 -2.16 -3.72 0.00 0.00 177.10 171.76 2qt6 s PRO 263 N 2.44 2.26 0.46 0.43 0.04 -1.26 -0.87 135.00 138.50 2qt6 s PRO 263 Ca 0.21 0.85 0.29 0.00 0.04 0.00 0.00 61.00 62.38 2qt6 s PRO 263 Cb -0.15 -1.92 0.96 0.00 0.04 0.00 0.00 34.50 33.43 2qt6 s PRO 263 CO 0.12 -1.55 1.82 -2.95 0.04 0.00 0.00 177.00 174.49 2qt6 h ASN 264 N -1.04 0.00 -5.07 6.66 -1.07 -1.70 -3.46 115.58 109.91 2qt6 h ASN 264 Ca -0.46 0.00 0.02 0.00 0.07 0.00 0.00 56.30 55.93 2qt6 h ASN 264 Cb 1.25 0.00 -0.05 0.00 -2.07 0.00 0.00 38.32 37.45 2qt6 h ASN 264 CO 0.57 0.00 0.16 0.72 0.07 0.00 0.00 177.43 178.94 2qt6 s PHE 265 N -3.44 0.02 0.00 4.14 -0.71 -1.26 -5.07 117.98 111.66 2qt6 s PHE 265 Ca 0.04 -0.50 0.00 0.00 -1.04 0.00 0.00 56.93 55.43 2qt6 s PHE 265 Cb 0.08 0.61 0.00 0.00 -1.21 0.00 0.00 43.02 42.50 2qt6 s PHE 265 CO 0.57 -1.26 0.00 0.41 -1.34 0.00 0.00 175.22 173.60 2qt6 n GLY 266 N -0.46 0.97 3.57 1.99 0.00 -1.26 -4.63 105.19 105.37 2qt6 n GLY 266 Ca -0.04 -1.62 -0.43 0.00 0.00 0.00 0.00 46.02 43.93 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 4.56 0.32 2.61 2.01 -1.26 -5.01 115.64 118.87 2qt6 s THR 267 Ca 0.00 0.76 0.07 0.00 0.31 0.00 0.00 61.69 62.83 2qt6 s THR 267 Cb 0.00 -4.36 -0.02 0.00 0.01 0.00 0.00 72.50 68.13 2qt6 s THR 267 CO 0.00 -0.71 0.36 0.42 -0.69 0.00 0.00 174.62 174.00 2qt6 s THR 268 N 3.52 3.98 0.00 -0.82 -4.23 -1.26 -4.67 115.64 112.15 2qt6 s THR 268 Ca 0.35 -1.19 0.00 0.00 -1.18 0.00 0.00 61.69 59.66 2qt6 s THR 268 Cb -0.11 -3.35 0.00 0.00 1.34 0.00 0.00 72.50 70.38 2qt6 s THR 268 CO 0.23 -0.20 0.00 0.61 -0.54 0.00 0.00 174.62 174.72 2qt6 n GLY 269 N -1.46 -1.75 0.71 3.99 0.00 -1.26 -4.75 105.19 100.67 2qt6 n GLY 269 Ca -0.02 -1.41 0.02 0.00 0.00 0.00 0.00 46.02 44.61 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 0.00 0.00 -1.73 1.61 3.72 -1.26 -4.52 117.46 115.28 2qt6 n PHE 270 Ca 0.00 -0.29 -0.42 0.00 -0.05 0.00 0.00 57.45 56.69 2qt6 n PHE 270 Cb 0.00 -0.09 -0.02 0.00 -0.94 0.00 0.00 39.48 38.42 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 -0.07 2.72 -1.46 4.37 0.00 -1.26 -1.02 120.51 123.79 2qt6 n ALA 271 Ca 0.04 0.39 -0.16 0.00 0.00 0.00 0.00 53.44 53.71 2qt6 n ALA 271 Cb 0.81 -2.50 -0.07 0.00 0.00 0.00 0.00 19.45 17.69 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 3.08 -5.49 0.00 0.00 8.00 -1.26 -2.48 116.55 118.39 2qt6 n ASP 272 Ca 0.12 0.39 0.00 0.00 0.71 0.00 0.00 54.79 56.02 2qt6 n ASP 272 Cb 0.36 -4.47 0.00 0.00 -0.02 0.00 0.00 41.12 36.99 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 -0.08 0.48 3.71 0.44 0.00 -0.19 -4.83 105.19 104.72 2qt6 n GLY 273 Ca -0.16 -0.65 -0.32 0.00 0.00 0.00 0.00 46.02 44.90 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 2.47 -1.48 1.61 -7.23 -1.04 -3.50 120.40 109.23 2qt6 s VAL 274 Ca 0.00 0.17 -0.03 0.00 -1.81 0.00 0.00 61.98 60.31 2qt6 s VAL 274 Cb 0.00 -2.42 0.01 0.00 0.56 0.00 0.00 36.38 34.54 2qt6 s VAL 274 CO 0.00 -0.18 0.26 0.59 -0.31 0.00 0.00 175.10 175.45 2qt6 n ASN 275 N -3.74 -5.22 -4.00 4.85 3.02 -1.26 -4.42 115.26 104.48 2qt6 n ASN 275 Ca 0.11 -0.10 -0.08 0.00 -0.03 0.00 0.00 54.58 54.48 2qt6 n ASN 275 Cb 0.52 -4.31 -0.10 0.00 -0.61 0.00 0.00 39.78 35.27 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 -2.34 0.31 0.21 6.41 0.01 -1.23 -0.78 113.70 116.28 2qt6 s SER 276 Ca 0.15 -0.67 0.05 0.00 1.31 0.00 0.00 55.95 56.79 2qt6 s SER 276 Cb -0.07 0.16 -0.02 0.00 0.21 0.00 0.00 66.02 66.30 2qt6 s SER 276 CO 0.19 -0.44 0.18 0.00 0.41 0.00 0.00 173.24 173.57 2qt6 n ALA 277 N 0.94 0.44 -3.81 1.44 0.00 0.07 -4.68 120.51 114.91 2qt6 n ALA 277 Ca -0.20 -1.21 -0.31 0.00 0.00 0.00 0.00 53.44 51.73 2qt6 n ALA 277 Cb 0.58 0.98 -0.16 0.00 0.00 0.00 0.00 19.45 20.84 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 -2.84 1.81 -0.40 0.00 1.01 -0.35 -0.97 121.20 119.46 2qt6 s ILE 278 Ca 0.25 -0.81 -0.21 0.00 0.00 0.00 0.00 60.65 59.88 2qt6 s ILE 278 Cb 0.01 -1.64 0.01 0.00 0.01 0.00 0.00 42.46 40.86 2qt6 s ILE 278 CO 0.17 0.50 0.65 -0.22 0.00 0.00 0.00 174.94 176.04 2qt6 s LEU 279 N 1.07 4.37 -0.23 2.97 2.96 0.49 -0.42 118.68 129.89 2qt6 s LEU 279 Ca -0.03 -0.10 -0.02 0.00 -0.22 0.00 0.00 54.13 53.77 2qt6 s LEU 279 Cb -0.14 -2.76 0.02 0.00 0.50 0.00 0.00 46.19 43.80 2qt6 s LEU 279 CO -0.05 -0.70 -0.08 -0.60 -1.32 0.00 0.00 176.35 173.60 2qt6 s ARG 280 N 2.79 3.02 0.38 1.98 3.52 -0.15 -0.99 118.95 129.50 2qt6 s ARG 280 Ca 0.24 -0.85 -0.26 0.00 -0.13 0.00 0.00 55.73 54.73 2qt6 s ARG 280 Cb -0.14 -2.93 -0.09 0.00 -1.56 0.00 0.00 34.95 30.24 2qt6 s ARG 280 CO 0.17 -0.31 1.13 0.71 -0.81 0.00 0.00 175.30 176.19 2qt6 s TYR 281 N 1.36 3.18 0.27 5.12 1.51 -0.72 -2.26 117.35 125.82 2qt6 s TYR 281 Ca 0.03 1.59 -0.30 0.00 -1.01 0.00 0.00 57.07 57.38 2qt6 s TYR 281 Cb -0.15 -3.32 -0.13 0.00 -0.11 0.00 0.00 41.96 38.24 2qt6 s TYR 281 CO -0.06 -1.06 1.28 -0.25 -1.11 0.00 0.00 175.55 174.35 2qt6 n ASP 282 N 0.21 2.36 0.00 2.29 10.43 0.54 -1.58 116.55 130.81 2qt6 n ASP 282 Ca 0.04 1.17 0.00 0.00 2.57 0.00 0.00 54.79 58.56 2qt6 n ASP 282 Cb 0.47 -1.40 0.00 0.00 1.84 0.00 0.00 41.12 42.03 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 1.60 0.00 -4.84 -2.24 10.43 -1.26 -4.82 116.55 115.42 2qt6 n ASP 283 Ca 0.10 0.00 -0.32 0.00 2.57 0.00 0.00 54.79 57.14 2qt6 n ASP 283 Cb 0.32 0.00 -0.02 0.00 1.84 0.00 0.00 41.12 43.26 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 -3.06 3.02 0.65 2.24 0.00 -0.61 -5.00 121.76 119.00 2qt6 s ALA 284 Ca 0.00 0.17 -0.15 0.00 0.00 0.00 0.00 51.96 51.98 2qt6 s ALA 284 Cb 0.00 -3.13 -0.01 0.00 0.00 0.00 0.00 23.12 19.98 2qt6 s ALA 284 CO 0.00 -0.39 1.11 -0.51 0.00 0.00 0.00 175.76 175.97 2qt6 s ASP 285 N -3.20 5.18 -1.41 0.00 -0.00 -1.26 -4.89 116.67 111.09 2qt6 s ASP 285 Ca 0.59 2.00 -0.10 0.00 -0.00 0.00 0.00 52.55 55.04 2qt6 s ASP 285 Cb -0.11 -2.55 0.07 0.00 -0.00 0.00 0.00 42.92 40.33 2qt6 s ASP 285 CO 0.36 -1.58 2.32 -0.81 -0.00 0.00 0.00 175.17 175.45 2qt6 n PRO 286 N -2.33 3.68 -4.56 8.23 -0.04 -1.26 -4.90 135.00 133.81 2qt6 n PRO 286 Ca 0.10 -3.00 -0.26 0.00 -0.04 0.00 0.00 63.50 60.30 2qt6 n PRO 286 Cb 0.52 -2.92 -0.11 0.00 -0.04 0.00 0.00 33.50 30.95 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 1.10 2.07 0.49 0.52 -7.23 -1.26 -5.13 120.40 110.96 2qt6 s VAL 287 Ca 0.51 -2.11 -0.22 0.00 -1.81 0.00 0.00 61.98 58.36 2qt6 s VAL 287 Cb 0.15 -2.79 -0.07 0.00 0.56 0.00 0.00 36.38 34.23 2qt6 s VAL 287 CO -0.06 -0.12 1.16 -1.61 -0.31 0.00 0.00 175.10 174.17 2qt6 s GLU 288 N -3.67 3.61 0.84 4.82 2.02 -1.26 -4.90 118.70 120.17 2qt6 s GLU 288 Ca 0.33 1.74 -0.12 0.00 0.02 0.00 0.00 54.97 56.95 2qt6 s GLU 288 Cb 0.06 -2.28 0.10 0.00 0.10 0.00 0.00 34.13 32.11 2qt6 s GLU 288 CO 0.17 -0.66 1.18 -2.14 0.02 0.00 0.00 175.26 173.83 2qt6 s PRO 289 N -2.88 1.47 -0.08 0.39 0.02 -1.26 -4.96 135.00 127.71 2qt6 s PRO 289 Ca 0.67 1.67 0.12 0.00 0.02 0.00 0.00 61.00 63.48 2qt6 s PRO 289 Cb -0.28 -1.77 0.19 0.00 0.02 0.00 0.00 34.50 32.67 2qt6 s PRO 289 CO 0.33 -2.32 1.10 1.33 -0.33 0.00 0.00 177.00 177.11 2qt6 n VAL 290 N -3.58 1.13 -1.52 3.83 0.24 -1.26 -4.95 118.33 112.22 2qt6 n VAL 290 Ca 0.13 -1.43 -0.30 0.00 -2.04 0.00 0.00 64.34 60.69 2qt6 n VAL 290 Cb 0.51 0.08 0.09 0.00 -1.47 0.00 0.00 33.84 33.05 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 -1.72 3.16 0.17 3.34 -4.23 -1.26 -5.08 115.64 110.02 2qt6 s THR 291 Ca 0.21 0.38 0.09 0.00 -1.18 0.00 0.00 61.69 61.18 2qt6 s THR 291 Cb 0.19 -3.09 -0.04 0.00 1.34 0.00 0.00 72.50 70.89 2qt6 s THR 291 CO 0.01 -0.49 -0.12 0.20 -0.54 0.00 0.00 174.62 173.67 2qt6 s ASN 292 N -3.84 4.12 0.13 3.99 0.01 -1.26 -4.85 114.94 113.25 2qt6 s ASN 292 Ca 0.61 -0.61 -0.30 0.00 -0.71 0.00 0.00 52.86 51.85 2qt6 s ASN 292 Cb -0.15 -0.65 -0.07 0.00 0.41 0.00 0.00 41.25 40.79 2qt6 s ASN 292 CO 0.55 0.11 1.16 -1.58 -1.51 0.00 0.00 177.10 175.83 2qt6 s GLN 293 N -2.73 4.51 -0.00 -0.60 0.74 -1.26 -4.49 119.66 115.82 2qt6 s GLN 293 Ca 0.24 1.77 0.02 0.00 0.05 0.00 0.00 55.36 57.43 2qt6 s GLN 293 Cb -0.09 -3.30 -0.03 0.00 1.10 0.00 0.00 33.01 30.70 2qt6 s GLN 293 CO 0.14 -0.09 0.04 0.25 -0.55 0.00 0.00 175.29 175.08 2qt6 n THR 294 N 3.00 0.01 -1.33 -0.34 -2.24 -1.26 -5.06 114.28 107.06 2qt6 n THR 294 Ca 0.05 -0.04 -0.44 0.00 -2.27 0.00 0.00 64.05 61.35 2qt6 n THR 294 Cb 0.46 0.36 -0.02 0.00 -2.10 0.00 0.00 70.33 69.03 2qt6 n THR 294 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2qt6 n GLY 295 N 2.43 -2.18 0.00 3.38 0.00 -1.26 -4.96 105.19 102.61 2qt6 n GLY 295 Ca -0.00 0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.18 2qt6 n GLY 295 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2qt6 n THR 296 N -0.48 0.00 -3.80 2.61 5.66 -1.26 -5.03 114.28 111.98 2qt6 n THR 296 Ca 0.14 -0.28 -0.37 0.00 -3.05 0.00 0.00 64.05 60.49 2qt6 n THR 296 Cb 0.31 0.88 -0.13 0.00 -1.55 0.00 0.00 70.33 69.84 2qt6 n THR 296 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 2qt6 s THR 297 N -0.83 3.63 -0.15 1.09 2.01 -1.26 -5.00 115.64 115.13 2qt6 s THR 297 Ca 0.00 -0.95 -0.15 0.00 0.31 0.00 0.00 61.69 60.89 2qt6 s THR 297 Cb 0.00 -2.95 -0.04 0.00 0.01 0.00 0.00 72.50 69.52 2qt6 s THR 297 CO 0.00 -0.00 0.35 -0.22 -0.69 0.00 0.00 174.62 174.06 2qt6 s LEU 298 N 1.42 4.25 0.18 4.42 2.96 -1.26 -0.65 118.68 130.00 2qt6 s LEU 298 Ca 0.00 0.60 -0.33 0.00 -0.22 0.00 0.00 54.13 54.18 2qt6 s LEU 298 Cb -0.18 -2.48 -0.14 0.00 0.50 0.00 0.00 46.19 43.89 2qt6 s LEU 298 CO 0.01 0.06 1.43 -0.11 -1.32 0.00 0.00 176.35 176.42 2qt6 n LEU 299 N 3.65 2.71 -4.84 -0.68 7.94 -0.26 -4.96 117.00 120.56 2qt6 n LEU 299 Ca -0.10 1.12 -0.37 0.00 -1.11 0.00 0.00 56.01 55.55 2qt6 n LEU 299 Cb 0.52 -1.37 -0.06 0.00 0.53 0.00 0.00 43.42 43.03 2qt6 n LEU 299 CO 0.41 -0.59 -0.17 -0.76 -1.11 0.00 0.00 177.39 175.17 2qt6 s LEU 300 N 0.51 4.34 0.51 -1.96 1.43 -1.26 -4.71 118.68 117.53 2qt6 s LEU 300 Ca 0.75 0.41 0.18 0.00 -1.03 0.00 0.00 54.13 54.44 2qt6 s LEU 300 Cb -0.73 -2.07 1.27 0.00 0.03 0.00 0.00 46.19 44.69 2qt6 s LEU 300 CO 0.45 0.36 2.12 -0.08 0.23 0.00 0.00 176.35 179.43 2qt6 h GLU 301 N 5.35 0.00 0.00 1.70 4.81 -1.94 -0.79 114.58 123.71 2qt6 h GLU 301 Ca -0.52 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.71 2qt6 h GLU 301 Cb 1.21 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.59 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 -4.37 1.09 0.99 0.32 -2.24 -1.26 -1.65 114.28 107.16 2qt6 n THR 302 Ca -0.03 0.28 0.12 0.00 -2.27 0.00 0.00 64.05 62.16 2qt6 n THR 302 Cb 0.14 -1.09 0.20 0.00 -2.10 0.00 0.00 70.33 67.48 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 -1.62 2.77 -4.71 3.42 8.00 -0.30 -4.86 116.55 119.26 2qt6 n ASP 303 Ca 0.03 -1.91 -0.39 0.00 0.71 0.00 0.00 54.79 53.23 2qt6 n ASP 303 Cb 0.16 -0.04 -0.05 0.00 -0.02 0.00 0.00 41.12 41.16 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 -1.90 4.28 -0.00 0.64 1.43 -0.66 -4.91 118.68 117.56 2qt6 s LEU 304 Ca 0.31 1.07 -0.01 0.00 -1.03 0.00 0.00 54.13 54.47 2qt6 s LEU 304 Cb 0.21 -2.99 -0.00 0.00 0.03 0.00 0.00 46.19 43.43 2qt6 s LEU 304 CO 0.31 -0.12 0.02 -1.00 0.23 0.00 0.00 176.35 175.78 2qt6 s HIS 305 N 0.95 0.06 0.50 0.29 3.76 -1.26 -2.65 115.29 116.94 2qt6 s HIS 305 Ca 0.34 -0.12 -0.22 0.00 -0.15 0.00 0.00 55.06 54.91 2qt6 s HIS 305 Cb -0.17 -0.05 -0.06 0.00 1.11 0.00 0.00 32.58 33.41 2qt6 s HIS 305 CO 0.15 -0.09 1.28 -2.14 -0.85 0.00 0.00 174.74 173.10 2qt6 s PRO 306 N -0.53 3.43 0.23 8.40 0.02 -1.26 -0.68 135.00 144.60 2qt6 s PRO 306 Ca -0.06 2.06 -0.06 0.00 0.02 0.00 0.00 61.00 62.95 2qt6 s PRO 306 Cb -0.04 -2.34 0.22 0.00 0.02 0.00 0.00 34.50 32.36 2qt6 s PRO 306 CO -0.00 -0.91 1.83 1.25 -0.33 0.00 0.00 177.00 178.84 2qt6 h LEU 307 N 1.76 1.09 -9.54 -5.54 5.85 -1.33 -3.38 115.31 104.22 2qt6 h LEU 307 Ca -0.50 -0.13 -0.65 0.00 0.84 0.00 0.00 57.88 57.44 2qt6 h LEU 307 Cb 1.28 -0.28 -0.11 0.00 0.37 0.00 0.00 40.66 41.92 2qt6 h LEU 307 CO 0.59 0.91 -0.63 0.42 -0.34 0.00 0.00 178.44 179.39 2qt6 s THR 308 N -5.70 4.29 0.10 1.05 -4.23 -1.26 -4.88 115.64 105.01 2qt6 s THR 308 Ca -0.12 -0.84 -0.31 0.00 -1.18 0.00 0.00 61.69 59.24 2qt6 s THR 308 Cb 0.16 -3.04 -0.09 0.00 1.34 0.00 0.00 72.50 70.87 2qt6 s THR 308 CO 0.83 0.15 1.68 -0.44 -0.54 0.00 0.00 174.62 176.30 2qt6 s SER 309 N -2.26 6.55 -0.47 3.99 0.01 -1.26 -4.95 113.70 115.31 2qt6 s SER 309 Ca 0.27 2.58 0.03 0.00 1.31 0.00 0.00 55.95 60.14 2qt6 s SER 309 Cb -0.12 -2.57 0.15 0.00 0.21 0.00 0.00 66.02 63.69 2qt6 s SER 309 CO 0.19 -0.91 0.29 -0.04 0.41 0.00 0.00 173.24 173.19 2qt6 s MET 310 N 2.36 1.37 0.61 12.44 -1.94 -1.26 -5.12 119.30 127.75 2qt6 s MET 310 Ca 0.75 -2.20 -0.19 0.00 -1.71 0.00 0.00 55.69 52.34 2qt6 s MET 310 Cb -0.42 -2.29 -0.03 0.00 2.01 0.00 0.00 34.83 34.10 2qt6 s MET 310 CO 0.33 -1.22 1.33 -2.30 -0.01 0.00 0.00 175.02 173.14 2qt6 n PRO 311 N 3.21 1.35 -2.80 2.03 -0.02 -1.26 -4.85 135.00 132.65 2qt6 n PRO 311 Ca 0.14 0.51 -0.42 0.00 -2.02 0.00 0.00 63.50 61.72 2qt6 n PRO 311 Cb 0.37 -2.56 -0.03 0.00 -0.02 0.00 0.00 33.50 31.26 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 -1.34 4.82 0.46 -1.45 1.01 -1.26 -5.03 120.40 117.61 2qt6 s VAL 312 Ca 0.79 1.79 -0.25 0.00 0.00 0.00 0.00 61.98 64.31 2qt6 s VAL 312 Cb -0.39 -4.21 -0.08 0.00 0.00 0.00 0.00 36.38 31.70 2qt6 s VAL 312 CO 0.44 -0.02 1.36 -2.65 0.00 0.00 0.00 175.10 174.22 2qt6 n PRO 313 N 5.45 2.03 0.00 2.72 -0.02 -1.26 -4.86 135.00 139.06 2qt6 n PRO 313 Ca 0.07 0.73 0.00 0.00 -2.02 0.00 0.00 63.50 62.28 2qt6 n PRO 313 Cb 0.48 -2.54 0.00 0.00 -0.02 0.00 0.00 33.50 31.43 2qt6 n PRO 313 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2qt6 n GLY 314 N 0.70 -0.48 3.81 -1.23 0.00 -1.26 -4.88 105.19 101.84 2qt6 n GLY 314 Ca 0.07 -1.80 -0.34 0.00 0.00 0.00 0.00 46.02 43.94 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 -1.29 7.06 -1.08 1.61 0.02 0.30 -4.96 114.94 116.59 2qt6 s ASN 315 Ca 0.00 1.68 -0.08 0.00 -1.02 0.00 0.00 52.86 53.45 2qt6 s ASN 315 Cb 0.00 -2.53 -0.10 0.00 0.02 0.00 0.00 41.25 38.64 2qt6 s ASN 315 CO 0.00 -0.23 2.70 -0.81 0.02 0.00 0.00 177.10 178.78 2qt6 n PRO 316 N -0.17 2.77 -3.91 -0.60 -0.04 -1.26 -4.39 135.00 127.40 2qt6 n PRO 316 Ca 0.05 -1.69 -0.09 0.00 -0.04 0.00 0.00 63.50 61.73 2qt6 n PRO 316 Cb 0.53 -2.51 -0.07 0.00 -0.04 0.00 0.00 33.50 31.40 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 2.43 0.12 0.19 0.52 -4.23 -1.26 -5.04 115.64 108.36 2qt6 s THR 317 Ca 0.57 -1.30 -0.31 0.00 -1.18 0.00 0.00 61.69 59.47 2qt6 s THR 317 Cb 0.17 -1.54 -0.10 0.00 1.34 0.00 0.00 72.50 72.37 2qt6 s THR 317 CO -0.04 -0.54 1.51 -1.10 -0.54 0.00 0.00 174.62 173.91 2qt6 s GLN 318 N -3.91 4.24 -0.82 3.99 -0.21 -1.26 -1.29 119.66 120.40 2qt6 s GLN 318 Ca 0.10 2.32 0.00 0.00 0.02 0.00 0.00 55.36 57.80 2qt6 s GLN 318 Cb 0.05 -3.15 0.00 0.00 1.00 0.00 0.00 33.01 30.91 2qt6 s GLN 318 CO -0.07 -0.53 0.00 0.41 -2.12 0.00 0.00 175.29 172.98 2qt6 n GLY 319 N 3.19 0.81 0.59 3.09 0.00 -1.26 -4.92 105.19 106.68 2qt6 n GLY 319 Ca 0.11 -0.66 0.08 0.00 0.00 0.00 0.00 46.02 45.56 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 -1.82 0.42 3.95 -0.02 0.00 -0.42 -4.91 105.19 102.41 2qt6 n GLY 320 Ca -0.08 -0.39 -0.25 0.00 0.00 0.00 0.00 46.02 45.29 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 -1.67 3.26 0.24 4.61 0.00 -1.26 -0.54 121.76 126.39 2qt6 s ALA 321 Ca 0.28 -1.20 -0.03 0.00 0.00 0.00 0.00 51.96 51.00 2qt6 s ALA 321 Cb 0.15 -2.42 0.26 0.00 0.00 0.00 0.00 23.12 21.11 2qt6 s ALA 321 CO 0.21 -1.42 1.70 -0.44 0.00 0.00 0.00 175.76 175.81 2qt6 h ASP 322 N -0.64 0.78 -3.42 0.00 3.32 -1.56 -3.42 116.42 111.48 2qt6 h ASP 322 Ca -0.42 -0.23 -0.46 0.00 0.02 0.00 0.00 57.03 55.94 2qt6 h ASP 322 Cb 1.29 -0.21 -0.34 0.00 0.22 0.00 0.00 39.33 40.29 2qt6 h ASP 322 CO 0.51 0.90 -0.79 -0.22 -1.72 0.00 0.00 179.24 177.93 2qt6 s LEU 323 N -9.04 1.43 -0.20 1.55 2.96 -0.85 -5.01 118.68 109.52 2qt6 s LEU 323 Ca -0.09 -0.21 0.01 0.00 -0.22 0.00 0.00 54.13 53.62 2qt6 s LEU 323 Cb 0.14 -0.62 0.04 0.00 0.50 0.00 0.00 46.19 46.24 2qt6 s LEU 323 CO 0.82 -0.03 -0.13 0.20 -1.32 0.00 0.00 176.35 175.90 2qt6 s ASN 324 N 0.89 3.38 0.01 3.68 0.01 -1.26 -1.10 114.94 120.54 2qt6 s ASN 324 Ca -0.11 -0.85 0.07 0.00 -0.71 0.00 0.00 52.86 51.26 2qt6 s ASN 324 Cb -0.15 -1.32 -0.03 0.00 0.41 0.00 0.00 41.25 40.16 2qt6 s ASN 324 CO 0.01 -0.11 -0.20 -0.76 -1.51 0.00 0.00 177.10 174.54 2qt6 s LEU 325 N 1.35 2.49 -0.05 0.60 1.43 0.49 -4.99 118.68 119.99 2qt6 s LEU 325 Ca -0.00 -0.39 0.05 0.00 -1.03 0.00 0.00 54.13 52.75 2qt6 s LEU 325 Cb -0.16 -1.47 -0.02 0.00 0.03 0.00 0.00 46.19 44.58 2qt6 s LEU 325 CO -0.09 0.29 -0.19 0.21 0.23 0.00 0.00 176.35 176.80 2qt6 s ASN 326 N -1.08 3.57 -0.42 2.29 2.47 -1.26 -1.52 114.94 118.99 2qt6 s ASN 326 Ca 0.13 -0.35 -0.08 0.00 0.42 0.00 0.00 52.86 52.98 2qt6 s ASN 326 Cb -0.10 -0.80 0.09 0.00 -1.45 0.00 0.00 41.25 38.98 2qt6 s ASN 326 CO 0.03 0.30 0.25 -0.04 -3.72 0.00 0.00 177.10 173.91 2qt6 s MET 327 N -0.47 2.50 -0.34 0.43 -1.94 0.32 -4.89 119.30 114.91 2qt6 s MET 327 Ca 0.06 -1.53 -0.20 0.00 -1.71 0.00 0.00 55.69 52.30 2qt6 s MET 327 Cb -0.12 -3.74 -0.00 0.00 2.01 0.00 0.00 34.83 32.98 2qt6 s MET 327 CO 0.01 -0.98 0.60 0.00 -0.01 0.00 0.00 175.02 174.64 2qt6 s ALA 328 N 1.37 3.48 0.30 3.03 0.00 -1.26 -4.11 121.76 124.57 2qt6 s ALA 328 Ca 0.04 -0.86 -0.18 0.00 0.00 0.00 0.00 51.96 50.96 2qt6 s ALA 328 Cb -0.23 -3.11 -0.09 0.00 0.00 0.00 0.00 23.12 19.69 2qt6 s ALA 328 CO 0.01 -1.25 0.78 -0.06 0.00 0.00 0.00 175.76 175.24 2qt6 s PHE 329 N 2.59 3.49 0.36 0.00 2.99 -1.26 -0.31 117.98 125.84 2qt6 s PHE 329 Ca 0.23 1.38 -0.07 0.00 0.00 0.00 0.00 56.93 58.47 2qt6 s PHE 329 Cb -0.15 -2.64 0.03 0.00 0.00 0.00 0.00 43.02 40.26 2qt6 s PHE 329 CO 0.14 0.16 0.60 -1.71 -0.00 0.00 0.00 175.22 174.40 2qt6 n ASN 330 N 0.05 -1.70 -3.61 1.36 2.85 -0.37 -4.59 115.26 109.25 2qt6 n ASN 330 Ca 0.02 -2.72 -0.12 0.00 -0.11 0.00 0.00 54.58 51.64 2qt6 n ASN 330 Cb 0.52 2.99 -0.07 0.00 1.24 0.00 0.00 39.78 44.46 2qt6 n ASN 330 CO 0.00 0.00 0.00 0.12 -2.11 0.00 0.00 177.26 175.27 2qt6 s PHE 331 N -2.75 -0.59 -0.24 1.20 5.36 -1.01 -0.62 117.98 119.32 2qt6 s PHE 331 Ca 0.23 1.32 0.09 0.00 -0.96 0.00 0.00 56.93 57.61 2qt6 s PHE 331 Cb -0.03 0.35 0.20 0.00 -0.34 0.00 0.00 43.02 43.21 2qt6 s PHE 331 CO 0.17 -0.35 1.14 -0.40 -1.46 0.00 0.00 175.22 174.32 2qt6 n ASP 332 N 1.94 2.51 0.00 6.13 3.85 -0.47 -4.95 116.55 125.56 2qt6 n ASP 332 Ca -0.14 -2.39 0.00 0.00 -0.71 0.00 0.00 54.79 51.55 2qt6 n ASP 332 Cb 0.56 -0.22 0.00 0.00 -1.35 0.00 0.00 41.12 40.11 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 -0.52 3.49 1.35 6.12 0.00 -1.26 -4.76 105.19 109.62 2qt6 n GLY 333 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 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 -1.98 0.00 -4.50 2.61 -1.04 -1.26 -5.10 114.28 103.01 2qt6 n THR 334 Ca 0.00 0.00 -0.32 0.00 -2.04 0.00 0.00 64.05 61.69 2qt6 n THR 334 Cb 0.00 -1.02 -0.11 0.00 -1.82 0.00 0.00 70.33 67.39 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 -4.91 4.48 0.29 8.00 0.01 -1.26 -4.84 114.94 116.70 2qt6 s ASN 335 Ca 0.00 -0.19 -0.06 0.00 -0.71 0.00 0.00 52.86 51.90 2qt6 s ASN 335 Cb 0.00 -1.00 -0.06 0.00 0.41 0.00 0.00 41.25 40.60 2qt6 s ASN 335 CO 0.00 0.28 0.57 -0.36 -1.51 0.00 0.00 177.10 176.08 2qt6 s PHE 336 N -0.98 3.47 0.05 2.20 0.08 0.07 -1.36 117.98 121.50 2qt6 s PHE 336 Ca 0.17 0.72 0.04 0.00 0.12 0.00 0.00 56.93 57.98 2qt6 s PHE 336 Cb -0.11 -2.17 -0.02 0.00 -0.57 0.00 0.00 43.02 40.15 2qt6 s PHE 336 CO 0.07 0.17 -0.12 -0.06 -0.10 0.00 0.00 175.22 175.17 2qt6 s PHE 337 N -2.05 1.08 -0.11 0.36 0.08 0.21 -4.22 117.98 113.33 2qt6 s PHE 337 Ca 0.45 -0.39 0.01 0.00 0.12 0.00 0.00 56.93 57.12 2qt6 s PHE 337 Cb -0.11 -0.63 0.02 0.00 -0.57 0.00 0.00 43.02 41.73 2qt6 s PHE 337 CO 0.28 0.02 -0.11 0.42 -0.10 0.00 0.00 175.22 175.73 2qt6 s ILE 338 N -1.00 1.21 -1.55 0.64 1.01 0.02 -1.24 121.20 120.29 2qt6 s ILE 338 Ca -0.01 -0.44 -0.12 0.00 0.00 0.00 0.00 60.65 60.08 2qt6 s ILE 338 Cb -0.08 -1.17 0.09 0.00 0.01 0.00 0.00 42.46 41.31 2qt6 s ILE 338 CO 0.01 0.39 0.79 0.59 0.00 0.00 0.00 174.94 176.73 2qt6 n ASN 339 N 4.59 -3.16 0.00 3.58 3.02 0.58 -1.70 115.26 122.18 2qt6 n ASN 339 Ca -0.16 -0.90 0.00 0.00 -0.03 0.00 0.00 54.58 53.48 2qt6 n ASN 339 Cb 0.50 -3.36 0.00 0.00 -0.61 0.00 0.00 39.78 36.31 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 -1.63 0.87 3.11 7.41 0.00 -1.26 -5.02 105.19 108.67 2qt6 n GLY 340 Ca -0.04 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.18 1.35 -0.10 1.61 0.41 -0.69 -5.02 118.70 116.08 2qt6 s GLU 341 Ca 0.00 -0.52 -0.02 0.00 -0.41 0.00 0.00 54.97 54.01 2qt6 s GLU 341 Cb 0.00 -1.25 -0.03 0.00 -1.78 0.00 0.00 34.13 31.07 2qt6 s GLU 341 CO 0.00 0.27 -0.01 0.45 -0.49 0.00 0.00 175.26 175.48 2qt6 s SER 342 N -0.15 5.12 -0.41 -0.19 0.15 -1.26 -0.80 113.70 116.15 2qt6 s SER 342 Ca 0.02 0.07 -0.28 0.00 0.70 0.00 0.00 55.95 56.46 2qt6 s SER 342 Cb -0.08 -1.53 0.02 0.00 -1.71 0.00 0.00 66.02 62.73 2qt6 s SER 342 CO 0.00 0.33 1.08 0.12 1.20 0.00 0.00 173.24 175.97 2qt6 s PHE 343 N -0.57 2.96 -0.06 3.44 5.36 0.17 -4.97 117.98 124.31 2qt6 s PHE 343 Ca 0.09 0.85 0.02 0.00 -0.96 0.00 0.00 56.93 56.93 2qt6 s PHE 343 Cb -0.12 -4.07 -0.03 0.00 -0.34 0.00 0.00 43.02 38.46 2qt6 s PHE 343 CO 0.02 -1.05 -0.09 0.95 -1.46 0.00 0.00 175.22 173.59 2qt6 s THR 344 N 4.03 3.48 0.24 0.12 -4.23 -1.26 -3.91 115.64 114.11 2qt6 s THR 344 Ca 0.45 -0.56 -0.31 0.00 -1.18 0.00 0.00 61.69 60.09 2qt6 s THR 344 Cb -0.09 -2.41 -0.12 0.00 1.34 0.00 0.00 72.50 71.22 2qt6 s THR 344 CO 0.25 0.59 1.64 -0.81 -0.54 0.00 0.00 174.62 175.75 2qt6 n PRO 345 N 2.29 2.64 -1.95 3.99 -0.04 -1.26 -4.55 135.00 136.12 2qt6 n PRO 345 Ca -0.18 0.95 -0.31 0.00 -0.04 0.00 0.00 63.50 63.92 2qt6 n PRO 345 Cb 0.53 -2.75 0.01 0.00 -0.04 0.00 0.00 33.50 31.24 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 0.41 3.57 0.21 0.54 0.04 -1.26 -4.97 135.00 133.54 2qt6 s PRO 346 Ca 0.71 0.84 -0.09 0.00 0.04 0.00 0.00 61.00 62.50 2qt6 s PRO 346 Cb -0.53 -2.08 0.17 0.00 0.04 0.00 0.00 34.50 32.10 2qt6 s PRO 346 CO 0.40 -0.59 1.84 1.15 0.04 0.00 0.00 177.00 179.84 2qt6 h THR 347 N -0.09 1.23 -3.56 1.26 2.02 -1.93 -3.41 112.91 108.44 2qt6 h THR 347 Ca -0.45 -0.57 -0.62 0.00 0.77 0.00 0.00 66.41 65.55 2qt6 h THR 347 Cb 1.19 0.16 -0.15 0.00 -1.74 0.00 0.00 68.15 67.61 2qt6 h THR 347 CO 0.61 0.26 -0.52 -0.69 0.37 0.00 0.00 175.52 175.55 2qt6 s VAL 348 N -5.88 5.21 0.51 3.16 1.01 -1.26 -5.03 120.40 118.13 2qt6 s VAL 348 Ca -0.13 0.13 -0.23 0.00 0.00 0.00 0.00 61.98 61.75 2qt6 s VAL 348 Cb 0.15 -3.42 -0.07 0.00 0.00 0.00 0.00 36.38 33.04 2qt6 s VAL 348 CO 0.81 0.36 1.23 -2.65 0.00 0.00 0.00 175.10 174.84 2qt6 n PRO 349 N 4.25 1.60 -0.31 2.72 -0.02 -1.26 -4.67 135.00 137.31 2qt6 n PRO 349 Ca -0.15 0.58 0.05 0.00 -2.02 0.00 0.00 63.50 61.96 2qt6 n PRO 349 Cb 0.52 -2.39 0.19 0.00 -0.02 0.00 0.00 33.50 31.80 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 1.48 0.88 -0.88 -1.45 2.07 -1.00 0.13 116.25 117.48 2qt6 h VAL 350 Ca -0.49 -0.28 -0.00 0.00 0.82 0.00 0.00 66.70 66.75 2qt6 h VAL 350 Cb 1.31 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 31.04 2qt6 h VAL 350 CO 0.57 0.15 0.55 0.25 0.02 0.00 0.00 177.57 179.10 2qt6 h LEU 351 N 0.81 1.05 -0.75 2.57 5.85 -1.04 -1.57 115.31 122.22 2qt6 h LEU 351 Ca 0.43 -0.06 -0.13 0.00 0.84 0.00 0.00 57.88 58.96 2qt6 h LEU 351 Cb 0.44 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.20 2qt6 h LEU 351 CO -0.27 0.79 -0.54 0.25 -0.34 0.00 0.00 178.44 178.33 2qt6 h LEU 352 N 1.21 0.26 -0.81 2.25 5.85 -1.26 -1.00 115.31 121.81 2qt6 h LEU 352 Ca 0.32 -0.14 0.03 0.00 0.84 0.00 0.00 57.88 58.93 2qt6 h LEU 352 Cb -0.08 -0.07 -0.05 0.00 0.37 0.00 0.00 40.66 40.83 2qt6 h LEU 352 CO -0.06 0.75 0.52 1.56 -0.34 0.00 0.00 178.44 180.87 2qt6 h GLN 353 N 0.18 1.00 -0.36 1.25 4.20 -0.16 -0.47 115.11 120.76 2qt6 h GLN 353 Ca 0.00 -0.06 -0.17 0.00 0.06 0.00 0.00 58.65 58.49 2qt6 h GLN 353 Cb 1.01 -0.23 -0.00 0.00 0.30 0.00 0.00 27.48 28.56 2qt6 h GLN 353 CO 0.08 0.66 -0.43 0.82 -0.67 0.00 0.00 178.83 179.30 2qt6 h ILE 354 N 1.03 1.27 -0.88 2.54 2.04 -0.84 -2.20 117.51 120.47 2qt6 h ILE 354 Ca 0.32 -1.60 0.03 0.00 1.00 0.00 0.00 64.86 64.60 2qt6 h ILE 354 Cb -0.02 1.44 -0.05 0.00 -0.74 0.00 0.00 36.82 37.45 2qt6 h ILE 354 CO -0.10 0.53 0.58 0.40 0.00 0.00 0.00 178.15 179.56 2qt6 h ILE 355 N 0.75 1.17 0.00 -0.67 2.04 -0.85 -0.55 117.51 119.40 2qt6 h ILE 355 Ca 0.05 -0.39 0.00 0.00 1.00 0.00 0.00 64.86 65.52 2qt6 h ILE 355 Cb 1.03 -0.05 0.00 0.00 -0.74 0.00 0.00 36.82 37.05 2qt6 h ILE 355 CO 0.10 0.21 0.00 0.28 0.00 0.00 0.00 178.15 178.74 2qt6 h SER 356 N 1.12 0.00 0.00 1.72 0.02 -0.87 -3.46 113.55 112.08 2qt6 h SER 356 Ca 0.34 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.29 2qt6 h SER 356 Cb -0.02 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.52 2qt6 h SER 356 CO -0.09 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.21 2qt6 n GLY 357 N 0.24 0.87 3.73 -3.77 0.00 -0.21 -5.10 105.19 100.94 2qt6 n GLY 357 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.75 3.82 -0.01 4.61 0.00 -0.85 -4.87 121.76 123.72 2qt6 s ALA 358 Ca 0.00 1.50 0.01 0.00 0.00 0.00 0.00 51.96 53.47 2qt6 s ALA 358 Cb 0.00 -3.65 0.02 0.00 0.00 0.00 0.00 23.12 19.48 2qt6 s ALA 358 CO 0.00 -0.88 0.71 0.27 0.00 0.00 0.00 175.76 175.86 2qt6 n ASN 359 N 3.37 0.41 -4.19 0.00 0.23 -1.26 -4.52 115.26 109.30 2qt6 n ASN 359 Ca 0.13 -1.47 -0.15 0.00 -0.53 0.00 0.00 54.58 52.56 2qt6 n ASN 359 Cb 0.37 -0.07 -0.11 0.00 -2.08 0.00 0.00 39.78 37.90 2qt6 n ASN 359 CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 2qt6 s THR 360 N -0.29 1.01 0.35 5.53 -1.32 -1.26 -4.90 115.64 114.76 2qt6 s THR 360 Ca 0.02 -1.69 0.10 0.00 -1.21 0.00 0.00 61.69 58.90 2qt6 s THR 360 Cb 0.01 -1.43 0.33 0.00 -1.51 0.00 0.00 72.50 69.91 2qt6 s THR 360 CO 0.00 -0.56 1.84 0.00 -2.21 0.00 0.00 174.62 173.70 2qt6 h ALA 361 N 3.49 1.85 0.00 11.08 0.00 -1.95 -1.92 119.26 131.81 2qt6 h ALA 361 Ca -0.38 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.57 2qt6 h ALA 361 Cb 1.19 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.88 2qt6 h ALA 361 CO 0.54 -0.14 0.00 0.00 0.00 0.00 0.00 179.25 179.65 2qt6 n GLN 362 N -4.60 0.06 -0.03 0.00 0.00 -1.26 -1.95 117.38 109.60 2qt6 n GLN 362 Ca 0.19 0.14 0.13 0.00 0.00 0.00 0.00 57.00 57.46 2qt6 n GLN 362 Cb 0.54 -1.58 0.32 0.00 0.00 0.00 0.00 30.24 29.51 2qt6 n GLN 362 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.06 176.81 2qt6 n ASP 363 N -1.69 2.26 -4.83 2.61 8.00 -0.73 -4.91 116.55 117.27 2qt6 n ASP 363 Ca 0.05 -1.76 -0.36 0.00 0.71 0.00 0.00 54.79 53.43 2qt6 n ASP 363 Cb 0.30 -0.04 -0.07 0.00 -0.02 0.00 0.00 41.12 41.29 2qt6 n ASP 363 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2qt6 s LEU 364 N -1.90 4.21 0.07 0.64 1.43 -0.82 -4.91 118.68 117.40 2qt6 s LEU 364 Ca 0.34 0.38 0.02 0.00 -1.03 0.00 0.00 54.13 53.83 2qt6 s LEU 364 Cb 0.20 -2.02 -0.04 0.00 0.03 0.00 0.00 46.19 44.36 2qt6 s LEU 364 CO 0.31 0.38 0.13 -0.76 0.23 0.00 0.00 176.35 176.65 2qt6 s LEU 365 N -0.86 4.04 0.56 1.79 1.43 -1.26 -4.28 118.68 120.10 2qt6 s LEU 365 Ca 0.14 0.11 -0.17 0.00 -1.03 0.00 0.00 54.13 53.18 2qt6 s LEU 365 Cb -0.12 -2.68 -0.05 0.00 0.03 0.00 0.00 46.19 43.37 2qt6 s LEU 365 CO 0.03 0.17 1.04 -2.16 0.23 0.00 0.00 176.35 175.67 2qt6 s PRO 366 N -2.42 3.51 0.09 1.29 0.04 -1.26 -4.74 135.00 131.51 2qt6 s PRO 366 Ca 0.32 1.20 -0.34 0.00 0.04 0.00 0.00 61.00 62.22 2qt6 s PRO 366 Cb -0.13 -2.06 -0.13 0.00 0.04 0.00 0.00 34.50 32.22 2qt6 s PRO 366 CO 0.24 -0.65 1.69 -1.13 0.04 0.00 0.00 177.00 177.19 2qt6 n SER 367 N -1.73 3.29 -0.06 6.66 3.41 -1.26 -2.39 113.62 121.54 2qt6 n SER 367 Ca 0.09 1.04 -0.01 0.00 -0.26 0.00 0.00 58.87 59.73 2qt6 n SER 367 Cb 0.53 -1.42 -0.00 0.00 -0.26 0.00 0.00 64.21 63.05 2qt6 n SER 367 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2qt6 n GLY 368 N 3.78 0.43 0.41 5.00 0.00 -1.26 -4.85 105.19 108.68 2qt6 n GLY 368 Ca 0.19 -0.11 0.06 0.00 0.00 0.00 0.00 46.02 46.15 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 -0.09 1.78 -4.39 1.61 7.64 -1.01 -4.79 113.62 114.36 2qt6 n SER 369 Ca -0.01 -1.39 -0.33 0.00 1.01 0.00 0.00 58.87 58.16 2qt6 n SER 369 Cb 0.15 0.13 -0.14 0.00 -1.01 0.00 0.00 64.21 63.34 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 -1.11 2.86 -0.13 0.44 1.01 -1.26 -0.80 120.40 121.41 2qt6 s VAL 370 Ca 0.12 -0.76 0.02 0.00 0.00 0.00 0.00 61.98 61.36 2qt6 s VAL 370 Cb 0.10 -2.14 0.01 0.00 0.00 0.00 0.00 36.38 34.34 2qt6 s VAL 370 CO 0.18 0.56 -0.21 -0.31 0.00 0.00 0.00 175.10 175.32 2qt6 s TYR 371 N -0.18 2.58 -0.05 5.22 1.51 0.15 -4.79 117.35 121.78 2qt6 s TYR 371 Ca -0.01 -1.28 -0.29 0.00 -1.01 0.00 0.00 57.07 54.48 2qt6 s TYR 371 Cb -0.13 -1.76 -0.02 0.00 -0.11 0.00 0.00 41.96 39.93 2qt6 s TYR 371 CO 0.03 -0.59 0.98 0.45 -1.11 0.00 0.00 175.55 175.31 2qt6 s SER 372 N 0.81 7.29 -0.09 2.29 0.15 -1.26 0.74 113.70 123.62 2qt6 s SER 372 Ca -0.08 1.57 0.00 0.00 0.70 0.00 0.00 55.95 58.15 2qt6 s SER 372 Cb -0.16 -2.55 -0.02 0.00 -1.71 0.00 0.00 66.02 61.58 2qt6 s SER 372 CO -0.01 -0.34 -0.10 -0.76 1.20 0.00 0.00 173.24 173.23 2qt6 s LEU 373 N 1.46 2.96 0.44 3.45 1.43 -0.23 -4.92 118.68 123.27 2qt6 s LEU 373 Ca 0.49 -0.16 -0.22 0.00 -1.03 0.00 0.00 54.13 53.22 2qt6 s LEU 373 Cb -0.20 -1.65 -0.09 0.00 0.03 0.00 0.00 46.19 44.28 2qt6 s LEU 373 CO 0.23 0.27 1.01 -2.16 0.23 0.00 0.00 176.35 175.93 2qt6 s PRO 374 N -0.29 4.06 0.81 1.29 0.04 -1.26 -0.86 135.00 138.79 2qt6 s PRO 374 Ca 0.03 1.31 -0.11 0.00 0.04 0.00 0.00 61.00 62.27 2qt6 s PRO 374 Cb -0.13 -2.25 0.08 0.00 0.04 0.00 0.00 34.50 32.24 2qt6 s PRO 374 CO 0.03 -0.20 1.09 -1.54 0.04 0.00 0.00 177.00 176.42 2qt6 s SER 375 N -1.94 4.18 -1.58 6.66 1.04 -1.26 -4.09 113.70 116.70 2qt6 s SER 375 Ca 0.63 1.70 -0.15 0.00 0.48 0.00 0.00 55.95 58.61 2qt6 s SER 375 Cb -0.15 -2.40 0.11 0.00 0.10 0.00 0.00 66.02 63.67 2qt6 s SER 375 CO 0.19 -2.23 0.90 0.59 0.98 0.00 0.00 173.24 173.68 2qt6 n ASN 376 N -3.64 -4.14 -4.20 7.02 3.02 0.29 -4.93 115.26 108.69 2qt6 n ASN 376 Ca 0.08 -0.86 -0.17 0.00 -0.03 0.00 0.00 54.58 53.61 2qt6 n ASN 376 Cb 0.54 -3.50 -0.11 0.00 -0.61 0.00 0.00 39.78 36.09 2qt6 n ASN 376 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 2qt6 s SER 377 N -3.35 1.70 0.14 6.41 0.01 -1.26 -4.91 113.70 112.43 2qt6 s SER 377 Ca 0.66 -0.76 -0.23 0.00 1.31 0.00 0.00 55.95 56.93 2qt6 s SER 377 Cb -0.34 -0.03 -0.08 0.00 0.21 0.00 0.00 66.02 65.78 2qt6 s SER 377 CO 0.86 -0.18 0.70 -0.94 0.41 0.00 0.00 173.24 174.10 2qt6 s SER 378 N -2.28 7.26 -0.07 2.44 1.04 -1.26 -1.35 113.70 119.48 2qt6 s SER 378 Ca 0.05 1.50 0.03 0.00 0.48 0.00 0.00 55.95 58.01 2qt6 s SER 378 Cb -0.05 -2.45 0.00 0.00 0.10 0.00 0.00 66.02 63.63 2qt6 s SER 378 CO 0.02 0.23 -0.17 -0.63 0.98 0.00 0.00 173.24 173.66 2qt6 s ILE 379 N -1.15 1.51 -0.13 -1.02 -1.09 0.22 -1.35 121.20 118.19 2qt6 s ILE 379 Ca 0.34 -0.72 -0.02 0.00 -2.23 0.00 0.00 60.65 58.02 2qt6 s ILE 379 Cb -0.22 -1.33 -0.02 0.00 -1.58 0.00 0.00 42.46 39.31 2qt6 s ILE 379 CO 0.23 0.44 -0.07 -0.70 -1.23 0.00 0.00 174.94 173.61 2qt6 s GLU 380 N 0.38 3.45 -0.05 2.79 2.12 -0.25 -1.72 118.70 125.41 2qt6 s GLU 380 Ca -0.13 -0.58 0.04 0.00 0.36 0.00 0.00 54.97 54.66 2qt6 s GLU 380 Cb -0.15 -2.77 0.00 0.00 0.26 0.00 0.00 34.13 31.47 2qt6 s GLU 380 CO 0.05 0.29 -0.15 0.42 -0.54 0.00 0.00 175.26 175.33 2qt6 s ILE 381 N 0.19 1.31 0.06 -3.70 1.01 -0.57 -0.38 121.20 119.13 2qt6 s ILE 381 Ca -0.04 -0.63 0.06 0.00 0.00 0.00 0.00 60.65 60.04 2qt6 s ILE 381 Cb -0.14 -1.15 -0.04 0.00 0.01 0.00 0.00 42.46 41.14 2qt6 s ILE 381 CO 0.04 0.39 -0.11 0.42 0.00 0.00 0.00 174.94 175.68 2qt6 s THR 382 N 0.22 3.34 -0.48 2.92 -4.23 -0.58 -1.05 115.64 115.78 2qt6 s THR 382 Ca -0.07 -1.12 0.08 0.00 -1.18 0.00 0.00 61.69 59.40 2qt6 s THR 382 Cb -0.12 -2.50 0.29 0.00 1.34 0.00 0.00 72.50 71.50 2qt6 s THR 382 CO 0.03 0.23 0.70 0.49 -0.54 0.00 0.00 174.62 175.53 2qt6 n PHE 383 N 1.10 1.47 -1.77 3.99 3.01 -0.46 -0.52 117.46 124.27 2qt6 n PHE 383 Ca -0.14 -3.84 -0.42 0.00 1.01 0.00 0.00 57.45 54.06 2qt6 n PHE 383 Cb 0.52 -0.44 -0.02 0.00 -0.01 0.00 0.00 39.48 39.53 2qt6 n PHE 383 CO 0.00 0.00 0.00 -1.25 1.01 0.00 0.00 176.76 176.52 2qt6 s PRO 384 N -2.19 4.13 0.36 -1.08 0.04 -1.26 -4.13 135.00 130.87 2qt6 s PRO 384 Ca 0.40 2.58 -0.27 0.00 0.04 0.00 0.00 61.00 63.75 2qt6 s PRO 384 Cb 0.23 -3.04 -0.09 0.00 0.04 0.00 0.00 34.50 31.63 2qt6 s PRO 384 CO -0.08 -0.67 1.17 0.00 0.04 0.00 0.00 177.00 177.46 2qt6 s ALA 385 N 0.41 3.26 -0.08 8.56 0.00 -0.94 -4.71 121.76 128.26 2qt6 s ALA 385 Ca 0.67 0.99 -0.14 0.00 0.00 0.00 0.00 51.96 53.48 2qt6 s ALA 385 Cb -0.48 -3.38 0.03 0.00 0.00 0.00 0.00 23.12 19.29 2qt6 s ALA 385 CO 0.42 -0.45 0.35 -0.08 0.00 0.00 0.00 175.76 176.00 2qt6 s THR 386 N -1.32 0.03 -0.74 0.00 -1.32 -1.26 -4.44 115.64 106.58 2qt6 s THR 386 Ca 0.53 -0.22 0.16 0.00 -1.21 0.00 0.00 61.69 60.95 2qt6 s THR 386 Cb -0.32 -0.58 0.15 0.00 -1.51 0.00 0.00 72.50 70.25 2qt6 s THR 386 CO 0.41 -0.12 1.49 0.35 -2.21 0.00 0.00 174.62 174.54 2qt6 n THR 387 N 2.09 1.11 0.44 5.08 -2.24 -1.26 -2.28 114.28 117.21 2qt6 n THR 387 Ca -0.17 0.34 0.10 0.00 -2.27 0.00 0.00 64.05 62.05 2qt6 n THR 387 Cb 0.57 -1.22 0.44 0.00 -2.10 0.00 0.00 70.33 68.02 2qt6 n THR 387 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2qt6 n ALA 388 N -1.62 1.69 -3.80 6.98 0.00 -1.26 -4.13 120.51 118.36 2qt6 n ALA 388 Ca 0.02 0.04 -0.29 0.00 0.00 0.00 0.00 53.44 53.21 2qt6 n ALA 388 Cb 0.15 -1.34 -0.12 0.00 0.00 0.00 0.00 19.45 18.13 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 -3.21 2.97 0.92 0.00 0.00 -0.97 -2.41 121.76 119.06 2qt6 s ALA 389 Ca 0.05 -3.21 -0.11 0.00 0.00 0.00 0.00 51.96 48.69 2qt6 s ALA 389 Cb 0.10 -2.02 0.11 0.00 0.00 0.00 0.00 23.12 21.30 2qt6 s ALA 389 CO 0.36 -2.06 0.88 -2.30 0.00 0.00 0.00 175.76 172.65 2qt6 n PRO 390 N 2.75 -0.38 -0.20 0.00 -0.02 -1.26 -3.99 135.00 131.90 2qt6 n PRO 390 Ca 0.15 -0.05 0.00 0.00 -2.02 0.00 0.00 63.50 61.58 2qt6 n PRO 390 Cb 0.36 -2.19 0.00 0.00 -0.02 0.00 0.00 33.50 31.65 2qt6 n PRO 390 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2qt6 n GLY 391 N 0.73 0.89 3.72 -1.23 0.00 -1.26 -5.06 105.19 102.98 2qt6 n GLY 391 Ca 0.10 -0.05 -0.36 0.00 0.00 0.00 0.00 46.02 45.71 2qt6 n GLY 391 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qt6 n ALA 392 N -1.40 0.96 -2.70 4.61 0.00 -1.26 -4.17 120.51 116.55 2qt6 n ALA 392 Ca 0.00 -0.05 -0.41 0.00 0.00 0.00 0.00 53.44 52.98 2qt6 n ALA 392 Cb 0.00 -2.31 -0.04 0.00 0.00 0.00 0.00 19.45 17.10 2qt6 n ALA 392 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2qt6 s PRO 393 N -3.47 4.45 -0.23 0.00 0.04 -1.26 -5.04 135.00 129.49 2qt6 s PRO 393 Ca 0.81 1.13 -0.23 0.00 0.04 0.00 0.00 61.00 62.75 2qt6 s PRO 393 Cb -0.37 -3.49 -0.01 0.00 0.04 0.00 0.00 34.50 30.67 2qt6 s PRO 393 CO 0.42 -0.09 0.75 -1.01 0.04 0.00 0.00 177.00 177.11 2qt6 s HIS 394 N 1.26 3.32 -0.47 0.56 3.76 -1.26 -4.83 115.29 117.63 2qt6 s HIS 394 Ca 0.43 1.03 -0.22 0.00 -0.15 0.00 0.00 55.06 56.15 2qt6 s HIS 394 Cb -0.19 -2.96 0.03 0.00 1.11 0.00 0.00 32.58 30.57 2qt6 s HIS 394 CO 0.20 -0.34 0.76 -1.25 -0.85 0.00 0.00 174.74 173.26 2qt6 s PRO 395 N 2.59 3.34 0.16 8.40 0.04 -1.26 -0.75 135.00 147.52 2qt6 s PRO 395 Ca 0.32 -0.26 -0.15 0.00 0.04 0.00 0.00 61.00 60.95 2qt6 s PRO 395 Cb -0.15 -3.97 -0.07 0.00 0.04 0.00 0.00 34.50 30.34 2qt6 s PRO 395 CO 0.08 -1.16 0.57 -0.06 0.04 0.00 0.00 177.00 176.48 2qt6 s PHE 396 N 3.23 3.60 -0.05 0.56 0.40 -0.10 -0.36 117.98 125.25 2qt6 s PHE 396 Ca 0.27 1.10 0.03 0.00 -0.60 0.00 0.00 56.93 57.72 2qt6 s PHE 396 Cb -0.13 -2.40 0.01 0.00 0.51 0.00 0.00 43.02 41.01 2qt6 s PHE 396 CO 0.20 0.41 -0.12 -1.58 0.70 0.00 0.00 175.22 174.83 2qt6 s HIS 397 N -1.49 1.36 -0.20 0.36 5.65 0.41 -0.88 115.29 120.51 2qt6 s HIS 397 Ca 0.39 -0.45 -0.05 0.00 0.25 0.00 0.00 55.06 55.20 2qt6 s HIS 397 Cb -0.15 -0.98 -0.03 0.00 -1.18 0.00 0.00 32.58 30.24 2qt6 s HIS 397 CO 0.19 -0.22 0.01 -1.17 -0.65 0.00 0.00 174.74 172.91 2qt6 s LEU 398 N 0.46 3.32 0.66 8.88 2.96 -1.12 -1.54 118.68 132.31 2qt6 s LEU 398 Ca -0.10 -0.18 -0.12 0.00 -0.22 0.00 0.00 54.13 53.51 2qt6 s LEU 398 Cb -0.13 -1.85 -0.01 0.00 0.50 0.00 0.00 46.19 44.70 2qt6 s LEU 398 CO 0.03 0.06 1.06 -1.00 -1.32 0.00 0.00 176.35 175.18 2qt6 s HIS 399 N 1.01 3.06 0.00 5.38 3.76 -0.12 -4.15 115.29 124.23 2qt6 s HIS 399 Ca 0.02 1.45 0.00 0.00 -0.15 0.00 0.00 55.06 56.39 2qt6 s HIS 399 Cb -0.14 -2.92 0.00 0.00 1.11 0.00 0.00 32.58 30.62 2qt6 s HIS 399 CO 0.02 -1.20 0.00 0.41 -0.85 0.00 0.00 174.74 173.12 2qt6 n GLY 400 N -1.65 1.28 3.44 -2.22 0.00 -1.26 -4.74 105.19 100.04 2qt6 n GLY 400 Ca 0.08 0.00 -0.17 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 -3.53 -0.52 0.39 1.61 4.02 -1.26 -4.72 115.29 111.29 2qt6 s HIS 401 Ca 0.00 0.86 -0.00 0.00 1.02 0.00 0.00 55.06 56.94 2qt6 s HIS 401 Cb 0.00 0.32 -0.02 0.00 -1.02 0.00 0.00 32.58 31.85 2qt6 s HIS 401 CO 0.00 -0.55 0.61 0.14 1.02 0.00 0.00 174.74 175.96 2qt6 s VAL 402 N -1.28 4.77 0.05 -0.90 -7.23 -1.26 -4.74 120.40 109.81 2qt6 s VAL 402 Ca -0.12 -0.39 -0.00 0.00 -1.81 0.00 0.00 61.98 59.67 2qt6 s VAL 402 Cb -0.02 -3.75 -0.03 0.00 0.56 0.00 0.00 36.38 33.14 2qt6 s VAL 402 CO 0.08 -0.53 -0.04 0.72 -0.31 0.00 0.00 175.10 175.02 2qt6 s PHE 403 N -2.44 0.52 -0.07 2.82 -0.12 0.10 -4.83 117.98 113.96 2qt6 s PHE 403 Ca 0.43 -0.86 -0.24 0.00 -0.05 0.00 0.00 56.93 56.21 2qt6 s PHE 403 Cb -0.10 -0.36 -0.04 0.00 -0.63 0.00 0.00 43.02 41.90 2qt6 s PHE 403 CO 0.38 -0.27 0.72 0.00 -0.05 0.00 0.00 175.22 175.99 2qt6 s ALA 404 N -3.05 3.33 -1.01 1.99 0.00 0.04 -1.09 121.76 121.97 2qt6 s ALA 404 Ca 0.01 0.15 -0.16 0.00 0.00 0.00 0.00 51.96 51.95 2qt6 s ALA 404 Cb 0.02 -2.99 0.16 0.00 0.00 0.00 0.00 23.12 20.30 2qt6 s ALA 404 CO -0.06 -0.14 1.18 0.08 0.00 0.00 0.00 175.76 176.82 2qt6 s VAL 405 N 0.88 4.96 0.21 0.00 1.01 -0.30 -1.27 120.40 125.90 2qt6 s VAL 405 Ca 0.38 -2.06 -0.10 0.00 0.00 0.00 0.00 61.98 60.21 2qt6 s VAL 405 Cb -0.18 -4.78 0.15 0.00 0.00 0.00 0.00 36.38 31.57 2qt6 s VAL 405 CO 0.18 -1.48 1.83 0.58 0.00 0.00 0.00 175.10 176.21 2qt6 h VAL 406 N 5.29 1.23 -3.29 2.92 2.07 -1.35 -3.41 116.25 119.71 2qt6 h VAL 406 Ca 0.20 -0.55 -0.55 0.00 0.82 0.00 0.00 66.70 66.63 2qt6 h VAL 406 Cb 0.97 0.20 -0.35 0.00 -1.52 0.00 0.00 31.29 30.60 2qt6 h VAL 406 CO 1.11 0.25 -0.82 -0.60 0.02 0.00 0.00 177.57 177.53 2qt6 s ARG 407 N -5.88 1.87 0.37 1.57 3.52 -0.97 -0.88 118.95 118.55 2qt6 s ARG 407 Ca -0.13 -0.43 0.02 0.00 -0.13 0.00 0.00 55.73 55.06 2qt6 s ARG 407 Cb 0.15 -1.65 -0.02 0.00 -1.56 0.00 0.00 34.95 31.87 2qt6 s ARG 407 CO 0.80 -0.09 0.56 -1.12 -0.81 0.00 0.00 175.30 174.64 2qt6 s SER 408 N 1.07 6.05 0.46 -2.12 0.01 -1.26 -1.91 113.70 115.99 2qt6 s SER 408 Ca -0.06 0.21 -0.24 0.00 1.31 0.00 0.00 55.95 57.17 2qt6 s SER 408 Cb -0.15 -1.65 -0.07 0.00 0.21 0.00 0.00 66.02 64.36 2qt6 s SER 408 CO -0.02 -0.46 1.34 0.00 0.41 0.00 0.00 173.24 174.51 2qt6 s ALA 409 N -2.35 3.10 0.00 1.44 0.00 -1.26 -2.67 121.76 120.02 2qt6 s ALA 409 Ca 0.44 1.30 0.00 0.00 0.00 0.00 0.00 51.96 53.69 2qt6 s ALA 409 Cb -0.10 -3.53 0.00 0.00 0.00 0.00 0.00 23.12 19.49 2qt6 s ALA 409 CO 0.35 -1.07 0.00 0.41 0.00 0.00 0.00 175.76 175.45 2qt6 n GLY 410 N 0.63 0.48 3.03 0.00 0.00 -1.26 -4.96 105.19 103.12 2qt6 n GLY 410 Ca 0.06 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.04 0.98 0.00 1.61 0.15 -1.09 -5.03 113.70 108.28 2qt6 s SER 411 Ca 0.00 -0.28 0.23 0.00 0.70 0.00 0.00 55.95 56.59 2qt6 s SER 411 Cb 0.00 -0.07 0.22 0.00 -1.71 0.00 0.00 66.02 64.47 2qt6 s SER 411 CO 0.00 0.01 1.25 0.35 1.20 0.00 0.00 173.24 176.05 2qt6 n THR 412 N 2.39 0.09 -3.07 6.45 -2.24 -1.26 -4.64 114.28 112.00 2qt6 n THR 412 Ca -0.16 -0.55 -0.28 0.00 -2.27 0.00 0.00 64.05 60.80 2qt6 n THR 412 Cb 0.56 1.39 -0.02 0.00 -2.10 0.00 0.00 70.33 70.16 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 -1.83 6.38 -0.18 3.42 1.04 -1.26 -5.08 113.70 116.20 2qt6 s SER 413 Ca 0.29 0.80 -0.00 0.00 0.48 0.00 0.00 55.95 57.51 2qt6 s SER 413 Cb 0.20 -2.18 0.00 0.00 0.10 0.00 0.00 66.02 64.14 2qt6 s SER 413 CO 0.29 -0.35 -0.14 -0.31 0.98 0.00 0.00 173.24 173.71 2qt6 s TYR 414 N -2.35 2.82 -0.36 5.02 1.51 -1.26 -4.35 117.35 118.38 2qt6 s TYR 414 Ca 0.45 -1.22 -0.06 0.00 -1.01 0.00 0.00 57.07 55.23 2qt6 s TYR 414 Cb -0.10 -1.95 0.06 0.00 -0.11 0.00 0.00 41.96 39.86 2qt6 s TYR 414 CO 0.35 -0.61 0.14 1.21 -1.11 0.00 0.00 175.55 175.53 2qt6 s ASN 415 N 1.14 5.30 -0.03 2.29 3.84 -0.06 -4.94 114.94 122.49 2qt6 s ASN 415 Ca 0.01 -1.39 0.21 0.00 0.21 0.00 0.00 52.86 51.90 2qt6 s ASN 415 Cb -0.14 -1.86 0.67 0.00 -0.55 0.00 0.00 41.25 39.36 2qt6 s ASN 415 CO -0.05 -0.40 1.56 -1.22 -2.79 0.00 0.00 177.10 174.20 2qt6 n TYR 416 N 4.76 1.12 -0.07 0.43 4.02 -1.26 -4.31 117.16 121.86 2qt6 n TYR 416 Ca -0.10 -0.53 -0.15 0.00 -0.01 0.00 0.00 57.90 57.11 2qt6 n TYR 416 Cb 0.43 -0.07 -0.05 0.00 -0.02 0.00 0.00 39.34 39.63 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 1.49 1.40 -2.71 7.72 8.00 -1.26 -4.30 116.55 126.89 2qt6 n ASP 417 Ca 0.25 0.23 -0.06 0.00 0.71 0.00 0.00 54.79 55.92 2qt6 n ASP 417 Cb 0.70 -0.55 0.07 0.00 -0.02 0.00 0.00 41.12 41.32 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 -3.91 0.22 -4.76 -2.24 5.75 -1.26 -4.69 116.55 105.66 2qt6 n ASP 418 Ca -0.27 -2.44 -0.33 0.00 -0.01 0.00 0.00 54.79 51.75 2qt6 n ASP 418 Cb 0.61 0.04 0.07 0.00 -1.03 0.00 0.00 41.12 40.81 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 -1.98 2.50 0.44 0.11 0.04 -1.26 -4.47 135.00 130.38 2qt6 s PRO 419 Ca 0.23 1.40 -0.24 0.00 0.04 0.00 0.00 61.00 62.43 2qt6 s PRO 419 Cb 0.41 -1.91 -0.09 0.00 0.04 0.00 0.00 34.50 32.95 2qt6 s PRO 419 CO -0.03 -1.49 1.19 1.55 0.04 0.00 0.00 177.00 178.26 2qt6 n VAL 420 N -2.79 2.69 -4.24 -0.36 3.14 -1.08 -4.43 118.33 111.25 2qt6 n VAL 420 Ca 0.11 -0.50 -0.34 0.00 -2.96 0.00 0.00 64.34 60.64 2qt6 n VAL 420 Cb 0.52 -1.44 -0.10 0.00 -1.06 0.00 0.00 33.84 31.76 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 -1.24 3.16 0.09 1.45 0.52 -1.26 -1.15 118.94 120.51 2qt6 s TRP 421 Ca 0.63 -0.01 -0.03 0.00 0.02 0.00 0.00 56.10 56.72 2qt6 s TRP 421 Cb -0.51 -1.95 0.01 0.00 -1.15 0.00 0.00 33.47 29.87 2qt6 s TRP 421 CO 0.56 0.20 0.18 2.89 0.02 0.00 0.00 176.95 180.80 2qt6 n ARG 422 N 3.10 0.25 0.00 4.98 1.85 -0.25 -4.73 116.66 121.86 2qt6 n ARG 422 Ca -0.17 -0.55 0.00 0.00 -1.00 0.00 0.00 57.85 56.12 2qt6 n ARG 422 Cb 0.53 0.66 0.00 0.00 -1.05 0.00 0.00 32.46 32.60 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 -1.27 0.08 -3.99 2.89 5.68 -1.26 -0.73 116.55 117.95 2qt6 n ASP 423 Ca -0.02 -0.42 -0.22 0.00 -0.50 0.00 0.00 54.79 53.64 2qt6 n ASP 423 Cb 0.14 0.60 -0.16 0.00 -1.14 0.00 0.00 41.12 40.56 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 -0.60 0.85 -0.03 2.12 1.01 -1.26 -2.79 120.40 119.70 2qt6 s VAL 424 Ca 0.00 -0.35 0.01 0.00 0.00 0.00 0.00 61.98 61.64 2qt6 s VAL 424 Cb 0.00 -0.79 0.02 0.00 0.00 0.00 0.00 36.38 35.61 2qt6 s VAL 424 CO 0.00 0.28 -0.05 0.54 0.00 0.00 0.00 175.10 175.87 2qt6 s VAL 425 N 0.51 0.49 0.22 2.92 0.11 -0.06 -4.93 120.40 119.66 2qt6 s VAL 425 Ca -0.09 -0.14 -0.31 0.00 -2.93 0.00 0.00 61.98 58.52 2qt6 s VAL 425 Cb -0.12 -0.50 -0.10 0.00 -1.53 0.00 0.00 36.38 34.12 2qt6 s VAL 425 CO 0.01 0.20 1.54 -0.55 -3.33 0.00 0.00 175.10 172.97 2qt6 s SER 426 N 0.66 6.56 0.00 3.54 0.15 -1.26 -0.92 113.70 122.43 2qt6 s SER 426 Ca -0.08 2.70 0.19 0.00 0.70 0.00 0.00 55.95 59.45 2qt6 s SER 426 Cb -0.12 -2.61 0.57 0.00 -1.71 0.00 0.00 66.02 62.15 2qt6 s SER 426 CO -0.00 -0.81 1.44 0.35 1.20 0.00 0.00 173.24 175.43 2qt6 n THR 427 N 3.14 0.38 -4.33 6.45 -2.24 0.07 -4.20 114.28 113.55 2qt6 n THR 427 Ca 0.11 -0.49 0.00 0.00 -2.27 0.00 0.00 64.05 61.40 2qt6 n THR 427 Cb 0.39 0.44 0.00 0.00 -2.10 0.00 0.00 70.33 69.06 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 1.21 -0.11 3.06 3.38 0.00 -1.26 -4.35 105.19 107.12 2qt6 n GLY 428 Ca 0.16 -0.99 -0.11 0.00 0.00 0.00 0.00 46.02 45.08 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 0.39 0.35 2.61 -4.23 -1.26 -4.02 115.64 109.48 2qt6 s THR 429 Ca 0.00 -1.28 0.15 0.00 -1.18 0.00 0.00 61.69 59.39 2qt6 s THR 429 Cb 0.00 -0.81 0.12 0.00 1.34 0.00 0.00 72.50 73.15 2qt6 s THR 429 CO 0.00 -0.59 1.85 1.55 -0.54 0.00 0.00 174.62 176.89 2qt6 h PRO 430 N 4.09 0.00 -0.81 3.99 0.13 -1.87 -2.76 132.00 134.78 2qt6 h PRO 430 Ca -0.34 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 64.83 2qt6 h PRO 430 Cb 1.19 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.27 2qt6 h PRO 430 CO 0.48 0.34 0.53 1.96 -0.23 0.00 0.00 178.00 181.08 2qt6 h GLN 431 N 0.00 0.93 -0.00 0.86 7.50 -1.96 -0.95 115.11 121.48 2qt6 h GLN 431 Ca -0.00 -0.06 0.00 0.00 0.50 0.00 0.00 58.65 59.09 2qt6 h GLN 431 Cb 0.64 -0.21 0.00 0.00 0.05 0.00 0.00 27.48 27.96 2qt6 h GLN 431 CO 0.04 0.62 -0.06 0.00 -1.50 0.00 0.00 178.83 177.93 2qt6 n ALA 432 N -2.42 2.70 -2.87 3.87 0.00 -1.11 -4.93 120.51 115.75 2qt6 n ALA 432 Ca 0.11 -0.26 -0.18 0.00 0.00 0.00 0.00 53.44 53.11 2qt6 n ALA 432 Cb 0.15 -1.37 0.03 0.00 0.00 0.00 0.00 19.45 18.26 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 1.21 -0.30 3.76 0.00 0.00 -0.36 -4.92 105.19 104.59 2qt6 n GLY 433 Ca 0.17 -0.04 -0.36 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.76 5.57 -0.43 1.61 1.01 -1.06 -4.95 116.67 115.66 2qt6 s ASP 434 Ca 0.25 2.33 0.07 0.00 0.71 0.00 0.00 52.55 55.90 2qt6 s ASP 434 Cb -0.11 -2.60 0.24 0.00 1.01 0.00 0.00 42.92 41.46 2qt6 s ASP 434 CO 0.30 -1.33 0.62 -3.20 0.21 0.00 0.00 175.17 171.77 2qt6 n ASN 435 N -1.24 -0.99 -4.75 0.27 4.05 -1.26 -2.21 115.26 109.12 2qt6 n ASN 435 Ca 0.12 -2.85 -0.41 0.00 0.45 0.00 0.00 54.58 51.88 2qt6 n ASN 435 Cb 0.49 0.22 -0.02 0.00 1.23 0.00 0.00 39.78 41.71 2qt6 n ASN 435 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 177.26 173.52 2qt6 s VAL 436 N -0.39 2.11 -0.05 3.44 1.01 -1.26 -4.77 120.40 120.49 2qt6 s VAL 436 Ca 0.34 0.09 0.00 0.00 0.00 0.00 0.00 61.98 62.41 2qt6 s VAL 436 Cb 0.16 -3.06 0.02 0.00 0.00 0.00 0.00 36.38 33.51 2qt6 s VAL 436 CO -0.16 0.02 -0.03 -0.89 0.00 0.00 0.00 175.10 174.04 2qt6 s THR 437 N -0.03 0.46 0.26 3.92 2.01 -0.80 -1.36 115.64 120.10 2qt6 s THR 437 Ca 0.63 -0.05 0.12 0.00 0.31 0.00 0.00 61.69 62.70 2qt6 s THR 437 Cb -0.47 -0.52 -0.05 0.00 0.01 0.00 0.00 72.50 71.46 2qt6 s THR 437 CO 0.48 0.22 -0.21 0.27 -0.69 0.00 0.00 174.62 174.70 2qt6 s ILE 438 N 1.15 2.42 0.02 1.82 -4.36 -0.22 -1.09 121.20 120.95 2qt6 s ILE 438 Ca -0.07 -2.32 0.03 0.00 -0.26 0.00 0.00 60.65 58.02 2qt6 s ILE 438 Cb -0.14 -2.25 -0.01 0.00 1.25 0.00 0.00 42.46 41.31 2qt6 s ILE 438 CO -0.01 -0.35 -0.09 -0.13 0.24 0.00 0.00 174.94 174.59 2qt6 s ARG 439 N -3.34 0.66 0.24 0.37 1.81 -0.39 -1.51 118.95 116.78 2qt6 s ARG 439 Ca 0.28 -0.51 -0.15 0.00 -1.72 0.00 0.00 55.73 53.63 2qt6 s ARG 439 Cb -0.05 -0.60 0.01 0.00 -0.45 0.00 0.00 34.95 33.85 2qt6 s ARG 439 CO 0.14 0.15 0.53 -0.59 -0.68 0.00 0.00 175.30 174.84 2qt6 s PHE 440 N -0.63 0.16 -0.03 -0.53 -0.71 -0.70 -0.78 117.98 114.75 2qt6 s PHE 440 Ca -0.01 -0.54 0.04 0.00 -1.04 0.00 0.00 56.93 55.38 2qt6 s PHE 440 Cb -0.06 0.32 -0.03 0.00 -1.21 0.00 0.00 43.02 42.04 2qt6 s PHE 440 CO 0.00 -1.02 -0.13 -1.14 -1.34 0.00 0.00 175.22 171.60 2qt6 s GLN 441 N -3.97 2.49 -0.94 1.99 2.00 -1.26 -0.61 119.66 119.36 2qt6 s GLN 441 Ca 0.17 -0.72 -0.19 0.00 -2.00 0.00 0.00 55.36 52.63 2qt6 s GLN 441 Cb -0.02 -2.40 0.13 0.00 0.80 0.00 0.00 33.01 31.53 2qt6 s GLN 441 CO 0.06 0.62 1.14 0.95 -0.50 0.00 0.00 175.29 177.56 2qt6 s THR 442 N -0.80 4.74 -0.18 -0.34 -4.23 -0.46 -4.75 115.64 109.61 2qt6 s THR 442 Ca 0.13 -1.62 0.14 0.00 -1.18 0.00 0.00 61.69 59.16 2qt6 s THR 442 Cb -0.11 -4.79 0.37 0.00 1.34 0.00 0.00 72.50 69.32 2qt6 s THR 442 CO 0.02 -1.51 1.20 0.47 -0.54 0.00 0.00 174.62 174.26 2qt6 n ASP 443 N 6.52 2.00 -3.25 3.99 8.00 -1.26 -0.55 116.55 131.99 2qt6 n ASP 443 Ca 0.25 -3.58 -0.21 0.00 0.71 0.00 0.00 54.79 51.96 2qt6 n ASP 443 Cb 0.49 -0.49 -0.07 0.00 -0.02 0.00 0.00 41.12 41.02 2qt6 n ASP 443 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 2qt6 s ASN 444 N -3.07 0.84 0.22 -2.24 2.47 -1.26 -5.07 114.94 106.82 2qt6 s ASN 444 Ca 0.36 -2.54 -0.32 0.00 0.42 0.00 0.00 52.86 50.77 2qt6 s ASN 444 Cb 0.33 0.20 -0.13 0.00 -1.45 0.00 0.00 41.25 40.21 2qt6 s ASN 444 CO -0.03 -0.16 1.53 -2.65 -3.72 0.00 0.00 177.10 172.07 2qt6 n PRO 445 N 3.11 2.26 0.00 0.43 -0.02 -1.26 -4.81 135.00 134.71 2qt6 n PRO 445 Ca 0.24 0.81 0.00 0.00 -2.02 0.00 0.00 63.50 62.53 2qt6 n PRO 445 Cb 0.49 -2.55 0.00 0.00 -0.02 0.00 0.00 33.50 31.42 2qt6 n PRO 445 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2qt6 n GLY 446 N 2.77 3.76 3.68 -1.23 0.00 -0.19 -4.75 105.19 109.23 2qt6 n GLY 446 Ca 0.13 -1.10 -0.42 0.00 0.00 0.00 0.00 46.02 44.63 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 -2.49 4.38 -0.08 1.61 0.04 -1.26 -1.21 135.00 135.99 2qt6 s PRO 447 Ca 0.00 1.21 0.03 0.00 0.04 0.00 0.00 61.00 62.28 2qt6 s PRO 447 Cb 0.00 -3.54 0.01 0.00 0.04 0.00 0.00 34.50 31.00 2qt6 s PRO 447 CO 0.00 -0.27 -0.18 -1.58 0.04 0.00 0.00 177.00 175.01 2qt6 s TRP 448 N 1.91 1.98 0.49 0.56 0.52 0.33 -4.89 118.94 119.84 2qt6 s TRP 448 Ca 0.44 -0.77 -0.21 0.00 0.02 0.00 0.00 56.10 55.57 2qt6 s TRP 448 Cb -0.18 -1.37 -0.08 0.00 -1.15 0.00 0.00 33.47 30.69 2qt6 s TRP 448 CO 0.16 -0.34 1.09 0.12 0.02 0.00 0.00 176.95 178.00 2qt6 s PHE 449 N 0.48 2.92 -0.12 -1.98 5.36 -1.26 -0.53 117.98 122.85 2qt6 s PHE 449 Ca -0.16 1.57 -0.03 0.00 -0.96 0.00 0.00 56.93 57.35 2qt6 s PHE 449 Cb -0.17 -3.20 0.04 0.00 -0.34 0.00 0.00 43.02 39.36 2qt6 s PHE 449 CO 0.06 -1.14 0.04 -1.17 -1.46 0.00 0.00 175.22 171.55 2qt6 s LEU 450 N -3.38 0.58 0.19 6.12 2.96 -0.28 -0.94 118.68 123.92 2qt6 s LEU 450 Ca 0.67 -0.34 -0.23 0.00 -0.22 0.00 0.00 54.13 54.01 2qt6 s LEU 450 Cb -0.22 -0.37 0.06 0.00 0.50 0.00 0.00 46.19 46.16 2qt6 s LEU 450 CO 0.26 -0.27 0.64 -1.38 -1.32 0.00 0.00 176.35 174.28 2qt6 s HIS 451 N 2.03 -0.44 0.21 5.38 -3.43 -0.59 -0.89 115.29 117.56 2qt6 s HIS 451 Ca 0.03 0.17 -0.30 0.00 -0.80 0.00 0.00 55.06 54.16 2qt6 s HIS 451 Cb -0.14 0.60 -0.09 0.00 -1.43 0.00 0.00 32.58 31.52 2qt6 s HIS 451 CO -0.06 -0.95 1.30 0.00 -2.00 0.00 0.00 174.74 173.04 2qt6 n HIS 453 N 2.41 0.44 -2.31 0.00 -0.00 0.51 -4.11 115.22 112.16 2qt6 n HIS 453 Ca 0.05 -0.22 -0.43 0.00 0.46 0.00 0.00 57.72 57.59 2qt6 n HIS 453 Cb 0.43 0.00 -0.02 0.00 -0.12 0.00 0.00 29.99 30.27 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 -1.56 3.83 0.41 3.57 1.01 -1.26 -4.66 121.20 122.53 2qt6 s ILE 454 Ca 0.30 0.82 0.09 0.00 0.00 0.00 0.00 60.65 61.86 2qt6 s ILE 454 Cb 0.16 -4.17 0.21 0.00 0.01 0.00 0.00 42.46 38.67 2qt6 s ILE 454 CO 0.22 -0.78 1.99 -0.78 0.00 0.00 0.00 174.94 175.59 2qt6 h ASP 455 N 11.08 0.32 -0.05 3.58 3.58 -1.12 0.67 116.42 134.47 2qt6 h ASP 455 Ca -0.28 -0.04 -0.05 0.00 0.42 0.00 0.00 57.03 57.09 2qt6 h ASP 455 Cb 1.11 -0.08 -0.01 0.00 1.72 0.00 0.00 39.33 42.07 2qt6 h ASP 455 CO 1.10 0.34 -0.09 -0.26 -2.88 0.00 0.00 179.24 177.45 2qt6 h PHE 456 N 0.35 0.32 0.08 0.28 0.04 -1.90 -0.39 116.94 115.71 2qt6 h PHE 456 Ca 0.08 -0.03 -0.25 0.00 2.80 0.00 0.00 57.97 60.58 2qt6 h PHE 456 Cb 0.17 -0.09 0.02 0.00 2.20 0.00 0.00 35.95 38.25 2qt6 h PHE 456 CO 0.00 0.40 -1.01 0.45 -0.60 0.00 0.00 178.31 177.56 2qt6 h HIS 457 N 0.30 0.87 -0.46 -0.55 3.86 -1.26 -2.65 115.15 115.26 2qt6 h HIS 457 Ca 0.06 -0.53 0.08 0.00 -1.16 0.00 0.00 60.37 58.82 2qt6 h HIS 457 Cb 0.34 -0.08 -0.06 0.00 1.06 0.00 0.00 27.41 28.67 2qt6 h HIS 457 CO 0.01 1.37 0.09 1.25 0.86 0.00 0.00 177.93 181.51 2qt6 h LEU 458 N 0.12 0.00 -1.80 2.43 5.85 -1.00 -1.32 115.31 119.59 2qt6 h LEU 458 Ca -0.15 0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.63 2qt6 h LEU 458 Cb 1.70 0.11 -0.00 0.00 0.37 0.00 0.00 40.66 42.84 2qt6 h LEU 458 CO 0.19 0.03 -0.11 -0.78 -0.34 0.00 0.00 178.44 177.43 2qt6 h ASP 459 N 0.22 0.00 -0.41 1.25 1.82 -1.10 0.06 116.42 118.27 2qt6 h ASP 459 Ca 0.23 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.87 2qt6 h ASP 459 Cb 0.30 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.31 2qt6 h ASP 459 CO -0.30 0.11 0.00 0.00 -1.61 0.00 0.00 179.24 177.44 2qt6 n ALA 460 N -2.22 2.52 0.00 -0.78 0.00 -0.74 -4.92 120.51 114.37 2qt6 n ALA 460 Ca -0.01 -0.77 0.00 0.00 0.00 0.00 0.00 53.44 52.66 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 1.10 2.90 0.00 0.00 0.01 -0.75 105.19 109.52 2qt6 n GLY 461 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 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 -1.55 3.44 -3.48 1.61 7.35 -0.58 -0.65 117.46 123.60 2qt6 n PHE 462 Ca 0.00 -2.91 -0.14 0.00 -0.76 0.00 0.00 57.45 53.64 2qt6 n PHE 462 Cb 0.00 -2.27 -0.04 0.00 0.35 0.00 0.00 39.48 37.53 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 1.89 -1.70 0.23 3.13 0.00 -1.26 -1.98 121.76 122.07 2qt6 s ALA 463 Ca 0.44 0.94 0.01 0.00 0.00 0.00 0.00 51.96 53.34 2qt6 s ALA 463 Cb 0.10 0.40 -0.04 0.00 0.00 0.00 0.00 23.12 23.58 2qt6 s ALA 463 CO -0.03 -0.57 0.15 0.14 0.00 0.00 0.00 175.76 175.46 2qt6 s VAL 464 N -2.46 0.04 -0.08 0.00 -7.23 -0.07 -4.24 120.40 106.37 2qt6 s VAL 464 Ca -0.04 -2.00 0.05 0.00 -1.81 0.00 0.00 61.98 58.18 2qt6 s VAL 464 Cb -0.01 -2.51 -0.00 0.00 0.56 0.00 0.00 36.38 34.42 2qt6 s VAL 464 CO -0.02 0.00 -0.24 -0.69 -0.31 0.00 0.00 175.10 173.84 2qt6 s VAL 465 N -4.01 2.00 -0.49 1.32 1.01 0.02 -1.13 120.40 119.12 2qt6 s VAL 465 Ca 0.39 -1.01 -0.20 0.00 0.00 0.00 0.00 61.98 61.16 2qt6 s VAL 465 Cb 0.06 -1.71 0.05 0.00 0.00 0.00 0.00 36.38 34.78 2qt6 s VAL 465 CO 0.15 0.55 0.65 -0.04 0.00 0.00 0.00 175.10 176.41 2qt6 s MET 466 N 0.11 3.17 -0.82 2.72 -1.94 0.31 -0.67 119.30 122.18 2qt6 s MET 466 Ca -0.11 -0.71 -0.19 0.00 -1.71 0.00 0.00 55.69 52.96 2qt6 s MET 466 Cb -0.16 -4.06 0.13 0.00 2.01 0.00 0.00 34.83 32.75 2qt6 s MET 466 CO 0.06 -1.19 1.00 0.00 -0.01 0.00 0.00 175.02 174.88 2qt6 s ALA 467 N 2.79 3.41 -0.21 3.03 0.00 0.23 -0.51 121.76 130.48 2qt6 s ALA 467 Ca 0.18 -2.59 -0.23 0.00 0.00 0.00 0.00 51.96 49.32 2qt6 s ALA 467 Cb -0.17 -3.89 -0.01 0.00 0.00 0.00 0.00 23.12 19.05 2qt6 s ALA 467 CO 0.14 -2.78 0.74 -2.00 0.00 0.00 0.00 175.76 171.86 2qt6 s GLU 468 N 2.65 4.21 -1.18 0.00 2.12 -0.35 -1.07 118.70 125.08 2qt6 s GLU 468 Ca 0.26 0.81 -0.11 0.00 0.36 0.00 0.00 54.97 56.30 2qt6 s GLU 468 Cb -0.10 -3.61 -0.02 0.00 0.26 0.00 0.00 34.13 30.66 2qt6 s GLU 468 CO -0.04 -0.38 0.78 -3.47 -0.54 0.00 0.00 175.26 171.61 2qt6 n ASP 469 N 5.52 -4.15 -0.34 -1.70 2.03 -0.04 -1.02 116.55 116.85 2qt6 n ASP 469 Ca 0.02 -0.89 0.12 0.00 0.52 0.00 0.00 54.79 54.56 2qt6 n ASP 469 Cb 0.49 -3.96 0.25 0.00 -0.72 0.00 0.00 41.12 37.18 2qt6 n ASP 469 CO 0.00 0.00 0.00 -0.38 -1.92 0.00 0.00 177.20 174.90 2qt6 n ILE 470 N -4.02 -0.41 0.13 5.18 5.41 -1.26 -0.90 119.36 123.49 2qt6 n ILE 470 Ca -0.16 2.16 0.19 0.00 1.00 0.00 0.00 62.75 65.93 2qt6 n ILE 470 Cb 0.63 -3.11 0.77 0.00 -0.71 0.00 0.00 39.64 37.22 2qt6 n ILE 470 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 176.55 175.90 2qt6 h PRO 471 N 0.00 0.00 -0.13 0.38 0.11 -1.90 -2.32 132.00 128.14 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 1.09 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.20 2qt6 h PRO 471 CO -0.93 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 176.95 2qt6 n ASN 472 N -3.84 2.52 -0.28 -2.05 3.02 -0.08 -4.66 115.26 109.89 2qt6 n ASN 472 Ca 0.05 -2.28 -0.01 0.00 -0.03 0.00 0.00 54.58 52.32 2qt6 n ASN 472 Cb 0.48 -0.19 0.12 0.00 -0.61 0.00 0.00 39.78 39.58 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 0.78 1.02 -0.08 3.41 2.02 -1.01 -0.43 112.91 118.61 2qt6 h THR 473 Ca 0.00 -0.29 -0.21 0.00 0.77 0.00 0.00 66.41 66.68 2qt6 h THR 473 Cb 0.75 0.09 0.01 0.00 -1.74 0.00 0.00 68.15 67.26 2qt6 h THR 473 CO 0.02 0.16 -0.76 0.58 0.37 0.00 0.00 175.52 175.89 2qt6 h VAL 474 N 0.86 1.32 -0.70 3.16 2.07 -1.83 -2.73 116.25 118.40 2qt6 h VAL 474 Ca 0.34 -2.03 0.05 0.00 0.82 0.00 0.00 66.70 65.88 2qt6 h VAL 474 Cb 0.16 2.23 -0.05 0.00 -1.52 0.00 0.00 31.29 32.11 2qt6 h VAL 474 CO -0.17 0.62 0.41 0.78 0.02 0.00 0.00 177.57 179.23 2qt6 h ASN 475 N 0.31 0.63 1.66 0.57 4.21 -1.77 -3.01 115.58 118.18 2qt6 h ASN 475 Ca -0.07 0.02 -0.07 0.00 1.21 0.00 0.00 56.30 57.39 2qt6 h ASN 475 Cb 1.41 -0.11 -0.01 0.00 -1.12 0.00 0.00 38.32 38.49 2qt6 h ASN 475 CO 0.15 0.42 -0.34 0.00 -1.29 0.00 0.00 177.43 176.37 2qt6 h ALA 476 N 1.34 0.78 -2.16 -0.83 0.00 -1.06 -3.39 119.26 113.94 2qt6 h ALA 476 Ca 0.30 -0.31 -0.57 0.00 0.00 0.00 0.00 54.91 54.34 2qt6 h ALA 476 Cb 0.13 -0.05 -0.41 0.00 0.00 0.00 0.00 17.79 17.46 2qt6 h ALA 476 CO -0.16 0.42 -0.80 0.09 0.00 0.00 0.00 179.25 178.80 2qt6 n ASN 477 N -3.18 2.93 -4.78 0.00 3.02 -1.03 -4.19 115.26 108.02 2qt6 n ASN 477 Ca 0.03 -3.33 -0.41 0.00 -0.03 0.00 0.00 54.58 50.83 2qt6 n ASN 477 Cb 0.67 -0.62 0.01 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 -2.62 3.97 -0.03 3.52 0.04 -1.25 -4.86 135.00 133.77 2qt6 s PRO 478 Ca 0.42 2.56 0.01 0.00 0.04 0.00 0.00 61.00 64.03 2qt6 s PRO 478 Cb 0.24 -2.88 -0.03 0.00 0.04 0.00 0.00 34.50 31.87 2qt6 s PRO 478 CO -0.08 -0.64 -0.02 0.14 0.04 0.00 0.00 177.00 176.44 2qt6 s VAL 479 N -1.14 4.03 0.65 -0.36 -7.23 -1.26 -4.95 120.40 110.14 2qt6 s VAL 479 Ca 0.55 -0.53 -0.12 0.00 -1.81 0.00 0.00 61.98 60.08 2qt6 s VAL 479 Cb -0.46 -2.74 -0.02 0.00 0.56 0.00 0.00 36.38 33.71 2qt6 s VAL 479 CO 0.62 0.47 1.04 -2.16 -0.31 0.00 0.00 175.10 174.76 2qt6 s PRO 480 N -1.26 3.28 0.27 4.82 0.04 -1.26 -4.89 135.00 136.00 2qt6 s PRO 480 Ca 0.17 0.91 -0.00 0.00 0.04 0.00 0.00 61.00 62.11 2qt6 s PRO 480 Cb -0.11 -2.04 0.54 0.00 0.04 0.00 0.00 34.50 32.93 2qt6 s PRO 480 CO 0.07 -0.83 1.79 0.37 0.04 0.00 0.00 177.00 178.44 2qt6 h GLN 481 N -0.35 0.75 -0.59 4.56 5.75 -1.99 -1.08 115.11 122.17 2qt6 h GLN 481 Ca -0.44 -0.05 -0.01 0.00 -0.15 0.00 0.00 58.65 58.00 2qt6 h GLN 481 Cb 1.20 -0.17 -0.03 0.00 1.07 0.00 0.00 27.48 29.55 2qt6 h GLN 481 CO 0.59 0.50 0.33 0.00 -2.65 0.00 0.00 178.83 177.59 2qt6 h ALA 482 N 1.55 1.47 -0.24 3.38 0.00 -1.99 -0.69 119.26 122.74 2qt6 h ALA 482 Ca 0.48 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 55.27 2qt6 h ALA 482 Cb 0.59 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 2qt6 h ALA 482 CO -0.32 0.44 0.03 2.35 0.00 0.00 0.00 179.25 181.75 2qt6 h TRP 483 N 0.81 0.43 -0.11 0.00 7.01 -1.59 -2.75 115.95 119.76 2qt6 h TRP 483 Ca 0.21 -0.06 0.03 0.00 2.11 0.00 0.00 58.89 61.18 2qt6 h TRP 483 Cb 0.01 -0.12 -0.00 0.00 -2.10 0.00 0.00 29.16 26.95 2qt6 h TRP 483 CO 0.00 0.54 0.10 0.77 -2.79 0.00 0.00 178.44 177.06 2qt6 h SER 484 N 0.20 0.00 0.99 2.65 0.02 -0.66 -2.01 113.55 114.75 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 0.35 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.89 2qt6 h SER 484 CO 0.01 0.00 -0.27 0.59 -1.14 0.00 0.00 176.83 176.02 2qt6 n ASN 485 N -4.12 0.51 -0.01 3.07 5.03 -0.35 -4.22 115.26 115.17 2qt6 n ASN 485 Ca -0.00 0.27 -0.11 0.00 0.87 0.00 0.00 54.58 55.61 2qt6 n ASN 485 Cb 0.21 -0.25 -0.05 0.00 -1.02 0.00 0.00 39.78 38.66 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 0.14 -0.25 3.41 3.38 -1.07 -2.65 115.31 118.26 2qt6 h LEU 486 Ca 0.00 -0.05 -0.05 0.00 0.09 0.00 0.00 57.88 57.87 2qt6 h LEU 486 Cb 0.63 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 2qt6 h LEU 486 CO 0.00 0.15 -0.05 0.00 0.09 0.00 0.00 178.44 178.63 2qt6 h PRO 488 N 0.23 1.10 -0.34 0.00 0.11 -1.78 0.13 132.00 131.45 2qt6 h PRO 488 Ca 0.07 -0.07 -0.03 0.00 0.11 0.00 0.00 66.00 66.08 2qt6 h PRO 488 Cb 0.51 -0.25 -0.01 0.00 0.11 0.00 0.00 31.00 31.36 2qt6 h PRO 488 CO 0.02 0.73 0.09 1.15 -0.21 0.00 0.00 178.00 179.78 2qt6 h THR 489 N 1.13 1.22 -0.45 -1.15 2.02 -1.25 -2.19 112.91 112.24 2qt6 h THR 489 Ca 0.37 -0.74 -0.03 0.00 0.77 0.00 0.00 66.41 66.78 2qt6 h THR 489 Cb 0.06 1.05 -0.02 0.00 -1.74 0.00 0.00 68.15 67.50 2qt6 h THR 489 CO -0.12 0.25 0.17 0.22 0.37 0.00 0.00 175.52 176.41 2qt6 h TYR 490 N 0.40 0.70 0.00 3.16 3.20 -0.46 -2.66 116.97 121.32 2qt6 h TYR 490 Ca 0.11 -0.06 -0.02 0.00 3.14 0.00 0.00 58.73 61.90 2qt6 h TYR 490 Cb 0.29 -0.21 -0.00 0.00 1.54 0.00 0.00 36.73 38.35 2qt6 h TYR 490 CO 0.01 0.61 -0.07 -0.44 -1.64 0.00 0.00 178.16 176.63 2qt6 h ASP 491 N 0.59 0.00 0.65 -2.11 3.32 -0.65 -2.06 116.42 116.16 2qt6 h ASP 491 Ca 0.15 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.20 2qt6 h ASP 491 Cb 0.22 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.77 2qt6 h ASP 491 CO -0.01 0.07 -0.07 0.00 -1.72 0.00 0.00 179.24 177.51 2qt6 n ALA 492 N -2.15 2.60 -1.78 3.45 0.00 -0.83 -4.91 120.51 116.89 2qt6 n ALA 492 Ca 0.00 -0.18 -0.36 0.00 0.00 0.00 0.00 53.44 52.91 2qt6 n ALA 492 Cb 0.32 -1.41 -0.02 0.00 0.00 0.00 0.00 19.45 18.34 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 -2.72 3.92 0.45 0.00 1.43 -0.78 -5.01 118.68 115.97 2qt6 s LEU 493 Ca 0.22 2.15 -0.25 0.00 -1.03 0.00 0.00 54.13 55.22 2qt6 s LEU 493 Cb 0.20 -4.40 -0.08 0.00 0.03 0.00 0.00 46.19 41.94 2qt6 s LEU 493 CO 0.51 -0.91 1.43 -0.70 0.23 0.00 0.00 176.35 176.91 2qt6 s GLU 494 N -2.94 3.69 0.42 1.70 -6.30 -1.26 -4.90 118.70 109.11 2qt6 s GLU 494 Ca 0.66 2.44 0.19 0.00 -2.50 0.00 0.00 54.97 55.75 2qt6 s GLU 494 Cb -0.24 -2.67 1.11 0.00 0.00 0.00 0.00 34.13 32.34 2qt6 s GLU 494 CO 0.28 -0.82 1.84 -1.35 0.02 0.00 0.00 175.26 175.24 2qt6 h PRO 495 N 2.34 0.37 0.00 4.30 0.11 -1.97 0.12 132.00 137.28 2qt6 h PRO 495 Ca -0.51 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.58 2qt6 h PRO 495 Cb 1.27 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2qt6 h PRO 495 CO 0.61 0.25 0.00 -1.13 -0.21 0.00 0.00 178.00 177.52 2qt6 n SER 496 N -4.51 0.00 -0.87 -2.05 3.41 -1.26 -1.69 113.62 106.64 2qt6 n SER 496 Ca 0.20 0.25 0.10 0.00 -0.26 0.00 0.00 58.87 59.16 2qt6 n SER 496 Cb 0.75 -0.37 0.14 0.00 -0.26 0.00 0.00 64.21 64.46 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 -1.37 2.91 0.00 4.04 3.02 0.43 -4.80 115.26 119.48 2qt6 n ASN 497 Ca 0.06 -1.86 0.10 0.00 -0.03 0.00 0.00 54.58 52.85 2qt6 n ASN 497 Cb 0.14 -0.12 0.62 0.00 -0.61 0.00 0.00 39.78 39.81 2qt6 n ASN 497 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02