#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k59 n HIS 0 N 0.00 2.51 -3.65 6.00 -0.00 -1.25 -0.55 115.22 118.27 3k59 n HIS 0 Ca 0.00 0.14 -0.10 0.00 0.46 0.00 0.00 57.72 58.22 3k59 n HIS 0 Cb 0.00 -2.61 -0.04 0.00 -0.12 0.00 0.00 29.99 27.21 3k59 n HIS 0 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 3k59 s MET 1 N 1.14 1.13 -0.01 1.57 0.23 -0.76 -4.90 119.30 117.71 3k59 s MET 1 Ca 0.77 -0.74 0.03 0.00 -1.03 0.00 0.00 55.69 54.73 3k59 s MET 1 Cb -0.59 0.48 -0.01 0.00 -1.53 0.00 0.00 34.83 33.18 3k59 s MET 1 CO 0.35 -0.45 -0.11 0.00 -2.03 0.00 0.00 175.02 172.78 3k59 s ALA 2 N -3.82 0.93 0.03 3.16 0.00 -1.26 -2.78 121.76 118.02 3k59 s ALA 2 Ca 0.04 -0.48 -0.23 0.00 0.00 0.00 0.00 51.96 51.29 3k59 s ALA 2 Cb 0.01 -0.24 0.05 0.00 0.00 0.00 0.00 23.12 22.95 3k59 s ALA 2 CO -0.10 0.23 0.52 -1.14 0.00 0.00 0.00 175.76 175.27 3k59 s GLN 3 N -0.27 1.00 0.16 0.00 0.74 -0.20 -4.97 119.66 116.12 3k59 s GLN 3 Ca 0.04 -0.16 -0.18 0.00 0.05 0.00 0.00 55.36 55.11 3k59 s GLN 3 Cb -0.04 0.46 -0.07 0.00 1.10 0.00 0.00 33.01 34.45 3k59 s GLN 3 CO -0.00 -0.35 0.63 0.00 -0.55 0.00 0.00 175.29 175.02 3k59 s ALA 4 N -2.16 3.51 0.31 1.58 0.00 -1.26 -0.06 121.76 123.68 3k59 s ALA 4 Ca -0.07 0.04 -0.17 0.00 0.00 0.00 0.00 51.96 51.76 3k59 s ALA 4 Cb -0.01 -2.68 0.03 0.00 0.00 0.00 0.00 23.12 20.46 3k59 s ALA 4 CO 0.01 0.39 0.69 0.20 0.00 0.00 0.00 175.76 177.05 3k59 s GLY 5 N -1.54 0.23 -0.08 0.00 0.00 0.37 -4.52 107.32 101.77 3k59 s GLY 5 Ca 0.38 -0.59 -0.01 0.00 0.00 0.00 0.00 44.72 44.50 3k59 s GLY 5 CO 0.20 -0.28 -0.02 -0.12 0.00 0.00 0.00 173.10 172.87 3k59 s PHE 6 N -3.39 0.91 0.13 1.90 5.36 -0.39 -0.44 117.98 122.06 3k59 s PHE 6 Ca 0.15 -0.34 -0.31 0.00 -0.96 0.00 0.00 56.93 55.47 3k59 s PHE 6 Cb -0.05 -0.92 -0.10 0.00 -0.34 0.00 0.00 43.02 41.62 3k59 s PHE 6 CO 0.09 -0.37 1.66 0.42 -1.46 0.00 0.00 175.22 175.56 3k59 s ILE 7 N 1.81 2.69 -0.23 3.12 1.01 -0.32 -0.80 121.20 128.49 3k59 s ILE 7 Ca 0.04 0.35 -0.13 0.00 0.00 0.00 0.00 60.65 60.90 3k59 s ILE 7 Cb -0.12 -3.22 -0.09 0.00 0.01 0.00 0.00 42.46 39.03 3k59 s ILE 7 CO -0.06 0.01 -0.32 0.18 0.00 0.00 0.00 174.94 174.76 3k59 n LEU 8 N 4.83 1.78 -4.15 2.97 4.77 0.74 -4.85 117.00 123.09 3k59 n LEU 8 Ca 0.15 0.31 -0.14 0.00 -0.03 0.00 0.00 56.01 56.30 3k59 n LEU 8 Cb 0.39 -0.73 -0.11 0.00 -2.33 0.00 0.00 43.42 40.64 3k59 n LEU 8 CO 0.63 0.32 -0.42 0.42 -1.33 0.00 0.00 177.39 177.01 3k59 s THR 9 N -2.54 0.86 -0.03 -5.08 -4.23 -1.14 -4.74 115.64 98.74 3k59 s THR 9 Ca -0.33 -1.48 0.07 0.00 -1.18 0.00 0.00 61.69 58.77 3k59 s THR 9 Cb 0.11 -1.16 -0.02 0.00 1.34 0.00 0.00 72.50 72.76 3k59 s THR 9 CO 0.43 -0.49 -0.22 -0.13 -0.54 0.00 0.00 174.62 173.66 3k59 s ARG 10 N -2.42 2.25 0.02 3.99 0.52 -1.26 -1.35 118.95 120.70 3k59 s ARG 10 Ca 0.01 -0.86 -0.07 0.00 -0.52 0.00 0.00 55.73 54.29 3k59 s ARG 10 Cb -0.05 -2.15 -0.00 0.00 0.52 0.00 0.00 34.95 33.27 3k59 s ARG 10 CO 0.00 0.57 0.14 -1.01 0.02 0.00 0.00 175.30 175.02 3k59 s HIS 11 N -0.62 0.09 0.00 -0.53 3.76 0.47 -5.00 115.29 113.46 3k59 s HIS 11 Ca 0.10 -0.28 -0.22 0.00 -0.15 0.00 0.00 55.06 54.51 3k59 s HIS 11 Cb -0.10 -0.07 0.05 0.00 1.11 0.00 0.00 32.58 33.56 3k59 s HIS 11 CO -0.00 -0.35 0.49 1.67 -0.85 0.00 0.00 174.74 175.70 3k59 s TRP 12 N -2.05 -0.39 -0.27 1.40 1.48 -1.26 -0.86 118.94 116.99 3k59 s TRP 12 Ca -0.09 0.55 -0.25 0.00 -1.06 0.00 0.00 56.10 55.24 3k59 s TRP 12 Cb -0.04 0.27 0.07 0.00 -1.16 0.00 0.00 33.47 32.61 3k59 s TRP 12 CO -0.02 -0.55 0.73 -0.98 -4.06 0.00 0.00 176.95 172.07 3k59 s ARG 13 N -1.82 0.84 0.37 3.25 1.70 -0.51 -4.99 118.95 117.77 3k59 s ARG 13 Ca -0.09 0.97 -0.24 0.00 -0.47 0.00 0.00 55.73 55.90 3k59 s ARG 13 Cb -0.02 0.41 -0.10 0.00 -0.57 0.00 0.00 34.95 34.67 3k59 s ARG 13 CO 0.03 -0.10 0.96 -0.51 -1.08 0.00 0.00 175.30 174.60 3k59 s ASP 14 N 0.34 7.13 0.23 -2.89 1.01 -1.26 -0.83 116.67 120.40 3k59 s ASP 14 Ca -0.00 1.83 -0.04 0.00 0.71 0.00 0.00 52.55 55.06 3k59 s ASP 14 Cb -0.05 -2.57 -0.03 0.00 1.01 0.00 0.00 42.92 41.28 3k59 s ASP 14 CO 0.01 -0.22 0.25 0.42 0.21 0.00 0.00 175.17 175.84 3k59 s THR 15 N -1.77 0.00 0.45 -1.27 -4.23 -0.79 -4.91 115.64 103.12 3k59 s THR 15 Ca 0.55 -1.82 0.14 0.00 -1.18 0.00 0.00 61.69 59.37 3k59 s THR 15 Cb -0.17 -2.43 0.19 0.00 1.34 0.00 0.00 72.50 71.44 3k59 s THR 15 CO 0.22 0.00 2.01 -0.65 -0.54 0.00 0.00 174.62 175.65 3k59 h PRO 16 N 2.46 0.05 -0.01 3.99 0.11 -1.99 -1.99 132.00 134.62 3k59 h PRO 16 Ca -0.32 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.78 3k59 h PRO 16 Cb 1.25 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3k59 h PRO 16 CO 0.46 0.19 -0.08 1.04 -0.21 0.00 0.00 178.00 179.40 3k59 n GLN 17 N -4.35 1.20 0.00 1.05 3.00 -1.26 -5.03 117.38 111.99 3k59 n GLN 17 Ca -0.02 -0.59 0.00 0.00 -0.01 0.00 0.00 57.00 56.38 3k59 n GLN 17 Cb 0.22 -1.49 0.00 0.00 0.00 0.00 0.00 30.24 28.97 3k59 n GLN 17 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3k59 n GLY 18 N 1.21 1.43 3.64 1.08 0.00 -0.75 -4.86 105.19 106.93 3k59 n GLY 18 Ca 0.17 -2.13 -0.42 0.00 0.00 0.00 0.00 46.02 43.64 3k59 n GLY 18 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3k59 s THR 19 N -1.26 4.72 -0.11 2.61 2.01 -1.23 -1.88 115.64 120.50 3k59 s THR 19 Ca 0.00 1.58 -0.25 0.00 0.31 0.00 0.00 61.69 63.33 3k59 s THR 19 Cb 0.00 -4.23 -0.02 0.00 0.01 0.00 0.00 72.50 68.26 3k59 s THR 19 CO 0.00 -0.24 0.79 -1.61 -0.69 0.00 0.00 174.62 172.87 3k59 s GLU 20 N 3.12 4.37 -0.07 4.92 2.02 -0.01 -1.76 118.70 131.30 3k59 s GLU 20 Ca 0.38 0.99 0.05 0.00 0.02 0.00 0.00 54.97 56.41 3k59 s GLU 20 Cb -0.14 -3.52 -0.01 0.00 0.10 0.00 0.00 34.13 30.56 3k59 s GLU 20 CO 0.10 -0.15 -0.23 0.08 0.02 0.00 0.00 175.26 175.08 3k59 s VAL 21 N 1.52 2.20 0.06 2.63 1.01 -1.26 -1.43 120.40 125.14 3k59 s VAL 21 Ca 0.39 -1.01 -0.05 0.00 0.00 0.00 0.00 61.98 61.32 3k59 s VAL 21 Cb -0.17 -1.82 -0.02 0.00 0.00 0.00 0.00 36.38 34.37 3k59 s VAL 21 CO 0.16 0.57 0.07 -0.94 0.00 0.00 0.00 175.10 174.96 3k59 s SER 22 N -0.12 0.30 0.02 3.32 1.04 -0.04 -1.27 113.70 116.95 3k59 s SER 22 Ca -0.04 -0.80 0.01 0.00 0.48 0.00 0.00 55.95 55.59 3k59 s SER 22 Cb -0.14 0.26 -0.02 0.00 0.10 0.00 0.00 66.02 66.22 3k59 s SER 22 CO 0.04 -0.64 -0.04 -0.36 0.98 0.00 0.00 173.24 173.22 3k59 s PHE 23 N -3.74 0.35 -0.19 5.02 0.08 0.14 -0.40 117.98 119.24 3k59 s PHE 23 Ca 0.05 -0.49 -0.03 0.00 0.12 0.00 0.00 56.93 56.57 3k59 s PHE 23 Cb 0.06 -0.23 -0.02 0.00 -0.57 0.00 0.00 43.02 42.26 3k59 s PHE 23 CO -0.10 -0.15 -0.05 -1.58 -0.10 0.00 0.00 175.22 173.24 3k59 s TRP 24 N -1.36 2.96 0.10 0.36 0.52 -0.46 -0.44 118.94 120.62 3k59 s TRP 24 Ca -0.14 -0.67 0.07 0.00 0.02 0.00 0.00 56.10 55.38 3k59 s TRP 24 Cb -0.09 -2.03 -0.04 0.00 -1.15 0.00 0.00 33.47 30.16 3k59 s TRP 24 CO -0.01 -0.33 -0.09 -0.51 0.02 0.00 0.00 176.95 176.03 3k59 s LEU 25 N 0.98 3.10 -0.21 2.99 1.43 0.04 -0.18 118.68 126.83 3k59 s LEU 25 Ca 0.00 -0.36 -0.11 0.00 -1.03 0.00 0.00 54.13 52.64 3k59 s LEU 25 Cb -0.15 -1.88 -0.05 0.00 0.03 0.00 0.00 46.19 44.14 3k59 s LEU 25 CO 0.01 0.18 0.17 0.00 0.23 0.00 0.00 176.35 176.94 3k59 s ALA 26 N -1.22 3.65 0.36 4.21 0.00 0.02 -0.90 121.76 127.87 3k59 s ALA 26 Ca 0.22 -0.72 0.03 0.00 0.00 0.00 0.00 51.96 51.50 3k59 s ALA 26 Cb -0.11 -2.27 -0.05 0.00 0.00 0.00 0.00 23.12 20.69 3k59 s ALA 26 CO 0.14 0.01 0.09 0.95 0.00 0.00 0.00 175.76 176.95 3k59 s THR 27 N 0.65 0.92 0.54 0.00 -4.23 -0.49 -1.26 115.64 111.77 3k59 s THR 27 Ca 0.09 -2.00 0.33 0.00 -1.18 0.00 0.00 61.69 58.94 3k59 s THR 27 Cb -0.12 -2.59 0.37 0.00 1.34 0.00 0.00 72.50 71.49 3k59 s THR 27 CO 0.01 0.00 2.23 0.44 -0.54 0.00 0.00 174.62 176.76 3k59 h ASP 28 N 1.98 0.00 -0.47 3.99 3.32 -1.93 -1.86 116.42 121.45 3k59 h ASP 28 Ca -0.39 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.60 3k59 h ASP 28 Cb 1.26 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.77 3k59 h ASP 28 CO 0.64 0.03 0.06 0.59 -1.72 0.00 0.00 179.24 178.84 3k59 n ASN 29 N -3.57 4.52 0.00 6.45 4.13 -1.26 -5.00 115.26 120.54 3k59 n ASN 29 Ca -0.03 -3.11 0.00 0.00 1.68 0.00 0.00 54.58 53.13 3k59 n ASN 29 Cb 0.13 -0.64 0.00 0.00 -1.54 0.00 0.00 39.78 37.73 3k59 n ASN 29 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3k59 n GLY 30 N -0.17 -1.31 3.77 7.41 0.00 -0.70 -5.01 105.19 109.19 3k59 n GLY 30 Ca 0.29 -2.11 -0.37 0.00 0.00 0.00 0.00 46.02 43.83 3k59 n GLY 30 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3k59 s PRO 31 N 0.00 3.78 -0.05 1.61 0.04 -1.26 -1.40 135.00 137.72 3k59 s PRO 31 Ca 0.00 1.76 -0.02 0.00 0.04 0.00 0.00 61.00 62.78 3k59 s PRO 31 Cb 0.00 -2.41 0.03 0.00 0.04 0.00 0.00 34.50 32.16 3k59 s PRO 31 CO 0.00 -0.53 0.07 -1.17 0.04 0.00 0.00 177.00 175.41 3k59 s LEU 32 N -3.00 0.12 0.09 -3.56 2.96 -0.08 -4.93 118.68 110.28 3k59 s LEU 32 Ca 0.63 0.09 -0.24 0.00 -0.22 0.00 0.00 54.13 54.39 3k59 s LEU 32 Cb -0.28 -0.10 -0.06 0.00 0.50 0.00 0.00 46.19 46.24 3k59 s LEU 32 CO 0.34 -0.25 0.74 -1.58 -1.32 0.00 0.00 176.35 174.28 3k59 s GLN 33 N 2.18 4.48 -0.08 1.98 0.74 -1.26 -0.78 119.66 126.92 3k59 s GLN 33 Ca 0.05 1.04 0.02 0.00 0.05 0.00 0.00 55.36 56.52 3k59 s GLN 33 Cb -0.12 -3.31 0.01 0.00 1.10 0.00 0.00 33.01 30.69 3k59 s GLN 33 CO -0.03 0.43 -0.14 0.08 -0.55 0.00 0.00 175.29 175.08 3k59 s VAL 34 N -0.58 1.32 -0.07 1.34 1.01 0.41 -1.41 120.40 122.43 3k59 s VAL 34 Ca 0.36 -0.58 0.04 0.00 0.00 0.00 0.00 61.98 61.80 3k59 s VAL 34 Cb -0.21 -1.19 0.00 0.00 0.00 0.00 0.00 36.38 34.98 3k59 s VAL 34 CO 0.23 0.40 -0.18 -0.89 0.00 0.00 0.00 175.10 174.66 3k59 s THR 35 N 0.69 1.57 0.66 3.92 2.01 0.12 -0.69 115.64 123.92 3k59 s THR 35 Ca -0.14 -0.76 -0.04 0.00 0.31 0.00 0.00 61.69 61.07 3k59 s THR 35 Cb -0.16 -1.37 0.06 0.00 0.01 0.00 0.00 72.50 71.03 3k59 s THR 35 CO 0.04 0.45 0.94 -0.76 -0.69 0.00 0.00 174.62 174.59 3k59 s LEU 36 N 0.33 2.97 0.75 4.42 1.43 -0.40 -2.22 118.68 125.96 3k59 s LEU 36 Ca -0.12 0.25 -0.11 0.00 -1.03 0.00 0.00 54.13 53.12 3k59 s LEU 36 Cb -0.15 -2.96 0.04 0.00 0.03 0.00 0.00 46.19 43.15 3k59 s LEU 36 CO 0.05 -1.48 1.09 0.00 0.23 0.00 0.00 176.35 176.24 3k59 s ALA 37 N -3.09 2.56 0.30 4.21 0.00 -1.26 -4.57 121.76 119.90 3k59 s ALA 37 Ca 0.60 -0.21 -0.29 0.00 0.00 0.00 0.00 51.96 52.06 3k59 s ALA 37 Cb -0.10 -3.09 -0.13 0.00 0.00 0.00 0.00 23.12 19.80 3k59 s ALA 37 CO 0.43 -1.42 1.23 -2.30 0.00 0.00 0.00 175.76 173.70 3k59 n PRO 38 N -3.22 1.85 -4.91 0.00 -0.02 -1.26 -4.68 135.00 122.77 3k59 n PRO 38 Ca 0.07 0.65 -0.33 0.00 -2.02 0.00 0.00 63.50 61.88 3k59 n PRO 38 Cb 0.56 -2.19 -0.15 0.00 -0.02 0.00 0.00 33.50 31.70 3k59 n PRO 38 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 3k59 s GLN 39 N -1.42 3.20 0.52 -0.52 -1.52 -0.72 -4.89 119.66 114.30 3k59 s GLN 39 Ca 0.60 -0.74 -0.18 0.00 -1.95 0.00 0.00 55.36 53.09 3k59 s GLN 39 Cb -0.63 -2.51 -0.07 0.00 -0.22 0.00 0.00 33.01 29.57 3k59 s GLN 39 CO 0.59 0.25 1.02 -1.21 -0.25 0.00 0.00 175.29 175.69 3k59 s GLU 40 N 0.23 3.74 -0.15 2.91 2.02 -1.26 -4.16 118.70 122.03 3k59 s GLU 40 Ca -0.10 1.19 -0.07 0.00 0.02 0.00 0.00 54.97 56.00 3k59 s GLU 40 Cb -0.16 -2.10 -0.04 0.00 0.10 0.00 0.00 34.13 31.93 3k59 s GLU 40 CO 0.06 -0.46 0.11 -1.12 0.02 0.00 0.00 175.26 173.87 3k59 s SER 41 N -2.50 6.09 0.07 -0.19 0.01 0.23 -4.91 113.70 112.50 3k59 s SER 41 Ca 0.64 0.31 0.07 0.00 1.31 0.00 0.00 55.95 58.27 3k59 s SER 41 Cb -0.14 -1.99 -0.03 0.00 0.21 0.00 0.00 66.02 64.07 3k59 s SER 41 CO 0.27 0.31 -0.18 0.54 0.41 0.00 0.00 173.24 174.59 3k59 s VAL 42 N -0.42 1.43 0.20 3.43 0.11 -1.26 -0.31 120.40 123.59 3k59 s VAL 42 Ca 0.11 -1.28 -0.04 0.00 -2.93 0.00 0.00 61.98 57.84 3k59 s VAL 42 Cb -0.12 -1.30 -0.03 0.00 -1.53 0.00 0.00 36.38 33.40 3k59 s VAL 42 CO 0.02 -0.01 0.20 0.00 -3.33 0.00 0.00 175.10 171.97 3k59 s ALA 43 N -1.02 0.77 0.07 1.54 0.00 -0.64 -4.57 121.76 117.91 3k59 s ALA 43 Ca 0.04 -1.45 0.07 0.00 0.00 0.00 0.00 51.96 50.61 3k59 s ALA 43 Cb -0.09 1.22 -0.03 0.00 0.00 0.00 0.00 23.12 24.22 3k59 s ALA 43 CO 0.02 -0.63 -0.18 -0.06 0.00 0.00 0.00 175.76 174.91 3k59 s PHE 44 N -4.10 1.57 -0.01 0.00 0.08 -0.23 0.12 117.98 115.41 3k59 s PHE 44 Ca 0.32 -0.41 0.02 0.00 0.12 0.00 0.00 56.93 56.98 3k59 s PHE 44 Cb 0.05 -0.89 0.00 0.00 -0.57 0.00 0.00 43.02 41.61 3k59 s PHE 44 CO 0.09 0.12 -0.06 0.42 -0.10 0.00 0.00 175.22 175.69 3k59 s ILE 45 N -1.06 0.56 0.35 0.64 1.01 -0.36 0.26 121.20 122.59 3k59 s ILE 45 Ca 0.04 -0.26 -0.29 0.00 0.00 0.00 0.00 60.65 60.14 3k59 s ILE 45 Cb -0.09 -0.50 -0.11 0.00 0.01 0.00 0.00 42.46 41.77 3k59 s ILE 45 CO 0.03 0.18 1.54 -2.84 0.00 0.00 0.00 174.94 173.84 3k59 s PRO 46 N 0.09 4.10 0.28 2.79 0.02 -1.26 0.29 135.00 141.31 3k59 s PRO 46 Ca -0.01 2.60 0.00 0.00 0.02 0.00 0.00 61.00 63.61 3k59 s PRO 46 Cb -0.06 -2.98 0.53 0.00 0.02 0.00 0.00 34.50 32.01 3k59 s PRO 46 CO -0.00 -0.59 1.83 0.00 -0.33 0.00 0.00 177.00 177.91 3k59 h ALA 47 N 3.71 1.45 0.00 -1.55 0.00 -1.12 -0.14 119.26 121.62 3k59 h ALA 47 Ca -0.49 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.44 3k59 h ALA 47 Cb 1.23 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.83 3k59 h ALA 47 CO 0.70 0.20 0.00 -0.40 0.00 0.00 0.00 179.25 179.75 3k59 n ASP 48 N -4.65 0.46 -0.93 0.00 5.75 -1.26 -1.57 116.55 114.36 3k59 n ASP 48 Ca 0.18 0.64 0.11 0.00 -0.01 0.00 0.00 54.79 55.71 3k59 n ASP 48 Cb 0.34 -0.73 0.13 0.00 -1.03 0.00 0.00 41.12 39.84 3k59 n ASP 48 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3k59 n GLN 49 N -2.05 2.12 -0.32 0.11 6.02 -0.08 -4.51 117.38 118.68 3k59 n GLN 49 Ca 0.01 -1.94 -0.04 0.00 -0.01 0.00 0.00 57.00 55.03 3k59 n GLN 49 Cb 0.15 -1.43 0.09 0.00 1.02 0.00 0.00 30.24 30.07 3k59 n GLN 49 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 3k59 h VAL 50 N 4.11 1.26 -0.54 5.09 2.07 -1.15 -2.01 116.25 125.06 3k59 h VAL 50 Ca 0.00 -0.68 0.03 0.00 0.82 0.00 0.00 66.70 66.87 3k59 h VAL 50 Cb 0.90 0.11 -0.04 0.00 -1.52 0.00 0.00 31.29 30.74 3k59 h VAL 50 CO 0.00 0.30 0.32 -0.65 0.02 0.00 0.00 177.57 177.56 3k59 h PRO 51 N 1.23 0.61 -0.65 1.57 0.11 -1.79 0.59 132.00 133.67 3k59 h PRO 51 Ca 0.30 -0.04 -0.07 0.00 0.11 0.00 0.00 66.00 66.31 3k59 h PRO 51 Cb 0.07 -0.14 -0.03 0.00 0.11 0.00 0.00 31.00 31.01 3k59 h PRO 51 CO -0.04 0.41 0.14 -0.09 -0.21 0.00 0.00 178.00 178.20 3k59 h ARG 52 N 0.63 1.04 -1.01 1.05 2.43 -1.81 -2.17 114.38 114.55 3k59 h ARG 52 Ca 0.22 -0.25 0.01 0.00 -0.81 0.00 0.00 59.98 59.16 3k59 h ARG 52 Cb 0.04 -0.14 -0.05 0.00 -0.42 0.00 0.00 29.97 29.40 3k59 h ARG 52 CO -0.11 0.93 0.67 0.00 -1.51 0.00 0.00 179.97 179.96 3k59 h ALA 53 N 1.16 1.28 -0.18 2.80 0.00 -0.60 -0.52 119.26 123.20 3k59 h ALA 53 Ca 0.21 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 3k59 h ALA 53 Cb 0.37 -0.40 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3k59 h ALA 53 CO 0.00 0.65 -0.16 1.96 0.00 0.00 0.00 179.25 181.70 3k59 h GLN 54 N 1.35 0.30 -0.31 0.00 4.20 -0.42 -0.61 115.11 119.62 3k59 h GLN 54 Ca 0.37 -0.08 -0.09 0.00 0.06 0.00 0.00 58.65 58.91 3k59 h GLN 54 Cb -0.14 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.60 3k59 h GLN 54 CO -0.08 0.46 -0.16 0.45 -0.67 0.00 0.00 178.83 178.83 3k59 h HIS 55 N 0.28 0.76 -0.61 2.96 3.86 -0.56 -1.87 115.15 119.96 3k59 h HIS 55 Ca 0.05 -0.19 -0.05 0.00 -1.16 0.00 0.00 60.37 59.02 3k59 h HIS 55 Cb 0.46 -0.17 -0.03 0.00 1.06 0.00 0.00 27.41 28.73 3k59 h HIS 55 CO 0.01 0.89 0.18 0.82 0.86 0.00 0.00 177.93 180.68 3k59 h ILE 56 N 0.41 1.23 -0.45 2.45 2.04 -0.82 -2.80 117.51 119.56 3k59 h ILE 56 Ca 0.07 -0.81 0.00 0.00 1.00 0.00 0.00 64.86 65.11 3k59 h ILE 56 Cb 0.69 0.58 0.00 0.00 -0.74 0.00 0.00 36.82 37.35 3k59 h ILE 56 CO 0.05 0.31 0.00 0.18 0.00 0.00 0.00 178.15 178.69 3k59 n LEU 57 N -4.28 3.20 -4.69 1.44 4.77 -0.27 -4.95 117.00 112.22 3k59 n LEU 57 Ca 0.05 -1.61 -0.44 0.00 -0.03 0.00 0.00 56.01 53.98 3k59 n LEU 57 Cb 0.21 -0.44 -0.04 0.00 -2.33 0.00 0.00 43.42 40.83 3k59 n LEU 57 CO 0.40 0.60 1.38 1.67 -1.33 0.00 0.00 177.39 180.11 3k59 n GLN 58 N 0.75 2.56 0.00 3.23 -0.06 -0.72 -1.41 117.38 121.73 3k59 n GLN 58 Ca 0.17 0.93 0.00 0.00 -2.00 0.00 0.00 57.00 56.10 3k59 n GLN 58 Cb 0.59 -2.77 0.00 0.00 -4.06 0.00 0.00 30.24 23.99 3k59 n GLN 58 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 3k59 n GLY 59 N 3.97 0.77 3.87 1.69 0.00 -1.26 -5.07 105.19 109.16 3k59 n GLY 59 Ca 0.18 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.89 3k59 n GLY 59 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3k59 s GLU 60 N -0.80 3.77 0.25 1.61 0.41 -0.50 -5.09 118.70 118.35 3k59 s GLU 60 Ca 0.00 0.63 0.01 0.00 -0.41 0.00 0.00 54.97 55.20 3k59 s GLU 60 Cb 0.00 -2.26 -0.05 0.00 -1.78 0.00 0.00 34.13 30.04 3k59 s GLU 60 CO 0.00 -0.22 0.10 -0.65 -0.49 0.00 0.00 175.26 174.00 3k59 s GLN 61 N -4.26 1.40 -0.38 1.61 -0.21 -1.26 -4.91 119.66 111.65 3k59 s GLN 61 Ca 0.54 -1.75 -0.01 0.00 0.02 0.00 0.00 55.36 54.15 3k59 s GLN 61 Cb -0.10 -0.19 0.00 0.00 1.00 0.00 0.00 33.01 33.72 3k59 s GLN 61 CO 0.37 -0.32 0.19 0.41 -2.12 0.00 0.00 175.29 173.82 3k59 n GLY 62 N -0.45 0.42 3.64 3.09 0.00 -1.26 -5.01 105.19 105.62 3k59 n GLY 62 Ca 0.00 -0.53 -0.09 0.00 0.00 0.00 0.00 46.02 45.41 3k59 n GLY 62 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3k59 s PHE 63 N -2.77 -0.02 0.04 1.61 -0.12 -1.26 -2.98 117.98 112.48 3k59 s PHE 63 Ca 0.09 -0.36 -0.17 0.00 -0.05 0.00 0.00 56.93 56.44 3k59 s PHE 63 Cb -0.04 0.44 0.03 0.00 -0.63 0.00 0.00 43.02 42.82 3k59 s PHE 63 CO 0.11 -1.03 0.39 -0.98 -0.05 0.00 0.00 175.22 173.66 3k59 s ARG 64 N -3.92 0.89 -0.23 1.99 1.70 -0.67 -4.99 118.95 113.72 3k59 s ARG 64 Ca 0.13 -0.38 0.02 0.00 -0.47 0.00 0.00 55.73 55.03 3k59 s ARG 64 Cb -0.02 0.40 0.05 0.00 -0.57 0.00 0.00 34.95 34.80 3k59 s ARG 64 CO 0.03 -0.30 -0.11 -0.51 -1.08 0.00 0.00 175.30 173.33 3k59 s LEU 65 N -1.98 2.76 0.00 -1.89 1.43 -1.26 -0.80 118.68 116.95 3k59 s LEU 65 Ca -0.06 -1.10 0.04 0.00 -1.03 0.00 0.00 54.13 51.98 3k59 s LEU 65 Cb -0.01 -1.38 -0.01 0.00 0.03 0.00 0.00 46.19 44.82 3k59 s LEU 65 CO -0.02 -0.16 -0.13 0.42 0.23 0.00 0.00 176.35 176.69 3k59 s THR 66 N 1.27 1.06 0.34 5.49 -4.23 -0.13 -4.91 115.64 114.53 3k59 s THR 66 Ca -0.04 -0.67 -0.29 0.00 -1.18 0.00 0.00 61.69 59.51 3k59 s THR 66 Cb -0.18 -0.91 -0.10 0.00 1.34 0.00 0.00 72.50 72.65 3k59 s THR 66 CO -0.07 0.23 1.36 -2.16 -0.54 0.00 0.00 174.62 173.44 3k59 s PRO 67 N -0.51 4.28 0.19 3.99 0.04 -1.26 0.61 135.00 142.34 3k59 s PRO 67 Ca 0.04 2.32 0.06 0.00 0.04 0.00 0.00 61.00 63.46 3k59 s PRO 67 Cb -0.06 -3.04 -0.05 0.00 0.04 0.00 0.00 34.50 31.39 3k59 s PRO 67 CO -0.00 -0.29 -0.12 -0.51 0.04 0.00 0.00 177.00 176.12 3k59 s LEU 68 N -1.81 2.53 -1.32 -3.56 1.43 -0.99 -4.82 118.68 110.13 3k59 s LEU 68 Ca 0.50 -1.03 -0.06 0.00 -1.03 0.00 0.00 54.13 52.52 3k59 s LEU 68 Cb -0.42 -0.54 0.10 0.00 0.03 0.00 0.00 46.19 45.36 3k59 s LEU 68 CO 0.55 -0.25 2.46 0.00 0.23 0.00 0.00 176.35 179.34 3k59 n ALA 69 N -0.32 6.88 -2.23 4.21 0.00 -1.26 -4.50 120.51 123.28 3k59 n ALA 69 Ca -0.09 -3.99 -0.08 0.00 0.00 0.00 0.00 53.44 49.28 3k59 n ALA 69 Cb 0.61 -2.81 -0.10 0.00 0.00 0.00 0.00 19.45 17.15 3k59 n ALA 69 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3k59 s LEU 70 N -1.91 2.46 0.12 0.00 1.43 -1.26 -4.83 118.68 114.69 3k59 s LEU 70 Ca 0.56 -0.93 0.02 0.00 -1.03 0.00 0.00 54.13 52.75 3k59 s LEU 70 Cb 0.19 0.11 -0.04 0.00 0.03 0.00 0.00 46.19 46.48 3k59 s LEU 70 CO -0.10 -0.52 -0.06 -0.54 0.23 0.00 0.00 176.35 175.36 3k59 s LYS 71 N -3.56 0.92 0.74 1.70 1.02 -0.12 -1.95 119.74 118.50 3k59 s LYS 71 Ca 0.05 -1.39 -0.01 0.00 0.02 0.00 0.00 55.97 54.63 3k59 s LYS 71 Cb 0.05 -0.28 0.14 0.00 -0.52 0.00 0.00 37.83 37.21 3k59 s LYS 71 CO -0.07 -0.03 1.02 0.16 -0.92 0.00 0.00 175.35 175.51 3k59 s ASP 72 N -3.09 4.24 0.00 2.83 1.47 -0.47 -1.28 116.67 120.38 3k59 s ASP 72 Ca 0.15 -0.37 0.09 0.00 1.18 0.00 0.00 52.55 53.60 3k59 s ASP 72 Cb 0.05 0.03 0.40 0.00 -0.34 0.00 0.00 42.92 43.06 3k59 s ASP 72 CO -0.02 -1.94 1.26 0.49 0.68 0.00 0.00 175.17 175.64 3k59 n PHE 73 N -2.90 0.00 0.39 2.11 3.01 -1.26 -0.36 117.46 118.45 3k59 n PHE 73 Ca 0.15 0.00 0.11 0.00 1.01 0.00 0.00 57.45 58.72 3k59 n PHE 73 Cb 0.61 -0.45 0.27 0.00 -0.01 0.00 0.00 39.48 39.89 3k59 n PHE 73 CO 0.00 0.00 0.00 0.72 1.01 0.00 0.00 176.76 178.49 3k59 n HIS 74 N -1.45 0.58 -1.59 1.38 8.25 -1.26 -4.93 115.22 116.20 3k59 n HIS 74 Ca 0.03 -0.29 -0.12 0.00 -0.26 0.00 0.00 57.72 57.07 3k59 n HIS 74 Cb 0.10 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.17 3k59 n HIS 74 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 3k59 n ARG 75 N 1.18 -0.90 -3.41 -0.41 1.74 0.52 -5.01 116.66 110.38 3k59 n ARG 75 Ca 0.19 0.85 -0.37 0.00 -0.77 0.00 0.00 57.85 57.75 3k59 n ARG 75 Cb 0.51 -4.92 -0.06 0.00 -1.02 0.00 0.00 32.46 26.97 3k59 n ARG 75 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 3k59 s GLN 76 N -3.46 4.27 0.59 5.56 2.00 -1.26 -4.81 119.66 122.55 3k59 s GLN 76 Ca 0.00 0.32 -0.20 0.00 -2.00 0.00 0.00 55.36 53.49 3k59 s GLN 76 Cb 0.00 -3.41 -0.04 0.00 0.80 0.00 0.00 33.01 30.36 3k59 s GLN 76 CO 0.00 0.24 1.23 -2.30 -0.50 0.00 0.00 175.29 173.95 3k59 n PRO 77 N 3.47 1.30 -4.41 1.67 -0.02 -1.26 -1.37 135.00 134.37 3k59 n PRO 77 Ca -0.09 0.49 -0.21 0.00 -2.02 0.00 0.00 63.50 61.67 3k59 n PRO 77 Cb 0.52 -2.44 -0.10 0.00 -0.02 0.00 0.00 33.50 31.46 3k59 n PRO 77 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 3k59 s VAL 78 N -1.37 1.88 0.09 -1.45 -7.23 -0.82 -0.53 120.40 110.96 3k59 s VAL 78 Ca 0.76 -2.22 0.06 0.00 -1.81 0.00 0.00 61.98 58.77 3k59 s VAL 78 Cb -0.41 -2.27 -0.04 0.00 0.56 0.00 0.00 36.38 34.22 3k59 s VAL 78 CO 0.46 -0.43 -0.08 -0.31 -0.31 0.00 0.00 175.10 174.43 3k59 s TYR 79 N -2.87 2.79 -0.10 2.82 4.12 0.14 -2.35 117.35 121.90 3k59 s TYR 79 Ca 0.27 -0.13 -0.16 0.00 0.02 0.00 0.00 57.07 57.08 3k59 s TYR 79 Cb 0.00 -1.47 -0.05 0.00 -1.52 0.00 0.00 41.96 38.93 3k59 s TYR 79 CO 0.11 0.42 0.40 0.20 0.02 0.00 0.00 175.55 176.70 3k59 s GLY 80 N -2.12 2.35 -0.41 0.71 0.00 0.20 -1.22 107.32 106.84 3k59 s GLY 80 Ca 0.21 -0.29 -0.11 0.00 0.00 0.00 0.00 44.72 44.53 3k59 s GLY 80 CO 0.14 0.49 0.26 -2.27 0.00 0.00 0.00 173.10 171.71 3k59 s LEU 81 N 0.12 5.05 -0.20 0.66 2.96 0.12 -0.95 118.68 126.44 3k59 s LEU 81 Ca 0.22 -1.25 -0.08 0.00 -0.22 0.00 0.00 54.13 52.81 3k59 s LEU 81 Cb -0.15 -2.04 -0.04 0.00 0.50 0.00 0.00 46.19 44.46 3k59 s LEU 81 CO 0.09 -0.49 0.07 -0.31 -1.32 0.00 0.00 176.35 174.39 3k59 s TYR 82 N 1.52 3.22 0.11 5.38 2.02 0.02 -1.62 117.35 128.00 3k59 s TYR 82 Ca 0.03 0.00 0.10 0.00 -0.37 0.00 0.00 57.07 56.83 3k59 s TYR 82 Cb -0.21 -2.12 -0.04 0.00 -0.40 0.00 0.00 41.96 39.19 3k59 s TYR 82 CO 0.05 0.06 -0.26 0.00 -1.57 0.00 0.00 175.55 173.82 3k59 n ARG 84 N 1.14 0.09 -4.31 0.00 5.12 -1.16 -0.60 116.66 116.94 3k59 n ARG 84 Ca -0.18 0.07 -0.18 0.00 -1.93 0.00 0.00 57.85 55.63 3k59 n ARG 84 Cb 0.53 -1.60 -0.14 0.00 -1.16 0.00 0.00 32.46 30.09 3k59 n ARG 84 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3k59 s ALA 85 N -3.04 0.75 0.12 7.54 0.00 -1.26 -3.49 121.76 122.38 3k59 s ALA 85 Ca 0.12 -0.46 -0.12 0.00 0.00 0.00 0.00 51.96 51.50 3k59 s ALA 85 Cb 0.17 -0.16 -0.11 0.00 0.00 0.00 0.00 23.12 23.02 3k59 s ALA 85 CO 0.58 0.16 1.38 1.25 0.00 0.00 0.00 175.76 179.12 3k59 h HIS 86 N 5.66 1.10 0.00 0.00 2.76 -1.92 -2.11 115.15 120.65 3k59 h HIS 86 Ca -0.32 -0.42 -0.04 0.00 -2.20 0.00 0.00 60.37 57.39 3k59 h HIS 86 Cb 1.18 -0.20 -0.01 0.00 1.55 0.00 0.00 27.41 29.94 3k59 h HIS 86 CO 0.44 1.25 -0.19 0.00 -1.30 0.00 0.00 177.93 178.13 3k59 h ARG 87 N 0.64 0.00 -0.34 5.26 2.47 -1.98 0.57 114.38 120.99 3k59 h ARG 87 Ca -0.00 0.00 -0.03 0.00 -1.26 0.00 0.00 59.98 58.69 3k59 h ARG 87 Cb 1.23 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.53 3k59 h ARG 87 CO 0.13 0.19 0.10 0.37 0.56 0.00 0.00 179.97 181.32 3k59 h GLN 88 N 0.00 0.54 -0.70 0.04 4.15 -1.92 -0.09 115.11 117.14 3k59 h GLN 88 Ca -0.00 -0.12 -0.03 0.00 0.77 0.00 0.00 58.65 59.26 3k59 h GLN 88 Cb 0.34 -0.07 -0.03 0.00 0.21 0.00 0.00 27.48 27.93 3k59 h GLN 88 CO 0.03 0.58 0.32 1.25 -1.93 0.00 0.00 178.83 179.08 3k59 h LEU 89 N 0.40 0.93 -0.65 -2.39 5.85 -0.57 -1.36 115.31 117.52 3k59 h LEU 89 Ca 0.11 -0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.69 3k59 h LEU 89 Cb 0.27 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.03 3k59 h LEU 89 CO -0.00 0.82 0.42 0.24 -0.34 0.00 0.00 178.44 179.58 3k59 h MET 90 N 0.98 0.86 -0.41 1.25 2.86 -0.57 0.11 114.93 120.02 3k59 h MET 90 Ca 0.24 -0.06 -0.04 0.00 -2.06 0.00 0.00 59.70 57.78 3k59 h MET 90 Cb 0.14 -0.19 -0.02 0.00 0.06 0.00 0.00 31.60 31.60 3k59 h MET 90 CO -0.03 0.59 0.08 -0.91 1.06 0.00 0.00 176.91 177.70 3k59 h ASN 91 N 0.88 0.63 -0.78 1.22 2.35 -0.76 -2.80 115.58 116.32 3k59 h ASN 91 Ca 0.24 -0.25 -0.05 0.00 -0.55 0.00 0.00 56.30 55.70 3k59 h ASN 91 Cb -0.08 -0.17 -0.03 0.00 0.05 0.00 0.00 38.32 38.09 3k59 h ASN 91 CO -0.05 0.72 0.31 1.88 -1.65 0.00 0.00 177.43 178.64 3k59 h TYR 92 N 0.52 1.20 -0.56 1.19 0.05 -0.82 -2.08 116.97 116.47 3k59 h TYR 92 Ca 0.13 -0.09 0.02 0.00 0.05 0.00 0.00 58.73 58.84 3k59 h TYR 92 Cb 0.34 -0.36 -0.03 0.00 1.01 0.00 0.00 36.73 37.69 3k59 h TYR 92 CO 0.02 0.91 0.35 1.49 -1.05 0.00 0.00 178.16 179.88 3k59 h GLU 93 N 1.14 0.68 -0.28 4.88 4.22 -0.67 0.27 114.58 124.82 3k59 h GLU 93 Ca 0.26 -0.04 -0.02 0.00 0.08 0.00 0.00 59.36 59.64 3k59 h GLU 93 Cb 0.22 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 3k59 h GLU 93 CO -0.02 0.45 0.09 -0.22 -2.18 0.00 0.00 179.01 177.13 3k59 h LYS 94 N 0.70 0.44 -0.40 1.92 3.64 -1.25 0.17 116.57 121.79 3k59 h LYS 94 Ca 0.22 -0.09 -0.02 0.00 -1.27 0.00 0.00 60.65 59.48 3k59 h LYS 94 Cb -0.01 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 31.73 3k59 h LYS 94 CO -0.08 0.49 0.16 0.00 -2.27 0.00 0.00 179.45 177.75 3k59 h ARG 95 N 0.29 0.60 -0.23 1.90 3.08 -1.04 -1.18 114.38 117.80 3k59 h ARG 95 Ca 0.09 -0.11 -0.04 0.00 0.07 0.00 0.00 59.98 59.99 3k59 h ARG 95 Cb 0.24 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.18 3k59 h ARG 95 CO -0.00 0.57 -0.01 -0.07 -1.07 0.00 0.00 179.97 179.38 3k59 h LEU 96 N 0.51 0.42 -0.33 3.04 3.38 -0.36 -0.79 115.31 121.18 3k59 h LEU 96 Ca 0.13 -0.32 -0.00 0.00 0.09 0.00 0.00 57.88 57.78 3k59 h LEU 96 Cb 0.19 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 3k59 h LEU 96 CO -0.01 0.64 0.19 -0.09 0.09 0.00 0.00 178.44 179.26 3k59 h ARG 97 N 0.18 0.46 -0.15 1.13 2.43 -0.59 0.70 114.38 118.54 3k59 h ARG 97 Ca 0.06 -0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 59.16 3k59 h ARG 97 Cb 0.44 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.88 3k59 h ARG 97 CO 0.01 0.37 -0.02 0.93 -1.51 0.00 0.00 179.97 179.75 3k59 h GLU 98 N 0.42 0.22 -0.01 0.20 5.08 -1.19 -1.45 114.58 117.84 3k59 h GLU 98 Ca 0.12 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 3k59 h GLU 98 Cb 0.04 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3k59 h GLU 98 CO -0.02 0.26 0.00 0.41 -1.00 0.00 0.00 179.01 178.66 3k59 n GLY 99 N -1.17 -0.95 1.23 -3.84 0.00 -0.31 -4.87 105.19 95.28 3k59 n GLY 99 Ca -0.01 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.93 3k59 n GLY 99 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k59 n GLY 100 N 0.70 0.67 3.63 -0.02 0.00 -0.54 -5.03 105.19 104.60 3k59 n GLY 100 Ca 0.09 -0.21 -0.35 0.00 0.00 0.00 0.00 46.02 45.56 3k59 n GLY 100 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3k59 s VAL 101 N -2.00 4.77 0.02 1.61 1.01 0.15 -5.01 120.40 120.95 3k59 s VAL 101 Ca 0.00 -0.04 -0.30 0.00 0.00 0.00 0.00 61.98 61.64 3k59 s VAL 101 Cb 0.00 -3.15 -0.04 0.00 0.00 0.00 0.00 36.38 33.18 3k59 s VAL 101 CO 0.00 0.46 1.14 -0.89 0.00 0.00 0.00 175.10 175.81 3k59 s THR 102 N 0.40 4.31 -0.07 3.92 2.01 -1.26 -3.54 115.64 121.41 3k59 s THR 102 Ca 0.03 1.65 0.02 0.00 0.31 0.00 0.00 61.69 63.70 3k59 s THR 102 Cb -0.12 -4.06 0.02 0.00 0.01 0.00 0.00 72.50 68.34 3k59 s THR 102 CO 0.00 0.10 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.24 3k59 s VAL 103 N 1.32 0.97 0.05 3.82 1.01 -1.26 -4.26 120.40 122.05 3k59 s VAL 103 Ca 0.56 -0.36 0.03 0.00 0.00 0.00 0.00 61.98 62.21 3k59 s VAL 103 Cb -0.26 -0.92 -0.04 0.00 0.00 0.00 0.00 36.38 35.16 3k59 s VAL 103 CO 0.27 0.33 0.01 -0.31 0.00 0.00 0.00 175.10 175.39 3k59 s TYR 104 N 0.88 3.04 -2.14 5.22 2.02 0.14 -4.70 117.35 121.81 3k59 s TYR 104 Ca -0.11 0.03 0.00 0.00 -0.37 0.00 0.00 57.07 56.62 3k59 s TYR 104 Cb -0.15 -1.60 0.00 0.00 -0.40 0.00 0.00 41.96 39.81 3k59 s TYR 104 CO 0.01 0.47 0.00 0.39 -1.57 0.00 0.00 175.55 174.86 3k59 n GLU 105 N 0.90 -1.49 0.18 -0.62 1.02 -1.26 -1.06 120.64 118.30 3k59 n GLU 105 Ca -0.12 1.20 0.14 0.00 -0.02 0.00 0.00 57.16 58.35 3k59 n GLU 105 Cb 0.52 -5.63 0.49 0.00 -0.02 0.00 0.00 31.44 26.81 3k59 n GLU 105 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3k59 h ALA 106 N 0.17 1.00 0.00 0.62 0.00 -1.84 -2.88 119.26 116.33 3k59 h ALA 106 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.47 3k59 h ALA 106 Cb 1.36 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.15 3k59 h ALA 106 CO 0.62 0.00 0.00 0.38 0.00 0.00 0.00 179.25 180.25 3k59 h ASP 107 N 0.00 0.00 -2.93 0.00 2.03 -1.93 -3.44 116.42 110.15 3k59 h ASP 107 Ca 0.00 0.00 -0.57 0.00 -0.73 0.00 0.00 57.03 55.73 3k59 h ASP 107 Cb 0.57 0.00 -0.04 0.00 -0.83 0.00 0.00 39.33 39.03 3k59 h ASP 107 CO 0.00 0.00 0.98 -0.69 -1.03 0.00 0.00 179.24 178.50 3k59 s VAL 108 N -3.27 4.08 0.62 4.15 1.01 -1.09 -5.00 120.40 120.90 3k59 s VAL 108 Ca 0.06 1.27 -0.14 0.00 0.00 0.00 0.00 61.98 63.17 3k59 s VAL 108 Cb 0.10 -3.95 -0.03 0.00 0.00 0.00 0.00 36.38 32.51 3k59 s VAL 108 CO 0.50 -0.26 1.05 -0.13 0.00 0.00 0.00 175.10 176.26 3k59 s ARG 109 N 3.94 3.30 0.18 2.72 1.81 -1.26 -4.81 118.95 124.83 3k59 s ARG 109 Ca 0.60 1.04 -0.14 0.00 -1.72 0.00 0.00 55.73 55.51 3k59 s ARG 109 Cb -0.22 -2.04 0.17 0.00 -0.45 0.00 0.00 34.95 32.42 3k59 s ARG 109 CO 0.21 -0.81 1.70 -1.35 -0.68 0.00 0.00 175.30 174.36 3k59 h PRO 110 N 0.03 0.15 -0.36 3.54 0.11 -1.97 -0.26 132.00 133.23 3k59 h PRO 110 Ca -0.45 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.64 3k59 h PRO 110 Cb 1.21 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 32.27 3k59 h PRO 110 CO 0.58 0.10 0.20 -1.35 -0.21 0.00 0.00 178.00 177.32 3k59 h PRO 111 N 0.15 0.50 -0.89 1.05 0.11 -1.94 -1.96 132.00 129.02 3k59 h PRO 111 Ca 0.24 -0.06 -0.02 0.00 0.11 0.00 0.00 66.00 66.27 3k59 h PRO 111 Cb 0.34 -0.10 -0.04 0.00 0.11 0.00 0.00 31.00 31.31 3k59 h PRO 111 CO -0.37 0.41 0.49 0.93 -0.21 0.00 0.00 178.00 179.26 3k59 h GLU 112 N 0.46 1.24 -0.31 1.05 3.07 -1.89 -2.02 114.58 116.17 3k59 h GLU 112 Ca 0.13 -0.14 -0.01 0.00 -0.50 0.00 0.00 59.36 58.84 3k59 h GLU 112 Cb 0.05 -0.25 -0.01 0.00 -0.84 0.00 0.00 28.75 27.70 3k59 h GLU 112 CO -0.02 0.90 0.16 -0.09 -1.40 0.00 0.00 179.01 178.55 3k59 h ARG 113 N 1.24 0.44 0.14 2.33 9.65 -0.76 -0.39 114.38 127.04 3k59 h ARG 113 Ca 0.31 -0.06 -0.01 0.00 -1.10 0.00 0.00 59.98 59.13 3k59 h ARG 113 Cb 0.01 -0.08 0.00 0.00 -1.39 0.00 0.00 29.97 28.51 3k59 h ARG 113 CO -0.05 0.39 -0.07 -0.92 2.80 0.00 0.00 179.97 182.12 3k59 h TYR 114 N 0.37 -0.17 -0.17 2.20 3.20 -1.02 -2.70 116.97 118.68 3k59 h TYR 114 Ca 0.11 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.96 3k59 h TYR 114 Cb 0.09 0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.41 3k59 h TYR 114 CO -0.02 -0.07 0.06 -0.07 -1.64 0.00 0.00 178.16 176.42 3k59 h LEU 115 N -0.23 0.24 -0.25 2.82 3.38 -1.34 -3.09 115.31 116.85 3k59 h LEU 115 Ca -0.02 -0.18 0.06 0.00 0.09 0.00 0.00 57.88 57.83 3k59 h LEU 115 Cb 0.18 -0.06 -0.07 0.00 0.09 0.00 0.00 40.66 40.80 3k59 h LEU 115 CO 0.03 0.36 -0.23 -0.03 0.09 0.00 0.00 178.44 178.66 3k59 h MET 116 N 0.11 -0.22 0.00 1.13 4.05 -1.08 0.06 114.93 118.98 3k59 h MET 116 Ca 0.06 0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.49 3k59 h MET 116 Cb 0.19 0.05 0.00 0.00 -0.80 0.00 0.00 31.60 31.05 3k59 h MET 116 CO -0.00 -0.15 0.00 0.93 0.23 0.00 0.00 176.91 177.92 3k59 h GLU 117 N -0.23 0.00 -0.66 0.39 4.39 -1.52 -2.56 114.58 114.39 3k59 h GLU 117 Ca 0.14 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.84 3k59 h GLU 117 Cb 0.45 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.10 3k59 h GLU 117 CO -0.38 0.00 0.00 0.54 -1.16 0.00 0.00 179.01 178.01 3k59 n ARG 118 N -2.89 3.63 -2.80 2.33 1.74 -0.75 -4.93 116.66 112.98 3k59 n ARG 118 Ca 0.00 -2.87 -0.22 0.00 -0.77 0.00 0.00 57.85 54.00 3k59 n ARG 118 Cb 0.25 -1.86 0.02 0.00 -1.02 0.00 0.00 32.46 29.85 3k59 n ARG 118 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 3k59 n PHE 119 N 1.19 -1.62 -3.84 -1.55 3.72 -0.96 -4.45 117.46 109.95 3k59 n PHE 119 Ca 0.26 0.32 -0.37 0.00 -0.05 0.00 0.00 57.45 57.61 3k59 n PHE 119 Cb 0.86 -4.19 -0.06 0.00 -0.94 0.00 0.00 39.48 35.15 3k59 n PHE 119 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 3k59 s ILE 120 N -3.10 5.47 0.00 4.37 1.01 -0.07 -4.74 121.20 124.14 3k59 s ILE 120 Ca 0.19 0.24 0.00 0.00 0.00 0.00 0.00 60.65 61.09 3k59 s ILE 120 Cb -0.09 -3.43 0.00 0.00 0.01 0.00 0.00 42.46 38.96 3k59 s ILE 120 CO 0.24 0.59 0.00 0.35 0.00 0.00 0.00 174.94 176.12 3k59 n THR 121 N 2.21 0.00 0.00 2.92 -2.24 -1.26 -4.32 114.28 111.59 3k59 n THR 121 Ca -0.19 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.59 3k59 n THR 121 Cb 0.54 -0.62 0.00 0.00 -2.10 0.00 0.00 70.33 68.15 3k59 n THR 121 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3k59 n SER 122 N -1.08 0.83 -4.72 3.42 7.64 -1.26 -4.91 113.62 113.54 3k59 n SER 122 Ca 0.00 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.46 3k59 n SER 122 Cb 0.00 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.17 3k59 n SER 122 CO 0.00 0.00 0.00 -2.84 -3.01 0.00 0.00 175.04 169.19 3k59 s PRO 123 N -1.91 4.37 0.17 1.43 0.02 -1.26 -1.17 135.00 136.64 3k59 s PRO 123 Ca 0.00 1.99 -0.06 0.00 0.02 0.00 0.00 61.00 62.96 3k59 s PRO 123 Cb 0.00 -3.26 -0.02 0.00 0.02 0.00 0.00 34.50 31.24 3k59 s PRO 123 CO 0.00 -0.34 0.21 0.14 -0.33 0.00 0.00 177.00 176.68 3k59 s VAL 124 N 0.82 0.06 -0.12 3.83 -7.23 0.42 -1.37 120.40 116.80 3k59 s VAL 124 Ca 0.61 -1.65 0.00 0.00 -1.81 0.00 0.00 61.98 59.13 3k59 s VAL 124 Cb -0.35 -2.06 -0.02 0.00 0.56 0.00 0.00 36.38 34.51 3k59 s VAL 124 CO 0.32 -0.25 -0.14 0.26 -0.31 0.00 0.00 175.10 174.98 3k59 s TRP 125 N -4.03 2.79 -0.02 2.82 0.52 0.00 -0.48 118.94 120.54 3k59 s TRP 125 Ca 0.24 -0.61 0.07 0.00 0.02 0.00 0.00 56.10 55.81 3k59 s TRP 125 Cb 0.05 -1.82 -0.02 0.00 -1.15 0.00 0.00 33.47 30.53 3k59 s TRP 125 CO 0.04 -0.18 -0.23 0.54 0.02 0.00 0.00 176.95 177.14 3k59 s VAL 126 N 0.25 1.80 0.04 4.03 0.11 0.91 -1.73 120.40 125.81 3k59 s VAL 126 Ca -0.09 -0.97 0.04 0.00 -2.93 0.00 0.00 61.98 58.03 3k59 s VAL 126 Cb -0.16 -1.50 -0.02 0.00 -1.53 0.00 0.00 36.38 33.17 3k59 s VAL 126 CO 0.05 0.51 -0.13 -1.61 -3.33 0.00 0.00 175.10 170.60 3k59 s GLU 127 N -0.48 0.84 0.00 1.54 2.02 -0.53 -1.04 118.70 121.05 3k59 s GLU 127 Ca 0.07 -0.75 0.00 0.00 0.02 0.00 0.00 54.97 54.31 3k59 s GLU 127 Cb -0.09 -0.81 0.00 0.00 0.10 0.00 0.00 34.13 33.32 3k59 s GLU 127 CO -0.00 0.20 0.00 0.41 0.02 0.00 0.00 175.26 175.88 3k59 n GLY 128 N 1.81 -1.05 3.64 -1.39 0.00 -1.12 -0.66 105.19 106.42 3k59 n GLY 128 Ca -0.19 -1.03 -0.36 0.00 0.00 0.00 0.00 46.02 44.44 3k59 n GLY 128 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3k59 s ASP 129 N -4.00 5.92 0.01 1.61 1.01 -0.30 -1.82 116.67 119.09 3k59 s ASP 129 Ca 0.00 0.08 -0.30 0.00 0.71 0.00 0.00 52.55 53.04 3k59 s ASP 129 Cb 0.00 -2.05 -0.05 0.00 1.01 0.00 0.00 42.92 41.83 3k59 s ASP 129 CO 0.00 0.09 1.22 -0.32 0.21 0.00 0.00 175.17 176.36 3k59 s MET 130 N 0.92 4.39 -0.20 8.23 -2.45 0.29 -0.62 119.30 129.86 3k59 s MET 130 Ca 0.06 1.75 -0.04 0.00 -1.25 0.00 0.00 55.69 56.21 3k59 s MET 130 Cb -0.13 -3.46 0.08 0.00 1.25 0.00 0.00 34.83 32.57 3k59 s MET 130 CO 0.03 -0.36 0.15 -1.58 1.05 0.00 0.00 175.02 174.31 3k59 s HIS 131 N 1.66 0.01 -1.47 4.11 5.04 0.15 -4.17 115.29 120.61 3k59 s HIS 131 Ca 0.58 -0.15 -0.09 0.00 -1.54 0.00 0.00 55.06 53.85 3k59 s HIS 131 Cb -0.28 -0.58 0.06 0.00 0.04 0.00 0.00 32.58 31.83 3k59 s HIS 131 CO 0.26 -0.58 0.85 0.09 -2.34 0.00 0.00 174.74 173.02 3k59 n ASN 132 N 5.29 -3.38 0.00 9.88 3.02 -1.26 -1.65 115.26 127.16 3k59 n ASN 132 Ca -0.06 -0.82 0.00 0.00 -0.03 0.00 0.00 54.58 53.67 3k59 n ASN 132 Cb 0.49 -3.81 0.00 0.00 -0.61 0.00 0.00 39.78 35.85 3k59 n ASN 132 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3k59 n GLY 133 N -1.67 1.03 3.41 7.41 0.00 -1.26 -5.04 105.19 109.08 3k59 n GLY 133 Ca -0.08 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.70 3k59 n GLY 133 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3k59 s THR 134 N -3.48 2.22 -0.26 2.61 -4.23 -0.66 -4.58 115.64 107.26 3k59 s THR 134 Ca 0.00 -2.17 -0.13 0.00 -1.18 0.00 0.00 61.69 58.21 3k59 s THR 134 Cb 0.00 -2.13 -0.04 0.00 1.34 0.00 0.00 72.50 71.67 3k59 s THR 134 CO 0.00 -0.32 0.29 -0.63 -0.54 0.00 0.00 174.62 173.43 3k59 s ILE 135 N -2.21 5.24 0.32 2.99 -1.09 -0.50 0.32 121.20 126.27 3k59 s ILE 135 Ca 0.23 0.41 0.09 0.00 -2.23 0.00 0.00 60.65 59.16 3k59 s ILE 135 Cb -0.06 -3.62 -0.05 0.00 -1.58 0.00 0.00 42.46 37.15 3k59 s ILE 135 CO 0.11 0.22 0.04 0.68 -1.23 0.00 0.00 174.94 174.76 3k59 s VAL 136 N 1.78 2.99 -1.46 2.92 -7.23 0.21 0.12 120.40 119.74 3k59 s VAL 136 Ca 0.12 -1.88 -0.05 0.00 -1.81 0.00 0.00 61.98 58.36 3k59 s VAL 136 Cb -0.15 -2.85 0.02 0.00 0.56 0.00 0.00 36.38 33.96 3k59 s VAL 136 CO 0.09 -0.25 0.46 0.59 -0.31 0.00 0.00 175.10 175.68 3k59 n ASN 137 N -0.99 -5.22 -4.79 4.85 5.03 -0.97 -1.15 115.26 112.02 3k59 n ASN 137 Ca -0.04 -0.25 -0.33 0.00 0.87 0.00 0.00 54.58 54.83 3k59 n ASN 137 Cb 0.61 -4.27 0.03 0.00 -1.02 0.00 0.00 39.78 35.13 3k59 n ASN 137 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3k59 s ALA 138 N -3.04 2.62 -0.03 5.41 0.00 -0.94 -4.57 121.76 121.20 3k59 s ALA 138 Ca 0.28 0.46 0.01 0.00 0.00 0.00 0.00 51.96 52.71 3k59 s ALA 138 Cb -0.13 -3.27 0.02 0.00 0.00 0.00 0.00 23.12 19.73 3k59 s ALA 138 CO 0.34 -1.03 -0.04 1.03 0.00 0.00 0.00 175.76 176.06 3k59 s ARG 139 N -4.10 0.64 0.05 0.00 0.52 0.16 -4.61 118.95 111.61 3k59 s ARG 139 Ca 0.65 -0.10 0.08 0.00 -0.52 0.00 0.00 55.73 55.84 3k59 s ARG 139 Cb -0.18 -0.67 -0.03 0.00 0.52 0.00 0.00 34.95 34.59 3k59 s ARG 139 CO 0.39 -0.03 -0.21 -0.51 0.02 0.00 0.00 175.30 174.96 3k59 s LEU 140 N 0.64 2.47 0.06 2.53 1.43 -1.26 -1.45 118.68 123.09 3k59 s LEU 140 Ca -0.08 -0.50 0.02 0.00 -1.03 0.00 0.00 54.13 52.53 3k59 s LEU 140 Cb -0.11 -1.43 -0.03 0.00 0.03 0.00 0.00 46.19 44.64 3k59 s LEU 140 CO -0.00 0.25 -0.07 -0.54 0.23 0.00 0.00 176.35 176.22 3k59 s LYS 141 N -1.47 0.61 0.44 1.70 1.02 -0.71 -4.98 119.74 116.36 3k59 s LYS 141 Ca 0.14 -0.96 -0.25 0.00 0.02 0.00 0.00 55.97 54.92 3k59 s LYS 141 Cb -0.10 -0.19 -0.08 0.00 -0.52 0.00 0.00 37.83 36.93 3k59 s LYS 141 CO 0.05 0.01 1.31 -2.14 -0.92 0.00 0.00 175.35 173.66 3k59 s PRO 142 N -2.44 3.75 -0.15 -1.68 0.02 -1.26 -0.82 135.00 132.42 3k59 s PRO 142 Ca -0.02 2.16 -0.01 0.00 0.02 0.00 0.00 61.00 63.15 3k59 s PRO 142 Cb -0.04 -2.61 -0.01 0.00 0.02 0.00 0.00 34.50 31.86 3k59 s PRO 142 CO -0.02 -0.67 -0.12 -1.58 -0.33 0.00 0.00 177.00 174.28 3k59 s HIS 143 N -1.30 2.84 0.41 6.54 2.46 -0.47 -4.58 115.29 121.19 3k59 s HIS 143 Ca 0.61 -0.72 0.10 0.00 0.47 0.00 0.00 55.06 55.52 3k59 s HIS 143 Cb -0.38 -1.89 0.90 0.00 -0.13 0.00 0.00 32.58 31.08 3k59 s HIS 143 CO 0.48 -0.28 1.99 -1.00 -2.47 0.00 0.00 174.74 173.45 3k59 h PRO 144 N 6.98 0.54 0.00 2.88 0.13 -1.95 -3.39 132.00 137.18 3k59 h PRO 144 Ca -0.29 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 3k59 h PRO 144 Cb 1.20 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.21 3k59 h PRO 144 CO 0.57 0.35 0.00 -0.40 -0.23 0.00 0.00 178.00 178.30 3k59 n ASP 145 N -4.48 0.00 -4.73 1.44 5.68 -1.26 -5.11 116.55 108.09 3k59 n ASP 145 Ca 0.09 -1.00 -0.42 0.00 -0.50 0.00 0.00 54.79 52.96 3k59 n ASP 145 Cb 0.26 0.00 -0.02 0.00 -1.14 0.00 0.00 41.12 40.22 3k59 n ASP 145 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3k59 n TYR 146 N 0.00 2.77 -4.08 2.11 9.36 -1.26 -5.01 117.16 121.05 3k59 n TYR 146 Ca 0.00 0.20 -0.19 0.00 3.32 0.00 0.00 57.90 61.23 3k59 n TYR 146 Cb 0.26 -2.61 -0.16 0.00 -0.63 0.00 0.00 39.34 36.19 3k59 n TYR 146 CO 0.00 0.00 0.00 1.03 0.22 0.00 0.00 176.86 178.11 3k59 s ARG 147 N 0.06 0.64 0.48 2.98 1.81 -1.26 -4.74 118.95 118.93 3k59 s ARG 147 Ca 0.68 -0.04 -0.06 0.00 -1.72 0.00 0.00 55.73 54.59 3k59 s ARG 147 Cb -0.51 -0.71 -0.04 0.00 -0.45 0.00 0.00 34.95 33.24 3k59 s ARG 147 CO 0.43 -0.10 0.80 -1.25 -0.68 0.00 0.00 175.30 174.50 3k59 s PRO 148 N 0.96 3.57 0.23 3.54 0.04 -1.26 -5.03 135.00 137.05 3k59 s PRO 148 Ca -0.11 0.27 -0.21 0.00 0.04 0.00 0.00 61.00 61.00 3k59 s PRO 148 Cb -0.14 -2.36 -0.08 0.00 0.04 0.00 0.00 34.50 31.96 3k59 s PRO 148 CO -0.01 -0.21 0.75 -1.25 0.04 0.00 0.00 177.00 176.33 3k59 s PRO 149 N -4.66 4.30 0.01 0.56 0.04 -1.26 -5.06 135.00 128.92 3k59 s PRO 149 Ca 0.48 0.93 0.04 0.00 0.04 0.00 0.00 61.00 62.50 3k59 s PRO 149 Cb -0.10 -2.88 -0.01 0.00 0.04 0.00 0.00 34.50 31.54 3k59 s PRO 149 CO 0.44 0.38 -0.13 -0.51 0.04 0.00 0.00 177.00 177.22 3k59 s LEU 150 N -1.97 2.08 -0.18 -3.56 1.43 -1.26 -4.81 118.68 110.42 3k59 s LEU 150 Ca 0.44 -0.32 -0.09 0.00 -1.03 0.00 0.00 54.13 53.13 3k59 s LEU 150 Cb -0.17 -0.63 -0.05 0.00 0.03 0.00 0.00 46.19 45.37 3k59 s LEU 150 CO 0.21 0.11 0.13 -0.54 0.23 0.00 0.00 176.35 176.49 3k59 s LYS 151 N -0.63 3.98 0.28 1.70 1.02 -1.26 -4.98 119.74 119.85 3k59 s LYS 151 Ca 0.03 -0.20 0.10 0.00 0.02 0.00 0.00 55.97 55.92 3k59 s LYS 151 Cb -0.06 -3.35 -0.05 0.00 -0.52 0.00 0.00 37.83 33.85 3k59 s LYS 151 CO 0.00 0.43 -0.02 -1.58 -0.92 0.00 0.00 175.35 173.26 3k59 s TRP 152 N -0.01 2.62 -0.05 3.18 0.51 -1.26 -0.17 118.94 123.75 3k59 s TRP 152 Ca 0.10 -0.28 -0.01 0.00 -2.12 0.00 0.00 56.10 53.79 3k59 s TRP 152 Cb -0.11 -1.23 0.03 0.00 -0.81 0.00 0.00 33.47 31.34 3k59 s TRP 152 CO -0.00 0.60 0.02 0.54 -0.51 0.00 0.00 176.95 177.59 3k59 s VAL 153 N -2.38 0.17 -0.30 4.03 0.11 0.14 -2.61 120.40 119.55 3k59 s VAL 153 Ca 0.32 0.21 -0.15 0.00 -2.93 0.00 0.00 61.98 59.43 3k59 s VAL 153 Cb -0.05 -0.34 -0.03 0.00 -1.53 0.00 0.00 36.38 34.43 3k59 s VAL 153 CO 0.19 0.20 0.38 -0.55 -3.33 0.00 0.00 175.10 172.00 3k59 s SER 154 N 1.78 6.23 -0.07 3.54 0.15 0.52 -0.52 113.70 125.34 3k59 s SER 154 Ca 0.01 0.11 0.01 0.00 0.70 0.00 0.00 55.95 56.78 3k59 s SER 154 Cb -0.13 -2.21 -0.03 0.00 -1.71 0.00 0.00 66.02 61.95 3k59 s SER 154 CO -0.04 -0.26 -0.09 -0.51 1.20 0.00 0.00 173.24 173.54 3k59 s ILE 155 N 2.09 3.47 -0.11 6.45 2.07 -0.58 -1.46 121.20 133.13 3k59 s ILE 155 Ca 0.14 -0.56 -0.05 0.00 -1.41 0.00 0.00 60.65 58.77 3k59 s ILE 155 Cb -0.16 -2.41 0.05 0.00 0.13 0.00 0.00 42.46 40.07 3k59 s ILE 155 CO 0.11 0.58 0.25 -0.62 -1.91 0.00 0.00 174.94 173.36 3k59 s ASP 156 N -0.63 -0.21 0.11 4.50 2.15 -0.72 -4.66 116.67 117.21 3k59 s ASP 156 Ca 0.09 0.54 0.08 0.00 0.43 0.00 0.00 52.55 53.69 3k59 s ASP 156 Cb -0.11 0.44 -0.04 0.00 -0.30 0.00 0.00 42.92 42.91 3k59 s ASP 156 CO 0.02 -0.17 -0.12 0.27 -0.17 0.00 0.00 175.17 174.99 3k59 s ILE 157 N 1.38 3.24 -0.06 4.11 -4.36 -1.26 0.01 121.20 124.25 3k59 s ILE 157 Ca -0.08 -1.35 0.05 0.00 -0.26 0.00 0.00 60.65 59.01 3k59 s ILE 157 Cb -0.10 -2.52 -0.01 0.00 1.25 0.00 0.00 42.46 41.08 3k59 s ILE 157 CO -0.09 0.09 -0.22 -1.61 0.24 0.00 0.00 174.94 173.36 3k59 s GLU 158 N -2.24 2.42 0.34 0.37 0.41 -0.90 -5.01 118.70 114.09 3k59 s GLU 158 Ca 0.21 -0.80 0.04 0.00 -0.41 0.00 0.00 54.97 54.00 3k59 s GLU 158 Cb -0.11 -2.00 -0.04 0.00 -1.78 0.00 0.00 34.13 30.21 3k59 s GLU 158 CO 0.13 0.29 0.14 0.95 -0.49 0.00 0.00 175.26 176.28 3k59 s THR 159 N 0.04 0.51 0.90 3.63 -4.23 -1.26 -0.65 115.64 114.57 3k59 s THR 159 Ca -0.07 -2.00 -0.13 0.00 -1.18 0.00 0.00 61.69 58.31 3k59 s THR 159 Cb -0.14 -2.49 0.13 0.00 1.34 0.00 0.00 72.50 71.33 3k59 s THR 159 CO 0.04 0.00 1.16 0.42 -0.54 0.00 0.00 174.62 175.70 3k59 s THR 160 N -3.44 1.99 -1.13 3.99 -4.23 0.35 -4.87 115.64 108.30 3k59 s THR 160 Ca 0.32 0.00 0.10 0.00 -1.18 0.00 0.00 61.69 60.93 3k59 s THR 160 Cb 0.05 -2.82 0.11 0.00 1.34 0.00 0.00 72.50 71.17 3k59 s THR 160 CO 0.17 0.00 1.27 -2.11 -0.54 0.00 0.00 174.62 173.41 3k59 n ARG 161 N -3.68 0.04 -0.20 3.99 1.85 -1.26 -0.89 116.66 116.51 3k59 n ARG 161 Ca 0.08 0.29 0.08 0.00 -1.00 0.00 0.00 57.85 57.30 3k59 n ARG 161 Cb 0.60 -1.50 0.19 0.00 -1.05 0.00 0.00 32.46 30.69 3k59 n ARG 161 CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 177.63 178.34 3k59 n HIS 162 N -1.43 0.52 -0.40 2.89 8.25 -1.26 -4.97 115.22 118.81 3k59 n HIS 162 Ca 0.03 -0.40 0.00 0.00 -0.26 0.00 0.00 57.72 57.09 3k59 n HIS 162 Cb 0.10 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.20 3k59 n HIS 162 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3k59 n GLY 163 N 0.92 0.71 3.74 -1.41 0.00 -0.07 -5.05 105.19 104.02 3k59 n GLY 163 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 3k59 n GLY 163 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3k59 s GLU 164 N -0.59 4.61 0.29 1.61 2.02 -1.26 -4.68 118.70 120.70 3k59 s GLU 164 Ca 0.00 1.67 -0.30 0.00 0.02 0.00 0.00 54.97 56.36 3k59 s GLU 164 Cb 0.00 -3.30 -0.12 0.00 0.10 0.00 0.00 34.13 30.81 3k59 s GLU 164 CO 0.00 0.10 1.52 1.28 0.02 0.00 0.00 175.26 178.18 3k59 n LEU 165 N 2.49 4.02 -0.08 1.80 4.77 -1.26 -0.49 117.00 128.25 3k59 n LEU 165 Ca 0.03 1.16 -0.17 0.00 -0.03 0.00 0.00 56.01 57.00 3k59 n LEU 165 Cb 0.47 -1.55 -0.06 0.00 -2.33 0.00 0.00 43.42 39.95 3k59 n LEU 165 CO 0.53 -0.05 -1.05 -1.22 -1.33 0.00 0.00 177.39 174.27 3k59 n TYR 166 N 1.82 0.00 -3.83 -1.77 4.01 0.18 -4.84 117.16 112.73 3k59 n TYR 166 Ca 0.08 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.74 3k59 n TYR 166 Cb 0.35 -0.58 -0.03 0.00 -0.31 0.00 0.00 39.34 38.78 3k59 n TYR 166 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3k59 s ILE 168 N -3.92 0.87 -0.14 0.00 1.01 -0.01 -2.12 121.20 116.89 3k59 s ILE 168 Ca 0.12 -0.26 -0.04 0.00 0.00 0.00 0.00 60.65 60.47 3k59 s ILE 168 Cb -0.04 -0.88 -0.03 0.00 0.01 0.00 0.00 42.46 41.52 3k59 s ILE 168 CO 0.05 0.32 0.00 -0.83 0.00 0.00 0.00 174.94 174.48 3k59 s GLY 169 N 1.27 1.81 -0.07 6.18 0.00 0.10 -0.67 107.32 115.94 3k59 s GLY 169 Ca -0.04 -0.79 0.02 0.00 0.00 0.00 0.00 44.72 43.91 3k59 s GLY 169 CO -0.03 -0.20 -0.12 1.08 0.00 0.00 0.00 173.10 173.83 3k59 s LEU 170 N -0.04 1.63 -0.14 0.66 1.43 -0.02 -1.76 118.68 120.43 3k59 s LEU 170 Ca 0.03 -0.31 -0.02 0.00 -1.03 0.00 0.00 54.13 52.80 3k59 s LEU 170 Cb -0.13 -0.86 0.05 0.00 0.03 0.00 0.00 46.19 45.28 3k59 s LEU 170 CO 0.02 0.02 0.02 -0.70 0.23 0.00 0.00 176.35 175.94 3k59 s GLU 171 N 0.76 0.66 0.00 1.70 2.12 -0.53 -1.61 118.70 121.79 3k59 s GLU 171 Ca -0.13 -0.20 0.00 0.00 0.36 0.00 0.00 54.97 55.00 3k59 s GLU 171 Cb -0.16 -1.64 0.00 0.00 0.26 0.00 0.00 34.13 32.59 3k59 s GLU 171 CO 0.03 -0.50 0.00 0.41 -0.54 0.00 0.00 175.26 174.66 3k59 n GLY 172 N 5.09 2.13 2.74 -1.50 0.00 -0.55 -0.35 105.19 112.74 3k59 n GLY 172 Ca -0.08 -1.35 -0.21 0.00 0.00 0.00 0.00 46.02 44.38 3k59 n GLY 172 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k59 n GLY 174 N -1.21 0.56 3.45 0.00 0.00 -1.26 -5.02 105.19 101.70 3k59 n GLY 174 Ca -0.16 -0.32 -0.27 0.00 0.00 0.00 0.00 46.02 45.27 3k59 n GLY 174 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3k59 s GLN 175 N -1.38 1.61 -0.24 1.61 -1.52 -0.22 -5.10 119.66 114.41 3k59 s GLN 175 Ca 0.00 -1.47 -0.04 0.00 -1.95 0.00 0.00 55.36 51.90 3k59 s GLN 175 Cb 0.00 -1.91 0.09 0.00 -0.22 0.00 0.00 33.01 30.98 3k59 s GLN 175 CO 0.00 0.41 0.16 1.03 -0.25 0.00 0.00 175.29 176.64 3k59 s ARG 176 N -2.67 0.18 0.01 2.91 0.52 -1.26 -1.49 118.95 117.15 3k59 s ARG 176 Ca 0.21 -0.22 -0.08 0.00 -0.52 0.00 0.00 55.73 55.12 3k59 s ARG 176 Cb -0.08 -1.26 0.00 0.00 0.52 0.00 0.00 34.95 34.13 3k59 s ARG 176 CO 0.11 -0.87 0.15 -1.50 0.02 0.00 0.00 175.30 173.21 3k59 s ILE 177 N 2.19 0.09 -0.09 1.52 2.07 -0.64 -1.53 121.20 124.82 3k59 s ILE 177 Ca 0.07 -0.75 0.01 0.00 -1.41 0.00 0.00 60.65 58.56 3k59 s ILE 177 Cb -0.16 -0.57 0.02 0.00 0.13 0.00 0.00 42.46 41.89 3k59 s ILE 177 CO -0.25 -0.41 -0.09 -0.69 -1.91 0.00 0.00 174.94 171.59 3k59 s VAL 178 N -1.69 1.02 -0.26 4.00 1.01 -0.18 -0.84 120.40 123.46 3k59 s VAL 178 Ca -0.12 -0.35 -0.13 0.00 0.00 0.00 0.00 61.98 61.38 3k59 s VAL 178 Cb -0.06 -1.00 -0.04 0.00 0.00 0.00 0.00 36.38 35.28 3k59 s VAL 178 CO 0.00 0.35 0.28 -0.31 0.00 0.00 0.00 175.10 175.42 3k59 s TYR 179 N 1.23 3.27 -0.03 5.22 2.02 0.15 -1.17 117.35 128.04 3k59 s TYR 179 Ca -0.04 0.32 0.07 0.00 -0.37 0.00 0.00 57.07 57.04 3k59 s TYR 179 Cb -0.14 -2.45 -0.02 0.00 -0.40 0.00 0.00 41.96 38.96 3k59 s TYR 179 CO -0.03 -0.12 -0.24 1.41 -1.57 0.00 0.00 175.55 175.00 3k59 s MET 180 N 1.66 2.14 0.01 -0.62 -2.45 0.15 -0.83 119.30 119.35 3k59 s MET 180 Ca 0.12 -0.88 -0.30 0.00 -1.25 0.00 0.00 55.69 53.38 3k59 s MET 180 Cb -0.15 -1.98 -0.06 0.00 1.25 0.00 0.00 34.83 33.89 3k59 s MET 180 CO 0.09 0.48 1.49 -1.17 1.05 0.00 0.00 175.02 176.96 3k59 s LEU 181 N -0.44 4.33 0.00 4.11 2.96 -0.54 -0.96 118.68 128.13 3k59 s LEU 181 Ca 0.06 2.22 -0.18 0.00 -0.22 0.00 0.00 54.13 56.01 3k59 s LEU 181 Cb -0.11 -3.56 0.24 0.00 0.50 0.00 0.00 46.19 43.27 3k59 s LEU 181 CO 0.00 -0.78 1.23 0.61 -1.32 0.00 0.00 176.35 176.09 3k59 n GLY 182 N 3.78 -1.91 3.92 7.98 0.00 0.30 -4.84 105.19 114.43 3k59 n GLY 182 Ca 0.14 -1.64 -0.28 0.00 0.00 0.00 0.00 46.02 44.25 3k59 n GLY 182 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3k59 s PRO 183 N -5.71 1.96 0.77 1.61 0.04 -1.26 -4.91 135.00 127.50 3k59 s PRO 183 Ca 0.72 -0.10 -0.12 0.00 0.04 0.00 0.00 61.00 61.53 3k59 s PRO 183 Cb -0.03 -2.04 0.06 0.00 0.04 0.00 0.00 34.50 32.52 3k59 s PRO 183 CO 0.52 -1.50 1.13 -1.21 0.04 0.00 0.00 177.00 175.98 3k59 s GLU 184 N -5.45 2.08 0.12 4.56 2.02 -1.26 -5.04 118.70 115.72 3k59 s GLU 184 Ca 0.62 1.44 -0.26 0.00 0.02 0.00 0.00 54.97 56.79 3k59 s GLU 184 Cb -0.10 -1.86 0.07 0.00 0.10 0.00 0.00 34.13 32.34 3k59 s GLU 184 CO 0.47 -1.82 0.95 0.54 0.02 0.00 0.00 175.26 175.43 3k59 s ASN 185 N -2.74 -0.21 0.63 -0.19 2.20 -1.26 -5.09 114.94 108.28 3k59 s ASN 185 Ca 0.67 -0.32 0.00 0.00 -0.94 0.00 0.00 52.86 52.26 3k59 s ASN 185 Cb -0.22 0.47 0.00 0.00 -2.00 0.00 0.00 41.25 39.50 3k59 s ASN 185 CO 0.51 -0.84 0.00 0.61 -2.94 0.00 0.00 177.10 174.43 3k59 n GLY 186 N -0.43 -1.36 3.18 0.45 0.00 -1.26 -4.33 105.19 101.44 3k59 n GLY 186 Ca -0.07 -1.15 -0.34 0.00 0.00 0.00 0.00 46.02 44.47 3k59 n GLY 186 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3k59 s ASP 187 N -4.05 3.48 -0.02 1.61 2.15 -1.26 -4.98 116.67 113.60 3k59 s ASP 187 Ca 0.00 -0.56 0.21 0.00 0.43 0.00 0.00 52.55 52.62 3k59 s ASP 187 Cb 0.00 -1.55 0.63 0.00 -0.30 0.00 0.00 42.92 41.69 3k59 s ASP 187 CO 0.00 0.01 1.52 0.00 -0.17 0.00 0.00 175.17 176.53 3k59 n ALA 188 N 4.58 2.49 0.16 3.66 0.00 -1.26 -4.49 120.51 125.66 3k59 n ALA 188 Ca -0.20 -1.26 0.01 0.00 0.00 0.00 0.00 53.44 51.99 3k59 n ALA 188 Cb 0.50 -0.96 0.32 0.00 0.00 0.00 0.00 19.45 19.32 3k59 n ALA 188 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3k59 h SER 189 N 4.05 0.07 -0.16 0.00 4.64 -2.01 -3.08 113.55 117.06 3k59 h SER 189 Ca 0.00 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 3k59 h SER 189 Cb 1.00 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.07 3k59 h SER 189 CO 0.03 0.44 0.00 -1.20 -0.87 0.00 0.00 176.83 175.24 3k59 n SER 190 N -4.08 1.71 -4.76 4.97 7.64 -1.26 -4.96 113.62 112.88 3k59 n SER 190 Ca -0.02 -1.70 -0.41 0.00 1.01 0.00 0.00 58.87 57.76 3k59 n SER 190 Cb 0.42 -0.10 -0.03 0.00 -1.01 0.00 0.00 64.21 63.49 3k59 n SER 190 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3k59 s LEU 191 N -1.60 4.48 -0.16 -3.43 1.43 -1.16 -4.95 118.68 113.28 3k59 s LEU 191 Ca 0.33 2.45 0.17 0.00 -1.03 0.00 0.00 54.13 56.05 3k59 s LEU 191 Cb 0.18 -3.63 0.77 0.00 0.03 0.00 0.00 46.19 43.54 3k59 s LEU 191 CO 0.27 -0.37 1.69 -0.90 0.23 0.00 0.00 176.35 177.27 3k59 n ASP 192 N 1.34 5.19 -4.10 2.29 5.75 -1.26 -4.94 116.55 120.82 3k59 n ASP 192 Ca 0.01 -2.64 -0.12 0.00 -0.01 0.00 0.00 54.79 52.03 3k59 n ASP 192 Cb 0.43 -0.63 -0.09 0.00 -1.03 0.00 0.00 41.12 39.81 3k59 n ASP 192 CO 0.00 0.00 0.00 0.72 -0.11 0.00 0.00 177.20 177.81 3k59 s PHE 193 N -2.22 1.01 0.02 2.11 -0.12 -1.26 -5.06 117.98 112.46 3k59 s PHE 193 Ca 0.53 -1.25 -0.29 0.00 -0.05 0.00 0.00 56.93 55.88 3k59 s PHE 193 Cb 0.37 -0.39 -0.04 0.00 -0.63 0.00 0.00 43.02 42.33 3k59 s PHE 193 CO 0.21 -0.74 0.93 -1.21 -0.05 0.00 0.00 175.22 174.37 3k59 s GLU 194 N -4.08 4.57 -0.19 1.99 2.02 -0.59 -5.00 118.70 117.43 3k59 s GLU 194 Ca 0.35 1.34 0.01 0.00 0.02 0.00 0.00 54.97 56.69 3k59 s GLU 194 Cb 0.05 -3.43 0.03 0.00 0.10 0.00 0.00 34.13 30.87 3k59 s GLU 194 CO 0.12 0.04 -0.19 -1.17 0.02 0.00 0.00 175.26 174.09 3k59 s LEU 195 N 0.70 2.31 -0.13 1.80 2.96 -1.26 -1.01 118.68 124.06 3k59 s LEU 195 Ca 0.48 -0.76 0.03 0.00 -0.22 0.00 0.00 54.13 53.66 3k59 s LEU 195 Cb -0.21 -1.49 0.01 0.00 0.50 0.00 0.00 46.19 45.00 3k59 s LEU 195 CO 0.27 -0.03 -0.21 -0.70 -1.32 0.00 0.00 176.35 174.36 3k59 s GLU 196 N 1.27 2.84 0.21 1.98 2.12 -0.31 -4.98 118.70 121.83 3k59 s GLU 196 Ca 0.03 -0.79 -0.05 0.00 0.36 0.00 0.00 54.97 54.51 3k59 s GLU 196 Cb -0.14 -2.29 -0.06 0.00 0.26 0.00 0.00 34.13 31.90 3k59 s GLU 196 CO -0.12 0.01 0.47 0.71 -0.54 0.00 0.00 175.26 175.79 3k59 s TYR 197 N 0.78 3.46 0.02 5.30 2.02 -1.26 -0.68 117.35 127.00 3k59 s TYR 197 Ca -0.09 0.63 0.01 0.00 -0.37 0.00 0.00 57.07 57.25 3k59 s TYR 197 Cb -0.16 -2.07 -0.02 0.00 -0.40 0.00 0.00 41.96 39.31 3k59 s TYR 197 CO -0.00 0.31 -0.06 0.14 -1.57 0.00 0.00 175.55 174.38 3k59 s VAL 198 N -1.84 0.38 0.27 0.71 -7.23 -0.14 -4.89 120.40 107.67 3k59 s VAL 198 Ca 0.43 -0.78 0.05 0.00 -1.81 0.00 0.00 61.98 59.87 3k59 s VAL 198 Cb -0.11 -0.44 0.01 0.00 0.56 0.00 0.00 36.38 36.40 3k59 s VAL 198 CO 0.26 -0.27 1.65 0.00 -0.31 0.00 0.00 175.10 176.43 3k59 h ALA 199 N 4.98 1.01 -2.34 1.32 0.00 -1.91 0.87 119.26 123.19 3k59 h ALA 199 Ca -0.32 -0.44 -0.22 0.00 0.00 0.00 0.00 54.91 53.92 3k59 h ALA 199 Cb 1.20 -0.09 -0.16 0.00 0.00 0.00 0.00 17.79 18.74 3k59 h ALA 199 CO 0.44 0.63 -0.70 -1.54 0.00 0.00 0.00 179.25 178.07 3k59 s SER 200 N -6.88 1.06 0.22 0.00 1.04 -1.26 -4.58 113.70 103.29 3k59 s SER 200 Ca -0.05 -0.95 -0.09 0.00 0.48 0.00 0.00 55.95 55.34 3k59 s SER 200 Cb 0.13 0.10 0.18 0.00 0.10 0.00 0.00 66.02 66.52 3k59 s SER 200 CO 0.79 -0.45 1.88 0.03 0.98 0.00 0.00 173.24 176.47 3k59 h ARG 201 N 3.16 1.09 -0.58 4.02 3.08 -1.94 -2.06 114.38 121.14 3k59 h ARG 201 Ca -0.35 -0.08 0.10 0.00 0.07 0.00 0.00 59.98 59.72 3k59 h ARG 201 Cb 1.17 -0.24 -0.03 0.00 0.08 0.00 0.00 29.97 30.95 3k59 h ARG 201 CO 0.62 0.74 0.39 -1.35 -1.07 0.00 0.00 179.97 179.31 3k59 h PRO 202 N 1.11 0.35 0.00 0.04 0.11 -1.97 0.18 132.00 131.81 3k59 h PRO 202 Ca 0.29 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 66.35 3k59 h PRO 202 Cb -0.08 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 30.94 3k59 h PRO 202 CO -0.06 0.23 -0.14 1.96 -0.21 0.00 0.00 178.00 179.78 3k59 h GLN 203 N 0.36 0.00 -0.72 1.05 4.20 -1.80 -1.96 115.11 116.25 3k59 h GLN 203 Ca 0.27 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.93 3k59 h GLN 203 Cb 0.59 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.34 3k59 h GLN 203 CO -0.07 0.14 0.26 -0.07 -0.67 0.00 0.00 178.83 178.42 3k59 h LEU 204 N 0.00 1.02 -0.81 1.46 3.38 -0.62 -0.49 115.31 119.24 3k59 h LEU 204 Ca -0.00 -0.19 -0.10 0.00 0.09 0.00 0.00 57.88 57.67 3k59 h LEU 204 Cb 0.44 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 3k59 h LEU 204 CO 0.02 0.93 -0.22 -0.07 0.09 0.00 0.00 178.44 179.19 3k59 h LEU 205 N 1.04 0.65 -0.56 1.67 3.38 -1.36 -1.26 115.31 118.87 3k59 h LEU 205 Ca 0.24 -0.23 -0.11 0.00 0.09 0.00 0.00 57.88 57.87 3k59 h LEU 205 Cb 0.26 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 3k59 h LEU 205 CO -0.01 0.87 -0.07 -0.33 0.09 0.00 0.00 178.44 178.99 3k59 h GLU 206 N 0.57 1.04 -0.50 1.13 5.08 -1.00 -0.48 114.58 120.43 3k59 h GLU 206 Ca 0.08 -0.37 -0.05 0.00 -1.00 0.00 0.00 59.36 58.03 3k59 h GLU 206 Cb 0.69 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.85 3k59 h GLU 206 CO 0.05 1.06 0.13 0.87 -1.00 0.00 0.00 179.01 180.12 3k59 h LYS 207 N 0.92 0.79 -0.45 2.33 1.79 -0.90 -1.28 116.57 119.78 3k59 h LYS 207 Ca 0.15 -0.19 0.03 0.00 -2.18 0.00 0.00 60.65 58.46 3k59 h LYS 207 Cb 0.64 -0.11 -0.03 0.00 -1.58 0.00 0.00 32.23 31.14 3k59 h LYS 207 CO 0.04 0.76 0.24 1.25 -1.08 0.00 0.00 179.45 180.66 3k59 h LEU 208 N 0.68 0.37 -0.44 2.94 5.85 -1.00 -0.31 115.31 123.40 3k59 h LEU 208 Ca 0.16 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.89 3k59 h LEU 208 Cb 0.32 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.27 3k59 h LEU 208 CO 0.00 0.26 0.28 0.78 -0.34 0.00 0.00 178.44 179.42 3k59 h ASN 209 N 0.48 0.52 -0.78 1.25 2.35 -0.83 -2.09 115.58 116.49 3k59 h ASN 209 Ca 0.19 -0.04 -0.04 0.00 -0.55 0.00 0.00 56.30 55.85 3k59 h ASN 209 Cb 0.06 -0.13 -0.04 0.00 0.05 0.00 0.00 38.32 38.27 3k59 h ASN 209 CO -0.11 0.41 0.32 0.00 -1.65 0.00 0.00 177.43 176.39 3k59 h ALA 210 N 1.14 1.08 -0.44 -0.83 0.00 -0.73 -1.17 119.26 118.31 3k59 h ALA 210 Ca 0.16 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 3k59 h ALA 210 Cb -0.03 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.43 3k59 h ALA 210 CO -0.03 0.66 0.13 2.35 0.00 0.00 0.00 179.25 182.35 3k59 h TRP 211 N 1.14 0.71 -0.60 0.00 7.01 -0.84 -0.13 115.95 123.24 3k59 h TRP 211 Ca 0.26 -0.08 -0.04 0.00 2.11 0.00 0.00 58.89 61.15 3k59 h TRP 211 Cb 0.21 -0.20 -0.03 0.00 -2.10 0.00 0.00 29.16 27.03 3k59 h TRP 211 CO 0.02 0.65 0.23 0.74 -2.79 0.00 0.00 178.44 177.30 3k59 h PHE 212 N 0.57 0.93 -0.36 2.65 0.04 -1.14 0.16 116.94 119.79 3k59 h PHE 212 Ca 0.14 -0.07 -0.01 0.00 2.80 0.00 0.00 57.97 60.83 3k59 h PHE 212 Cb 0.28 -0.28 -0.02 0.00 2.20 0.00 0.00 35.95 38.14 3k59 h PHE 212 CO 0.01 0.75 0.19 0.00 -0.60 0.00 0.00 178.31 178.66 3k59 h ALA 213 N 1.08 0.46 -0.02 2.45 0.00 -0.95 -2.05 119.26 120.23 3k59 h ALA 213 Ca 0.20 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 3k59 h ALA 213 Cb 0.22 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 3k59 h ALA 213 CO -0.01 -0.01 -0.01 -0.91 0.00 0.00 0.00 179.25 178.31 3k59 h ASN 214 N 0.45 0.05 0.49 0.00 2.35 -0.72 -3.36 115.58 114.84 3k59 h ASN 214 Ca 0.13 -0.40 0.00 0.00 -0.55 0.00 0.00 56.30 55.47 3k59 h ASN 214 Cb 0.07 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 38.42 3k59 h ASN 214 CO -0.02 0.44 -0.73 -1.22 -1.65 0.00 0.00 177.43 174.25 3k59 n TYR 215 N -4.86 0.17 -3.93 1.19 4.01 0.54 -5.03 117.16 109.26 3k59 n TYR 215 Ca -0.08 0.05 -0.37 0.00 -0.16 0.00 0.00 57.90 57.34 3k59 n TYR 215 Cb 0.22 -0.35 0.02 0.00 -0.31 0.00 0.00 39.34 38.92 3k59 n TYR 215 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 3k59 n ASP 216 N -1.74 -4.56 -4.77 7.72 2.03 -0.77 -4.94 116.55 109.52 3k59 n ASP 216 Ca 0.04 -1.14 -0.36 0.00 0.52 0.00 0.00 54.79 53.84 3k59 n ASP 216 Cb 0.38 -1.90 -0.01 0.00 -0.72 0.00 0.00 41.12 38.88 3k59 n ASP 216 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 3k59 s PRO 217 N -6.41 3.66 0.02 -0.67 0.04 -1.26 -4.95 135.00 125.42 3k59 s PRO 217 Ca 0.32 1.67 0.04 0.00 0.04 0.00 0.00 61.00 63.08 3k59 s PRO 217 Cb -0.17 -2.26 -0.24 0.00 0.04 0.00 0.00 34.50 31.86 3k59 s PRO 217 CO 0.93 -0.61 0.89 -0.44 0.04 0.00 0.00 177.00 177.82 3k59 h ASP 218 N 1.77 0.16 -3.83 6.66 3.32 -0.90 -3.46 116.42 120.13 3k59 h ASP 218 Ca -0.49 -0.24 -0.47 0.00 0.02 0.00 0.00 57.03 55.85 3k59 h ASP 218 Cb 1.25 -0.05 -0.31 0.00 0.22 0.00 0.00 39.33 40.43 3k59 h ASP 218 CO 0.59 1.20 -0.80 -0.69 -1.72 0.00 0.00 179.24 177.82 3k59 s VAL 219 N -2.63 0.96 -0.26 -1.35 1.01 -0.63 -0.86 120.40 116.65 3k59 s VAL 219 Ca -0.05 -0.46 -0.07 0.00 0.00 0.00 0.00 61.98 61.40 3k59 s VAL 219 Cb 0.08 -0.85 -0.02 0.00 0.00 0.00 0.00 36.38 35.59 3k59 s VAL 219 CO 0.83 0.29 0.07 -0.63 0.00 0.00 0.00 175.10 175.66 3k59 s ILE 220 N 0.16 4.24 0.24 2.22 1.01 0.80 -0.69 121.20 129.18 3k59 s ILE 220 Ca -0.03 -0.26 0.11 0.00 0.00 0.00 0.00 60.65 60.47 3k59 s ILE 220 Cb -0.09 -3.01 -0.05 0.00 0.01 0.00 0.00 42.46 39.32 3k59 s ILE 220 CO 0.01 0.30 -0.20 0.27 0.00 0.00 0.00 174.94 175.32 3k59 s ILE 221 N 1.60 2.25 -0.02 2.92 -4.36 0.32 -0.67 121.20 123.25 3k59 s ILE 221 Ca 0.06 -2.24 -0.06 0.00 -0.26 0.00 0.00 60.65 58.15 3k59 s ILE 221 Cb -0.15 -2.17 0.02 0.00 1.25 0.00 0.00 42.46 41.41 3k59 s ILE 221 CO 0.03 -0.36 0.26 0.61 0.24 0.00 0.00 174.94 175.72 3k59 n GLY 222 N -0.29 0.36 3.15 6.27 0.00 -1.15 -1.53 105.19 112.00 3k59 n GLY 222 Ca -0.08 -0.85 -0.33 0.00 0.00 0.00 0.00 46.02 44.76 3k59 n GLY 222 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3k59 s TRP 223 N -2.14 3.03 -1.46 1.61 -0.11 -1.26 -0.27 118.94 118.34 3k59 s TRP 223 Ca 0.06 -1.77 -0.11 0.00 1.22 0.00 0.00 56.10 55.50 3k59 s TRP 223 Cb -0.00 -1.99 0.05 0.00 -1.50 0.00 0.00 33.47 30.03 3k59 s TRP 223 CO -0.00 -0.79 1.01 -1.71 -4.62 0.00 0.00 176.95 170.83 3k59 n ASN 224 N 4.60 -5.48 0.23 5.86 5.15 -1.26 -4.85 115.26 119.51 3k59 n ASN 224 Ca -0.17 -0.63 0.06 0.00 -0.60 0.00 0.00 54.58 53.24 3k59 n ASN 224 Cb 0.47 -4.35 0.54 0.00 -0.53 0.00 0.00 39.78 35.90 3k59 n ASN 224 CO 0.00 0.00 0.00 1.62 1.40 0.00 0.00 177.26 180.28 3k59 h VAL 225 N -2.21 1.09 0.00 3.44 3.04 -1.91 -1.75 116.25 117.95 3k59 h VAL 225 Ca -0.57 -0.49 -0.04 0.00 -1.01 0.00 0.00 66.70 64.60 3k59 h VAL 225 Cb 1.37 1.26 -0.01 0.00 -2.01 0.00 0.00 31.29 31.91 3k59 h VAL 225 CO 0.62 0.14 -0.34 0.58 -1.01 0.00 0.00 177.57 177.56 3k59 h VAL 226 N 0.00 0.58 0.00 1.51 2.07 -1.95 0.13 116.25 118.59 3k59 h VAL 226 Ca -0.00 -1.52 0.00 0.00 0.82 0.00 0.00 66.70 66.00 3k59 h VAL 226 Cb 0.25 1.18 0.00 0.00 -1.52 0.00 0.00 31.29 31.20 3k59 h VAL 226 CO 0.02 0.20 0.00 1.56 0.02 0.00 0.00 177.57 179.37 3k59 h GLN 227 N -1.00 0.00 0.00 1.57 1.08 -1.95 -1.84 115.11 112.98 3k59 h GLN 227 Ca -0.06 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.14 3k59 h GLN 227 Cb 0.58 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.01 3k59 h GLN 227 CO -0.04 0.00 0.00 0.34 -0.95 0.00 0.00 178.83 178.18 3k59 n PHE 228 N -2.97 0.00 0.10 2.96 7.35 -0.66 -4.58 117.46 119.66 3k59 n PHE 228 Ca 0.01 0.00 -0.14 0.00 -0.76 0.00 0.00 57.45 56.55 3k59 n PHE 228 Cb 0.28 0.00 -0.08 0.00 0.35 0.00 0.00 39.48 40.04 3k59 n PHE 228 CO 0.00 0.00 0.00 -0.44 -0.76 0.00 0.00 176.76 175.56 3k59 h ASP 229 N 0.00 -1.30 -0.14 -2.13 3.32 -1.61 0.17 116.42 114.73 3k59 h ASP 229 Ca 0.00 0.15 -0.12 0.00 0.02 0.00 0.00 57.03 57.08 3k59 h ASP 229 Cb 0.00 0.49 -0.01 0.00 0.22 0.00 0.00 39.33 40.03 3k59 h ASP 229 CO 0.00 -0.49 -0.31 -0.07 -1.72 0.00 0.00 179.24 176.65 3k59 h LEU 230 N -0.65 0.65 -0.40 1.55 3.38 -0.82 -1.55 115.31 117.48 3k59 h LEU 230 Ca 0.02 -0.26 -0.04 0.00 0.09 0.00 0.00 57.88 57.70 3k59 h LEU 230 Cb 0.69 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.24 3k59 h LEU 230 CO -0.27 0.92 0.10 -0.09 0.09 0.00 0.00 178.44 179.19 3k59 h ARG 231 N 0.54 0.64 -0.75 1.13 2.43 -1.05 -0.82 114.38 116.50 3k59 h ARG 231 Ca 0.06 -0.15 -0.05 0.00 -0.81 0.00 0.00 59.98 59.03 3k59 h ARG 231 Cb 0.80 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 30.23 3k59 h ARG 231 CO 0.07 0.66 0.26 0.52 -1.51 0.00 0.00 179.97 179.97 3k59 h MET 232 N 0.50 1.15 -0.66 0.20 2.86 -0.55 -1.60 114.93 116.84 3k59 h MET 232 Ca 0.13 -0.23 -0.05 0.00 -2.06 0.00 0.00 59.70 57.48 3k59 h MET 232 Cb 0.31 -0.17 -0.03 0.00 0.06 0.00 0.00 31.60 31.77 3k59 h MET 232 CO 0.00 0.96 0.20 -0.07 1.06 0.00 0.00 176.91 179.06 3k59 h LEU 233 N 1.10 0.95 -0.65 1.22 3.38 -1.03 -1.72 115.31 118.57 3k59 h LEU 233 Ca 0.24 -0.17 -0.04 0.00 0.09 0.00 0.00 57.88 58.00 3k59 h LEU 233 Cb 0.28 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 3k59 h LEU 233 CO -0.01 0.89 0.23 -0.61 0.09 0.00 0.00 178.44 179.03 3k59 h GLN 234 N 0.98 1.00 -0.44 1.13 5.75 -0.80 -0.13 115.11 122.60 3k59 h GLN 234 Ca 0.22 -0.20 -0.00 0.00 -0.15 0.00 0.00 58.65 58.51 3k59 h GLN 234 Cb 0.29 -0.15 -0.02 0.00 1.07 0.00 0.00 27.48 28.67 3k59 h GLN 234 CO -0.01 0.85 0.26 0.87 -2.65 0.00 0.00 178.83 178.15 3k59 h LYS 235 N 0.93 0.60 -0.56 1.69 1.57 -0.83 -0.51 116.57 119.45 3k59 h LYS 235 Ca 0.21 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.93 3k59 h LYS 235 Cb 0.25 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.41 3k59 h LYS 235 CO -0.01 0.45 0.34 0.45 -0.57 0.00 0.00 179.45 180.11 3k59 h HIS 236 N 0.58 0.74 -0.64 -1.35 3.86 -1.01 -0.84 115.15 116.49 3k59 h HIS 236 Ca 0.16 0.00 0.02 0.00 -1.16 0.00 0.00 60.37 59.39 3k59 h HIS 236 Cb 0.01 -0.24 -0.04 0.00 1.06 0.00 0.00 27.41 28.20 3k59 h HIS 236 CO -0.03 0.50 0.40 0.00 0.86 0.00 0.00 177.93 179.66 3k59 h ALA 237 N 1.17 0.82 -0.44 2.45 0.00 -0.58 0.35 119.26 123.03 3k59 h ALA 237 Ca 0.20 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.02 3k59 h ALA 237 Cb -0.03 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 3k59 h ALA 237 CO -0.04 0.17 0.02 0.93 0.00 0.00 0.00 179.25 180.34 3k59 h GLU 238 N 0.80 0.76 -0.59 0.00 5.08 -0.81 0.48 114.58 120.31 3k59 h GLU 238 Ca 0.25 -0.23 -0.07 0.00 -1.00 0.00 0.00 59.36 58.31 3k59 h GLU 238 Cb -0.01 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.13 3k59 h GLU 238 CO -0.09 0.81 0.09 0.00 -1.00 0.00 0.00 179.01 178.83 3k59 h ARG 239 N 0.61 0.95 -0.01 2.33 3.08 -0.72 -2.80 114.38 117.82 3k59 h ARG 239 Ca 0.13 -0.23 0.00 0.00 0.07 0.00 0.00 59.98 59.94 3k59 h ARG 239 Cb 0.46 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.38 3k59 h ARG 239 CO 0.02 0.88 -0.12 0.66 -1.07 0.00 0.00 179.97 180.34 3k59 n TYR 240 N -4.23 0.00 -3.59 3.04 4.01 0.07 -4.94 117.16 111.53 3k59 n TYR 240 Ca 0.04 0.00 -0.23 0.00 -0.16 0.00 0.00 57.90 57.55 3k59 n TYR 240 Cb 0.27 -0.05 0.08 0.00 -0.31 0.00 0.00 39.34 39.33 3k59 n TYR 240 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 3k59 n ARG 241 N -0.16 -7.59 -5.16 -0.72 3.00 -0.18 -5.01 116.66 100.84 3k59 n ARG 241 Ca 0.16 0.82 -0.32 0.00 -0.01 0.00 0.00 57.85 58.50 3k59 n ARG 241 Cb 0.36 -5.85 -0.15 0.00 0.00 0.00 0.00 32.46 26.81 3k59 n ARG 241 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 3k59 s LEU 242 N -7.14 2.28 0.24 0.55 1.43 -0.02 -5.04 118.68 110.99 3k59 s LEU 242 Ca 0.48 -0.40 -0.30 0.00 -1.03 0.00 0.00 54.13 52.89 3k59 s LEU 242 Cb -0.22 -1.42 -0.09 0.00 0.03 0.00 0.00 46.19 44.49 3k59 s LEU 242 CO 0.74 0.30 1.19 -2.84 0.23 0.00 0.00 176.35 175.97 3k59 s PRO 243 N -0.49 4.51 -0.70 1.29 0.02 -1.26 -4.45 135.00 133.92 3k59 s PRO 243 Ca 0.06 1.92 -0.12 0.00 0.02 0.00 0.00 61.00 62.88 3k59 s PRO 243 Cb -0.11 -3.19 0.18 0.00 0.02 0.00 0.00 34.50 31.40 3k59 s PRO 243 CO 0.01 -0.01 0.61 -1.17 -0.33 0.00 0.00 177.00 176.11 3k59 s LEU 244 N -0.90 6.28 -1.25 -5.54 2.96 -1.26 -4.99 118.68 113.98 3k59 s LEU 244 Ca 0.50 -2.45 -0.12 0.00 -0.22 0.00 0.00 54.13 51.83 3k59 s LEU 244 Cb -0.34 -2.13 0.16 0.00 0.50 0.00 0.00 46.19 44.38 3k59 s LEU 244 CO 0.41 -0.61 1.65 0.54 -1.32 0.00 0.00 176.35 177.02 3k59 n ARG 245 N 4.25 3.43 0.00 1.98 1.74 -1.26 -1.04 116.66 125.76 3k59 n ARG 245 Ca 0.05 -3.64 0.13 0.00 -0.77 0.00 0.00 57.85 53.61 3k59 n ARG 245 Cb 0.43 -3.04 0.25 0.00 -1.02 0.00 0.00 32.46 29.08 3k59 n ARG 245 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3k59 n LEU 246 N 5.17 2.18 -4.96 0.55 4.77 -1.10 -4.77 117.00 118.85 3k59 n LEU 246 Ca 0.39 -0.73 -0.23 0.00 -0.03 0.00 0.00 56.01 55.42 3k59 n LEU 246 Cb 0.40 -0.01 -0.02 0.00 -2.33 0.00 0.00 43.42 41.46 3k59 n LEU 246 CO 0.72 0.37 -0.00 -0.83 -1.33 0.00 0.00 177.39 176.32 3k59 s GLY 247 N -2.12 1.34 0.88 -0.72 0.00 -0.17 -4.79 107.32 101.74 3k59 s GLY 247 Ca 0.29 -1.12 -0.11 0.00 0.00 0.00 0.00 44.72 43.79 3k59 s GLY 247 CO 0.37 -1.11 1.09 0.50 0.00 0.00 0.00 173.10 173.95 3k59 s ARG 248 N -3.90 1.36 -1.39 2.90 0.52 0.91 -2.11 118.95 117.24 3k59 s ARG 248 Ca 0.35 0.91 -0.04 0.00 -0.52 0.00 0.00 55.73 56.44 3k59 s ARG 248 Cb -0.10 -1.81 0.00 0.00 0.52 0.00 0.00 34.95 33.57 3k59 s ARG 248 CO 0.30 -2.19 0.46 -3.47 0.02 0.00 0.00 175.30 170.42 3k59 n ASP 249 N -3.86 -5.54 -4.10 0.23 2.03 -1.26 -2.72 116.55 101.32 3k59 n ASP 249 Ca 0.07 -0.22 -0.30 0.00 0.52 0.00 0.00 54.79 54.87 3k59 n ASP 249 Cb 0.55 -4.40 -0.04 0.00 -0.72 0.00 0.00 41.12 36.51 3k59 n ASP 249 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 3k59 n ASN 250 N -1.91 -0.90 -4.91 1.67 4.13 -1.18 -4.95 115.26 107.21 3k59 n ASN 250 Ca -0.12 -1.06 -0.24 0.00 1.68 0.00 0.00 54.58 54.85 3k59 n ASN 250 Cb 0.61 -2.70 -0.03 0.00 -1.54 0.00 0.00 39.78 36.13 3k59 n ASN 250 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 3k59 s SER 251 N -4.07 6.09 0.38 6.41 1.04 -0.90 -4.96 113.70 117.69 3k59 s SER 251 Ca 0.21 0.03 -0.24 0.00 0.48 0.00 0.00 55.95 56.42 3k59 s SER 251 Cb -0.12 -1.75 -0.09 0.00 0.10 0.00 0.00 66.02 64.16 3k59 s SER 251 CO 0.92 -0.00 1.02 -1.61 0.98 0.00 0.00 173.24 174.55 3k59 s GLU 252 N -3.57 4.28 0.36 4.02 2.02 -1.26 -1.00 118.70 123.56 3k59 s GLU 252 Ca 0.34 1.45 -0.28 0.00 0.02 0.00 0.00 54.97 56.49 3k59 s GLU 252 Cb -0.10 -2.60 -0.11 0.00 0.10 0.00 0.00 34.13 31.43 3k59 s GLU 252 CO 0.27 -0.02 1.44 -1.17 0.02 0.00 0.00 175.26 175.80 3k59 s LEU 253 N -2.50 4.35 0.25 1.80 2.96 -0.20 -4.64 118.68 120.69 3k59 s LEU 253 Ca 0.56 2.94 0.11 0.00 -0.22 0.00 0.00 54.13 57.52 3k59 s LEU 253 Cb -0.21 -3.66 -0.05 0.00 0.50 0.00 0.00 46.19 42.78 3k59 s LEU 253 CO 0.26 -0.78 -0.16 -1.61 -1.32 0.00 0.00 176.35 172.74 3k59 s GLU 254 N -1.97 1.80 -0.03 1.98 2.02 0.48 -4.96 118.70 118.02 3k59 s GLU 254 Ca 0.52 -1.59 0.04 0.00 0.02 0.00 0.00 54.97 53.96 3k59 s GLU 254 Cb -0.45 -1.90 -0.00 0.00 0.10 0.00 0.00 34.13 31.88 3k59 s GLU 254 CO 0.60 0.37 -0.14 -1.58 0.02 0.00 0.00 175.26 174.52 3k59 s TRP 255 N -2.18 1.37 -0.01 1.61 0.52 -1.26 -0.05 118.94 118.93 3k59 s TRP 255 Ca 0.27 -0.33 0.04 0.00 0.02 0.00 0.00 56.10 56.10 3k59 s TRP 255 Cb -0.06 -0.92 -0.01 0.00 -1.15 0.00 0.00 33.47 31.33 3k59 s TRP 255 CO 0.15 -0.09 -0.12 1.03 0.02 0.00 0.00 176.95 177.93 3k59 s ARG 256 N -0.08 1.04 0.39 4.98 1.81 -0.03 -4.92 118.95 122.14 3k59 s ARG 256 Ca 0.00 -0.43 -0.24 0.00 -1.72 0.00 0.00 55.73 53.35 3k59 s ARG 256 Cb -0.08 -0.99 -0.09 0.00 -0.45 0.00 0.00 34.95 33.34 3k59 s ARG 256 CO 0.01 0.24 1.02 -2.00 -0.68 0.00 0.00 175.30 173.88 3k59 s GLU 257 N -0.19 4.25 0.42 3.54 2.12 -1.26 0.82 118.70 128.40 3k59 s GLU 257 Ca 0.03 1.43 -0.26 0.00 0.36 0.00 0.00 54.97 56.53 3k59 s GLU 257 Cb -0.06 -2.55 -0.09 0.00 0.26 0.00 0.00 34.13 31.69 3k59 s GLU 257 CO -0.00 -0.05 1.43 -1.58 -0.54 0.00 0.00 175.26 174.52 3k59 s HIS 258 N -1.71 2.55 0.30 5.30 5.65 0.49 -4.87 115.29 123.00 3k59 s HIS 258 Ca 0.57 1.25 0.04 0.00 0.25 0.00 0.00 55.06 57.17 3k59 s HIS 258 Cb -0.20 -3.92 0.68 0.00 -1.18 0.00 0.00 32.58 27.96 3k59 s HIS 258 CO 0.25 -2.84 1.81 0.78 -0.65 0.00 0.00 174.74 174.09 3k59 h GLY 259 N 2.61 1.69 0.00 1.59 0.00 -1.94 -3.34 103.07 103.68 3k59 h GLY 259 Ca -0.51 -0.38 0.00 0.00 0.00 0.00 0.00 47.33 46.44 3k59 h GLY 259 CO 0.62 0.04 -0.06 1.97 0.00 0.00 0.00 176.54 179.11 3k59 n PHE 260 N -4.69 0.00 -3.46 5.60 1.16 -1.26 -4.98 117.46 109.83 3k59 n PHE 260 Ca 0.21 0.00 -0.43 0.00 -1.87 0.00 0.00 57.45 55.36 3k59 n PHE 260 Cb 0.48 0.00 -0.08 0.00 -1.61 0.00 0.00 39.48 38.27 3k59 n PHE 260 CO 0.00 0.00 0.00 0.15 -1.87 0.00 0.00 176.76 175.04 3k59 s LYS 261 N -0.53 2.83 0.36 3.97 1.02 -1.25 -5.06 119.74 121.08 3k59 s LYS 261 Ca 0.00 -1.46 -0.26 0.00 0.02 0.00 0.00 55.97 54.28 3k59 s LYS 261 Cb 0.00 -4.03 -0.09 0.00 -0.52 0.00 0.00 37.83 33.19 3k59 s LYS 261 CO 0.00 -1.05 1.06 -0.80 -0.92 0.00 0.00 175.35 173.63 3k59 s ASN 262 N 2.58 6.91 0.00 2.83 0.01 -1.26 -3.51 114.94 122.50 3k59 s ASN 262 Ca 0.04 2.09 0.00 0.00 -0.71 0.00 0.00 52.86 54.28 3k59 s ASN 262 Cb -0.25 -2.60 0.00 0.00 0.41 0.00 0.00 41.25 38.82 3k59 s ASN 262 CO 0.04 -0.38 0.00 0.61 -1.51 0.00 0.00 177.10 175.86 3k59 n GLY 263 N 0.59 0.59 3.32 0.66 0.00 -1.26 -5.05 105.19 104.04 3k59 n GLY 263 Ca 0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.72 3k59 n GLY 263 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3k59 s VAL 264 N -2.34 2.98 -0.01 1.61 -7.23 -1.23 -5.06 120.40 109.12 3k59 s VAL 264 Ca 0.00 -0.66 0.07 0.00 -1.81 0.00 0.00 61.98 59.58 3k59 s VAL 264 Cb 0.00 -2.28 -0.02 0.00 0.56 0.00 0.00 36.38 34.63 3k59 s VAL 264 CO 0.00 0.50 -0.23 -0.36 -0.31 0.00 0.00 175.10 174.70 3k59 s PHE 265 N 0.79 2.44 -0.10 2.82 0.08 -1.26 -0.38 117.98 122.37 3k59 s PHE 265 Ca -0.04 -0.35 -0.05 0.00 0.12 0.00 0.00 56.93 56.60 3k59 s PHE 265 Cb -0.15 -1.51 -0.04 0.00 -0.57 0.00 0.00 43.02 40.76 3k59 s PHE 265 CO 0.01 0.07 0.10 -0.06 -0.10 0.00 0.00 175.22 175.24 3k59 s PHE 266 N -0.71 3.47 0.09 0.36 0.08 0.24 -4.87 117.98 116.64 3k59 s PHE 266 Ca 0.11 0.42 -0.16 0.00 0.12 0.00 0.00 56.93 57.43 3k59 s PHE 266 Cb -0.10 -1.89 -0.07 0.00 -0.57 0.00 0.00 43.02 40.39 3k59 s PHE 266 CO 0.01 0.66 0.52 0.00 -0.10 0.00 0.00 175.22 176.30 3k59 s ALA 267 N -1.00 3.61 -0.03 5.36 0.00 -1.26 -0.85 121.76 127.59 3k59 s ALA 267 Ca 0.15 -0.11 0.00 0.00 0.00 0.00 0.00 51.96 52.00 3k59 s ALA 267 Cb -0.12 -2.52 0.03 0.00 0.00 0.00 0.00 23.12 20.51 3k59 s ALA 267 CO 0.04 0.45 0.01 -0.65 0.00 0.00 0.00 175.76 175.61 3k59 s GLN 268 N -1.52 0.23 -0.19 0.00 -0.21 0.92 -4.96 119.66 113.94 3k59 s GLN 268 Ca 0.32 0.10 0.01 0.00 0.02 0.00 0.00 55.36 55.81 3k59 s GLN 268 Cb -0.17 -0.44 0.03 0.00 1.00 0.00 0.00 33.01 33.43 3k59 s GLN 268 CO 0.18 -0.15 -0.15 0.00 -2.12 0.00 0.00 175.29 173.06 3k59 s ALA 269 N 1.06 2.13 0.13 6.09 0.00 -1.26 -0.39 121.76 129.53 3k59 s ALA 269 Ca -0.09 -1.19 -0.35 0.00 0.00 0.00 0.00 51.96 50.33 3k59 s ALA 269 Cb -0.13 -1.22 -0.15 0.00 0.00 0.00 0.00 23.12 21.62 3k59 s ALA 269 CO -0.02 -0.58 1.48 1.17 0.00 0.00 0.00 175.76 177.81 3k59 n LYS 270 N 4.66 1.74 -0.94 0.00 4.81 -1.26 -1.71 118.16 125.46 3k59 n LYS 270 Ca -0.17 0.63 0.00 0.00 -0.87 0.00 0.00 58.31 57.89 3k59 n LYS 270 Cb 0.48 -2.34 0.00 0.00 0.02 0.00 0.00 35.03 33.19 3k59 n LYS 270 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3k59 n GLY 271 N 3.04 0.38 3.13 3.14 0.00 -1.26 -0.06 105.19 113.55 3k59 n GLY 271 Ca 0.17 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.06 3k59 n GLY 271 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3k59 s ARG 272 N -0.70 0.71 0.01 1.61 0.52 -0.69 -4.84 118.95 115.57 3k59 s ARG 272 Ca 0.00 -1.01 -0.05 0.00 -0.52 0.00 0.00 55.73 54.15 3k59 s ARG 272 Cb 0.00 -0.39 -0.05 0.00 0.52 0.00 0.00 34.95 35.04 3k59 s ARG 272 CO 0.00 0.06 0.25 -0.51 0.02 0.00 0.00 175.30 175.11 3k59 s LEU 273 N -2.16 4.36 -0.22 2.53 1.43 -0.04 -4.52 118.68 120.07 3k59 s LEU 273 Ca -0.00 0.49 0.02 0.00 -1.03 0.00 0.00 54.13 53.60 3k59 s LEU 273 Cb -0.05 -2.70 0.04 0.00 0.03 0.00 0.00 46.19 43.51 3k59 s LEU 273 CO -0.01 0.24 -0.15 -0.63 0.23 0.00 0.00 176.35 176.04 3k59 s ILE 274 N -1.33 2.19 -0.24 -0.59 1.01 -1.26 -0.14 121.20 120.84 3k59 s ILE 274 Ca 0.28 -1.23 0.02 0.00 0.00 0.00 0.00 60.65 59.72 3k59 s ILE 274 Cb -0.13 -2.09 0.05 0.00 0.01 0.00 0.00 42.46 40.30 3k59 s ILE 274 CO 0.18 0.27 -0.13 -0.63 0.00 0.00 0.00 174.94 174.63 3k59 s ILE 275 N 1.22 2.08 -0.11 2.92 -1.09 0.16 -4.83 121.20 121.54 3k59 s ILE 275 Ca -0.01 -1.41 -0.28 0.00 -2.23 0.00 0.00 60.65 56.71 3k59 s ILE 275 Cb -0.16 -2.12 -0.02 0.00 -1.58 0.00 0.00 42.46 38.58 3k59 s ILE 275 CO -0.09 0.12 0.94 -0.62 -1.23 0.00 0.00 174.94 174.06 3k59 s ASP 276 N 1.18 7.17 0.29 3.58 2.15 -1.26 -2.94 116.67 126.82 3k59 s ASP 276 Ca -0.05 1.43 -0.02 0.00 0.43 0.00 0.00 52.55 54.34 3k59 s ASP 276 Cb -0.18 -2.52 0.42 0.00 -0.30 0.00 0.00 42.92 40.33 3k59 s ASP 276 CO -0.07 -0.40 1.94 1.23 -0.17 0.00 0.00 175.17 177.70 3k59 h GLY 277 N 7.89 1.29 0.88 2.66 0.00 -1.02 -1.85 103.07 112.92 3k59 h GLY 277 Ca -0.32 -0.46 -0.01 0.00 0.00 0.00 0.00 47.33 46.54 3k59 h GLY 277 CO 0.83 0.41 -0.10 -2.22 0.00 0.00 0.00 176.54 175.46 3k59 h ILE 278 N 1.17 0.83 -0.43 2.60 2.04 -1.92 -1.09 117.51 120.70 3k59 h ILE 278 Ca 0.35 -0.26 -0.09 0.00 1.00 0.00 0.00 64.86 65.87 3k59 h ILE 278 Cb -0.04 0.99 -0.02 0.00 -0.74 0.00 0.00 36.82 37.01 3k59 h ILE 278 CO -0.09 0.06 -0.09 -0.33 0.00 0.00 0.00 178.15 177.70 3k59 h GLU 279 N -0.42 0.76 -0.15 2.37 4.39 -1.95 -2.35 114.58 117.23 3k59 h GLU 279 Ca -0.03 -0.24 -0.00 0.00 0.34 0.00 0.00 59.36 59.43 3k59 h GLU 279 Cb 0.32 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.89 3k59 h GLU 279 CO 0.05 0.83 0.08 0.00 -1.16 0.00 0.00 179.01 178.81 3k59 h ALA 280 N 1.21 0.20 -0.67 3.43 0.00 -1.19 -1.10 119.26 121.13 3k59 h ALA 280 Ca 0.12 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 3k59 h ALA 280 Cb 0.55 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 3k59 h ALA 280 CO 0.03 -0.25 0.23 -0.07 0.00 0.00 0.00 179.25 179.19 3k59 h LEU 281 N 0.13 0.94 -0.92 0.00 3.38 -1.15 -1.99 115.31 115.70 3k59 h LEU 281 Ca 0.05 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 57.85 3k59 h LEU 281 Cb 0.10 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.57 3k59 h LEU 281 CO -0.01 0.87 0.47 0.11 0.09 0.00 0.00 178.44 179.97 3k59 h LYS 282 N 0.98 1.23 0.00 1.13 1.57 -1.21 -0.72 116.57 119.56 3k59 h LYS 282 Ca 0.22 -0.15 -0.02 0.00 -1.87 0.00 0.00 60.65 58.83 3k59 h LYS 282 Cb 0.25 -0.24 -0.00 0.00 0.08 0.00 0.00 32.23 32.32 3k59 h LYS 282 CO -0.01 0.91 -0.07 0.66 -0.57 0.00 0.00 179.45 180.37 3k59 h SER 283 N 1.23 0.00 -0.58 0.86 4.64 -0.50 -0.93 113.55 118.27 3k59 h SER 283 Ca 0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.63 3k59 h SER 283 Cb 0.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.14 3k59 h SER 283 CO -0.05 0.07 0.00 0.00 -0.87 0.00 0.00 176.83 175.99 3k59 n ALA 284 N -2.19 2.88 -1.33 5.18 0.00 -0.38 -4.94 120.51 119.73 3k59 n ALA 284 Ca -0.01 -1.31 -0.11 0.00 0.00 0.00 0.00 53.44 52.00 3k59 n ALA 284 Cb 0.23 -1.01 -0.05 0.00 0.00 0.00 0.00 19.45 18.62 3k59 n ALA 284 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3k59 n PHE 285 N 1.05 0.00 -2.58 0.00 3.72 -0.35 -4.79 117.46 114.51 3k59 n PHE 285 Ca 0.22 0.00 -0.37 0.00 -0.05 0.00 0.00 57.45 57.25 3k59 n PHE 285 Cb 0.73 -2.21 -0.05 0.00 -0.94 0.00 0.00 39.48 37.02 3k59 n PHE 285 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 176.76 175.13 3k59 s TRP 286 N -2.35 3.38 0.03 1.38 0.52 -0.61 -5.01 118.94 116.29 3k59 s TRP 286 Ca 0.00 1.68 0.02 0.00 0.02 0.00 0.00 56.10 57.82 3k59 s TRP 286 Cb 0.00 -3.11 -0.02 0.00 -1.15 0.00 0.00 33.47 29.19 3k59 s TRP 286 CO 0.00 -0.46 -0.08 1.21 0.02 0.00 0.00 176.95 177.65 3k59 s ASN 287 N -1.50 0.85 0.13 2.95 3.84 -1.26 -4.48 114.94 115.47 3k59 s ASN 287 Ca 0.55 -0.46 -0.06 0.00 0.21 0.00 0.00 52.86 53.10 3k59 s ASN 287 Cb -0.22 0.01 -0.02 0.00 -0.55 0.00 0.00 41.25 40.47 3k59 s ASN 287 CO 0.28 -0.14 0.18 -0.36 -2.79 0.00 0.00 177.10 174.28 3k59 s PHE 288 N -1.11 0.49 0.43 0.43 0.08 -1.26 -5.03 117.98 112.01 3k59 s PHE 288 Ca -0.07 -0.88 0.12 0.00 0.12 0.00 0.00 56.93 56.22 3k59 s PHE 288 Cb -0.08 -0.20 1.00 0.00 -0.57 0.00 0.00 43.02 43.17 3k59 s PHE 288 CO 0.00 -0.61 2.01 0.66 -0.10 0.00 0.00 175.22 177.18 3k59 h SER 289 N 2.71 0.38 -5.02 1.36 4.64 -2.01 -3.43 113.55 112.18 3k59 h SER 289 Ca -0.33 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 60.93 3k59 h SER 289 Cb 1.21 -0.08 -0.16 0.00 -0.31 0.00 0.00 62.40 63.06 3k59 h SER 289 CO 0.54 0.24 0.02 -0.55 -0.87 0.00 0.00 176.83 176.21 3k59 s SER 290 N -6.38 -0.42 -0.20 4.97 0.15 -1.26 -5.06 113.70 105.50 3k59 s SER 290 Ca -0.08 0.17 0.12 0.00 0.70 0.00 0.00 55.95 56.86 3k59 s SER 290 Cb 0.19 0.48 0.70 0.00 -1.71 0.00 0.00 66.02 65.68 3k59 s SER 290 CO 0.74 -0.70 1.56 0.49 1.20 0.00 0.00 173.24 176.53 3k59 n PHE 291 N 0.46 1.78 -2.03 3.44 3.72 -1.26 -4.33 117.46 119.23 3k59 n PHE 291 Ca -0.18 -0.61 -0.35 0.00 -0.05 0.00 0.00 57.45 56.25 3k59 n PHE 291 Cb 0.60 -0.45 0.03 0.00 -0.94 0.00 0.00 39.48 38.71 3k59 n PHE 291 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 3k59 s SER 292 N -0.66 5.36 0.27 4.37 1.04 -1.26 -4.82 113.70 118.01 3k59 s SER 292 Ca 0.46 2.18 -0.03 0.00 0.48 0.00 0.00 55.95 59.05 3k59 s SER 292 Cb 0.35 -2.58 0.38 0.00 0.10 0.00 0.00 66.02 64.28 3k59 s SER 292 CO 0.14 -1.46 1.92 0.25 0.98 0.00 0.00 173.24 175.06 3k59 h LEU 293 N 0.74 1.05 -0.18 2.42 5.85 -1.99 -1.54 115.31 121.66 3k59 h LEU 293 Ca -0.49 -0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.23 3k59 h LEU 293 Cb 1.27 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 42.04 3k59 h LEU 293 CO 0.55 0.72 0.07 1.05 -0.34 0.00 0.00 178.44 180.49 3k59 h GLU 294 N 1.22 0.16 -0.03 1.25 4.11 -1.97 -0.21 114.58 119.10 3k59 h GLU 294 Ca 0.38 -0.01 -0.01 0.00 0.07 0.00 0.00 59.36 59.79 3k59 h GLU 294 Cb -0.01 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.20 3k59 h GLU 294 CO -0.11 0.10 -0.00 1.15 0.07 0.00 0.00 179.01 180.22 3k59 h THR 295 N 0.16 1.26 -0.86 -1.06 2.02 -1.76 -1.63 112.91 111.04 3k59 h THR 295 Ca 0.08 -0.79 -0.01 0.00 0.77 0.00 0.00 66.41 66.45 3k59 h THR 295 Cb 0.04 1.73 -0.04 0.00 -1.74 0.00 0.00 68.15 68.14 3k59 h THR 295 CO -0.07 0.21 0.49 0.58 0.37 0.00 0.00 175.52 177.10 3k59 h VAL 296 N -0.26 1.25 -0.65 3.16 2.07 -1.23 -0.73 116.25 119.86 3k59 h VAL 296 Ca 0.01 -0.59 -0.05 0.00 0.82 0.00 0.00 66.70 66.89 3k59 h VAL 296 Cb 0.34 0.07 -0.03 0.00 -1.52 0.00 0.00 31.29 30.15 3k59 h VAL 296 CO 0.00 0.27 0.23 0.00 0.02 0.00 0.00 177.57 178.10 3k59 h ALA 297 N 1.26 0.85 -0.36 1.67 0.00 -1.00 0.39 119.26 122.08 3k59 h ALA 297 Ca 0.31 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 3k59 h ALA 297 Cb 0.00 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 3k59 h ALA 297 CO -0.05 0.50 -0.05 0.37 0.00 0.00 0.00 179.25 180.02 3k59 h GLN 298 N 0.94 0.67 -0.32 0.00 4.15 -0.78 0.16 115.11 119.92 3k59 h GLN 298 Ca 0.21 -0.24 -0.12 0.00 0.77 0.00 0.00 58.65 59.28 3k59 h GLN 298 Cb 0.25 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 27.89 3k59 h GLN 298 CO -0.01 0.81 -0.25 0.93 -1.93 0.00 0.00 178.83 178.37 3k59 h GLU 299 N 0.47 0.74 0.20 1.69 5.08 -0.97 -1.63 114.58 120.17 3k59 h GLU 299 Ca 0.10 -0.37 -0.33 0.00 -1.00 0.00 0.00 59.36 57.76 3k59 h GLU 299 Cb 0.54 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.81 3k59 h GLU 299 CO 0.03 0.99 -1.58 -0.07 -1.00 0.00 0.00 179.01 177.38 3k59 h LEU 300 N 0.51 0.67 0.00 1.33 3.38 -0.96 -3.40 115.31 116.84 3k59 h LEU 300 Ca 0.06 -0.93 0.00 0.00 0.09 0.00 0.00 57.88 57.10 3k59 h LEU 300 Cb 0.82 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.35 3k59 h LEU 300 CO 0.07 1.73 -0.69 0.18 0.09 0.00 0.00 178.44 179.82 3k59 n LEU 301 N -3.70 0.64 -0.37 1.67 4.77 0.52 -5.00 117.00 115.53 3k59 n LEU 301 Ca -0.22 -0.49 -0.04 0.00 -0.03 0.00 0.00 56.01 55.23 3k59 n LEU 301 Cb 1.06 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 42.13 3k59 n LEU 301 CO 0.54 0.16 -0.04 0.61 -1.33 0.00 0.00 177.39 177.32 3k59 n GLY 302 N 1.34 0.60 3.72 -0.72 0.00 -0.61 -4.98 105.19 104.54 3k59 n GLY 302 Ca 0.02 -0.83 -0.41 0.00 0.00 0.00 0.00 46.02 44.80 3k59 n GLY 302 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3k59 s GLU 303 N -2.79 4.55 0.45 1.61 0.41 -1.22 -4.96 118.70 116.75 3k59 s GLU 303 Ca 0.00 1.29 -0.23 0.00 -0.41 0.00 0.00 54.97 55.62 3k59 s GLU 303 Cb 0.00 -3.44 -0.08 0.00 -1.78 0.00 0.00 34.13 28.84 3k59 s GLU 303 CO 0.00 0.04 1.15 0.20 -0.49 0.00 0.00 175.26 176.16 3k59 s GLY 304 N 0.73 2.78 0.78 -1.39 0.00 -1.26 -3.86 107.32 105.09 3k59 s GLY 304 Ca 0.47 0.90 -0.11 0.00 0.00 0.00 0.00 44.72 45.99 3k59 s GLY 304 CO 0.26 1.36 1.10 0.54 0.00 0.00 0.00 173.10 176.36 3k59 s LYS 305 N -2.64 2.19 0.00 2.90 -0.14 -1.26 -5.01 119.74 115.79 3k59 s LYS 305 Ca 0.62 1.21 0.00 0.00 -1.36 0.00 0.00 55.97 56.44 3k59 s LYS 305 Cb -0.28 -1.89 0.00 0.00 -1.68 0.00 0.00 37.83 33.99 3k59 s LYS 305 CO 0.34 -1.70 0.00 0.45 -0.76 0.00 0.00 175.35 173.68 3k59 n SER 306 N -3.51 0.00 0.00 2.83 2.88 -1.26 -5.19 113.62 109.36 3k59 n SER 306 Ca 0.09 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.63 3k59 n SER 306 Cb 0.53 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.99 3k59 n SER 306 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 3k59 n ASP 308 N 0.00 0.00 0.00 -3.46 2.03 -1.26 -5.16 116.55 108.70 3k59 n ASP 308 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 3k59 n ASP 308 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 3k59 n ASP 308 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 3k59 n ASN 309 N 0.00 0.00 -0.21 1.67 2.85 -1.26 -4.75 115.26 113.56 3k59 n ASN 309 Ca 0.00 0.00 0.08 0.00 -0.11 0.00 0.00 54.58 54.55 3k59 n ASN 309 Cb 0.00 0.00 0.35 0.00 1.24 0.00 0.00 39.78 41.37 3k59 n ASN 309 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 3k59 h PRO 310 N 0.00 0.74 -0.29 1.20 0.13 -2.02 0.60 132.00 132.37 3k59 h PRO 310 Ca 0.00 -0.04 -0.03 0.00 -0.87 0.00 0.00 66.00 65.05 3k59 h PRO 310 Cb 0.00 -0.17 -0.01 0.00 0.13 0.00 0.00 31.00 30.95 3k59 h PRO 310 CO 0.00 0.49 0.06 -1.49 -0.23 0.00 0.00 178.00 176.83 3k59 h TRP 311 N 0.76 0.49 0.00 1.56 4.06 -1.99 0.29 115.95 121.13 3k59 h TRP 311 Ca 0.35 -0.06 -0.14 0.00 2.06 0.00 0.00 58.89 61.10 3k59 h TRP 311 Cb 0.36 -0.14 -0.02 0.00 -1.00 0.00 0.00 29.16 28.36 3k59 h TRP 311 CO -0.00 0.55 -0.66 -0.44 -3.56 0.00 0.00 178.44 174.32 3k59 h ASP 312 N 0.30 0.00 -0.25 -3.49 3.32 -1.71 -1.97 116.42 112.61 3k59 h ASP 312 Ca 0.09 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.10 3k59 h ASP 312 Cb 0.31 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.85 3k59 h ASP 312 CO 0.00 0.66 -0.00 -0.09 -1.72 0.00 0.00 179.24 178.09 3k59 h ARG 313 N 0.00 0.45 -0.52 3.56 2.43 0.57 0.78 114.38 121.65 3k59 h ARG 313 Ca -0.01 -0.14 -0.02 0.00 -0.81 0.00 0.00 59.98 59.00 3k59 h ARG 313 Cb 1.23 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.72 3k59 h ARG 313 CO 0.09 0.62 0.25 1.98 -1.51 0.00 0.00 179.97 181.40 3k59 h MET 314 N 0.23 0.75 -0.77 0.20 4.05 -0.32 -0.46 114.93 118.61 3k59 h MET 314 Ca 0.07 -0.11 -0.05 0.00 -0.28 0.00 0.00 59.70 59.33 3k59 h MET 314 Cb 0.42 -0.14 -0.03 0.00 -0.80 0.00 0.00 31.60 31.05 3k59 h MET 314 CO 0.01 0.62 0.29 -0.44 0.23 0.00 0.00 176.91 177.63 3k59 h ASP 315 N 0.70 1.07 -0.66 1.39 3.32 -1.22 -1.32 116.42 119.69 3k59 h ASP 315 Ca 0.18 -0.17 -0.07 0.00 0.02 0.00 0.00 57.03 56.99 3k59 h ASP 315 Cb 0.12 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.36 3k59 h ASP 315 CO -0.02 0.95 0.13 -0.08 -1.72 0.00 0.00 179.24 178.50 3k59 h GLU 316 N 1.12 1.07 -0.60 3.56 4.57 -0.41 -0.06 114.58 123.82 3k59 h GLU 316 Ca 0.26 -0.27 -0.05 0.00 -1.18 0.00 0.00 59.36 58.12 3k59 h GLU 316 Cb 0.23 -0.13 -0.03 0.00 -0.16 0.00 0.00 28.75 28.66 3k59 h GLU 316 CO -0.02 0.97 0.20 0.82 -1.18 0.00 0.00 179.01 179.80 3k59 h ILE 317 N 0.99 1.24 -0.48 2.32 2.04 -0.74 0.35 117.51 123.24 3k59 h ILE 317 Ca 0.20 -0.81 -0.03 0.00 1.00 0.00 0.00 64.86 65.23 3k59 h ILE 317 Cb 0.40 0.63 -0.02 0.00 -0.74 0.00 0.00 36.82 37.09 3k59 h ILE 317 CO 0.01 0.31 0.18 0.44 0.00 0.00 0.00 178.15 179.09 3k59 h ASP 318 N 0.85 0.66 -0.50 1.72 3.32 -0.94 -1.69 116.42 119.84 3k59 h ASP 318 Ca 0.20 -0.18 0.00 0.00 0.02 0.00 0.00 57.03 57.07 3k59 h ASP 318 Cb 0.27 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.62 3k59 h ASP 318 CO -0.01 0.66 0.32 -0.09 -1.72 0.00 0.00 179.24 178.40 3k59 h ARG 319 N 0.63 0.67 -0.72 3.56 2.43 -0.70 0.04 114.38 120.30 3k59 h ARG 319 Ca 0.16 -0.05 -0.04 0.00 -0.81 0.00 0.00 59.98 59.24 3k59 h ARG 319 Cb 0.21 -0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 29.58 3k59 h ARG 319 CO -0.01 0.46 0.30 0.00 -1.51 0.00 0.00 179.97 179.21 3k59 h ARG 320 N 0.68 1.05 -0.40 0.20 3.08 -0.71 0.70 114.38 118.97 3k59 h ARG 320 Ca 0.18 -0.17 -0.13 0.00 0.07 0.00 0.00 59.98 59.93 3k59 h ARG 320 Cb -0.05 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 29.81 3k59 h ARG 320 CO -0.04 0.85 -0.26 0.35 -1.07 0.00 0.00 179.97 179.80 3k59 h PHE 321 N 1.04 1.03 -0.38 3.04 3.57 -0.87 0.58 116.94 124.95 3k59 h PHE 321 Ca 0.24 -0.28 -0.09 0.00 3.53 0.00 0.00 57.97 61.38 3k59 h PHE 321 Cb 0.18 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 38.68 3k59 h PHE 321 CO 0.02 1.07 -0.11 0.00 -2.23 0.00 0.00 178.31 177.06 3k59 h ALA 322 N 0.80 0.52 0.00 2.41 0.00 -0.55 -3.41 119.26 119.04 3k59 h ALA 322 Ca 0.08 -0.32 -0.27 0.00 0.00 0.00 0.00 54.91 54.41 3k59 h ALA 322 Cb 0.84 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.44 3k59 h ALA 322 CO 0.07 0.40 -2.00 0.39 0.00 0.00 0.00 179.25 178.11 3k59 n GLU 323 N -4.35 0.44 -3.41 0.00 1.02 0.24 -4.95 120.64 109.62 3k59 n GLU 323 Ca -0.02 0.10 -0.27 0.00 -0.02 0.00 0.00 57.16 56.96 3k59 n GLU 323 Cb 0.36 -1.34 -0.10 0.00 -0.02 0.00 0.00 31.44 30.34 3k59 n GLU 323 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 3k59 n ASP 324 N -3.05 -0.28 0.11 1.62 -0.08 0.19 -4.08 116.55 110.98 3k59 n ASP 324 Ca -0.31 -2.43 0.06 0.00 -1.51 0.00 0.00 54.79 50.59 3k59 n ASP 324 Cb 0.83 -0.56 0.51 0.00 2.34 0.00 0.00 41.12 44.24 3k59 n ASP 324 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 3k59 h LYS 325 N 5.55 0.32 -0.59 -0.67 1.57 -1.49 -1.41 116.57 119.86 3k59 h LYS 325 Ca 0.26 -0.02 -0.06 0.00 -1.87 0.00 0.00 60.65 58.96 3k59 h LYS 325 Cb 0.90 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 33.11 3k59 h LYS 325 CO 0.39 0.21 0.13 -1.35 -0.57 0.00 0.00 179.45 178.26 3k59 h PRO 326 N 0.33 0.93 -0.38 3.15 0.11 -1.87 0.09 132.00 134.35 3k59 h PRO 326 Ca 0.09 -0.21 -0.07 0.00 0.11 0.00 0.00 66.00 65.92 3k59 h PRO 326 Cb -0.04 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 30.92 3k59 h PRO 326 CO -0.02 0.84 -0.04 0.00 -0.21 0.00 0.00 178.00 178.57 3k59 h ALA 327 N 1.25 1.21 -0.23 -0.75 0.00 -1.61 0.01 119.26 119.15 3k59 h ALA 327 Ca 0.19 -0.25 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 3k59 h ALA 327 Cb 0.34 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3k59 h ALA 327 CO 0.00 0.52 -0.15 1.25 0.00 0.00 0.00 179.25 180.87 3k59 h LEU 328 N 0.59 0.53 -0.94 0.00 5.85 -0.95 -1.92 115.31 118.47 3k59 h LEU 328 Ca 0.12 -0.43 0.02 0.00 0.84 0.00 0.00 57.88 58.42 3k59 h LEU 328 Cb 0.44 -0.15 -0.05 0.00 0.37 0.00 0.00 40.66 41.27 3k59 h LEU 328 CO 0.02 0.85 0.62 0.00 -0.34 0.00 0.00 178.44 179.58 3k59 h ALA 329 N 0.70 1.21 -0.67 1.25 0.00 -0.61 0.17 119.26 121.31 3k59 h ALA 329 Ca 0.05 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 3k59 h ALA 329 Cb 0.66 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 3k59 h ALA 329 CO 0.04 0.55 0.32 1.15 0.00 0.00 0.00 179.25 181.31 3k59 h THR 330 N 1.24 1.23 -0.45 0.00 2.02 -0.92 0.14 112.91 116.17 3k59 h THR 330 Ca 0.36 -0.63 -0.06 0.00 0.77 0.00 0.00 66.41 66.85 3k59 h THR 330 Cb -0.09 0.40 -0.02 0.00 -1.74 0.00 0.00 68.15 66.71 3k59 h THR 330 CO -0.09 0.26 0.06 0.22 0.37 0.00 0.00 175.52 176.34 3k59 h TYR 331 N 0.93 0.81 0.17 3.16 3.20 -0.48 -1.52 116.97 123.24 3k59 h TYR 331 Ca 0.23 -0.12 -0.01 0.00 3.14 0.00 0.00 58.73 61.98 3k59 h TYR 331 Cb 0.12 -0.22 0.00 0.00 1.54 0.00 0.00 36.73 38.17 3k59 h TYR 331 CO 0.00 0.76 -0.08 -0.97 -1.64 0.00 0.00 178.16 176.24 3k59 h ASN 332 N 0.61 -0.19 -0.13 -2.11 -1.24 -0.27 -2.45 115.58 109.80 3k59 h ASN 332 Ca 0.14 -0.03 -0.06 0.00 0.71 0.00 0.00 56.30 57.06 3k59 h ASN 332 Cb 0.40 0.05 -0.02 0.00 0.73 0.00 0.00 38.32 39.48 3k59 h ASN 332 CO 0.01 -0.10 -0.09 0.25 -1.29 0.00 0.00 177.43 176.21 3k59 h LEU 333 N -0.27 0.43 -0.81 0.34 5.85 -0.71 -2.46 115.31 117.69 3k59 h LEU 333 Ca -0.02 -0.10 -0.02 0.00 0.84 0.00 0.00 57.88 58.58 3k59 h LEU 333 Cb 0.21 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.08 3k59 h LEU 333 CO 0.04 0.57 0.43 0.50 -0.34 0.00 0.00 178.44 179.64 3k59 h LYS 334 N 0.43 1.13 -0.85 1.25 3.64 -1.08 -0.48 116.57 120.61 3k59 h LYS 334 Ca 0.08 -0.14 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 3k59 h LYS 334 Cb 0.43 -0.22 -0.04 0.00 -0.41 0.00 0.00 32.23 31.99 3k59 h LYS 334 CO 0.02 0.84 0.54 -0.91 -2.27 0.00 0.00 179.45 177.68 3k59 h ASN 335 N 1.12 1.00 -0.30 4.20 2.35 -0.98 0.12 115.58 123.09 3k59 h ASN 335 Ca 0.28 -0.04 -0.01 0.00 -0.55 0.00 0.00 56.30 55.98 3k59 h ASN 335 Cb 0.05 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.15 3k59 h ASN 335 CO -0.04 0.75 0.16 0.00 -1.65 0.00 0.00 177.43 176.64 3k59 h GLU 337 N 0.36 0.73 -0.69 0.00 5.08 -0.42 -2.12 114.58 117.52 3k59 h GLU 337 Ca 0.10 -0.14 -0.06 0.00 -1.00 0.00 0.00 59.36 58.27 3k59 h GLU 337 Cb 0.07 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.17 3k59 h GLU 337 CO -0.02 0.66 0.19 -0.07 -1.00 0.00 0.00 179.01 178.77 3k59 h LEU 338 N 0.71 1.01 -0.25 1.33 3.38 -0.58 -0.61 115.31 120.29 3k59 h LEU 338 Ca 0.16 -0.20 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 3k59 h LEU 338 Cb 0.27 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 3k59 h LEU 338 CO -0.00 0.96 0.05 0.58 0.09 0.00 0.00 178.44 180.11 3k59 h VAL 339 N 1.03 1.22 -0.62 1.22 2.07 -1.12 -0.70 116.25 119.35 3k59 h VAL 339 Ca 0.22 -0.74 0.05 0.00 0.82 0.00 0.00 66.70 67.05 3k59 h VAL 339 Cb 0.33 1.23 -0.05 0.00 -1.52 0.00 0.00 31.29 31.28 3k59 h VAL 339 CO -0.00 0.24 0.35 0.74 0.02 0.00 0.00 177.57 178.91 3k59 h THR 340 N 0.22 1.00 -0.68 2.57 2.02 -1.09 -0.67 112.91 116.28 3k59 h THR 340 Ca 0.08 -0.23 -0.06 0.00 0.77 0.00 0.00 66.41 66.97 3k59 h THR 340 Cb 0.31 0.28 -0.03 0.00 -1.74 0.00 0.00 68.15 66.96 3k59 h THR 340 CO 0.00 0.12 0.19 1.56 0.37 0.00 0.00 175.52 177.76 3k59 h GLN 341 N 0.66 1.05 -0.61 6.66 1.08 -0.90 -1.51 115.11 121.54 3k59 h GLN 341 Ca 0.27 -0.23 -0.06 0.00 -1.45 0.00 0.00 58.65 57.17 3k59 h GLN 341 Cb 0.13 -0.15 -0.02 0.00 -0.05 0.00 0.00 27.48 27.38 3k59 h GLN 341 CO -0.15 0.92 0.13 0.82 -0.95 0.00 0.00 178.83 179.59 3k59 h ILE 342 N 1.01 1.26 -0.72 2.54 2.04 -0.56 0.45 117.51 123.52 3k59 h ILE 342 Ca 0.22 -0.95 -0.01 0.00 1.00 0.00 0.00 64.86 65.11 3k59 h ILE 342 Cb 0.32 0.70 -0.03 0.00 -0.74 0.00 0.00 36.82 37.07 3k59 h ILE 342 CO -0.00 0.35 0.40 -0.26 0.00 0.00 0.00 178.15 178.64 3k59 h PHE 343 N 0.90 0.98 -0.08 1.37 0.05 -0.73 -2.07 116.94 117.36 3k59 h PHE 343 Ca 0.19 -0.02 -0.03 0.00 3.82 0.00 0.00 57.97 61.93 3k59 h PHE 343 Cb 0.39 -0.32 -0.00 0.00 2.00 0.00 0.00 35.95 38.02 3k59 h PHE 343 CO 0.03 0.69 -0.05 0.45 -0.18 0.00 0.00 178.31 179.24 3k59 h HIS 344 N 0.99 0.21 -0.74 -0.55 3.86 -0.97 -2.02 115.15 115.92 3k59 h HIS 344 Ca 0.25 -0.06 0.01 0.00 -1.16 0.00 0.00 60.37 59.41 3k59 h HIS 344 Cb 0.02 -0.05 -0.04 0.00 1.06 0.00 0.00 27.41 28.41 3k59 h HIS 344 CO -0.00 0.58 0.48 -0.22 0.86 0.00 0.00 177.93 179.62 3k59 h LYS 345 N -0.22 0.98 0.00 2.45 3.64 -0.80 -1.13 116.57 121.49 3k59 h LYS 345 Ca 0.02 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 3k59 h LYS 345 Cb 0.53 -0.22 0.00 0.00 -0.41 0.00 0.00 32.23 32.13 3k59 h LYS 345 CO 0.01 0.66 -0.13 0.25 -2.27 0.00 0.00 179.45 177.97 3k59 n THR 346 N -4.42 0.07 -3.60 1.00 -2.24 -0.79 -4.92 114.28 99.39 3k59 n THR 346 Ca 0.08 -0.04 -0.27 0.00 -2.27 0.00 0.00 64.05 61.56 3k59 n THR 346 Cb 0.04 -0.33 0.02 0.00 -2.10 0.00 0.00 70.33 67.96 3k59 n THR 346 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3k59 n GLU 347 N -1.59 -4.98 0.03 -0.78 -0.58 -0.43 -4.87 120.64 107.44 3k59 n GLU 347 Ca 0.06 0.63 -0.00 0.00 -0.42 0.00 0.00 57.16 57.43 3k59 n GLU 347 Cb 0.35 -5.48 0.29 0.00 -0.57 0.00 0.00 31.44 26.03 3k59 n GLU 347 CO 0.00 0.00 0.00 0.97 -0.48 0.00 0.00 177.13 177.62 3k59 h ILE 348 N -1.70 1.21 -0.40 -3.67 6.09 -1.77 -2.91 117.51 114.36 3k59 h ILE 348 Ca -0.53 -0.89 -0.08 0.00 -1.37 0.00 0.00 64.86 61.99 3k59 h ILE 348 Cb 1.35 1.09 -0.01 0.00 0.47 0.00 0.00 36.82 39.72 3k59 h ILE 348 CO 0.61 0.29 -0.05 0.24 -3.07 0.00 0.00 178.15 176.18 3k59 h MET 349 N 0.43 0.74 -0.89 2.19 2.86 -1.90 -0.37 114.93 118.00 3k59 h MET 349 Ca 0.09 -0.26 -0.01 0.00 -2.06 0.00 0.00 59.70 57.45 3k59 h MET 349 Cb 0.41 -0.05 -0.04 0.00 0.06 0.00 0.00 31.60 31.98 3k59 h MET 349 CO 0.02 0.85 0.52 -1.35 1.06 0.00 0.00 176.91 178.01 3k59 h PRO 350 N 0.56 1.22 -0.10 -0.22 0.11 -1.94 -0.54 132.00 131.09 3k59 h PRO 350 Ca 0.11 -0.12 0.00 0.00 0.11 0.00 0.00 66.00 66.10 3k59 h PRO 350 Cb 0.55 -0.25 -0.00 0.00 0.11 0.00 0.00 31.00 31.41 3k59 h PRO 350 CO 0.03 0.86 0.06 0.35 -0.21 0.00 0.00 178.00 179.10 3k59 h PHE 351 N 1.23 0.13 -0.60 0.65 3.57 -1.28 -0.40 116.94 120.23 3k59 h PHE 351 Ca 0.32 0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.76 3k59 h PHE 351 Cb -0.02 -0.04 -0.03 0.00 2.79 0.00 0.00 35.95 38.65 3k59 h PHE 351 CO 0.01 0.09 0.15 -0.07 -2.23 0.00 0.00 178.31 176.25 3k59 h LEU 352 N 0.13 0.87 -0.54 0.59 3.38 -0.59 0.86 115.31 120.01 3k59 h LEU 352 Ca 0.04 -0.16 -0.09 0.00 0.09 0.00 0.00 57.88 57.76 3k59 h LEU 352 Cb -0.01 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.50 3k59 h LEU 352 CO -0.01 0.84 -0.01 -0.07 0.09 0.00 0.00 178.44 179.29 3k59 h LEU 353 N 0.89 0.94 -0.26 1.67 3.38 -0.88 -0.69 115.31 120.36 3k59 h LEU 353 Ca 0.19 -0.31 -0.04 0.00 0.09 0.00 0.00 57.88 57.82 3k59 h LEU 353 Cb 0.31 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 3k59 h LEU 353 CO -0.00 1.02 0.02 -0.33 0.09 0.00 0.00 178.44 179.24 3k59 h GLU 354 N 0.83 0.45 -0.53 1.13 4.39 -0.68 -1.60 114.58 118.57 3k59 h GLU 354 Ca 0.15 -0.13 0.00 0.00 0.34 0.00 0.00 59.36 59.73 3k59 h GLU 354 Cb 0.54 -0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 29.12 3k59 h GLU 354 CO 0.03 0.59 0.35 -0.09 -1.16 0.00 0.00 179.01 178.73 3k59 h ARG 355 N 0.24 0.70 -0.66 2.33 2.43 -0.71 -2.03 114.38 116.68 3k59 h ARG 355 Ca 0.08 -0.04 -0.05 0.00 -0.81 0.00 0.00 59.98 59.16 3k59 h ARG 355 Cb 0.37 -0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 29.74 3k59 h ARG 355 CO 0.01 0.47 0.22 0.00 -1.51 0.00 0.00 179.97 179.16 3k59 h ALA 356 N 1.19 1.16 -0.36 2.80 0.00 -1.06 -0.09 119.26 122.90 3k59 h ALA 356 Ca 0.19 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 3k59 h ALA 356 Cb -0.08 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.44 3k59 h ALA 356 CO -0.04 0.59 0.16 1.15 0.00 0.00 0.00 179.25 181.11 3k59 h THR 357 N 0.96 1.13 0.04 0.00 2.02 -0.77 -1.25 112.91 115.05 3k59 h THR 357 Ca 0.22 -0.40 -0.07 0.00 0.77 0.00 0.00 66.41 66.93 3k59 h THR 357 Cb 0.24 0.70 0.01 0.00 -1.74 0.00 0.00 68.15 67.36 3k59 h THR 357 CO -0.01 0.16 -0.28 0.58 0.37 0.00 0.00 175.52 176.33 3k59 h VAL 358 N 0.50 1.67 -0.00 3.16 2.07 -0.67 -3.39 116.25 119.58 3k59 h VAL 358 Ca 0.13 -2.33 0.00 0.00 0.82 0.00 0.00 66.70 65.32 3k59 h VAL 358 Cb 0.08 3.23 0.00 0.00 -1.52 0.00 0.00 31.29 33.08 3k59 h VAL 358 CO -0.02 0.63 -0.36 -0.46 0.02 0.00 0.00 177.57 177.38 3k59 n ASN 359 N -4.45 0.63 0.00 0.57 0.23 -0.12 -4.97 115.26 107.16 3k59 n ASN 359 Ca -0.11 -0.44 0.00 0.00 -0.53 0.00 0.00 54.58 53.50 3k59 n ASN 359 Cb 0.58 0.14 0.00 0.00 -2.08 0.00 0.00 39.78 38.42 3k59 n ASN 359 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3k59 n GLY 360 N 1.43 1.24 3.94 4.83 0.00 -0.48 -4.53 105.19 111.62 3k59 n GLY 360 Ca 0.08 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.86 3k59 n GLY 360 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3k59 s LEU 361 N 0.00 3.53 0.70 0.99 1.43 -1.26 -4.90 118.68 119.17 3k59 s LEU 361 Ca 0.00 0.44 -0.16 0.00 -1.03 0.00 0.00 54.13 53.38 3k59 s LEU 361 Cb 0.00 -3.31 0.02 0.00 0.03 0.00 0.00 46.19 42.94 3k59 s LEU 361 CO 0.00 -0.79 1.23 -2.84 0.23 0.00 0.00 176.35 174.18 3k59 s PRO 362 N -4.69 2.26 0.33 1.29 0.02 -1.26 -4.70 135.00 128.25 3k59 s PRO 362 Ca 0.50 1.85 0.05 0.00 0.02 0.00 0.00 61.00 63.41 3k59 s PRO 362 Cb -0.10 -1.84 0.67 0.00 0.02 0.00 0.00 34.50 33.25 3k59 s PRO 362 CO 0.40 -1.76 1.89 0.28 -0.33 0.00 0.00 177.00 177.48 3k59 h VAL 363 N -0.04 0.95 -0.35 3.83 2.07 -1.88 -1.71 116.25 119.12 3k59 h VAL 363 Ca -0.49 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 66.74 3k59 h VAL 363 Cb 1.31 0.02 0.00 0.00 -1.52 0.00 0.00 31.29 31.10 3k59 h VAL 363 CO 0.51 0.16 0.00 -0.90 0.02 0.00 0.00 177.57 177.35 3k59 n ASP 364 N -4.53 2.57 -4.52 0.57 5.68 -1.26 -4.82 116.55 110.24 3k59 n ASP 364 Ca 0.15 -2.18 -0.37 0.00 -0.50 0.00 0.00 54.79 51.89 3k59 n ASP 364 Cb 0.33 -0.39 -0.12 0.00 -1.14 0.00 0.00 41.12 39.80 3k59 n ASP 364 CO 0.00 0.00 0.00 -0.60 -1.33 0.00 0.00 177.20 175.27 3k59 s ARG 365 N -1.65 3.80 0.31 0.11 3.52 -0.65 -5.01 118.95 119.38 3k59 s ARG 365 Ca 0.26 -0.40 0.05 0.00 -0.13 0.00 0.00 55.73 55.51 3k59 s ARG 365 Cb 0.16 -3.47 -0.02 0.00 -1.56 0.00 0.00 34.95 30.06 3k59 s ARG 365 CO 0.14 -0.17 0.45 -1.01 -0.81 0.00 0.00 175.30 173.90 3k59 s HIS 366 N 1.65 3.26 0.00 5.12 3.76 -1.26 -4.80 115.29 123.02 3k59 s HIS 366 Ca 0.07 -0.08 0.00 0.00 -0.15 0.00 0.00 55.06 54.90 3k59 s HIS 366 Cb -0.15 -1.87 0.00 0.00 1.11 0.00 0.00 32.58 31.67 3k59 s HIS 366 CO 0.07 0.12 0.00 0.41 -0.85 0.00 0.00 174.74 174.49 3k59 n GLY 367 N -1.61 2.65 2.46 -2.22 0.00 -1.26 -4.92 105.19 100.30 3k59 n GLY 367 Ca -0.03 -0.31 -0.14 0.00 0.00 0.00 0.00 46.02 45.54 3k59 n GLY 367 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k59 n GLY 368 N 0.00 -0.10 0.37 -0.02 0.00 -1.26 -4.94 105.19 99.24 3k59 n GLY 368 Ca 0.00 -0.24 0.02 0.00 0.00 0.00 0.00 46.02 45.79 3k59 n GLY 368 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3k59 h SER 369 N -0.64 0.99 -0.17 1.61 0.02 -1.97 0.11 113.55 113.49 3k59 h SER 369 Ca -0.33 -0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 60.58 3k59 h SER 369 Cb 1.23 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 63.54 3k59 h SER 369 CO 0.36 0.67 -0.02 0.58 -1.14 0.00 0.00 176.83 177.28 3k59 h VAL 370 N 1.14 1.27 -0.68 2.27 2.07 -1.93 -1.16 116.25 119.23 3k59 h VAL 370 Ca 0.37 -0.94 -0.06 0.00 0.82 0.00 0.00 66.70 66.89 3k59 h VAL 370 Cb 0.04 1.55 -0.03 0.00 -1.52 0.00 0.00 31.29 31.33 3k59 h VAL 370 CO -0.12 0.28 0.19 0.00 0.02 0.00 0.00 177.57 177.95 3k59 h ALA 371 N 0.74 1.06 -0.41 1.67 0.00 -1.87 -2.21 119.26 118.24 3k59 h ALA 371 Ca 0.05 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 3k59 h ALA 371 Cb 0.44 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 3k59 h ALA 371 CO 0.01 0.63 0.12 0.00 0.00 0.00 0.00 179.25 180.02 3k59 h ALA 372 N 1.20 0.54 -0.41 0.00 0.00 -0.67 -0.69 119.26 119.23 3k59 h ALA 372 Ca 0.22 -0.17 0.05 0.00 0.00 0.00 0.00 54.91 55.00 3k59 h ALA 372 Cb 0.31 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 3k59 h ALA 372 CO -0.00 0.19 0.15 0.35 0.00 0.00 0.00 179.25 179.94 3k59 h PHE 373 N 0.52 0.27 -0.40 0.00 3.57 -1.02 -2.19 116.94 117.69 3k59 h PHE 373 Ca 0.13 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.66 3k59 h PHE 373 Cb 0.27 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 38.93 3k59 h PHE 373 CO 0.01 0.11 0.26 0.78 -2.23 0.00 0.00 178.31 177.24 3k59 h GLY 374 N 0.32 0.56 0.84 2.40 0.00 -1.03 0.23 103.07 106.39 3k59 h GLY 374 Ca 0.19 -0.20 0.03 0.00 0.00 0.00 0.00 47.33 47.35 3k59 h GLY 374 CO -0.19 0.19 0.36 0.84 0.00 0.00 0.00 176.54 177.75 3k59 h HIS 375 N 0.53 0.68 0.08 5.60 -0.00 -0.75 -0.74 115.15 120.55 3k59 h HIS 375 Ca 0.15 0.02 -0.26 0.00 -0.00 0.00 0.00 60.37 60.28 3k59 h HIS 375 Cb -0.05 -0.22 0.01 0.00 -0.00 0.00 0.00 27.41 27.16 3k59 h HIS 375 CO -0.05 0.38 -1.13 -0.07 -0.00 0.00 0.00 177.93 177.05 3k59 h LEU 376 N 0.71 0.58 -0.08 0.26 3.38 -1.23 -3.37 115.31 115.56 3k59 h LEU 376 Ca 0.25 -0.54 -0.15 0.00 0.09 0.00 0.00 57.88 57.53 3k59 h LEU 376 Cb 0.05 -0.18 0.01 0.00 0.09 0.00 0.00 40.66 40.63 3k59 h LEU 376 CO -0.12 1.37 -0.55 0.22 0.09 0.00 0.00 178.44 179.46 3k59 h TYR 377 N 0.18 0.71 -0.54 1.13 3.20 -0.32 -3.39 116.97 117.95 3k59 h TYR 377 Ca -0.13 -0.33 0.10 0.00 3.14 0.00 0.00 58.73 61.51 3k59 h TYR 377 Cb 1.81 -0.10 -0.11 0.00 1.54 0.00 0.00 36.73 39.87 3k59 h TYR 377 CO 0.08 1.12 -0.32 0.74 -1.64 0.00 0.00 178.16 178.13 3k59 h PHE 378 N 0.10 -0.89 -0.90 -3.82 -1.00 -1.30 0.50 116.94 109.62 3k59 h PHE 378 Ca -0.05 0.07 0.03 0.00 2.81 0.00 0.00 57.97 60.83 3k59 h PHE 378 Cb 1.21 0.47 -0.05 0.00 3.61 0.00 0.00 35.95 41.19 3k59 h PHE 378 CO 0.12 -0.38 0.59 -1.00 -1.61 0.00 0.00 178.31 176.03 3k59 h PRO 379 N -0.18 1.10 -0.30 1.51 0.13 -1.77 0.99 132.00 133.48 3k59 h PRO 379 Ca 0.22 -0.07 -0.17 0.00 -0.87 0.00 0.00 66.00 65.11 3k59 h PRO 379 Cb 0.54 -0.25 -0.00 0.00 0.13 0.00 0.00 31.00 31.42 3k59 h PRO 379 CO -0.64 0.73 -0.50 0.00 -0.23 0.00 0.00 178.00 177.37 3k59 h ARG 380 N 1.14 0.86 -0.47 0.86 3.08 -1.60 -1.34 114.38 116.91 3k59 h ARG 380 Ca 0.35 -0.53 -0.02 0.00 0.07 0.00 0.00 59.98 59.86 3k59 h ARG 380 Cb 0.00 0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.09 3k59 h ARG 380 CO -0.10 1.16 0.23 1.98 -1.07 0.00 0.00 179.97 182.17 3k59 h MET 381 N 0.64 0.67 -0.57 0.04 4.05 -0.31 -0.79 114.93 118.65 3k59 h MET 381 Ca 0.02 -0.09 -0.05 0.00 -0.28 0.00 0.00 59.70 59.30 3k59 h MET 381 Cb 1.10 -0.12 -0.02 0.00 -0.80 0.00 0.00 31.60 31.76 3k59 h MET 381 CO 0.11 0.56 0.17 0.45 0.23 0.00 0.00 176.91 178.43 3k59 h HIS 382 N 0.61 0.93 -0.21 1.39 3.86 -0.76 -1.69 115.15 119.29 3k59 h HIS 382 Ca 0.16 -0.10 -0.00 0.00 -1.16 0.00 0.00 60.37 59.27 3k59 h HIS 382 Cb 0.10 -0.27 -0.01 0.00 1.06 0.00 0.00 27.41 28.29 3k59 h HIS 382 CO -0.01 0.78 0.11 0.00 0.86 0.00 0.00 177.93 179.67 3k59 h ARG 383 N 0.81 0.28 0.00 2.45 2.47 -0.90 -0.24 114.38 119.24 3k59 h ARG 383 Ca 0.18 -0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.88 3k59 h ARG 383 Cb 0.30 -0.06 0.00 0.00 -1.65 0.00 0.00 29.97 28.56 3k59 h ARG 383 CO -0.00 0.21 0.00 0.00 0.56 0.00 0.00 179.97 180.74 3k59 n ALA 384 N -2.50 2.37 -0.13 0.04 0.00 -0.33 -4.90 120.51 115.05 3k59 n ALA 384 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.31 3k59 n ALA 384 Cb 0.10 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.11 3k59 n ALA 384 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3k59 n GLY 385 N 0.97 0.93 3.28 0.00 0.00 -0.10 -5.06 105.19 105.21 3k59 n GLY 385 Ca 0.14 -0.05 -0.18 0.00 0.00 0.00 0.00 46.02 45.93 3k59 n GLY 385 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3k59 s TYR 386 N -2.00 1.51 0.13 1.61 2.02 -0.76 -0.94 117.35 118.91 3k59 s TYR 386 Ca 0.00 -0.57 0.08 0.00 -0.37 0.00 0.00 57.07 56.21 3k59 s TYR 386 Cb 0.00 -0.76 -0.04 0.00 -0.40 0.00 0.00 41.96 40.76 3k59 s TYR 386 CO 0.00 0.21 -0.12 0.14 -1.57 0.00 0.00 175.55 174.21 3k59 s VAL 387 N -2.45 3.21 0.34 0.71 -7.23 -0.40 -3.33 120.40 111.26 3k59 s VAL 387 Ca 0.14 -1.42 -0.28 0.00 -1.81 0.00 0.00 61.98 58.60 3k59 s VAL 387 Cb -0.03 -2.52 -0.10 0.00 0.56 0.00 0.00 36.38 34.29 3k59 s VAL 387 CO 0.04 0.05 1.28 0.00 -0.31 0.00 0.00 175.10 176.16 3k59 s ALA 388 N -1.33 3.43 0.87 1.32 0.00 -1.26 -4.20 121.76 120.59 3k59 s ALA 388 Ca 0.22 1.20 -0.12 0.00 0.00 0.00 0.00 51.96 53.26 3k59 s ALA 388 Cb -0.10 -3.46 0.11 0.00 0.00 0.00 0.00 23.12 19.67 3k59 s ALA 388 CO 0.13 -0.62 1.11 -1.25 0.00 0.00 0.00 175.76 175.14 3k59 s PRO 389 N -1.87 1.51 0.46 0.00 0.04 -1.26 -4.43 135.00 129.45 3k59 s PRO 389 Ca 0.50 0.51 0.07 0.00 0.04 0.00 0.00 61.00 62.12 3k59 s PRO 389 Cb -0.38 -1.86 0.02 0.00 0.04 0.00 0.00 34.50 32.32 3k59 s PRO 389 CO 0.50 -1.99 0.63 -0.80 0.04 0.00 0.00 177.00 175.39 3k59 s ASN 390 N -3.87 5.52 0.66 6.66 0.01 -1.26 -4.80 114.94 117.85 3k59 s ASN 390 Ca 0.63 -0.38 -0.16 0.00 -0.71 0.00 0.00 52.86 52.24 3k59 s ASN 390 Cb -0.15 -0.61 -0.00 0.00 0.41 0.00 0.00 41.25 40.90 3k59 s ASN 390 CO 0.54 -0.90 1.13 -0.76 -1.51 0.00 0.00 177.10 175.60 3k59 s LEU 391 N -4.46 3.42 0.00 0.60 1.43 -1.26 -3.61 118.68 114.79 3k59 s LEU 391 Ca 0.56 2.07 0.00 0.00 -1.03 0.00 0.00 54.13 55.73 3k59 s LEU 391 Cb -0.10 -4.56 0.00 0.00 0.03 0.00 0.00 46.19 41.56 3k59 s LEU 391 CO 0.35 -1.67 0.00 0.61 0.23 0.00 0.00 176.35 175.86 3k59 n GLY 392 N -0.31 0.55 0.11 -3.19 0.00 -1.26 -4.93 105.19 96.16 3k59 n GLY 392 Ca 0.11 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.25 3k59 n GLY 392 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3k59 h GLU 393 N 1.24 0.00 -4.86 1.61 5.08 -1.91 -3.44 114.58 112.30 3k59 h GLU 393 Ca 0.00 0.00 -0.60 0.00 -1.00 0.00 0.00 59.36 57.76 3k59 h GLU 393 Cb 0.00 0.00 -0.34 0.00 0.50 0.00 0.00 28.75 28.91 3k59 h GLU 393 CO 0.00 0.00 -0.84 0.08 -1.00 0.00 0.00 179.01 177.25 3k59 s VAL 394 N -3.19 1.61 0.29 3.13 1.01 -1.26 -5.11 120.40 116.88 3k59 s VAL 394 Ca 0.06 -0.72 -0.30 0.00 0.00 0.00 0.00 61.98 61.02 3k59 s VAL 394 Cb 0.11 -1.45 -0.12 0.00 0.00 0.00 0.00 36.38 34.93 3k59 s VAL 394 CO 0.70 0.46 1.61 -2.65 0.00 0.00 0.00 175.10 175.22 3k59 n PRO 395 N 4.07 2.73 -1.95 2.72 -0.02 -1.26 -4.92 135.00 136.37 3k59 n PRO 395 Ca -0.20 0.97 -0.40 0.00 -2.02 0.00 0.00 63.50 61.85 3k59 n PRO 395 Cb 0.51 -2.76 -0.00 0.00 -0.02 0.00 0.00 33.50 31.23 3k59 n PRO 395 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3k59 s PRO 396 N -0.44 4.01 -0.25 0.52 0.04 -1.26 -4.88 135.00 132.74 3k59 s PRO 396 Ca 0.64 2.33 -0.17 0.00 0.04 0.00 0.00 61.00 63.84 3k59 s PRO 396 Cb -0.49 -2.84 0.07 0.00 0.04 0.00 0.00 34.50 31.28 3k59 s PRO 396 CO 0.48 -0.52 0.63 -1.58 0.04 0.00 0.00 177.00 176.04 3k59 s HIS 397 N -1.19 -0.85 0.58 0.56 2.46 -1.26 -5.13 115.29 110.46 3k59 s HIS 397 Ca 0.55 1.83 -0.16 0.00 0.47 0.00 0.00 55.06 57.76 3k59 s HIS 397 Cb -0.42 0.42 -0.04 0.00 -0.13 0.00 0.00 32.58 32.41 3k59 s HIS 397 CO 0.55 -0.42 1.05 0.00 -2.47 0.00 0.00 174.74 173.44 3k59 s ALA 398 N 1.07 2.78 -0.00 1.58 0.00 -1.26 -4.75 121.76 121.19 3k59 s ALA 398 Ca -0.06 0.38 0.07 0.00 0.00 0.00 0.00 51.96 52.36 3k59 s ALA 398 Cb -0.05 -3.22 -0.02 0.00 0.00 0.00 0.00 23.12 19.83 3k59 s ALA 398 CO -0.10 -0.73 -0.22 -1.12 0.00 0.00 0.00 175.76 173.59 3k59 s SER 399 N -2.77 2.63 0.81 0.00 0.01 -1.26 -5.04 113.70 108.08 3k59 s SER 399 Ca 0.63 -0.44 -0.11 0.00 1.31 0.00 0.00 55.95 57.34 3k59 s SER 399 Cb -0.15 -0.28 0.08 0.00 0.21 0.00 0.00 66.02 65.88 3k59 s SER 399 CO 0.35 0.25 1.12 -2.16 0.41 0.00 0.00 173.24 173.22 3k59 s PRO 400 N -0.69 1.87 0.00 12.44 0.04 -1.26 -5.02 135.00 142.37 3k59 s PRO 400 Ca 0.09 1.38 0.00 0.00 0.04 0.00 0.00 61.00 62.51 3k59 s PRO 400 Cb -0.09 -1.84 0.00 0.00 0.04 0.00 0.00 34.50 32.62 3k59 s PRO 400 CO -0.00 -1.96 0.00 0.41 0.04 0.00 0.00 177.00 175.48 3k59 n GLY 401 N -0.50 2.47 3.84 0.56 0.00 -1.26 -4.79 105.19 105.52 3k59 n GLY 401 Ca 0.11 -1.84 -0.31 0.00 0.00 0.00 0.00 46.02 43.98 3k59 n GLY 401 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3k59 s GLY 402 N 0.00 1.69 -0.26 -0.02 0.00 -1.26 -4.81 107.32 102.66 3k59 s GLY 402 Ca 0.00 0.02 -0.13 0.00 0.00 0.00 0.00 44.72 44.62 3k59 s GLY 402 CO 0.00 0.31 0.26 -0.47 0.00 0.00 0.00 173.10 173.21 3k59 s TYR 403 N -3.07 3.27 -0.26 1.90 5.04 -1.26 -4.87 117.35 118.09 3k59 s TYR 403 Ca 0.57 0.29 -0.05 0.00 -2.44 0.00 0.00 57.07 55.43 3k59 s TYR 403 Cb -0.13 -2.43 0.00 0.00 0.35 0.00 0.00 41.96 39.76 3k59 s TYR 403 CO 0.53 -0.12 0.02 0.08 -1.34 0.00 0.00 175.55 174.73 3k59 s VAL 404 N 1.65 3.63 0.46 3.14 1.01 -1.26 -0.74 120.40 128.29 3k59 s VAL 404 Ca 0.11 -0.65 -0.23 0.00 0.00 0.00 0.00 61.98 61.21 3k59 s VAL 404 Cb -0.15 -2.79 -0.07 0.00 0.00 0.00 0.00 36.38 33.36 3k59 s VAL 404 CO 0.09 0.22 1.23 -0.04 0.00 0.00 0.00 175.10 176.60 3k59 s MET 405 N 1.47 3.70 0.35 2.72 1.00 -0.35 -4.99 119.30 123.21 3k59 s MET 405 Ca 0.03 1.94 -0.28 0.00 0.00 0.00 0.00 55.69 57.39 3k59 s MET 405 Cb -0.16 -2.47 -0.09 0.00 0.00 0.00 0.00 34.83 32.11 3k59 s MET 405 CO -0.00 -0.64 1.25 -0.51 0.00 0.00 0.00 175.02 175.11 3k59 s ASP 406 N -1.15 6.69 0.22 3.03 1.01 -1.26 -4.56 116.67 120.66 3k59 s ASP 406 Ca 0.63 2.55 0.05 0.00 0.71 0.00 0.00 52.55 56.50 3k59 s ASP 406 Cb -0.33 -2.64 -0.03 0.00 1.01 0.00 0.00 42.92 40.93 3k59 s ASP 406 CO 0.40 -0.57 0.28 -0.94 0.21 0.00 0.00 175.17 174.55 3k59 s SER 407 N -0.72 6.03 -0.47 0.27 1.04 -1.26 -4.62 113.70 113.97 3k59 s SER 407 Ca 0.52 -0.02 -0.14 0.00 0.48 0.00 0.00 55.95 56.79 3k59 s SER 407 Cb -0.36 -1.71 0.09 0.00 0.10 0.00 0.00 66.02 64.14 3k59 s SER 407 CO 0.48 -0.03 0.39 -0.60 0.98 0.00 0.00 173.24 174.45 3k59 s ARG 408 N -3.74 2.87 0.64 4.02 3.52 -0.34 -4.03 118.95 121.90 3k59 s ARG 408 Ca 0.33 -1.47 -0.17 0.00 -0.13 0.00 0.00 55.73 54.30 3k59 s ARG 408 Cb -0.09 -4.08 -0.01 0.00 -1.56 0.00 0.00 34.95 29.21 3k59 s ARG 408 CO 0.27 -1.08 1.20 -1.25 -0.81 0.00 0.00 175.30 173.63 3k59 s PRO 409 N 1.57 2.70 0.00 5.12 0.04 -1.26 -4.81 135.00 138.37 3k59 s PRO 409 Ca 0.04 1.76 0.00 0.00 0.04 0.00 0.00 61.00 62.84 3k59 s PRO 409 Cb -0.25 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.39 3k59 s PRO 409 CO 0.05 -1.40 0.00 0.41 0.04 0.00 0.00 177.00 176.10 3k59 n GLY 410 N 0.36 1.23 3.23 0.56 0.00 0.30 -4.96 105.19 105.92 3k59 n GLY 410 Ca 0.13 -1.36 -0.35 0.00 0.00 0.00 0.00 46.02 44.45 3k59 n GLY 410 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3k59 s LEU 411 N 0.00 3.16 0.37 0.99 2.96 -1.26 -0.90 118.68 124.00 3k59 s LEU 411 Ca 0.00 -0.76 0.08 0.00 -0.22 0.00 0.00 54.13 53.23 3k59 s LEU 411 Cb 0.00 -1.69 -0.06 0.00 0.50 0.00 0.00 46.19 44.94 3k59 s LEU 411 CO 0.00 -0.11 0.07 -0.31 -1.32 0.00 0.00 176.35 174.68 3k59 s TYR 412 N 1.37 2.57 0.00 5.38 2.02 0.77 -4.98 117.35 124.48 3k59 s TYR 412 Ca 0.02 -0.51 0.00 0.00 -0.37 0.00 0.00 57.07 56.20 3k59 s TYR 412 Cb -0.16 -1.69 0.00 0.00 -0.40 0.00 0.00 41.96 39.71 3k59 s TYR 412 CO -0.04 0.37 0.00 -0.25 -1.57 0.00 0.00 175.55 174.06 3k59 n ASP 413 N -1.06 0.00 -4.68 2.29 8.00 -1.26 -1.52 116.55 118.32 3k59 n ASP 413 Ca -0.03 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.04 3k59 n ASP 413 Cb 0.64 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.71 3k59 n ASP 413 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 3k59 s SER 414 N -1.00 6.89 -0.04 -2.24 0.01 -1.17 -2.89 113.70 113.27 3k59 s SER 414 Ca 0.00 1.97 0.01 0.00 1.31 0.00 0.00 55.95 59.23 3k59 s SER 414 Cb 0.00 -2.55 0.03 0.00 0.21 0.00 0.00 66.02 63.70 3k59 s SER 414 CO 0.00 -0.73 -0.01 -0.69 0.41 0.00 0.00 173.24 172.22 3k59 s VAL 415 N 2.82 0.31 0.03 3.43 1.01 -0.34 -2.02 120.40 125.64 3k59 s VAL 415 Ca 0.61 0.02 -0.01 0.00 0.00 0.00 0.00 61.98 62.60 3k59 s VAL 415 Cb -0.28 -0.38 -0.04 0.00 0.00 0.00 0.00 36.38 35.68 3k59 s VAL 415 CO 0.23 0.18 0.18 -0.76 0.00 0.00 0.00 175.10 174.93 3k59 s LEU 416 N 1.03 4.30 -0.20 3.92 1.43 0.21 -0.37 118.68 129.01 3k59 s LEU 416 Ca -0.10 0.28 -0.01 0.00 -1.03 0.00 0.00 54.13 53.27 3k59 s LEU 416 Cb -0.14 -2.75 0.01 0.00 0.03 0.00 0.00 46.19 43.34 3k59 s LEU 416 CO -0.01 0.21 -0.13 -0.69 0.23 0.00 0.00 176.35 175.96 3k59 s VAL 417 N -1.41 2.67 -0.10 -1.59 1.01 -0.06 -0.38 120.40 120.54 3k59 s VAL 417 Ca 0.31 -0.73 -0.00 0.00 0.00 0.00 0.00 61.98 61.55 3k59 s VAL 417 Cb -0.13 -2.17 -0.03 0.00 0.00 0.00 0.00 36.38 34.06 3k59 s VAL 417 CO 0.23 0.49 -0.07 -0.76 0.00 0.00 0.00 175.10 174.99 3k59 s LEU 418 N 1.34 3.12 -0.05 3.92 1.43 -0.42 -1.17 118.68 126.84 3k59 s LEU 418 Ca 0.05 -0.10 -0.02 0.00 -1.03 0.00 0.00 54.13 53.03 3k59 s LEU 418 Cb -0.14 -1.70 0.03 0.00 0.03 0.00 0.00 46.19 44.41 3k59 s LEU 418 CO -0.08 0.28 0.10 -0.62 0.23 0.00 0.00 176.35 176.27 3k59 s ASP 419 N -0.33 -0.05 0.38 2.29 2.15 -0.12 -0.81 116.67 120.18 3k59 s ASP 419 Ca 0.05 0.20 -0.26 0.00 0.43 0.00 0.00 52.55 52.97 3k59 s ASP 419 Cb -0.12 0.11 -0.09 0.00 -0.30 0.00 0.00 42.92 42.51 3k59 s ASP 419 CO 0.02 -0.13 1.23 -0.31 -0.17 0.00 0.00 175.17 175.82 3k59 s TYR 420 N 1.02 3.01 -0.14 -5.34 2.02 -0.47 -0.98 117.35 116.46 3k59 s TYR 420 Ca -0.08 1.49 -0.29 0.00 -0.37 0.00 0.00 57.07 57.82 3k59 s TYR 420 Cb -0.11 -3.53 -0.01 0.00 -0.40 0.00 0.00 41.96 37.91 3k59 s TYR 420 CO -0.04 -1.63 1.12 0.21 -1.57 0.00 0.00 175.55 173.63 3k59 s LYS 421 N -2.14 4.32 -1.13 -0.62 2.20 -0.07 -4.03 119.74 118.27 3k59 s LYS 421 Ca 0.55 1.51 -0.28 0.00 -0.36 0.00 0.00 55.97 57.39 3k59 s LYS 421 Cb -0.35 -3.62 0.04 0.00 -1.51 0.00 0.00 37.83 32.39 3k59 s LYS 421 CO 0.45 -0.52 0.66 0.43 -0.36 0.00 0.00 175.35 176.01 3k59 n SER 422 N 5.76 -4.27 0.16 1.43 7.64 -1.26 -4.65 113.62 118.44 3k59 n SER 422 Ca 0.11 -1.24 -0.16 0.00 1.01 0.00 0.00 58.87 58.59 3k59 n SER 422 Cb 0.47 -1.61 -0.09 0.00 -1.01 0.00 0.00 64.21 61.97 3k59 n SER 422 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 3k59 h LEU 423 N -2.15 -1.35 -1.03 -3.43 5.85 -1.96 0.39 115.31 111.63 3k59 h LEU 423 Ca -0.70 0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.15 3k59 h LEU 423 Cb 1.41 0.49 -0.04 0.00 0.37 0.00 0.00 40.66 42.88 3k59 h LEU 423 CO 0.49 -0.55 0.53 1.88 -0.34 0.00 0.00 178.44 180.44 3k59 h TYR 424 N -0.77 1.16 -0.57 1.25 -1.99 -1.96 -0.22 116.97 113.87 3k59 h TYR 424 Ca -0.01 -0.00 -0.06 0.00 2.00 0.00 0.00 58.73 60.66 3k59 h TYR 424 Cb 0.75 -0.38 -0.03 0.00 2.00 0.00 0.00 36.73 39.07 3k59 h TYR 424 CO -0.35 0.77 0.12 -1.35 -0.00 0.00 0.00 178.16 177.35 3k59 h PRO 425 N 1.22 0.91 -0.08 4.88 0.11 -1.81 -1.14 132.00 136.08 3k59 h PRO 425 Ca 0.32 -0.21 -0.07 0.00 0.11 0.00 0.00 66.00 66.15 3k59 h PRO 425 Cb -0.05 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 30.93 3k59 h PRO 425 CO -0.06 0.83 -0.26 0.66 -0.21 0.00 0.00 178.00 178.95 3k59 h SER 426 N 0.86 0.14 -0.28 -2.05 4.64 0.06 -0.79 113.55 116.13 3k59 h SER 426 Ca 0.18 -0.04 -0.15 0.00 -0.47 0.00 0.00 61.79 61.31 3k59 h SER 426 Cb 0.35 -0.04 -0.00 0.00 -0.31 0.00 0.00 62.40 62.40 3k59 h SER 426 CO 0.00 0.41 -0.42 0.40 -0.87 0.00 0.00 176.83 176.36 3k59 h ILE 427 N 0.13 1.29 -0.71 0.95 2.04 -0.44 0.66 117.51 121.44 3k59 h ILE 427 Ca 0.02 -1.61 -0.01 0.00 1.00 0.00 0.00 64.86 64.26 3k59 h ILE 427 Cb 0.54 1.64 -0.03 0.00 -0.74 0.00 0.00 36.82 38.23 3k59 h ILE 427 CO 0.04 0.52 0.40 0.40 0.00 0.00 0.00 178.15 179.51 3k59 h ILE 428 N 0.54 1.21 -0.20 -0.67 2.04 -0.71 0.16 117.51 119.87 3k59 h ILE 428 Ca 0.03 -0.52 -0.04 0.00 1.00 0.00 0.00 64.86 65.33 3k59 h ILE 428 Cb 1.02 0.26 -0.01 0.00 -0.74 0.00 0.00 36.82 37.35 3k59 h ILE 428 CO 0.10 0.23 -0.03 0.03 0.00 0.00 0.00 178.15 178.48 3k59 h ARG 429 N 0.98 0.38 -0.05 2.37 3.08 -1.01 -1.53 114.38 118.60 3k59 h ARG 429 Ca 0.25 -0.14 -0.02 0.00 0.07 0.00 0.00 59.98 60.14 3k59 h ARG 429 Cb 0.02 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.04 3k59 h ARG 429 CO -0.04 0.61 -0.06 1.15 -1.07 0.00 0.00 179.97 180.56 3k59 h THR 430 N 0.11 1.40 -0.57 2.04 2.02 -0.70 -3.32 112.91 113.88 3k59 h THR 430 Ca 0.05 -1.28 0.00 0.00 0.77 0.00 0.00 66.41 65.95 3k59 h THR 430 Cb 0.46 2.15 0.00 0.00 -1.74 0.00 0.00 68.15 69.02 3k59 h THR 430 CO 0.02 0.35 0.00 0.49 0.37 0.00 0.00 175.52 176.75 3k59 n PHE 431 N -4.73 0.76 -3.52 3.16 3.72 0.53 -4.58 117.46 112.80 3k59 n PHE 431 Ca -0.08 -0.38 -0.26 0.00 -0.05 0.00 0.00 57.45 56.69 3k59 n PHE 431 Cb 0.31 0.00 0.03 0.00 -0.94 0.00 0.00 39.48 38.88 3k59 n PHE 431 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 3k59 n LEU 432 N 1.29 -2.59 -4.69 4.37 4.77 -0.59 -4.91 117.00 114.65 3k59 n LEU 432 Ca 0.20 -0.53 -0.42 0.00 -0.03 0.00 0.00 56.01 55.23 3k59 n LEU 432 Cb 0.52 -2.69 -0.03 0.00 -2.33 0.00 0.00 43.42 38.89 3k59 n LEU 432 CO 0.14 0.39 1.27 -0.63 -1.33 0.00 0.00 177.39 177.24 3k59 s ILE 433 N -3.21 3.11 -0.25 -0.08 -1.09 -1.14 -4.78 121.20 113.76 3k59 s ILE 433 Ca 0.51 0.60 -0.26 0.00 -2.23 0.00 0.00 60.65 59.28 3k59 s ILE 433 Cb -0.25 -3.39 0.11 0.00 -1.58 0.00 0.00 42.46 37.35 3k59 s ILE 433 CO 0.63 0.01 0.94 -0.62 -1.23 0.00 0.00 174.94 174.67 3k59 s ASP 434 N 2.10 -0.52 0.07 3.58 2.15 -1.26 -4.51 116.67 118.28 3k59 s ASP 434 Ca 0.71 0.94 -0.24 0.00 0.43 0.00 0.00 52.55 54.39 3k59 s ASP 434 Cb -0.39 0.93 -0.16 0.00 -0.30 0.00 0.00 42.92 43.00 3k59 s ASP 434 CO 0.31 -0.22 1.65 -0.65 -0.17 0.00 0.00 175.17 176.09 3k59 h PRO 435 N 4.12 -0.10 -0.60 4.34 0.11 -1.93 0.11 132.00 138.05 3k59 h PRO 435 Ca -0.27 0.01 -0.06 0.00 0.11 0.00 0.00 66.00 65.79 3k59 h PRO 435 Cb 1.17 0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.28 3k59 h PRO 435 CO 0.13 0.00 0.15 0.28 -0.21 0.00 0.00 178.00 178.35 3k59 h VAL 436 N -0.18 1.25 -0.54 3.15 2.07 -1.97 -2.54 116.25 117.48 3k59 h VAL 436 Ca -0.01 -0.91 0.01 0.00 0.82 0.00 0.00 66.70 66.62 3k59 h VAL 436 Cb 0.15 0.69 -0.03 0.00 -1.52 0.00 0.00 31.29 30.59 3k59 h VAL 436 CO 0.02 0.34 0.36 1.23 0.02 0.00 0.00 177.57 179.54 3k59 h GLY 437 N 0.87 0.75 1.05 2.17 0.00 -1.58 -0.97 103.07 105.36 3k59 h GLY 437 Ca 0.19 -0.27 -0.09 0.00 0.00 0.00 0.00 47.33 47.16 3k59 h GLY 437 CO 0.00 0.26 0.01 -2.00 0.00 0.00 0.00 176.54 174.81 3k59 h LEU 438 N 0.70 0.98 -0.18 3.11 5.85 -0.38 0.51 115.31 125.90 3k59 h LEU 438 Ca 0.21 -0.30 -0.01 0.00 0.84 0.00 0.00 57.88 58.61 3k59 h LEU 438 Cb -0.03 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 40.73 3k59 h LEU 438 CO -0.05 1.04 0.07 0.58 -0.34 0.00 0.00 178.44 179.74 3k59 h VAL 439 N 0.89 1.16 -0.11 1.05 2.07 -0.96 -1.46 116.25 118.89 3k59 h VAL 439 Ca 0.16 -0.50 -0.09 0.00 0.82 0.00 0.00 66.70 67.09 3k59 h VAL 439 Cb 0.53 1.16 -0.01 0.00 -1.52 0.00 0.00 31.29 31.45 3k59 h VAL 439 CO 0.03 0.16 -0.36 -0.33 0.02 0.00 0.00 177.57 177.09 3k59 h GLU 440 N 0.14 0.23 -0.22 1.57 4.39 -1.08 -3.01 114.58 116.61 3k59 h GLU 440 Ca 0.06 -0.10 -0.05 0.00 0.34 0.00 0.00 59.36 59.61 3k59 h GLU 440 Cb 0.18 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.82 3k59 h GLU 440 CO -0.00 0.56 -0.06 0.78 -1.16 0.00 0.00 179.01 179.13 3k59 h GLY 441 N 1.13 0.46 2.00 -3.84 0.00 0.30 -2.84 103.07 100.28 3k59 h GLY 441 Ca 0.02 -0.38 -0.03 0.00 0.00 0.00 0.00 47.33 46.93 3k59 h GLY 441 CO 0.06 0.35 -0.17 -0.33 0.00 0.00 0.00 176.54 176.45 3k59 h MET 442 N 0.15 0.00 0.00 4.80 2.86 -1.28 -1.13 114.93 120.33 3k59 h MET 442 Ca 0.05 0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.60 3k59 h MET 442 Cb 0.52 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.17 3k59 h MET 442 CO 0.02 0.17 -0.46 0.00 1.06 0.00 0.00 176.91 177.70 3k59 h ALA 443 N 1.83 1.03 -2.09 6.32 0.00 -1.37 -3.34 119.26 121.65 3k59 h ALA 443 Ca -0.00 -0.42 -0.57 0.00 0.00 0.00 0.00 54.91 53.92 3k59 h ALA 443 Cb 0.37 -0.07 -0.39 0.00 0.00 0.00 0.00 17.79 17.70 3k59 h ALA 443 CO 0.02 0.58 -1.06 1.04 0.00 0.00 0.00 179.25 179.83 3k59 n GLN 444 N -3.70 0.68 -1.27 0.00 6.02 -0.61 -5.04 117.38 113.47 3k59 n GLN 444 Ca -0.01 -3.27 -0.37 0.00 -0.01 0.00 0.00 57.00 53.35 3k59 n GLN 444 Cb 0.53 -1.35 -0.02 0.00 1.02 0.00 0.00 30.24 30.42 3k59 n GLN 444 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 3k59 n PRO 445 N 1.68 3.03 -4.04 -1.09 -0.04 -0.53 -4.18 135.00 129.83 3k59 n PRO 445 Ca 0.23 -2.11 -0.10 0.00 -0.04 0.00 0.00 63.50 61.48 3k59 n PRO 445 Cb 0.51 -2.84 -0.11 0.00 -0.04 0.00 0.00 33.50 31.02 3k59 n PRO 445 CO 0.00 0.00 0.00 0.16 -0.04 0.00 0.00 175.50 175.62 3k59 s ASP 446 N 2.86 0.54 0.64 3.54 1.47 -1.26 -5.04 116.67 119.42 3k59 s ASP 446 Ca 0.58 -0.65 0.35 0.00 1.18 0.00 0.00 52.55 54.00 3k59 s ASP 446 Cb 0.15 0.10 1.93 0.00 -0.34 0.00 0.00 42.92 44.76 3k59 s ASP 446 CO -0.05 -0.35 2.15 1.55 0.68 0.00 0.00 175.17 179.15 3k59 h PRO 447 N 4.17 0.00 -0.07 2.11 0.13 -1.89 0.61 132.00 137.06 3k59 h PRO 447 Ca -0.34 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.76 3k59 h PRO 447 Cb 1.19 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.32 3k59 h PRO 447 CO 0.48 0.00 -0.09 1.49 -0.23 0.00 0.00 178.00 179.65 3k59 h GLU 448 N 0.00 0.19 0.00 0.86 4.81 -1.96 -3.35 114.58 115.13 3k59 h GLU 448 Ca 0.03 -0.10 -0.02 0.00 -0.13 0.00 0.00 59.36 59.13 3k59 h GLU 448 Cb 0.36 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.75 3k59 h GLU 448 CO -0.00 0.64 -1.57 0.72 -0.73 0.00 0.00 179.01 178.07 3k59 n HIS 449 N -4.69 0.46 -4.21 0.92 8.25 -1.03 -4.96 115.22 109.97 3k59 n HIS 449 Ca -0.07 0.14 -0.14 0.00 -0.26 0.00 0.00 57.72 57.39 3k59 n HIS 449 Cb 0.32 -0.74 -0.09 0.00 1.12 0.00 0.00 29.99 30.59 3k59 n HIS 449 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 3k59 s SER 450 N -4.98 0.52 -0.02 0.41 0.01 0.18 -1.08 113.70 108.74 3k59 s SER 450 Ca -0.05 -1.47 0.05 0.00 1.31 0.00 0.00 55.95 55.80 3k59 s SER 450 Cb 0.12 0.43 -0.01 0.00 0.21 0.00 0.00 66.02 66.76 3k59 s SER 450 CO 0.85 -0.91 -0.18 0.28 0.41 0.00 0.00 173.24 173.69 3k59 s THR 451 N -3.97 1.45 0.29 1.44 -1.32 0.23 -4.00 115.64 109.77 3k59 s THR 451 Ca 0.39 -0.77 -0.29 0.00 -1.21 0.00 0.00 61.69 59.81 3k59 s THR 451 Cb 0.06 -1.21 -0.09 0.00 -1.51 0.00 0.00 72.50 69.74 3k59 s THR 451 CO 0.16 0.41 1.08 -0.70 -2.21 0.00 0.00 174.62 173.36 3k59 s GLU 452 N -0.35 4.59 0.00 7.08 2.12 -1.26 -0.49 118.70 130.39 3k59 s GLU 452 Ca 0.05 1.74 0.00 0.00 0.36 0.00 0.00 54.97 57.13 3k59 s GLU 452 Cb -0.08 -3.11 0.00 0.00 0.26 0.00 0.00 34.13 31.20 3k59 s GLU 452 CO -0.00 0.19 0.00 0.41 -0.54 0.00 0.00 175.26 175.31 3k59 n GLY 453 N 1.10 4.30 3.80 -1.50 0.00 0.37 -4.91 105.19 108.35 3k59 n GLY 453 Ca -0.00 -1.77 -0.25 0.00 0.00 0.00 0.00 46.02 44.00 3k59 n GLY 453 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3k59 s PHE 454 N 2.93 2.37 -1.46 1.61 0.08 -1.26 -4.51 117.98 117.74 3k59 s PHE 454 Ca 0.00 -0.65 -0.09 0.00 0.12 0.00 0.00 56.93 56.32 3k59 s PHE 454 Cb 0.00 -1.97 0.04 0.00 -0.57 0.00 0.00 43.02 40.52 3k59 s PHE 454 CO 0.00 -0.00 0.76 1.28 -0.10 0.00 0.00 175.22 177.16 3k59 n LEU 455 N -1.40 -2.51 -1.41 -0.37 4.77 -1.26 -1.61 117.00 113.21 3k59 n LEU 455 Ca -0.02 -0.46 -0.16 0.00 -0.03 0.00 0.00 56.01 55.35 3k59 n LEU 455 Cb 0.64 -2.70 -0.05 0.00 -2.33 0.00 0.00 43.42 38.99 3k59 n LEU 455 CO 0.43 0.34 -0.17 0.47 -1.33 0.00 0.00 177.39 177.13 3k59 n ASP 456 N -2.62 -4.84 -4.84 -1.43 8.00 -1.26 -4.96 116.55 104.59 3k59 n ASP 456 Ca -0.04 0.25 -0.33 0.00 0.71 0.00 0.00 54.79 55.39 3k59 n ASP 456 Cb 0.57 -3.81 -0.06 0.00 -0.02 0.00 0.00 41.12 37.80 3k59 n ASP 456 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3k59 s ALA 457 N -2.66 3.33 0.00 2.24 0.00 -0.63 -4.97 121.76 119.08 3k59 s ALA 457 Ca 0.00 0.07 0.02 0.00 0.00 0.00 0.00 51.96 52.05 3k59 s ALA 457 Cb 0.00 -2.79 -0.01 0.00 0.00 0.00 0.00 23.12 20.33 3k59 s ALA 457 CO 0.00 0.33 -0.08 -1.58 0.00 0.00 0.00 175.76 174.43 3k59 s TRP 458 N -1.92 0.71 -0.08 0.00 0.52 -1.26 -0.48 118.94 116.43 3k59 s TRP 458 Ca 0.53 -0.17 0.05 0.00 0.02 0.00 0.00 56.10 56.52 3k59 s TRP 458 Cb -0.11 -0.45 -0.00 0.00 -1.15 0.00 0.00 33.47 31.76 3k59 s TRP 458 CO 0.18 -0.01 -0.23 -0.06 0.02 0.00 0.00 176.95 176.84 3k59 s PHE 459 N -0.31 2.43 0.32 -1.98 0.08 0.36 -3.67 117.98 115.20 3k59 s PHE 459 Ca 0.02 -0.90 -0.29 0.00 0.12 0.00 0.00 56.93 55.87 3k59 s PHE 459 Cb -0.04 -1.62 -0.11 0.00 -0.57 0.00 0.00 43.02 40.68 3k59 s PHE 459 CO -0.00 -0.34 1.55 0.45 -0.10 0.00 0.00 175.22 176.78 3k59 n SER 460 N 3.35 3.81 0.09 1.36 2.88 -0.56 -0.60 113.62 123.96 3k59 n SER 460 Ca -0.19 1.18 -0.05 0.00 -1.33 0.00 0.00 58.87 58.48 3k59 n SER 460 Cb 0.53 -1.60 0.01 0.00 -0.75 0.00 0.00 64.21 62.40 3k59 n SER 460 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 3k59 h ARG 461 N 4.11 0.04 0.00 -1.46 3.08 -1.43 -3.38 114.38 115.32 3k59 h ARG 461 Ca -0.48 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 59.52 3k59 h ARG 461 Cb 1.23 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 31.29 3k59 h ARG 461 CO 0.74 0.84 -1.56 0.39 -1.07 0.00 0.00 179.97 179.31 3k59 n GLU 462 N -3.58 0.46 -3.89 0.04 -0.58 -1.26 -4.90 120.64 106.91 3k59 n GLU 462 Ca -0.01 -0.10 -0.34 0.00 -0.42 0.00 0.00 57.16 56.28 3k59 n GLU 462 Cb 0.79 -1.28 -0.13 0.00 -0.57 0.00 0.00 31.44 30.24 3k59 n GLU 462 CO 0.00 0.00 0.00 0.21 -0.48 0.00 0.00 177.13 176.86 3k59 s LYS 463 N -2.80 2.05 0.16 3.49 2.20 -1.26 -5.06 119.74 118.52 3k59 s LYS 463 Ca -0.04 -1.61 -0.22 0.00 -0.36 0.00 0.00 55.97 53.74 3k59 s LYS 463 Cb 0.07 -3.32 0.06 0.00 -1.51 0.00 0.00 37.83 33.14 3k59 s LYS 463 CO 0.49 -0.86 0.57 -3.38 -0.36 0.00 0.00 175.35 171.82 3k59 s HIS 464 N 1.12 -0.46 0.00 4.03 -3.43 -1.26 -3.63 115.29 111.66 3k59 s HIS 464 Ca 0.03 0.22 0.00 0.00 -0.80 0.00 0.00 55.06 54.51 3k59 s HIS 464 Cb -0.21 0.52 0.00 0.00 -1.43 0.00 0.00 32.58 31.46 3k59 s HIS 464 CO -0.04 -0.85 0.00 0.00 -2.00 0.00 0.00 174.74 171.85 3k59 h LEU 466 N 0.00 1.12 -0.71 0.00 5.85 -1.97 -2.59 115.31 117.00 3k59 h LEU 466 Ca 0.00 -0.11 0.08 0.00 0.84 0.00 0.00 57.88 58.69 3k59 h LEU 466 Cb 0.83 -0.28 -0.07 0.00 0.37 0.00 0.00 40.66 41.51 3k59 h LEU 466 CO 0.00 0.91 0.38 -0.65 -0.34 0.00 0.00 178.44 178.74 3k59 h PRO 467 N 1.24 0.65 -0.36 5.25 0.11 -1.82 0.44 132.00 137.50 3k59 h PRO 467 Ca 0.31 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 66.36 3k59 h PRO 467 Cb 0.05 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 31.00 3k59 h PRO 467 CO -0.05 0.43 0.14 0.93 -0.21 0.00 0.00 178.00 179.24 3k59 h GLU 468 N 0.66 0.55 -0.30 1.05 3.07 -1.83 -0.05 114.58 117.74 3k59 h GLU 468 Ca 0.34 -0.10 -0.01 0.00 -0.50 0.00 0.00 59.36 59.09 3k59 h GLU 468 Cb 0.30 -0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 28.11 3k59 h GLU 468 CO -0.23 0.54 0.16 0.82 -1.40 0.00 0.00 179.01 178.89 3k59 h ILE 469 N 0.44 1.13 -0.73 3.13 2.04 -1.04 -1.96 117.51 120.53 3k59 h ILE 469 Ca 0.12 -0.36 -0.03 0.00 1.00 0.00 0.00 64.86 65.59 3k59 h ILE 469 Cb 0.20 0.83 -0.03 0.00 -0.74 0.00 0.00 36.82 37.07 3k59 h ILE 469 CO -0.01 0.13 0.34 0.58 0.00 0.00 0.00 178.15 179.20 3k59 h VAL 470 N 0.36 1.24 -0.85 1.67 2.07 -0.82 -2.43 116.25 117.49 3k59 h VAL 470 Ca 0.10 -0.68 -0.00 0.00 0.82 0.00 0.00 66.70 66.94 3k59 h VAL 470 Cb 0.07 0.34 -0.04 0.00 -1.52 0.00 0.00 31.29 30.14 3k59 h VAL 470 CO -0.02 0.28 0.52 0.74 0.02 0.00 0.00 177.57 179.11 3k59 h THR 471 N 1.02 1.24 -0.40 2.57 2.02 -0.70 -0.14 112.91 118.52 3k59 h THR 471 Ca 0.25 -0.51 -0.02 0.00 0.77 0.00 0.00 66.41 66.90 3k59 h THR 471 Cb 0.13 0.04 -0.02 0.00 -1.74 0.00 0.00 68.15 66.56 3k59 h THR 471 CO -0.03 0.25 0.18 0.78 0.37 0.00 0.00 175.52 177.07 3k59 h ASN 472 N 1.17 0.53 -0.27 4.18 2.35 -1.06 -1.99 115.58 120.50 3k59 h ASN 472 Ca 0.31 -0.14 -0.09 0.00 -0.55 0.00 0.00 56.30 55.82 3k59 h ASN 472 Cb -0.05 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 38.16 3k59 h ASN 472 CO -0.06 0.53 -0.15 0.40 -1.65 0.00 0.00 177.43 176.50 3k59 h ILE 473 N 0.51 1.26 -0.36 2.81 2.04 -1.12 -2.24 117.51 120.40 3k59 h ILE 473 Ca 0.14 -1.18 0.04 0.00 1.00 0.00 0.00 64.86 64.85 3k59 h ILE 473 Cb 0.14 1.12 -0.04 0.00 -0.74 0.00 0.00 36.82 37.31 3k59 h ILE 473 CO -0.02 0.40 0.15 -0.25 0.00 0.00 0.00 178.15 178.43 3k59 h TRP 474 N 0.63 0.28 -0.34 1.37 2.91 -0.75 0.17 115.95 120.21 3k59 h TRP 474 Ca 0.10 0.02 -0.01 0.00 1.13 0.00 0.00 58.89 60.13 3k59 h TRP 474 Cb 0.61 -0.07 -0.02 0.00 -0.51 0.00 0.00 29.16 29.17 3k59 h TRP 474 CO 0.03 0.13 0.15 0.45 -1.03 0.00 0.00 178.44 178.17 3k59 h HIS 475 N 0.32 0.47 -0.64 2.65 3.86 -1.11 -0.07 115.15 120.63 3k59 h HIS 475 Ca 0.16 -0.01 -0.07 0.00 -1.16 0.00 0.00 60.37 59.29 3k59 h HIS 475 Cb 0.11 -0.15 -0.03 0.00 1.06 0.00 0.00 27.41 28.40 3k59 h HIS 475 CO -0.12 0.36 0.12 0.78 0.86 0.00 0.00 177.93 179.93 3k59 h GLY 476 N 0.60 1.13 1.25 2.45 0.00 -0.32 -1.40 103.07 106.78 3k59 h GLY 476 Ca 0.12 -0.73 -0.07 0.00 0.00 0.00 0.00 47.33 46.64 3k59 h GLY 476 CO -0.02 0.68 0.05 -0.09 0.00 0.00 0.00 176.54 177.17 3k59 h ARG 477 N 0.96 0.92 -0.76 4.80 2.43 0.59 -0.78 114.38 122.53 3k59 h ARG 477 Ca 0.20 -0.24 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 3k59 h ARG 477 Cb 0.41 -0.11 -0.04 0.00 -0.42 0.00 0.00 29.97 29.81 3k59 h ARG 477 CO 0.01 0.88 0.49 -0.44 -1.51 0.00 0.00 179.97 179.40 3k59 h ASP 478 N 0.86 0.89 -0.52 -3.80 3.32 -0.61 -0.53 116.42 116.04 3k59 h ASP 478 Ca 0.17 -0.04 -0.10 0.00 0.02 0.00 0.00 57.03 57.08 3k59 h ASP 478 Cb 0.43 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.74 3k59 h ASP 478 CO 0.02 0.66 -0.07 -0.08 -1.72 0.00 0.00 179.24 178.05 3k59 h GLU 479 N 1.03 0.99 -0.77 3.56 4.57 -0.81 -0.95 114.58 122.22 3k59 h GLU 479 Ca 0.28 -0.34 -0.02 0.00 -1.18 0.00 0.00 59.36 58.10 3k59 h GLU 479 Cb -0.09 -0.08 -0.04 0.00 -0.16 0.00 0.00 28.75 28.39 3k59 h GLU 479 CO -0.06 1.02 0.41 0.00 -1.18 0.00 0.00 179.01 179.20 3k59 h ALA 480 N 1.02 0.99 -0.50 2.92 0.00 -0.50 -0.67 119.26 122.51 3k59 h ALA 480 Ca 0.15 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 3k59 h ALA 480 Cb 0.61 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 3k59 h ALA 480 CO 0.04 0.51 -0.00 0.87 0.00 0.00 0.00 179.25 180.66 3k59 h LYS 481 N 1.07 0.88 -0.67 0.00 1.57 -0.94 0.60 116.57 119.07 3k59 h LYS 481 Ca 0.27 -0.28 0.01 0.00 -1.87 0.00 0.00 60.65 58.78 3k59 h LYS 481 Cb 0.05 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.25 3k59 h LYS 481 CO -0.04 0.92 0.45 -0.09 -0.57 0.00 0.00 179.45 180.11 3k59 h ARG 482 N 0.74 0.86 -0.00 3.15 2.43 -0.61 -1.19 114.38 119.76 3k59 h ARG 482 Ca 0.14 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.26 3k59 h ARG 482 Cb 0.52 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 29.88 3k59 h ARG 482 CO 0.03 0.57 -0.07 1.04 -1.51 0.00 0.00 179.97 180.02 3k59 n GLN 483 N -4.44 0.65 -1.21 0.20 6.02 -0.31 -4.91 117.38 113.38 3k59 n GLN 483 Ca 0.07 -0.16 -0.04 0.00 -0.01 0.00 0.00 57.00 56.86 3k59 n GLN 483 Cb 0.06 -1.50 -0.02 0.00 1.02 0.00 0.00 30.24 29.81 3k59 n GLN 483 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3k59 n GLY 484 N 1.26 0.66 3.43 1.08 0.00 -0.45 -4.97 105.19 106.20 3k59 n GLY 484 Ca 0.15 -0.86 -0.44 0.00 0.00 0.00 0.00 46.02 44.87 3k59 n GLY 484 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3k59 s ASN 485 N -2.94 6.80 0.12 1.61 3.84 0.14 -4.89 114.94 119.62 3k59 s ASN 485 Ca 0.00 -2.46 -0.18 0.00 0.21 0.00 0.00 52.86 50.43 3k59 s ASN 485 Cb 0.00 -2.37 -0.05 0.00 -0.55 0.00 0.00 41.25 38.29 3k59 s ASN 485 CO 0.00 -0.88 1.70 0.11 -2.79 0.00 0.00 177.10 175.24 3k59 h LYS 486 N 8.15 0.40 -0.50 0.43 1.57 -1.93 -1.49 116.57 123.20 3k59 h LYS 486 Ca 0.19 -0.05 0.02 0.00 -1.87 0.00 0.00 60.65 58.94 3k59 h LYS 486 Cb 0.98 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 33.18 3k59 h LYS 486 CO 1.09 0.37 0.30 -1.35 -0.57 0.00 0.00 179.45 179.29 3k59 h PRO 487 N 0.33 0.58 -0.68 3.15 0.11 -1.90 -1.41 132.00 132.18 3k59 h PRO 487 Ca 0.10 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 66.10 3k59 h PRO 487 Cb 0.10 -0.13 -0.03 0.00 0.11 0.00 0.00 31.00 31.05 3k59 h PRO 487 CO -0.01 0.38 0.14 1.25 -0.21 0.00 0.00 178.00 179.54 3k59 h LEU 488 N 0.59 1.04 -0.65 2.35 5.85 -1.89 -0.78 115.31 121.82 3k59 h LEU 488 Ca 0.20 -0.23 -0.01 0.00 0.84 0.00 0.00 57.88 58.67 3k59 h LEU 488 Cb 0.02 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 40.74 3k59 h LEU 488 CO -0.09 1.02 0.36 -1.28 -0.34 0.00 0.00 178.44 178.10 3k59 h SER 489 N 1.03 0.81 -0.55 1.25 0.87 -0.95 -1.69 113.55 114.32 3k59 h SER 489 Ca 0.21 -0.09 -0.07 0.00 -1.23 0.00 0.00 61.79 60.61 3k59 h SER 489 Cb 0.40 -0.21 -0.02 0.00 -0.44 0.00 0.00 62.40 62.13 3k59 h SER 489 CO 0.01 0.67 0.09 -0.61 -0.53 0.00 0.00 176.83 176.46 3k59 h GLN 490 N 0.88 0.95 -0.48 2.24 5.75 -0.96 -1.62 115.11 121.88 3k59 h GLN 490 Ca 0.23 -0.24 -0.04 0.00 -0.15 0.00 0.00 58.65 58.45 3k59 h GLN 490 Cb 0.04 -0.12 -0.02 0.00 1.07 0.00 0.00 27.48 28.45 3k59 h GLN 490 CO -0.04 0.89 0.14 0.00 -2.65 0.00 0.00 178.83 177.17 3k59 h ALA 491 N 1.19 0.63 -0.32 3.38 0.00 -0.67 -1.17 119.26 122.31 3k59 h ALA 491 Ca 0.18 -0.19 -0.13 0.00 0.00 0.00 0.00 54.91 54.78 3k59 h ALA 491 Cb 0.40 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 3k59 h ALA 491 CO 0.01 0.30 -0.32 -0.07 0.00 0.00 0.00 179.25 179.17 3k59 h LEU 492 N 0.65 0.72 -0.43 0.00 3.38 -1.19 -0.58 115.31 117.86 3k59 h LEU 492 Ca 0.15 -0.29 0.01 0.00 0.09 0.00 0.00 57.88 57.84 3k59 h LEU 492 Cb 0.29 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 3k59 h LEU 492 CO -0.00 0.99 0.28 0.50 0.09 0.00 0.00 178.44 180.29 3k59 h LYS 493 N 0.59 0.56 -0.43 1.13 3.64 -1.09 -1.53 116.57 119.44 3k59 h LYS 493 Ca 0.07 -0.03 -0.12 0.00 -1.27 0.00 0.00 60.65 59.30 3k59 h LYS 493 Cb 0.83 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.51 3k59 h LYS 493 CO 0.07 0.37 -0.18 0.82 -2.27 0.00 0.00 179.45 178.26 3k59 h ILE 494 N 0.57 1.28 -0.60 2.00 1.08 -0.98 -1.59 117.51 119.27 3k59 h ILE 494 Ca 0.16 -1.32 0.02 0.00 -0.39 0.00 0.00 64.86 63.33 3k59 h ILE 494 Cb -0.06 1.21 -0.04 0.00 -3.07 0.00 0.00 36.82 34.87 3k59 h ILE 494 CO -0.04 0.45 0.38 0.40 -0.69 0.00 0.00 178.15 178.64 3k59 h ILE 495 N 0.71 1.10 -0.55 -0.67 2.04 -0.90 0.28 117.51 119.52 3k59 h ILE 495 Ca 0.10 -0.26 -0.05 0.00 1.00 0.00 0.00 64.86 65.65 3k59 h ILE 495 Cb 0.74 0.28 -0.02 0.00 -0.74 0.00 0.00 36.82 37.08 3k59 h ILE 495 CO 0.06 0.14 0.13 0.24 0.00 0.00 0.00 178.15 178.72 3k59 h MET 496 N 0.75 0.88 -0.21 2.37 2.86 -1.14 -1.96 114.93 118.48 3k59 h MET 496 Ca 0.23 -0.21 -0.08 0.00 -2.06 0.00 0.00 59.70 57.58 3k59 h MET 496 Cb -0.02 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.52 3k59 h MET 496 CO -0.08 0.82 -0.23 -0.91 1.06 0.00 0.00 176.91 177.58 3k59 h ASN 497 N 0.77 0.37 0.47 1.22 2.35 -0.81 -2.05 115.58 117.90 3k59 h ASN 497 Ca 0.17 -0.11 -0.03 0.00 -0.55 0.00 0.00 56.30 55.78 3k59 h ASN 497 Cb 0.34 -0.10 -0.00 0.00 0.05 0.00 0.00 38.32 38.61 3k59 h ASN 497 CO 0.00 0.60 -0.14 0.00 -1.65 0.00 0.00 177.43 176.24 3k59 h ALA 498 N 1.43 1.23 0.00 -0.83 0.00 -0.00 -0.92 119.26 120.17 3k59 h ALA 498 Ca 0.05 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 3k59 h ALA 498 Cb 0.59 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 3k59 h ALA 498 CO 0.04 0.18 -0.26 0.74 0.00 0.00 0.00 179.25 179.95 3k59 h PHE 499 N 0.00 0.00 0.15 0.00 -1.00 -0.62 -0.22 116.94 115.26 3k59 h PHE 499 Ca -0.00 0.00 -0.22 0.00 2.81 0.00 0.00 57.97 60.56 3k59 h PHE 499 Cb 0.42 0.00 0.03 0.00 3.61 0.00 0.00 35.95 40.00 3k59 h PHE 499 CO 0.00 0.26 -0.95 -0.92 -1.61 0.00 0.00 178.31 175.09 3k59 h TYR 500 N 0.00 0.67 -0.36 -0.55 3.20 -1.23 -3.36 116.97 115.33 3k59 h TYR 500 Ca -0.00 -0.47 0.07 0.00 3.14 0.00 0.00 58.73 61.46 3k59 h TYR 500 Cb 0.73 -0.03 -0.06 0.00 1.54 0.00 0.00 36.73 38.90 3k59 h TYR 500 CO 0.00 1.36 -0.01 0.78 -1.64 0.00 0.00 178.16 178.65 3k59 h GLY 501 N -0.21 0.35 2.00 1.82 0.00 -0.38 -2.60 103.07 104.05 3k59 h GLY 501 Ca -0.16 0.05 -0.01 0.00 0.00 0.00 0.00 47.33 47.21 3k59 h GLY 501 CO 0.18 -0.09 -0.05 -0.39 0.00 0.00 0.00 176.54 176.19 3k59 h VAL 502 N 0.09 0.65 0.00 4.60 -1.51 -1.23 -1.37 116.25 117.48 3k59 h VAL 502 Ca 0.18 -0.21 0.00 0.00 -1.23 0.00 0.00 66.70 65.44 3k59 h VAL 502 Cb 0.25 1.13 0.00 0.00 -2.13 0.00 0.00 31.29 30.53 3k59 h VAL 502 CO -0.30 0.05 0.00 0.18 -1.23 0.00 0.00 177.57 176.27 3k59 n LEU 503 N -3.92 0.00 -0.74 4.19 4.77 -0.98 -2.62 117.00 117.70 3k59 n LEU 503 Ca -0.03 0.37 0.07 0.00 -0.03 0.00 0.00 56.01 56.40 3k59 n LEU 503 Cb 0.14 -0.37 0.14 0.00 -2.33 0.00 0.00 43.42 41.00 3k59 n LEU 503 CO 0.30 -0.11 0.59 0.61 -1.33 0.00 0.00 177.39 177.45 3k59 n GLY 504 N 0.54 1.51 3.32 -0.72 0.00 -0.52 -2.06 105.19 107.26 3k59 n GLY 504 Ca 0.08 -0.47 -0.31 0.00 0.00 0.00 0.00 46.02 45.32 3k59 n GLY 504 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3k59 s THR 505 N -1.11 2.10 -0.51 2.61 -1.32 -1.08 -4.97 115.64 111.37 3k59 s THR 505 Ca 0.25 -1.09 0.21 0.00 -1.21 0.00 0.00 61.69 59.85 3k59 s THR 505 Cb 0.14 -1.73 0.22 0.00 -1.51 0.00 0.00 72.50 69.62 3k59 s THR 505 CO 0.20 0.58 1.65 0.35 -2.21 0.00 0.00 174.62 175.19 3k59 n THR 506 N 2.44 0.93 0.61 5.08 -2.24 -1.26 -1.69 114.28 118.14 3k59 n THR 506 Ca -0.16 0.33 0.08 0.00 -2.27 0.00 0.00 64.05 62.03 3k59 n THR 506 Cb 0.51 -1.26 0.37 0.00 -2.10 0.00 0.00 70.33 67.85 3k59 n THR 506 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3k59 n ALA 507 N -1.73 1.79 -2.90 6.98 0.00 -1.26 -4.56 120.51 118.83 3k59 n ALA 507 Ca 0.02 -0.06 -0.34 0.00 0.00 0.00 0.00 53.44 53.05 3k59 n ALA 507 Cb 0.18 -1.28 -0.11 0.00 0.00 0.00 0.00 19.45 18.24 3k59 n ALA 507 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3k59 h ARG 509 N 6.73 0.00 -0.10 0.00 0.11 -1.86 -1.65 114.38 117.61 3k59 h ARG 509 Ca -0.34 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.74 3k59 h ARG 509 Cb 1.18 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.26 3k59 h ARG 509 CO 0.66 0.04 0.00 1.19 0.10 0.00 0.00 179.97 181.96 3k59 n PHE 510 N -3.60 0.12 -1.59 4.08 3.72 -1.26 -4.57 117.46 114.37 3k59 n PHE 510 Ca -0.02 -0.06 -0.49 0.00 -0.05 0.00 0.00 57.45 56.82 3k59 n PHE 510 Cb 0.15 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 38.64 3k59 n PHE 510 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 3k59 n PHE 511 N 0.18 1.40 -3.52 1.38 7.35 -0.62 -4.89 117.46 118.74 3k59 n PHE 511 Ca 0.17 0.65 -0.00 0.00 -0.76 0.00 0.00 57.45 57.51 3k59 n PHE 511 Cb 0.32 -2.30 -0.05 0.00 0.35 0.00 0.00 39.48 37.80 3k59 n PHE 511 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 3k59 s ASP 512 N 0.15 -0.69 0.47 -2.13 -1.08 -0.88 -4.72 116.67 107.80 3k59 s ASP 512 Ca 0.76 0.99 0.19 0.00 -0.52 0.00 0.00 52.55 53.98 3k59 s ASP 512 Cb -0.87 1.66 1.20 0.00 -1.46 0.00 0.00 42.92 43.45 3k59 s ASP 512 CO 0.50 -0.14 1.97 -0.65 0.52 0.00 0.00 175.17 177.37 3k59 h PRO 513 N 7.23 0.22 -0.31 4.34 0.11 -1.85 0.11 132.00 141.84 3k59 h PRO 513 Ca -0.20 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.87 3k59 h PRO 513 Cb 1.14 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 32.18 3k59 h PRO 513 CO 0.12 0.15 0.09 0.00 -0.21 0.00 0.00 178.00 178.15 3k59 h ARG 514 N 0.23 0.44 0.18 1.05 3.08 -1.93 0.94 114.38 118.39 3k59 h ARG 514 Ca 0.29 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 60.27 3k59 h ARG 514 Cb 0.84 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.81 3k59 h ARG 514 CO -0.06 0.40 -0.09 -0.07 -1.07 0.00 0.00 179.97 179.08 3k59 h LEU 515 N 0.44 -0.21 -0.41 3.04 3.38 -1.11 -2.27 115.31 118.18 3k59 h LEU 515 Ca 0.11 -0.32 -0.01 0.00 0.09 0.00 0.00 57.88 57.75 3k59 h LEU 515 Cb 0.15 0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 3k59 h LEU 515 CO -0.01 0.32 0.23 0.00 0.09 0.00 0.00 178.44 179.07 3k59 h ALA 516 N -0.34 0.52 -0.09 1.53 0.00 -1.41 -2.88 119.26 116.59 3k59 h ALA 516 Ca -0.03 -0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.73 3k59 h ALA 516 Cb 0.52 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 3k59 h ALA 516 CO 0.04 0.03 -0.33 0.77 0.00 0.00 0.00 179.25 179.76 3k59 h SER 517 N 0.53 0.18 0.70 0.00 0.02 -0.93 -1.03 113.55 113.01 3k59 h SER 517 Ca 0.14 -0.06 -0.03 0.00 -0.84 0.00 0.00 61.79 61.00 3k59 h SER 517 Cb 0.04 -0.05 -0.00 0.00 0.14 0.00 0.00 62.40 62.52 3k59 h SER 517 CO -0.02 0.51 -0.15 0.28 -1.14 0.00 0.00 176.83 176.31 3k59 h SER 518 N 0.16 0.00 0.00 3.07 0.02 -1.20 -0.12 113.55 115.47 3k59 h SER 518 Ca 0.02 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.93 3k59 h SER 518 Cb 0.67 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.21 3k59 h SER 518 CO 0.05 0.15 -0.31 0.40 -1.14 0.00 0.00 176.83 175.97 3k59 h ILE 519 N 0.00 0.57 -0.68 3.27 2.04 -1.24 -3.30 117.51 118.17 3k59 h ILE 519 Ca -0.00 -1.51 -0.08 0.00 1.00 0.00 0.00 64.86 64.28 3k59 h ILE 519 Cb 0.53 1.16 -0.03 0.00 -0.74 0.00 0.00 36.82 37.75 3k59 h ILE 519 CO 0.02 0.19 0.13 0.71 0.00 0.00 0.00 178.15 179.21 3k59 h THR 520 N -1.00 1.26 0.00 -0.27 1.35 -1.16 -2.12 112.91 110.98 3k59 h THR 520 Ca -0.05 -1.01 -0.07 0.00 -0.55 0.00 0.00 66.41 64.72 3k59 h THR 520 Cb 0.56 0.59 -0.01 0.00 -1.73 0.00 0.00 68.15 67.56 3k59 h THR 520 CO -0.03 0.38 -0.34 0.24 -0.25 0.00 0.00 175.52 175.52 3k59 h MET 521 N 1.05 0.00 -0.14 4.72 2.86 -1.23 -1.09 114.93 121.10 3k59 h MET 521 Ca 0.21 0.00 -0.13 0.00 -2.06 0.00 0.00 59.70 57.72 3k59 h MET 521 Cb 0.41 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.06 3k59 h MET 521 CO 0.01 0.34 -0.48 -0.09 1.06 0.00 0.00 176.91 177.75 3k59 h ARG 522 N 0.00 0.36 -0.80 1.72 9.65 -1.55 -2.83 114.38 120.93 3k59 h ARG 522 Ca -0.00 -0.20 -0.05 0.00 -1.10 0.00 0.00 59.98 58.63 3k59 h ARG 522 Cb 0.66 0.01 -0.04 0.00 -1.39 0.00 0.00 29.97 29.22 3k59 h ARG 522 CO 0.04 0.76 0.32 0.78 2.80 0.00 0.00 179.97 184.67 3k59 h GLY 523 N 1.23 1.28 0.99 2.80 0.00 -0.55 -0.65 103.07 108.16 3k59 h GLY 523 Ca 0.02 -0.70 -0.01 0.00 0.00 0.00 0.00 47.33 46.64 3k59 h GLY 523 CO 0.08 0.66 0.30 0.45 0.00 0.00 0.00 176.54 178.02 3k59 h HIS 524 N 1.16 0.68 -0.50 5.60 3.86 -1.19 0.55 115.15 125.30 3k59 h HIS 524 Ca 0.27 -0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.47 3k59 h HIS 524 Cb 0.22 -0.22 -0.02 0.00 1.06 0.00 0.00 27.41 28.44 3k59 h HIS 524 CO 0.02 0.48 0.30 0.37 0.86 0.00 0.00 177.93 179.96 3k59 h GLN 525 N 0.68 0.67 -0.65 2.45 4.15 -1.25 -1.61 115.11 119.55 3k59 h GLN 525 Ca 0.18 -0.06 -0.06 0.00 0.77 0.00 0.00 58.65 59.48 3k59 h GLN 525 Cb 0.01 -0.14 -0.03 0.00 0.21 0.00 0.00 27.48 27.53 3k59 h GLN 525 CO -0.03 0.49 0.18 0.82 -1.93 0.00 0.00 178.83 178.36 3k59 h ILE 526 N 0.66 1.25 -0.09 2.39 2.04 -0.68 -1.09 117.51 121.99 3k59 h ILE 526 Ca 0.18 -0.91 -0.00 0.00 1.00 0.00 0.00 64.86 65.13 3k59 h ILE 526 Cb -0.01 0.60 -0.00 0.00 -0.74 0.00 0.00 36.82 36.66 3k59 h ILE 526 CO -0.03 0.35 0.05 0.24 0.00 0.00 0.00 178.15 178.76 3k59 h MET 527 N 0.96 0.12 -0.52 2.37 2.86 -0.55 -1.04 114.93 119.13 3k59 h MET 527 Ca 0.21 -0.01 -0.10 0.00 -2.06 0.00 0.00 59.70 57.73 3k59 h MET 527 Cb 0.34 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.95 3k59 h MET 527 CO -0.00 0.12 -0.08 0.00 1.06 0.00 0.00 176.91 178.01 3k59 h ARG 528 N 0.08 0.96 -0.60 1.72 3.08 -1.21 -2.12 114.38 116.29 3k59 h ARG 528 Ca 0.03 -0.33 -0.10 0.00 0.07 0.00 0.00 59.98 59.66 3k59 h ARG 528 Cb 0.03 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 29.99 3k59 h ARG 528 CO -0.01 0.99 -0.01 0.37 -1.07 0.00 0.00 179.97 180.24 3k59 h GLN 529 N 0.86 1.06 -0.73 0.04 5.75 -1.10 -1.85 115.11 119.15 3k59 h GLN 529 Ca 0.14 -0.34 -0.01 0.00 -0.15 0.00 0.00 58.65 58.29 3k59 h GLN 529 Cb 0.62 -0.09 -0.04 0.00 1.07 0.00 0.00 27.48 29.04 3k59 h GLN 529 CO 0.04 1.05 0.43 1.15 -2.65 0.00 0.00 178.83 178.85 3k59 h THR 530 N 0.96 1.21 -0.33 2.39 2.02 -1.01 0.03 112.91 118.19 3k59 h THR 530 Ca 0.17 -0.48 -0.00 0.00 0.77 0.00 0.00 66.41 66.86 3k59 h THR 530 Cb 0.57 0.21 -0.02 0.00 -1.74 0.00 0.00 68.15 67.18 3k59 h THR 530 CO 0.03 0.22 0.20 0.50 0.37 0.00 0.00 175.52 176.85 3k59 h LYS 531 N 1.00 0.45 -0.91 6.66 3.64 -1.15 -1.45 116.57 124.82 3k59 h LYS 531 Ca 0.26 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.59 3k59 h LYS 531 Cb -0.02 -0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 31.67 3k59 h LYS 531 CO -0.05 0.33 0.53 0.00 -2.27 0.00 0.00 179.45 178.00 3k59 h ALA 532 N 1.09 1.16 -0.58 5.00 0.00 -0.80 -0.65 119.26 124.47 3k59 h ALA 532 Ca 0.12 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 3k59 h ALA 532 Cb -0.00 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 17.40 3k59 h ALA 532 CO -0.02 0.63 0.24 -0.07 0.00 0.00 0.00 179.25 180.02 3k59 h LEU 533 N 1.25 0.80 -0.42 0.00 3.38 -0.63 -1.10 115.31 118.59 3k59 h LEU 533 Ca 0.32 -0.17 -0.12 0.00 0.09 0.00 0.00 57.88 58.00 3k59 h LEU 533 Cb -0.03 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 3k59 h LEU 533 CO -0.06 0.75 -0.22 0.40 0.09 0.00 0.00 178.44 179.41 3k59 h ILE 534 N 0.80 1.28 -0.35 1.22 2.04 -0.88 -2.72 117.51 118.90 3k59 h ILE 534 Ca 0.19 -1.37 -0.05 0.00 1.00 0.00 0.00 64.86 64.64 3k59 h ILE 534 Cb 0.20 1.25 -0.02 0.00 -0.74 0.00 0.00 36.82 37.51 3k59 h ILE 534 CO -0.02 0.46 0.02 -0.33 0.00 0.00 0.00 178.15 178.28 3k59 h GLU 535 N 0.72 0.54 0.00 2.37 5.08 -0.97 -1.49 114.58 120.83 3k59 h GLU 535 Ca 0.09 -0.11 -0.04 0.00 -1.00 0.00 0.00 59.36 58.30 3k59 h GLU 535 Cb 0.78 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.95 3k59 h GLU 535 CO 0.06 0.55 -0.19 0.00 -1.00 0.00 0.00 179.01 178.43 3k59 h ALA 536 N 1.51 1.22 -0.10 3.43 0.00 -0.98 -1.38 119.26 122.96 3k59 h ALA 536 Ca 0.11 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3k59 h ALA 536 Cb 0.31 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.07 3k59 h ALA 536 CO 0.01 0.24 0.00 1.04 0.00 0.00 0.00 179.25 180.54 3k59 n GLN 537 N -3.64 1.38 -0.22 0.00 1.13 -0.57 -4.91 117.38 110.55 3k59 n GLN 537 Ca -0.01 -0.57 0.00 0.00 -1.94 0.00 0.00 57.00 54.47 3k59 n GLN 537 Cb 0.32 -1.32 0.00 0.00 0.11 0.00 0.00 30.24 29.35 3k59 n GLN 537 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3k59 n GLY 538 N 0.94 0.85 3.43 1.08 0.00 -0.52 -5.09 105.19 105.88 3k59 n GLY 538 Ca 0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.86 3k59 n GLY 538 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3k59 s TYR 539 N -2.07 2.47 0.23 1.61 2.02 -1.15 -5.03 117.35 115.43 3k59 s TYR 539 Ca 0.00 -0.31 -0.30 0.00 -0.37 0.00 0.00 57.07 56.10 3k59 s TYR 539 Cb 0.00 -1.39 -0.09 0.00 -0.40 0.00 0.00 41.96 40.09 3k59 s TYR 539 CO 0.00 0.28 0.94 -0.51 -1.57 0.00 0.00 175.55 174.69 3k59 s ASP 540 N -1.69 7.64 -0.26 2.29 1.11 -1.24 -3.61 116.67 120.91 3k59 s ASP 540 Ca 0.15 1.94 -0.05 0.00 0.18 0.00 0.00 52.55 54.76 3k59 s ASP 540 Cb -0.10 -2.61 0.00 0.00 1.07 0.00 0.00 42.92 41.28 3k59 s ASP 540 CO 0.06 0.15 0.02 -0.69 1.18 0.00 0.00 175.17 175.89 3k59 s VAL 541 N -1.13 3.64 -0.86 -1.27 1.01 -1.26 -0.73 120.40 119.81 3k59 s VAL 541 Ca 0.41 -0.65 0.21 0.00 0.00 0.00 0.00 61.98 61.95 3k59 s VAL 541 Cb -0.26 -2.80 -0.24 0.00 0.00 0.00 0.00 36.38 33.08 3k59 s VAL 541 CO 0.32 0.21 0.86 2.30 0.00 0.00 0.00 175.10 178.79 3k59 n ILE 542 N 4.82 0.00 -3.67 2.22 -5.35 -0.10 -4.93 119.36 112.35 3k59 n ILE 542 Ca -0.16 -0.07 -0.01 0.00 -0.27 0.00 0.00 62.75 62.23 3k59 n ILE 542 Cb 0.49 0.82 -0.01 0.00 -1.74 0.00 0.00 39.64 39.20 3k59 n ILE 542 CO 0.00 0.00 0.00 -0.47 -1.76 0.00 0.00 176.55 174.32 3k59 s TYR 543 N -3.08 -0.10 -0.29 4.28 5.04 -1.25 -1.20 117.35 120.76 3k59 s TYR 543 Ca 0.06 -0.09 -0.27 0.00 -2.44 0.00 0.00 57.07 54.32 3k59 s TYR 543 Cb 0.16 0.58 0.19 0.00 0.35 0.00 0.00 41.96 43.25 3k59 s TYR 543 CO 0.87 -0.52 1.40 0.20 -1.34 0.00 0.00 175.55 176.16 3k59 s GLY 544 N -2.90 0.21 -0.23 8.97 0.00 -1.26 -0.20 107.32 111.91 3k59 s GLY 544 Ca 0.13 3.14 -0.04 0.00 0.00 0.00 0.00 44.72 47.95 3k59 s GLY 544 CO -0.02 1.45 0.10 -0.35 0.00 0.00 0.00 173.10 174.29 3k59 s ASP 545 N -0.59 2.97 0.00 1.64 -1.08 -1.17 -1.21 116.67 117.23 3k59 s ASP 545 Ca 0.08 -0.96 0.00 0.00 -0.52 0.00 0.00 52.55 51.15 3k59 s ASP 545 Cb -0.03 -0.36 0.00 0.00 -1.46 0.00 0.00 42.92 41.08 3k59 s ASP 545 CO -0.11 -0.39 0.00 0.41 0.52 0.00 0.00 175.17 175.60 3k59 n THR 546 N 5.22 0.00 -2.15 1.71 -1.04 0.08 -3.14 114.28 114.97 3k59 n THR 546 Ca -0.07 0.00 0.01 0.00 -2.04 0.00 0.00 64.05 61.96 3k59 n THR 546 Cb 0.46 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.97 3k59 n THR 546 CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 3k59 n ASP 547 N 1.77 0.27 -4.37 8.00 5.75 -1.26 -4.67 116.55 122.03 3k59 n ASP 547 Ca 0.00 -1.96 -0.21 0.00 -0.01 0.00 0.00 54.79 52.60 3k59 n ASP 547 Cb 0.00 -0.21 -0.11 0.00 -1.03 0.00 0.00 41.12 39.77 3k59 n ASP 547 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 3k59 s SER 548 N -1.25 2.89 -0.04 -1.12 1.04 -1.19 -1.37 113.70 112.66 3k59 s SER 548 Ca 0.10 -0.96 -0.01 0.00 0.48 0.00 0.00 55.95 55.57 3k59 s SER 548 Cb 0.11 -0.19 0.03 0.00 0.10 0.00 0.00 66.02 66.07 3k59 s SER 548 CO -0.05 -0.06 0.01 -0.89 0.98 0.00 0.00 173.24 173.24 3k59 s THR 549 N -2.46 0.17 -0.33 2.02 2.01 0.01 -3.04 115.64 114.04 3k59 s THR 549 Ca 0.22 0.17 -0.13 0.00 0.31 0.00 0.00 61.69 62.26 3k59 s THR 549 Cb -0.04 -0.32 -0.02 0.00 0.01 0.00 0.00 72.50 72.13 3k59 s THR 549 CO 0.09 0.18 0.24 -0.36 -0.69 0.00 0.00 174.62 174.08 3k59 s PHE 550 N 1.52 3.23 -0.31 4.92 2.99 0.72 -1.31 117.98 129.74 3k59 s PHE 550 Ca -0.03 -0.12 -0.08 0.00 0.00 0.00 0.00 56.93 56.70 3k59 s PHE 550 Cb -0.13 -2.46 0.00 0.00 0.00 0.00 0.00 43.02 40.43 3k59 s PHE 550 CO -0.03 -0.32 0.12 0.08 -0.00 0.00 0.00 175.22 175.07 3k59 s VAL 551 N 1.75 4.27 -0.28 -0.44 1.01 0.48 -0.92 120.40 126.26 3k59 s VAL 551 Ca 0.07 -0.61 -0.25 0.00 0.00 0.00 0.00 61.98 61.19 3k59 s VAL 551 Cb -0.17 -3.21 0.00 0.00 0.00 0.00 0.00 36.38 33.00 3k59 s VAL 551 CO 0.11 0.04 0.88 0.86 0.00 0.00 0.00 175.10 176.99 3k59 s TRP 552 N 1.55 3.24 -0.52 5.22 -0.00 0.09 -0.62 118.94 127.91 3k59 s TRP 552 Ca 0.03 1.06 -0.16 0.00 -0.00 0.00 0.00 56.10 57.04 3k59 s TRP 552 Cb -0.17 -3.25 0.11 0.00 -0.00 0.00 0.00 33.47 30.16 3k59 s TRP 552 CO 0.04 -0.54 0.47 -0.51 -0.00 0.00 0.00 176.95 176.42 3k59 s LEU 553 N 3.07 6.02 0.46 5.86 1.43 -0.86 -3.65 118.68 131.01 3k59 s LEU 553 Ca 0.37 -1.65 -0.25 0.00 -1.03 0.00 0.00 54.13 51.57 3k59 s LEU 553 Cb -0.14 -2.20 -0.08 0.00 0.03 0.00 0.00 46.19 43.80 3k59 s LEU 553 CO 0.11 -0.80 1.36 -0.54 0.23 0.00 0.00 176.35 176.71 3k59 s LYS 554 N 1.62 3.66 0.52 1.70 1.02 -1.26 -4.43 119.74 122.56 3k59 s LYS 554 Ca 0.03 2.26 0.00 0.00 0.02 0.00 0.00 55.97 58.29 3k59 s LYS 554 Cb -0.28 -2.58 0.00 0.00 -0.52 0.00 0.00 37.83 34.44 3k59 s LYS 554 CO 0.04 -0.79 0.00 0.41 -0.92 0.00 0.00 175.35 174.09 3k59 n GLY 555 N 0.62 -1.80 3.62 -3.33 0.00 -1.26 -4.90 105.19 98.15 3k59 n GLY 555 Ca 0.06 -1.81 -0.41 0.00 0.00 0.00 0.00 46.02 43.87 3k59 n GLY 555 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k59 s ALA 556 N -1.66 3.61 -0.05 4.61 0.00 -1.26 -4.63 121.76 122.37 3k59 s ALA 556 Ca 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 51.96 51.51 3k59 s ALA 556 Cb 0.00 -3.03 0.02 0.00 0.00 0.00 0.00 23.12 20.12 3k59 s ALA 556 CO 0.00 -0.82 -0.02 -1.01 0.00 0.00 0.00 175.76 173.91 3k59 s HIS 557 N 2.50 0.64 0.85 0.00 3.76 -1.26 -5.09 115.29 116.70 3k59 s HIS 557 Ca 0.26 -0.16 -0.12 0.00 -0.15 0.00 0.00 55.06 54.89 3k59 s HIS 557 Cb -0.15 -0.65 0.10 0.00 1.11 0.00 0.00 32.58 32.99 3k59 s HIS 557 CO 0.09 -0.21 1.17 -1.54 -0.85 0.00 0.00 174.74 173.39 3k59 s SER 558 N 1.21 4.11 0.22 1.40 1.04 -1.26 -4.80 113.70 115.63 3k59 s SER 558 Ca -0.07 0.84 -0.07 0.00 0.48 0.00 0.00 55.95 57.13 3k59 s SER 558 Cb -0.14 -1.36 0.19 0.00 0.10 0.00 0.00 66.02 64.81 3k59 s SER 558 CO -0.02 -2.16 1.83 -0.33 0.98 0.00 0.00 173.24 173.54 3k59 h GLU 559 N -1.23 1.22 -0.14 4.02 4.39 -1.98 0.11 114.58 120.97 3k59 h GLU 559 Ca -0.48 -0.17 -0.02 0.00 0.34 0.00 0.00 59.36 59.04 3k59 h GLU 559 Cb 1.33 -0.23 -0.01 0.00 -0.10 0.00 0.00 28.75 29.75 3k59 h GLU 559 CO 0.64 0.92 0.02 1.49 -1.16 0.00 0.00 179.01 180.92 3k59 h GLU 560 N 1.21 0.23 -0.67 2.33 4.81 -1.99 -1.32 114.58 119.18 3k59 h GLU 560 Ca 0.30 -0.06 -0.08 0.00 -0.13 0.00 0.00 59.36 59.39 3k59 h GLU 560 Cb 0.08 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.41 3k59 h GLU 560 CO -0.04 0.41 0.11 1.49 -0.73 0.00 0.00 179.01 180.25 3k59 h GLU 561 N 0.01 1.11 -0.61 1.92 4.57 -1.90 -1.56 114.58 118.13 3k59 h GLU 561 Ca 0.04 -0.30 -0.07 0.00 -1.18 0.00 0.00 59.36 57.86 3k59 h GLU 561 Cb 0.29 -0.13 -0.02 0.00 -0.16 0.00 0.00 28.75 28.73 3k59 h GLU 561 CO 0.00 1.01 0.11 0.00 -1.18 0.00 0.00 179.01 178.95 3k59 h ALA 562 N 1.07 0.81 -0.68 2.92 0.00 -0.90 -2.26 119.26 120.21 3k59 h ALA 562 Ca 0.21 -0.25 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 3k59 h ALA 562 Cb 0.44 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 3k59 h ALA 562 CO 0.01 0.56 0.15 0.00 0.00 0.00 0.00 179.25 179.97 3k59 h ALA 563 N 1.02 0.97 -0.82 0.00 0.00 -1.02 -1.72 119.26 117.70 3k59 h ALA 563 Ca 0.19 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 3k59 h ALA 563 Cb 0.41 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 3k59 h ALA 563 CO 0.01 0.66 0.38 -0.22 0.00 0.00 0.00 179.25 180.08 3k59 h LYS 564 N 1.03 1.19 -0.49 0.00 3.64 -1.03 -1.09 116.57 119.82 3k59 h LYS 564 Ca 0.21 -0.18 -0.11 0.00 -1.27 0.00 0.00 60.65 59.30 3k59 h LYS 564 Cb 0.39 -0.21 -0.02 0.00 -0.41 0.00 0.00 32.23 31.98 3k59 h LYS 564 CO 0.01 0.93 -0.11 0.82 -2.27 0.00 0.00 179.45 178.82 3k59 h ILE 565 N 1.17 1.27 -0.29 2.00 2.04 -1.13 -1.98 117.51 120.58 3k59 h ILE 565 Ca 0.28 -1.25 -0.02 0.00 1.00 0.00 0.00 64.86 64.88 3k59 h ILE 565 Cb 0.14 1.06 -0.01 0.00 -0.74 0.00 0.00 36.82 37.27 3k59 h ILE 565 CO -0.03 0.43 0.12 1.23 0.00 0.00 0.00 178.15 179.90 3k59 h GLY 566 N 0.80 0.47 1.08 5.37 0.00 -0.96 -0.50 103.07 109.32 3k59 h GLY 566 Ca 0.13 -0.25 -0.05 0.00 0.00 0.00 0.00 47.33 47.15 3k59 h GLY 566 CO 0.05 0.24 0.27 3.21 0.00 0.00 0.00 176.54 180.30 3k59 h ARG 567 N 0.33 1.16 -0.54 4.80 3.08 -1.17 -1.78 114.38 120.26 3k59 h ARG 567 Ca 0.10 -0.23 -0.05 0.00 0.07 0.00 0.00 59.98 59.86 3k59 h ARG 567 Cb 0.17 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.02 3k59 h ARG 567 CO -0.01 0.97 0.13 0.00 -1.07 0.00 0.00 179.97 179.99 3k59 h ALA 568 N 1.16 0.71 -0.33 0.04 0.00 -1.16 -1.93 119.26 117.75 3k59 h ALA 568 Ca 0.25 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 3k59 h ALA 568 Cb 0.27 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3k59 h ALA 568 CO -0.01 0.41 0.14 -0.07 0.00 0.00 0.00 179.25 179.72 3k59 h LEU 569 N 0.76 0.44 -0.91 0.00 3.38 -0.71 -1.39 115.31 116.88 3k59 h LEU 569 Ca 0.17 -0.15 -0.09 0.00 0.09 0.00 0.00 57.88 57.90 3k59 h LEU 569 Cb 0.34 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 3k59 h LEU 569 CO 0.00 0.47 -0.14 -0.37 0.09 0.00 0.00 178.44 178.49 3k59 h VAL 570 N 0.38 1.25 -0.51 1.22 -1.51 -1.27 -1.17 116.25 114.65 3k59 h VAL 570 Ca 0.11 -1.14 -0.02 0.00 -1.23 0.00 0.00 66.70 64.41 3k59 h VAL 570 Cb 0.16 1.12 -0.02 0.00 -2.13 0.00 0.00 31.29 30.41 3k59 h VAL 570 CO -0.01 0.38 0.23 -0.61 -1.23 0.00 0.00 177.57 176.33 3k59 h GLN 571 N 0.59 0.75 -0.28 5.19 -0.00 -1.18 0.03 115.11 120.22 3k59 h GLN 571 Ca 0.10 -0.12 -0.00 0.00 -0.00 0.00 0.00 58.65 58.63 3k59 h GLN 571 Cb 0.58 -0.13 -0.01 0.00 0.00 0.00 0.00 27.48 27.91 3k59 h GLN 571 CO 0.04 0.64 0.16 1.25 0.00 0.00 0.00 178.83 180.92 3k59 h HIS 572 N 0.68 0.36 -0.21 3.99 2.76 -0.92 -1.90 115.15 119.91 3k59 h HIS 572 Ca 0.17 -0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 58.32 3k59 h HIS 572 Cb 0.15 -0.12 -0.01 0.00 1.55 0.00 0.00 27.41 28.98 3k59 h HIS 572 CO -0.00 0.28 0.05 0.28 -1.30 0.00 0.00 177.93 177.24 3k59 h VAL 573 N 0.35 1.21 -0.48 5.26 2.07 -0.96 -2.09 116.25 121.60 3k59 h VAL 573 Ca 0.10 -0.67 -0.03 0.00 0.82 0.00 0.00 66.70 66.93 3k59 h VAL 573 Cb 0.02 1.25 -0.02 0.00 -1.52 0.00 0.00 31.29 31.02 3k59 h VAL 573 CO -0.02 0.21 0.19 0.78 0.02 0.00 0.00 177.57 178.75 3k59 h ASN 574 N 0.15 0.62 -0.23 0.57 2.35 -0.93 -1.53 115.58 116.58 3k59 h ASN 574 Ca 0.07 -0.07 -0.14 0.00 -0.55 0.00 0.00 56.30 55.61 3k59 h ASN 574 Cb 0.27 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.47 3k59 h ASN 574 CO 0.00 0.56 -0.35 0.00 -1.65 0.00 0.00 177.43 175.99 3k59 h ALA 575 N 1.53 0.76 -0.58 -0.83 0.00 -1.28 -1.63 119.26 117.25 3k59 h ALA 575 Ca 0.16 -0.43 -0.04 0.00 0.00 0.00 0.00 54.91 54.61 3k59 h ALA 575 Cb 0.14 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 3k59 h ALA 575 CO -0.02 0.65 0.21 2.35 0.00 0.00 0.00 179.25 182.44 3k59 h TRP 576 N 0.63 0.90 -0.56 0.00 7.01 -0.65 0.72 115.95 124.01 3k59 h TRP 576 Ca 0.06 -0.08 -0.07 0.00 2.11 0.00 0.00 58.89 60.91 3k59 h TRP 576 Cb 0.89 -0.26 -0.02 0.00 -2.10 0.00 0.00 29.16 27.66 3k59 h TRP 576 CO 0.05 0.74 0.06 -1.49 -2.79 0.00 0.00 178.44 175.01 3k59 h TRP 577 N 0.80 1.02 -0.36 2.65 4.06 -1.19 0.24 115.95 123.16 3k59 h TRP 577 Ca 0.19 -0.15 -0.00 0.00 2.06 0.00 0.00 58.89 60.98 3k59 h TRP 577 Cb 0.24 -0.27 -0.02 0.00 -1.00 0.00 0.00 29.16 28.11 3k59 h TRP 577 CO 0.01 0.91 0.22 0.00 -3.56 0.00 0.00 178.44 176.02 3k59 h ALA 578 N 0.99 0.46 0.14 1.49 0.00 -0.94 0.08 119.26 121.49 3k59 h ALA 578 Ca 0.17 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 3k59 h ALA 578 Cb 0.46 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.10 3k59 h ALA 578 CO 0.02 -0.04 -0.07 1.49 0.00 0.00 0.00 179.25 180.65 3k59 h GLU 579 N 0.48 -0.19 -0.17 0.00 4.81 -0.61 -1.59 114.58 117.32 3k59 h GLU 579 Ca 0.13 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.37 3k59 h GLU 579 Cb 0.00 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.42 3k59 h GLU 579 CO -0.02 -0.09 0.08 1.15 -0.73 0.00 0.00 179.01 179.40 3k59 h THR 580 N -0.23 1.13 0.00 0.32 2.02 -0.81 -2.91 112.91 112.42 3k59 h THR 580 Ca -0.02 -0.37 -0.10 0.00 0.77 0.00 0.00 66.41 66.69 3k59 h THR 580 Cb 0.18 1.07 -0.01 0.00 -1.74 0.00 0.00 68.15 67.64 3k59 h THR 580 CO 0.03 0.12 -0.47 -0.07 0.37 0.00 0.00 175.52 175.50 3k59 h LEU 581 N 0.14 0.00 -1.37 2.58 3.38 -1.01 -2.69 115.31 116.34 3k59 h LEU 581 Ca 0.06 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.99 3k59 h LEU 581 Cb 0.12 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 3k59 h LEU 581 CO -0.01 0.47 0.03 -0.61 0.09 0.00 0.00 178.44 178.42 3k59 h GLN 582 N 0.00 0.45 0.00 1.13 4.15 -1.13 0.04 115.11 119.76 3k59 h GLN 582 Ca -0.00 -0.08 -0.00 0.00 0.77 0.00 0.00 58.65 59.34 3k59 h GLN 582 Cb 0.84 -0.08 -0.00 0.00 0.21 0.00 0.00 27.48 28.45 3k59 h GLN 582 CO 0.06 0.45 -0.01 0.87 -1.93 0.00 0.00 178.83 178.27 3k59 h LYS 583 N 0.44 0.00 -0.65 1.69 1.57 -1.29 -0.76 116.57 117.57 3k59 h LYS 583 Ca 0.10 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 3k59 h LYS 583 Cb 0.24 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.55 3k59 h LYS 583 CO 0.00 0.01 0.00 1.04 -0.57 0.00 0.00 179.45 179.93 3k59 n GLN 584 N -3.11 2.52 -3.55 3.15 6.02 -0.12 -4.93 117.38 117.35 3k59 n GLN 584 Ca -0.00 -2.36 -0.25 0.00 -0.01 0.00 0.00 57.00 54.38 3k59 n GLN 584 Cb 0.25 -1.51 0.06 0.00 1.02 0.00 0.00 30.24 30.06 3k59 n GLN 584 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 3k59 n ARG 585 N 1.42 -6.67 -4.42 -1.09 1.74 -0.29 -5.01 116.66 102.34 3k59 n ARG 585 Ca 0.22 0.78 -0.23 0.00 -0.77 0.00 0.00 57.85 57.85 3k59 n ARG 585 Cb 0.55 -5.75 -0.10 0.00 -1.02 0.00 0.00 32.46 26.14 3k59 n ARG 585 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3k59 s LEU 586 N -7.16 2.54 -0.22 0.55 1.43 -0.48 -5.02 118.68 110.33 3k59 s LEU 586 Ca 0.55 -0.99 -0.05 0.00 -1.03 0.00 0.00 54.13 52.61 3k59 s LEU 586 Cb -0.25 -0.99 -0.01 0.00 0.03 0.00 0.00 46.19 44.97 3k59 s LEU 586 CO 0.67 -0.00 -0.02 -0.89 0.23 0.00 0.00 176.35 176.35 3k59 s THR 587 N -2.45 3.62 0.04 5.49 2.01 -1.26 -3.35 115.64 119.74 3k59 s THR 587 Ca 0.25 -0.41 -0.30 0.00 0.31 0.00 0.00 61.69 61.54 3k59 s THR 587 Cb -0.05 -2.66 -0.06 0.00 0.01 0.00 0.00 72.50 69.75 3k59 s THR 587 CO 0.12 0.41 1.30 -0.55 -0.69 0.00 0.00 174.62 175.20 3k59 s SER 588 N 1.45 6.95 0.00 3.53 0.15 -1.26 -4.53 113.70 119.99 3k59 s SER 588 Ca 0.05 2.08 0.09 0.00 0.70 0.00 0.00 55.95 58.88 3k59 s SER 588 Cb -0.14 -2.57 0.18 0.00 -1.71 0.00 0.00 66.02 61.77 3k59 s SER 588 CO -0.01 -0.60 1.03 0.00 1.20 0.00 0.00 173.24 174.86 3k59 n ALA 589 N 4.52 2.31 -2.07 5.45 0.00 -1.26 -4.95 120.51 124.50 3k59 n ALA 589 Ca 0.11 -0.87 -0.42 0.00 0.00 0.00 0.00 53.44 52.26 3k59 n ALA 589 Cb 0.45 -0.36 -0.03 0.00 0.00 0.00 0.00 19.45 19.51 3k59 n ALA 589 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3k59 s LEU 590 N -0.91 4.38 -0.33 0.00 1.43 -1.26 -4.86 118.68 117.12 3k59 s LEU 590 Ca 0.16 2.43 -0.01 0.00 -1.03 0.00 0.00 54.13 55.68 3k59 s LEU 590 Cb 0.09 -3.60 0.13 0.00 0.03 0.00 0.00 46.19 42.85 3k59 s LEU 590 CO 0.13 -0.66 0.22 -0.70 0.23 0.00 0.00 176.35 175.56 3k59 s GLU 591 N 0.73 0.44 0.23 1.70 2.12 -1.26 -4.89 118.70 117.75 3k59 s GLU 591 Ca 0.63 -0.93 -0.30 0.00 0.36 0.00 0.00 54.97 54.74 3k59 s GLU 591 Cb -0.39 -1.12 -0.09 0.00 0.26 0.00 0.00 34.13 32.80 3k59 s GLU 591 CO 0.33 -1.14 1.22 -1.17 -0.54 0.00 0.00 175.26 173.97 3k59 s LEU 592 N 1.53 4.46 0.05 2.70 2.96 -1.26 -0.89 118.68 128.23 3k59 s LEU 592 Ca 0.15 2.34 0.07 0.00 -0.22 0.00 0.00 54.13 56.47 3k59 s LEU 592 Cb -0.19 -3.62 -0.03 0.00 0.50 0.00 0.00 46.19 42.85 3k59 s LEU 592 CO -0.13 -0.39 -0.18 -1.61 -1.32 0.00 0.00 176.35 172.72 3k59 s GLU 593 N -0.64 2.02 -0.41 1.98 2.02 -0.15 -4.87 118.70 118.65 3k59 s GLU 593 Ca 0.52 -1.01 -0.22 0.00 0.02 0.00 0.00 54.97 54.27 3k59 s GLU 593 Cb -0.34 -2.18 0.02 0.00 0.10 0.00 0.00 34.13 31.73 3k59 s GLU 593 CO 0.40 0.53 0.73 -0.47 0.02 0.00 0.00 175.26 176.47 3k59 s TYR 594 N -0.97 3.06 -0.22 1.61 5.04 -1.26 -0.94 117.35 123.66 3k59 s TYR 594 Ca 0.15 0.24 -0.17 0.00 -2.44 0.00 0.00 57.07 54.85 3k59 s TYR 594 Cb -0.11 -3.46 -0.13 0.00 0.35 0.00 0.00 41.96 38.61 3k59 s TYR 594 CO 0.06 -0.85 -0.08 0.39 -1.34 0.00 0.00 175.55 173.73 3k59 n GLU 595 N 6.45 0.56 -3.82 4.97 1.02 -0.32 -4.98 120.64 124.52 3k59 n GLU 595 Ca 0.01 0.43 -0.11 0.00 -0.02 0.00 0.00 57.16 57.47 3k59 n GLU 595 Cb 0.48 -1.63 -0.08 0.00 -0.02 0.00 0.00 31.44 30.19 3k59 n GLU 595 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 3k59 s THR 596 N -2.45 0.10 -0.24 2.62 2.01 -1.10 -4.98 115.64 111.60 3k59 s THR 596 Ca -0.31 -0.79 0.01 0.00 0.31 0.00 0.00 61.69 60.92 3k59 s THR 596 Cb 0.08 -0.84 0.06 0.00 0.01 0.00 0.00 72.50 71.81 3k59 s THR 596 CO 0.50 -0.43 -0.08 -2.28 -0.69 0.00 0.00 174.62 171.63 3k59 s HIS 597 N -2.33 2.67 -0.26 4.92 2.46 -1.26 -0.88 115.29 120.61 3k59 s HIS 597 Ca -0.07 -1.92 -0.20 0.00 0.47 0.00 0.00 55.06 53.35 3k59 s HIS 597 Cb -0.02 -1.70 -0.02 0.00 -0.13 0.00 0.00 32.58 30.71 3k59 s HIS 597 CO -0.02 -0.80 0.61 -0.06 -2.47 0.00 0.00 174.74 171.99 3k59 s PHE 598 N 1.30 3.28 0.07 3.88 0.08 0.50 -4.58 117.98 122.52 3k59 s PHE 598 Ca -0.06 0.79 0.22 0.00 0.12 0.00 0.00 56.93 57.99 3k59 s PHE 598 Cb -0.19 -2.82 0.75 0.00 -0.57 0.00 0.00 43.02 40.20 3k59 s PHE 598 CO -0.06 -0.32 1.75 0.00 -0.10 0.00 0.00 175.22 176.50 3k59 s ARG 600 N -3.53 0.30 -0.12 0.00 1.81 -1.14 -3.02 118.95 113.25 3k59 s ARG 600 Ca 0.01 -0.30 -0.11 0.00 -1.72 0.00 0.00 55.73 53.61 3k59 s ARG 600 Cb 0.10 -0.19 0.03 0.00 -0.45 0.00 0.00 34.95 34.44 3k59 s ARG 600 CO 0.66 0.04 0.32 0.12 -0.68 0.00 0.00 175.30 175.76 3k59 s PHE 601 N -0.52 -0.36 -0.17 -0.53 5.36 -0.58 -0.60 117.98 120.58 3k59 s PHE 601 Ca -0.04 0.87 0.01 0.00 -0.96 0.00 0.00 56.93 56.81 3k59 s PHE 601 Cb -0.04 0.12 0.02 0.00 -0.34 0.00 0.00 43.02 42.78 3k59 s PHE 601 CO -0.00 -0.18 -0.17 -1.17 -1.46 0.00 0.00 175.22 172.24 3k59 s LEU 602 N 0.28 1.94 -0.35 6.12 2.96 0.10 -0.16 118.68 129.57 3k59 s LEU 602 Ca -0.01 -0.59 -0.05 0.00 -0.22 0.00 0.00 54.13 53.26 3k59 s LEU 602 Cb -0.03 -1.33 0.06 0.00 0.50 0.00 0.00 46.19 45.39 3k59 s LEU 602 CO -0.01 -0.03 0.12 -0.32 -1.32 0.00 0.00 176.35 174.79 3k59 s MET 603 N 1.38 2.46 0.83 1.98 -2.45 -0.08 -2.36 119.30 121.06 3k59 s MET 603 Ca 0.05 -1.36 -0.12 0.00 -1.25 0.00 0.00 55.69 53.01 3k59 s MET 603 Cb -0.13 -3.46 0.09 0.00 1.25 0.00 0.00 34.83 32.58 3k59 s MET 603 CO -0.12 -0.77 1.13 -1.25 1.05 0.00 0.00 175.02 175.06 3k59 s PRO 604 N 1.32 1.84 0.41 4.11 0.04 -1.26 -0.54 135.00 140.93 3k59 s PRO 604 Ca -0.00 0.40 0.05 0.00 0.04 0.00 0.00 61.00 61.48 3k59 s PRO 604 Cb -0.21 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.43 3k59 s PRO 604 CO 0.00 -1.74 0.58 0.95 0.04 0.00 0.00 177.00 176.84 3k59 s THR 605 N -3.30 3.62 0.70 1.26 -4.23 -1.26 -0.78 115.64 111.64 3k59 s THR 605 Ca 0.62 -0.84 -0.12 0.00 -1.18 0.00 0.00 61.69 60.16 3k59 s THR 605 Cb -0.13 -3.27 0.01 0.00 1.34 0.00 0.00 72.50 70.44 3k59 s THR 605 CO 0.53 -0.14 1.07 0.27 -0.54 0.00 0.00 174.62 175.81 3k59 s ILE 606 N -2.38 3.71 0.15 2.99 -4.36 -0.30 -4.48 121.20 116.54 3k59 s ILE 606 Ca 0.50 0.62 -0.31 0.00 -0.26 0.00 0.00 60.65 61.20 3k59 s ILE 606 Cb -0.10 -3.23 -0.09 0.00 1.25 0.00 0.00 42.46 40.29 3k59 s ILE 606 CO 0.34 -0.66 1.47 -0.60 0.24 0.00 0.00 174.94 175.72 3k59 s ARG 607 N -4.74 4.27 0.00 0.37 3.52 -1.26 -2.86 118.95 118.25 3k59 s ARG 607 Ca 0.61 2.22 0.00 0.00 -0.13 0.00 0.00 55.73 58.42 3k59 s ARG 607 Cb -0.16 -3.19 0.00 0.00 -1.56 0.00 0.00 34.95 30.04 3k59 s ARG 607 CO 0.51 -0.50 0.00 0.41 -0.81 0.00 0.00 175.30 174.90 3k59 n GLY 608 N 3.47 0.81 3.25 8.12 0.00 -1.26 -5.02 105.19 114.56 3k59 n GLY 608 Ca 0.12 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.01 3k59 n GLY 608 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k59 s ALA 609 N -3.15 1.09 -1.00 4.61 0.00 -1.14 -5.04 121.76 117.13 3k59 s ALA 609 Ca 0.00 -1.65 0.24 0.00 0.00 0.00 0.00 51.96 50.55 3k59 s ALA 609 Cb 0.00 1.36 0.31 0.00 0.00 0.00 0.00 23.12 24.79 3k59 s ALA 609 CO 0.00 -0.63 1.28 -0.25 0.00 0.00 0.00 175.76 176.16 3k59 n ASP 610 N -0.44 0.64 -4.77 0.00 8.00 -1.26 -4.29 116.55 114.43 3k59 n ASP 610 Ca 0.02 -0.45 -0.41 0.00 0.71 0.00 0.00 54.79 54.66 3k59 n ASP 610 Cb 0.65 0.45 -0.01 0.00 -0.02 0.00 0.00 41.12 42.19 3k59 n ASP 610 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3k59 s THR 611 N -3.00 2.42 0.45 -3.53 2.01 -1.26 -4.86 115.64 107.86 3k59 s THR 611 Ca 0.10 0.40 -0.24 0.00 0.31 0.00 0.00 61.69 62.26 3k59 s THR 611 Cb 0.17 -3.25 -0.08 0.00 0.01 0.00 0.00 72.50 69.35 3k59 s THR 611 CO 0.75 0.09 1.24 -0.83 -0.69 0.00 0.00 174.62 175.17 3k59 s GLY 612 N -0.14 2.86 0.63 4.40 0.00 -1.26 -1.15 107.32 112.66 3k59 s GLY 612 Ca 0.53 1.10 -0.07 0.00 0.00 0.00 0.00 44.72 46.28 3k59 s GLY 612 CO 0.55 1.62 0.95 -0.45 0.00 0.00 0.00 173.10 175.76 3k59 s SER 613 N -1.06 5.42 0.12 1.64 0.15 0.04 -4.52 113.70 115.49 3k59 s SER 613 Ca 0.62 0.72 0.08 0.00 0.70 0.00 0.00 55.95 58.07 3k59 s SER 613 Cb -0.34 -1.62 -0.04 0.00 -1.71 0.00 0.00 66.02 62.32 3k59 s SER 613 CO 0.42 -1.21 -0.19 -0.54 1.20 0.00 0.00 173.24 172.93 3k59 s LYS 614 N -5.09 1.12 -2.01 5.44 1.02 -1.26 -4.43 119.74 114.52 3k59 s LYS 614 Ca 0.56 -1.22 0.00 0.00 0.02 0.00 0.00 55.97 55.33 3k59 s LYS 614 Cb -0.11 -1.26 0.00 0.00 -0.52 0.00 0.00 37.83 35.94 3k59 s LYS 614 CO 0.46 0.28 0.00 1.63 -0.92 0.00 0.00 175.35 176.80 3k59 n LYS 615 N 0.83 -1.44 -3.64 1.68 5.02 -1.26 -4.95 118.16 114.39 3k59 n LYS 615 Ca -0.18 1.12 -0.19 0.00 -2.02 0.00 0.00 58.31 57.05 3k59 n LYS 615 Cb 0.55 -5.49 -0.16 0.00 -0.02 0.00 0.00 35.03 29.90 3k59 n LYS 615 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3k59 s ARG 616 N -3.72 0.02 0.12 1.97 0.52 -1.26 -3.80 118.95 112.80 3k59 s ARG 616 Ca 0.00 0.41 -0.26 0.00 -0.52 0.00 0.00 55.73 55.36 3k59 s ARG 616 Cb 0.00 -0.60 0.07 0.00 0.52 0.00 0.00 34.95 34.94 3k59 s ARG 616 CO 0.00 -0.39 0.96 1.52 0.02 0.00 0.00 175.30 177.41 3k59 s TYR 617 N 2.25 -0.17 0.05 -0.53 -0.85 -0.36 -4.33 117.35 113.41 3k59 s TYR 617 Ca 0.04 -0.10 -0.09 0.00 -0.52 0.00 0.00 57.07 56.40 3k59 s TYR 617 Cb -0.13 0.62 0.00 0.00 0.38 0.00 0.00 41.96 42.83 3k59 s TYR 617 CO -0.06 -0.75 0.20 0.00 -1.52 0.00 0.00 175.55 173.42 3k59 s ALA 618 N -3.22 -0.34 0.24 9.51 0.00 -0.99 -0.71 121.76 126.24 3k59 s ALA 618 Ca 0.11 -0.35 -0.21 0.00 0.00 0.00 0.00 51.96 51.50 3k59 s ALA 618 Cb -0.01 0.34 0.03 0.00 0.00 0.00 0.00 23.12 23.48 3k59 s ALA 618 CO -0.00 -0.40 0.66 0.20 0.00 0.00 0.00 175.76 176.22 3k59 s GLY 619 N -2.29 -0.22 -0.11 0.00 0.00 -0.33 0.01 107.32 104.39 3k59 s GLY 619 Ca -0.02 -0.09 0.02 0.00 0.00 0.00 0.00 44.72 44.62 3k59 s GLY 619 CO -0.06 -0.05 -0.17 -2.27 0.00 0.00 0.00 173.10 170.55 3k59 s LEU 620 N -2.87 2.51 -0.11 0.66 2.96 0.23 -0.67 118.68 121.38 3k59 s LEU 620 Ca 0.08 -0.39 0.01 0.00 -0.22 0.00 0.00 54.13 53.62 3k59 s LEU 620 Cb -0.04 -1.54 -0.01 0.00 0.50 0.00 0.00 46.19 45.10 3k59 s LEU 620 CO 0.01 0.19 -0.16 -0.63 -1.32 0.00 0.00 176.35 174.43 3k59 s ILE 621 N 0.20 2.81 -0.34 6.68 1.01 0.63 -0.31 121.20 131.88 3k59 s ILE 621 Ca -0.10 -0.76 -0.15 0.00 0.00 0.00 0.00 60.65 59.64 3k59 s ILE 621 Cb -0.16 -2.15 -0.02 0.00 0.01 0.00 0.00 42.46 40.15 3k59 s ILE 621 CO 0.06 0.54 0.33 -1.58 0.00 0.00 0.00 174.94 174.29 3k59 s GLN 622 N 0.22 3.58 -0.35 2.79 2.00 -1.26 -0.66 119.66 125.98 3k59 s GLN 622 Ca -0.10 -0.44 0.02 0.00 -2.00 0.00 0.00 55.36 52.84 3k59 s GLN 622 Cb -0.16 -3.79 0.10 0.00 0.80 0.00 0.00 33.01 29.96 3k59 s GLN 622 CO 0.06 -0.49 0.08 -1.21 -0.50 0.00 0.00 175.29 173.23 3k59 s GLU 623 N 1.95 1.63 7.82 1.67 2.02 0.15 -5.00 118.70 128.95 3k59 s GLU 623 Ca 0.11 -1.84 0.00 0.00 0.02 0.00 0.00 54.97 53.26 3k59 s GLU 623 Cb -0.17 -3.28 0.00 0.00 0.10 0.00 0.00 34.13 30.78 3k59 s GLU 623 CO 0.11 -0.95 0.00 0.41 0.02 0.00 0.00 175.26 174.85 3k59 n GLY 624 N 4.34 3.52 0.14 -1.39 0.00 -1.26 -1.25 105.19 109.29 3k59 n GLY 624 Ca 0.02 -0.08 0.12 0.00 0.00 0.00 0.00 46.02 46.07 3k59 n GLY 624 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3k59 n ASP 625 N 7.08 1.01 -4.93 1.61 8.00 -1.26 -4.91 116.55 123.16 3k59 n ASP 625 Ca 0.00 -0.81 -0.27 0.00 0.71 0.00 0.00 54.79 54.42 3k59 n ASP 625 Cb 0.00 0.45 -0.03 0.00 -0.02 0.00 0.00 41.12 41.52 3k59 n ASP 625 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3k59 s LYS 626 N -2.79 3.54 0.08 -1.24 -0.14 -0.38 -5.11 119.74 113.70 3k59 s LYS 626 Ca 0.15 -0.27 0.08 0.00 -1.36 0.00 0.00 55.97 54.56 3k59 s LYS 626 Cb 0.18 -2.76 -0.03 0.00 -1.68 0.00 0.00 37.83 33.53 3k59 s LYS 626 CO 0.68 0.31 -0.21 -0.65 -0.76 0.00 0.00 175.35 174.72 3k59 s GLN 627 N -3.58 1.23 -0.05 1.68 -0.21 -1.26 0.34 119.66 117.82 3k59 s GLN 627 Ca 0.40 -1.08 -0.08 0.00 0.02 0.00 0.00 55.36 54.62 3k59 s GLN 627 Cb -0.11 -1.44 0.01 0.00 1.00 0.00 0.00 33.01 32.48 3k59 s GLN 627 CO 0.30 0.35 0.20 -0.98 -2.12 0.00 0.00 175.29 173.04 3k59 s ARG 628 N -1.63 0.35 0.05 2.91 1.70 0.17 -4.95 118.95 117.56 3k59 s ARG 628 Ca 0.07 0.04 -0.08 0.00 -0.47 0.00 0.00 55.73 55.29 3k59 s ARG 628 Cb -0.10 0.16 -0.05 0.00 -0.57 0.00 0.00 34.95 34.39 3k59 s ARG 628 CO 0.03 -0.07 0.35 -1.64 -1.08 0.00 0.00 175.30 172.89 3k59 s MET 629 N -0.46 3.68 -0.08 3.89 -1.94 -1.26 -0.27 119.30 122.86 3k59 s MET 629 Ca -0.06 0.06 0.04 0.00 -1.71 0.00 0.00 55.69 54.02 3k59 s MET 629 Cb -0.04 -3.02 0.00 0.00 2.01 0.00 0.00 34.83 33.78 3k59 s MET 629 CO 0.01 0.59 -0.21 0.08 -0.01 0.00 0.00 175.02 175.48 3k59 s VAL 630 N -1.37 1.79 -0.07 -6.03 1.01 0.15 -4.98 120.40 110.89 3k59 s VAL 630 Ca 0.31 -0.88 0.04 0.00 0.00 0.00 0.00 61.98 61.45 3k59 s VAL 630 Cb -0.14 -1.55 0.00 0.00 0.00 0.00 0.00 36.38 34.70 3k59 s VAL 630 CO 0.18 0.50 -0.18 -0.36 0.00 0.00 0.00 175.10 175.24 3k59 s PHE 631 N 0.26 1.95 -0.11 5.22 0.08 -1.26 -1.18 117.98 122.94 3k59 s PHE 631 Ca -0.13 -0.70 0.02 0.00 0.12 0.00 0.00 56.93 56.24 3k59 s PHE 631 Cb -0.16 -1.34 0.01 0.00 -0.57 0.00 0.00 43.02 40.97 3k59 s PHE 631 CO 0.06 -0.29 -0.16 0.15 -0.10 0.00 0.00 175.22 174.88 3k59 s LYS 632 N 0.34 2.29 0.00 0.44 -0.14 0.11 -4.83 119.74 117.95 3k59 s LYS 632 Ca -0.12 -0.59 0.00 0.00 -1.36 0.00 0.00 55.97 53.90 3k59 s LYS 632 Cb -0.15 -1.91 0.00 0.00 -1.68 0.00 0.00 37.83 34.08 3k59 s LYS 632 CO 0.05 -0.04 0.00 0.41 -0.76 0.00 0.00 175.35 175.01 3k59 n GLY 633 N 4.12 1.76 3.66 -3.33 0.00 -1.25 -1.23 105.19 108.93 3k59 n GLY 633 Ca -0.19 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.53 3k59 n GLY 633 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3k59 s LEU 634 N 0.00 1.88 0.42 0.99 1.43 -1.26 -4.80 118.68 117.34 3k59 s LEU 634 Ca 0.00 1.48 0.20 0.00 -1.03 0.00 0.00 54.13 54.78 3k59 s LEU 634 Cb 0.00 -3.74 1.15 0.00 0.03 0.00 0.00 46.19 43.63 3k59 s LEU 634 CO 0.00 -3.09 1.79 -0.33 0.23 0.00 0.00 176.35 174.95 3k59 h GLU 635 N -1.86 0.34 -0.06 1.70 3.07 -1.93 -0.04 114.58 115.79 3k59 h GLU 635 Ca -0.52 -0.02 0.01 0.00 -0.50 0.00 0.00 59.36 58.33 3k59 h GLU 635 Cb 1.30 -0.08 -0.00 0.00 -0.84 0.00 0.00 28.75 29.13 3k59 h GLU 635 CO 0.53 0.23 0.04 1.15 -1.40 0.00 0.00 179.01 179.57 3k59 h THR 636 N 0.35 0.98 -0.42 1.13 2.02 -1.88 -2.30 112.91 112.79 3k59 h THR 636 Ca 0.56 -0.01 -0.16 0.00 0.77 0.00 0.00 66.41 67.58 3k59 h THR 636 Cb 1.52 0.96 -0.09 0.00 -1.74 0.00 0.00 68.15 68.79 3k59 h THR 636 CO -0.24 0.00 0.05 1.33 0.37 0.00 0.00 175.52 177.03 3k59 n VAL 637 N -4.52 2.56 -4.17 3.16 0.24 -0.03 -4.92 118.33 110.65 3k59 n VAL 637 Ca -0.02 -2.30 -0.34 0.00 -2.04 0.00 0.00 64.34 59.65 3k59 n VAL 637 Cb 0.14 -0.32 -0.15 0.00 -1.47 0.00 0.00 33.84 32.04 3k59 n VAL 637 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 3k59 s ARG 638 N -3.10 3.24 0.20 7.34 0.52 -0.87 -4.87 118.95 121.42 3k59 s ARG 638 Ca 0.46 -0.71 0.18 0.00 -0.52 0.00 0.00 55.73 55.14 3k59 s ARG 638 Cb 0.40 -2.78 0.85 0.00 0.52 0.00 0.00 34.95 33.93 3k59 s ARG 638 CO 0.05 -0.12 1.56 0.25 0.02 0.00 0.00 175.30 177.06 3k59 n THR 639 N 4.48 1.07 0.16 0.02 -2.24 -1.26 -2.65 114.28 113.86 3k59 n THR 639 Ca -0.19 0.42 0.08 0.00 -2.27 0.00 0.00 64.05 62.09 3k59 n THR 639 Cb 0.51 -1.35 0.25 0.00 -2.10 0.00 0.00 70.33 67.64 3k59 n THR 639 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3k59 n ASP 640 N -2.02 3.17 -4.73 3.42 5.75 -1.26 -4.46 116.55 116.42 3k59 n ASP 640 Ca 0.01 -2.11 -0.25 0.00 -0.01 0.00 0.00 54.79 52.43 3k59 n ASP 640 Cb 0.13 -0.41 -0.06 0.00 -1.03 0.00 0.00 41.12 39.75 3k59 n ASP 640 CO 0.00 0.00 0.00 0.26 -0.11 0.00 0.00 177.20 177.35 3k59 s TRP 641 N -1.44 2.97 0.54 2.11 0.52 -1.08 -4.73 118.94 117.83 3k59 s TRP 641 Ca 0.37 -0.11 -0.18 0.00 0.02 0.00 0.00 56.10 56.21 3k59 s TRP 641 Cb 0.21 -1.40 -0.06 0.00 -1.15 0.00 0.00 33.47 31.07 3k59 s TRP 641 CO 0.23 0.53 1.04 0.95 0.02 0.00 0.00 176.95 179.72 3k59 s THR 642 N -1.89 3.89 0.48 2.01 -4.23 -1.26 -4.81 115.64 109.83 3k59 s THR 642 Ca 0.30 1.00 0.14 0.00 -1.18 0.00 0.00 61.69 61.95 3k59 s THR 642 Cb -0.09 -3.45 0.28 0.00 1.34 0.00 0.00 72.50 70.59 3k59 s THR 642 CO 0.21 -0.42 2.10 -0.65 -0.54 0.00 0.00 174.62 175.32 3k59 h PRO 643 N 0.94 0.19 -0.16 3.99 0.11 -1.76 -1.18 132.00 134.14 3k59 h PRO 643 Ca -0.48 -0.01 0.03 0.00 0.11 0.00 0.00 66.00 65.65 3k59 h PRO 643 Cb 1.22 -0.04 -0.03 0.00 0.11 0.00 0.00 31.00 32.25 3k59 h PRO 643 CO 0.59 0.13 -0.05 1.25 -0.21 0.00 0.00 178.00 179.71 3k59 h LEU 644 N 0.20 -0.17 -0.42 2.35 5.85 -1.70 0.68 115.31 122.10 3k59 h LEU 644 Ca 0.08 0.05 -0.09 0.00 0.84 0.00 0.00 57.88 58.76 3k59 h LEU 644 Cb 0.09 0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.21 3k59 h LEU 644 CO -0.02 -0.06 -0.09 0.00 -0.34 0.00 0.00 178.44 177.93 3k59 h ALA 645 N 1.14 0.58 -0.35 1.25 0.00 -1.58 -2.18 119.26 118.12 3k59 h ALA 645 Ca 0.08 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 3k59 h ALA 645 Cb 0.13 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 3k59 h ALA 645 CO -0.17 0.45 0.13 1.96 0.00 0.00 0.00 179.25 181.62 3k59 h GLN 646 N 0.63 0.52 -0.41 0.00 4.20 -0.98 -0.31 115.11 118.76 3k59 h GLN 646 Ca 0.11 -0.10 -0.07 0.00 0.06 0.00 0.00 58.65 58.65 3k59 h GLN 646 Cb 0.62 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.30 3k59 h GLN 646 CO 0.04 0.52 -0.02 0.37 -0.67 0.00 0.00 178.83 179.07 3k59 h GLN 647 N 0.41 0.74 -0.52 1.46 4.15 -0.90 -2.24 115.11 118.23 3k59 h GLN 647 Ca 0.12 -0.25 0.01 0.00 0.77 0.00 0.00 58.65 59.30 3k59 h GLN 647 Cb 0.20 -0.06 -0.03 0.00 0.21 0.00 0.00 27.48 27.80 3k59 h GLN 647 CO -0.01 0.83 0.33 0.35 -1.93 0.00 0.00 178.83 178.40 3k59 h PHE 648 N 0.57 0.62 -0.22 3.99 3.57 -1.26 -1.30 116.94 122.91 3k59 h PHE 648 Ca 0.12 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.62 3k59 h PHE 648 Cb 0.51 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 39.03 3k59 h PHE 648 CO 0.04 0.37 0.11 0.37 -2.23 0.00 0.00 178.31 176.98 3k59 h GLN 649 N 0.66 0.32 -0.40 1.11 4.15 -0.93 -0.47 115.11 119.54 3k59 h GLN 649 Ca 0.20 -0.04 -0.02 0.00 0.77 0.00 0.00 58.65 59.56 3k59 h GLN 649 Cb -0.04 -0.06 -0.02 0.00 0.21 0.00 0.00 27.48 27.58 3k59 h GLN 649 CO -0.06 0.31 0.19 1.96 -1.93 0.00 0.00 178.83 179.30 3k59 h GLN 650 N 0.24 0.59 -0.41 1.69 4.20 -1.16 -0.43 115.11 119.82 3k59 h GLN 650 Ca 0.08 -0.09 -0.14 0.00 0.06 0.00 0.00 58.65 58.56 3k59 h GLN 650 Cb 0.10 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.76 3k59 h GLN 650 CO -0.01 0.52 -0.30 0.93 -0.67 0.00 0.00 178.83 179.29 3k59 h GLU 651 N 0.51 0.90 -0.16 1.46 5.08 -1.19 -1.16 114.58 120.02 3k59 h GLU 651 Ca 0.14 -0.42 -0.04 0.00 -1.00 0.00 0.00 59.36 58.04 3k59 h GLU 651 Cb 0.13 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.36 3k59 h GLU 651 CO -0.02 1.08 -0.04 1.25 -1.00 0.00 0.00 179.01 180.28 3k59 h LEU 652 N 0.76 0.31 -0.77 1.33 5.85 -0.98 -2.24 115.31 119.56 3k59 h LEU 652 Ca 0.08 -0.37 -0.05 0.00 0.84 0.00 0.00 57.88 58.39 3k59 h LEU 652 Cb 0.87 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.79 3k59 h LEU 652 CO 0.08 0.61 0.30 1.88 -0.34 0.00 0.00 178.44 180.97 3k59 h TYR 653 N 0.00 1.18 -0.49 1.25 0.99 -1.08 -1.26 116.97 117.56 3k59 h TYR 653 Ca 0.04 -0.09 -0.00 0.00 2.00 0.00 0.00 58.73 60.68 3k59 h TYR 653 Cb 0.47 -0.35 -0.02 0.00 1.00 0.00 0.00 36.73 37.83 3k59 h TYR 653 CO 0.05 0.90 0.29 1.25 -0.00 0.00 0.00 178.16 180.65 3k59 h LEU 654 N 1.12 0.59 -0.10 3.88 5.85 -1.15 0.38 115.31 125.88 3k59 h LEU 654 Ca 0.26 -0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.91 3k59 h LEU 654 Cb 0.22 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 41.10 3k59 h LEU 654 CO -0.02 0.47 0.04 0.03 -0.34 0.00 0.00 178.44 178.63 3k59 h ARG 655 N 0.65 0.15 -0.77 1.25 3.08 -1.13 -0.44 114.38 117.16 3k59 h ARG 655 Ca 0.18 -0.03 -0.04 0.00 0.07 0.00 0.00 59.98 60.16 3k59 h ARG 655 Cb -0.00 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 29.99 3k59 h ARG 655 CO -0.03 0.25 0.32 0.82 -1.07 0.00 0.00 179.97 180.26 3k59 h ILE 656 N 0.02 1.26 -0.27 2.04 2.04 -1.00 0.21 117.51 121.79 3k59 h ILE 656 Ca 0.03 -0.78 -0.03 0.00 1.00 0.00 0.00 64.86 65.08 3k59 h ILE 656 Cb 0.15 0.33 -0.01 0.00 -0.74 0.00 0.00 36.82 36.54 3k59 h ILE 656 CO -0.00 0.32 0.05 -0.26 0.00 0.00 0.00 178.15 178.26 3k59 h PHE 657 N 1.11 0.39 -0.30 1.37 0.04 -0.04 -1.61 116.94 117.91 3k59 h PHE 657 Ca 0.26 -0.02 0.00 0.00 2.80 0.00 0.00 57.97 61.01 3k59 h PHE 657 Cb 0.19 -0.12 0.00 0.00 2.20 0.00 0.00 35.95 38.22 3k59 h PHE 657 CO 0.02 0.36 0.00 0.54 -0.60 0.00 0.00 178.31 178.63 3k59 n ARG 658 N -4.37 1.90 -2.00 1.51 1.74 -0.19 -4.91 116.66 110.34 3k59 n ARG 658 Ca 0.01 -1.37 -0.19 0.00 -0.77 0.00 0.00 57.85 55.53 3k59 n ARG 658 Cb 0.17 -1.37 -0.04 0.00 -1.02 0.00 0.00 32.46 30.20 3k59 n ARG 658 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3k59 n ASN 659 N 0.60 -5.43 -4.93 0.55 3.02 -0.47 -5.00 115.26 103.60 3k59 n ASN 659 Ca 0.15 0.21 -0.25 0.00 -0.03 0.00 0.00 54.58 54.65 3k59 n ASN 659 Cb 0.36 -4.54 0.02 0.00 -0.61 0.00 0.00 39.78 35.01 3k59 n ASN 659 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 3k59 s GLU 660 N -4.35 3.04 0.50 3.52 2.02 0.60 -5.00 118.70 119.03 3k59 s GLU 660 Ca 0.00 -0.14 -0.22 0.00 0.02 0.00 0.00 54.97 54.63 3k59 s GLU 660 Cb 0.00 -2.38 -0.06 0.00 0.10 0.00 0.00 34.13 31.79 3k59 s GLU 660 CO 0.00 -0.50 1.23 -2.14 0.02 0.00 0.00 175.26 173.86 3k59 s PRO 661 N -4.82 3.47 0.00 0.39 0.02 -1.26 -4.47 135.00 128.33 3k59 s PRO 661 Ca 0.51 1.92 0.00 0.00 0.02 0.00 0.00 61.00 63.45 3k59 s PRO 661 Cb -0.10 -2.30 0.00 0.00 0.02 0.00 0.00 34.50 32.12 3k59 s PRO 661 CO 0.43 -0.83 0.00 2.48 -0.33 0.00 0.00 177.00 178.75 3k59 n TYR 662 N -0.80 0.00 0.01 6.54 0.18 -1.26 -4.88 117.16 116.95 3k59 n TYR 662 Ca 0.09 0.00 -0.10 0.00 1.88 0.00 0.00 57.90 59.77 3k59 n TYR 662 Cb 0.47 0.00 -0.05 0.00 -0.38 0.00 0.00 39.34 39.39 3k59 n TYR 662 CO 0.00 0.00 0.00 1.96 -2.08 0.00 0.00 176.86 176.74 3k59 h GLN 663 N 0.00 -0.04 -0.67 -3.48 4.20 -2.00 -1.04 115.11 112.08 3k59 h GLN 663 Ca 0.00 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.69 3k59 h GLN 663 Cb 0.00 0.01 -0.03 0.00 0.30 0.00 0.00 27.48 27.76 3k59 h GLN 663 CO 0.00 -0.03 0.34 1.49 -0.67 0.00 0.00 178.83 179.96 3k59 h GLU 664 N -0.05 0.93 -0.82 1.46 4.57 -1.99 -0.51 114.58 118.17 3k59 h GLU 664 Ca 0.05 -0.11 -0.03 0.00 -1.18 0.00 0.00 59.36 58.10 3k59 h GLU 664 Cb 0.12 -0.18 -0.04 0.00 -0.16 0.00 0.00 28.75 28.49 3k59 h GLU 664 CO -0.12 0.70 0.41 -0.92 -1.18 0.00 0.00 179.01 177.91 3k59 h TYR 665 N 0.94 1.16 -0.11 0.92 3.20 -1.77 0.98 116.97 122.29 3k59 h TYR 665 Ca 0.23 -0.05 -0.02 0.00 3.14 0.00 0.00 58.73 62.04 3k59 h TYR 665 Cb 0.06 -0.36 -0.00 0.00 1.54 0.00 0.00 36.73 37.96 3k59 h TYR 665 CO 0.01 0.83 -0.01 0.28 -1.64 0.00 0.00 178.16 177.63 3k59 h VAL 666 N 1.15 1.26 -0.83 1.81 2.07 -0.39 -1.50 116.25 119.83 3k59 h VAL 666 Ca 0.28 -0.85 -0.00 0.00 0.82 0.00 0.00 66.70 66.95 3k59 h VAL 666 Cb 0.09 1.61 -0.04 0.00 -1.52 0.00 0.00 31.29 31.42 3k59 h VAL 666 CO -0.04 0.24 0.51 0.03 0.02 0.00 0.00 177.57 178.34 3k59 h ARG 667 N -0.08 1.11 -0.43 1.57 3.08 -0.88 -1.24 114.38 117.52 3k59 h ARG 667 Ca 0.03 -0.09 -0.08 0.00 0.07 0.00 0.00 59.98 59.91 3k59 h ARG 667 Cb 0.38 -0.24 -0.02 0.00 0.08 0.00 0.00 29.97 30.17 3k59 h ARG 667 CO 0.01 0.77 -0.08 1.49 -1.07 0.00 0.00 179.97 181.08 3k59 h GLU 668 N 1.13 0.75 -0.16 0.04 4.57 -0.77 -0.41 114.58 119.73 3k59 h GLU 668 Ca 0.30 -0.23 -0.02 0.00 -1.18 0.00 0.00 59.36 58.22 3k59 h GLU 668 Cb -0.07 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 28.44 3k59 h GLU 668 CO -0.06 0.81 0.00 1.15 -1.18 0.00 0.00 179.01 179.74 3k59 h THR 669 N 0.68 1.25 -0.39 0.32 2.02 -0.73 -0.72 112.91 115.35 3k59 h THR 669 Ca 0.12 -0.82 0.00 0.00 0.77 0.00 0.00 66.41 66.49 3k59 h THR 669 Cb 0.54 1.48 -0.02 0.00 -1.74 0.00 0.00 68.15 68.41 3k59 h THR 669 CO 0.03 0.24 0.25 0.40 0.37 0.00 0.00 175.52 176.82 3k59 h ILE 670 N 0.02 1.10 -0.38 3.11 2.04 -1.06 -1.12 117.51 121.24 3k59 h ILE 670 Ca 0.04 -0.20 -0.00 0.00 1.00 0.00 0.00 64.86 65.71 3k59 h ILE 670 Cb 0.36 0.55 -0.02 0.00 -0.74 0.00 0.00 36.82 36.97 3k59 h ILE 670 CO 0.01 0.10 0.23 -0.78 0.00 0.00 0.00 178.15 177.71 3k59 h ASP 671 N 0.52 0.45 -0.77 1.72 3.58 -0.97 -0.91 116.42 120.04 3k59 h ASP 671 Ca 0.14 -0.05 -0.04 0.00 0.42 0.00 0.00 57.03 57.50 3k59 h ASP 671 Cb -0.05 -0.11 -0.03 0.00 1.72 0.00 0.00 39.33 40.85 3k59 h ASP 671 CO -0.03 0.37 0.31 0.11 -2.88 0.00 0.00 179.24 177.11 3k59 h LYS 672 N 0.50 1.15 -0.23 0.28 1.57 -0.94 -1.17 116.57 117.73 3k59 h LYS 672 Ca 0.14 -0.21 -0.01 0.00 -1.87 0.00 0.00 60.65 58.70 3k59 h LYS 672 Cb -0.00 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.11 3k59 h LYS 672 CO -0.03 0.93 0.12 1.25 -0.57 0.00 0.00 179.45 181.16 3k59 h LEU 673 N 1.11 0.29 -0.88 2.94 5.85 -0.86 -1.14 115.31 122.62 3k59 h LEU 673 Ca 0.26 -0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.88 3k59 h LEU 673 Cb 0.22 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.17 3k59 h LEU 673 CO -0.02 0.31 0.00 0.24 -0.34 0.00 0.00 178.44 178.63 3k59 h MET 674 N 0.25 0.00 -0.46 1.25 2.86 -0.93 -2.17 114.93 115.73 3k59 h MET 674 Ca 0.08 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.72 3k59 h MET 674 Cb 0.09 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.75 3k59 h MET 674 CO -0.01 0.00 0.00 0.00 1.06 0.00 0.00 176.91 177.96 3k59 n ALA 675 N -1.91 2.43 -2.41 6.32 0.00 -0.46 -4.94 120.51 119.55 3k59 n ALA 675 Ca 0.02 -0.88 -0.14 0.00 0.00 0.00 0.00 53.44 52.44 3k59 n ALA 675 Cb 0.29 -0.97 0.00 0.00 0.00 0.00 0.00 19.45 18.78 3k59 n ALA 675 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3k59 n GLY 676 N 1.34 -0.18 0.22 0.00 0.00 -0.82 -4.92 105.19 100.84 3k59 n GLY 676 Ca 0.18 -0.27 0.11 0.00 0.00 0.00 0.00 46.02 46.04 3k59 n GLY 676 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3k59 n GLU 677 N -2.51 0.55 -0.56 1.61 1.02 -0.46 -4.39 120.64 115.90 3k59 n GLU 677 Ca -0.14 -0.45 0.03 0.00 -0.02 0.00 0.00 57.16 56.59 3k59 n GLU 677 Cb 0.61 -1.49 0.20 0.00 -0.02 0.00 0.00 31.44 30.74 3k59 n GLU 677 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3k59 n LEU 678 N -0.83 3.28 -0.16 -4.62 4.77 -1.25 -4.81 117.00 113.38 3k59 n LEU 678 Ca 0.06 -3.61 0.15 0.00 -0.03 0.00 0.00 56.01 52.58 3k59 n LEU 678 Cb 0.39 -0.55 0.50 0.00 -2.33 0.00 0.00 43.42 41.43 3k59 n LEU 678 CO 0.36 1.14 1.21 0.44 -1.33 0.00 0.00 177.39 179.21 3k59 h ASP 679 N 0.91 0.40 0.26 -1.43 5.19 -1.92 -1.67 116.42 118.16 3k59 h ASP 679 Ca 0.08 0.02 0.00 0.00 -0.62 0.00 0.00 57.03 56.51 3k59 h ASP 679 Cb 1.28 -0.06 0.00 0.00 0.18 0.00 0.00 39.33 40.74 3k59 h ASP 679 CO 0.16 0.21 0.00 0.00 -3.12 0.00 0.00 179.24 176.49 3k59 h ALA 680 N 1.65 1.00 -0.32 3.45 0.00 -1.96 -2.28 119.26 120.80 3k59 h ALA 680 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.27 3k59 h ALA 680 Cb 0.81 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.60 3k59 h ALA 680 CO -0.12 0.00 0.00 0.54 0.00 0.00 0.00 179.25 179.67 3k59 n ARG 681 N -2.78 2.39 -0.40 0.00 1.74 -0.63 -4.55 116.66 112.44 3k59 n ARG 681 Ca -0.01 -2.08 0.08 0.00 -0.77 0.00 0.00 57.85 55.07 3k59 n ARG 681 Cb 0.12 -1.49 0.27 0.00 -1.02 0.00 0.00 32.46 30.34 3k59 n ARG 681 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3k59 n LEU 682 N 1.32 3.52 -4.72 0.55 4.77 -0.86 -1.76 117.00 119.81 3k59 n LEU 682 Ca 0.18 -1.77 -0.39 0.00 -0.03 0.00 0.00 56.01 54.00 3k59 n LEU 682 Cb 0.57 -0.45 -0.05 0.00 -2.33 0.00 0.00 43.42 41.16 3k59 n LEU 682 CO 0.15 0.73 0.37 -0.69 -1.33 0.00 0.00 177.39 176.62 3k59 s VAL 683 N -1.49 5.02 0.02 4.08 1.01 -1.26 -4.65 120.40 123.13 3k59 s VAL 683 Ca 0.40 1.39 -0.10 0.00 0.00 0.00 0.00 61.98 63.67 3k59 s VAL 683 Cb 0.23 -4.01 -0.05 0.00 0.00 0.00 0.00 36.38 32.55 3k59 s VAL 683 CO 0.23 0.29 0.35 -0.31 0.00 0.00 0.00 175.10 175.66 3k59 s TYR 684 N 0.60 3.62 -0.06 5.22 2.02 0.65 -4.44 117.35 124.95 3k59 s TYR 684 Ca 0.36 0.76 0.00 0.00 -0.37 0.00 0.00 57.07 57.82 3k59 s TYR 684 Cb -0.18 -2.13 0.02 0.00 -0.40 0.00 0.00 41.96 39.28 3k59 s TYR 684 CO 0.18 0.59 -0.04 0.50 -1.57 0.00 0.00 175.55 175.21 3k59 s ARG 685 N -1.58 0.91 -0.02 -0.62 3.52 -1.26 -0.85 118.95 119.04 3k59 s ARG 685 Ca 0.28 -0.08 -0.13 0.00 -0.13 0.00 0.00 55.73 55.66 3k59 s ARG 685 Cb -0.14 -1.01 0.02 0.00 -1.56 0.00 0.00 34.95 32.26 3k59 s ARG 685 CO 0.15 -0.16 0.29 0.21 -0.81 0.00 0.00 175.30 174.97 3k59 s LYS 686 N 1.31 0.61 0.28 5.12 2.20 -0.82 -4.21 119.74 124.23 3k59 s LYS 686 Ca -0.05 -0.15 -0.26 0.00 -0.36 0.00 0.00 55.97 55.16 3k59 s LYS 686 Cb -0.14 0.27 -0.09 0.00 -1.51 0.00 0.00 37.83 36.36 3k59 s LYS 686 CO -0.02 -0.16 0.90 1.03 -0.36 0.00 0.00 175.35 176.74 3k59 s ARG 687 N -1.16 4.57 -0.52 4.03 0.52 -1.26 -1.37 118.95 123.77 3k59 s ARG 687 Ca -0.12 1.27 -0.16 0.00 -0.52 0.00 0.00 55.73 56.19 3k59 s ARG 687 Cb -0.05 -2.92 0.10 0.00 0.52 0.00 0.00 34.95 32.60 3k59 s ARG 687 CO 0.03 0.36 0.49 -0.51 0.02 0.00 0.00 175.30 175.69 3k59 s LEU 688 N -1.84 5.83 0.00 2.53 1.43 0.17 -4.90 118.68 121.90 3k59 s LEU 688 Ca 0.46 -1.53 0.28 0.00 -1.03 0.00 0.00 54.13 52.32 3k59 s LEU 688 Cb -0.20 -2.22 1.15 0.00 0.03 0.00 0.00 46.19 44.95 3k59 s LEU 688 CO 0.25 -0.80 1.85 0.54 0.23 0.00 0.00 176.35 178.42 3k59 n ARG 689 N 5.38 0.10 -4.28 1.70 1.74 -1.26 -2.89 116.66 117.15 3k59 n ARG 689 Ca -0.13 -0.02 -0.23 0.00 -0.77 0.00 0.00 57.85 56.71 3k59 n ARG 689 Cb 0.42 -1.50 -0.12 0.00 -1.02 0.00 0.00 32.46 30.24 3k59 n ARG 689 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 3k59 s ARG 690 N -2.91 1.12 0.55 5.56 0.52 -1.26 -4.96 118.95 117.56 3k59 s ARG 690 Ca 0.16 -1.19 -0.22 0.00 -0.52 0.00 0.00 55.73 53.97 3k59 s ARG 690 Cb 0.19 -1.30 -0.05 0.00 0.52 0.00 0.00 34.95 34.31 3k59 s ARG 690 CO 0.55 0.29 1.35 -2.30 0.02 0.00 0.00 175.30 175.21 3k59 n PRO 691 N 0.94 1.66 -0.22 3.54 -0.02 -1.26 -4.19 135.00 135.44 3k59 n PRO 691 Ca -0.18 0.61 0.15 0.00 -2.02 0.00 0.00 63.50 62.06 3k59 n PRO 691 Cb 0.54 -2.56 0.46 0.00 -0.02 0.00 0.00 33.50 31.92 3k59 n PRO 691 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3k59 h LEU 692 N 1.39 0.49 -1.17 2.45 6.46 -1.33 -0.97 115.31 122.62 3k59 h LEU 692 Ca -0.51 0.03 0.00 0.00 -0.12 0.00 0.00 57.88 57.29 3k59 h LEU 692 Cb 1.31 -0.06 0.00 0.00 -0.73 0.00 0.00 40.66 41.18 3k59 h LEU 692 CO 0.57 0.24 0.00 0.77 -0.62 0.00 0.00 178.44 179.39 3k59 h SER 693 N 0.51 0.00 0.71 1.25 4.64 -1.89 -3.17 113.55 115.60 3k59 h SER 693 Ca 0.42 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.74 3k59 h SER 693 Cb 0.88 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.97 3k59 h SER 693 CO -0.16 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.18 3k59 n GLU 694 N -3.05 0.02 -2.74 4.77 1.02 -0.37 -4.57 120.64 115.73 3k59 n GLU 694 Ca 0.01 0.13 -0.43 0.00 -0.02 0.00 0.00 57.16 56.86 3k59 n GLU 694 Cb 0.34 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.23 3k59 n GLU 694 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 3k59 s TYR 695 N -2.97 2.74 0.00 -0.32 2.02 -1.20 -4.75 117.35 112.86 3k59 s TYR 695 Ca 0.11 0.20 0.00 0.00 -0.37 0.00 0.00 57.07 57.01 3k59 s TYR 695 Cb 0.14 -4.23 0.00 0.00 -0.40 0.00 0.00 41.96 37.46 3k59 s TYR 695 CO 0.38 -1.41 0.00 1.04 -1.57 0.00 0.00 175.55 173.99 3k59 n GLN 696 N 7.80 2.62 0.26 -0.62 6.02 -1.26 -4.77 117.38 127.42 3k59 n GLN 696 Ca 0.05 0.00 0.09 0.00 -0.01 0.00 0.00 57.00 57.13 3k59 n GLN 696 Cb 0.48 -0.96 0.67 0.00 1.02 0.00 0.00 30.24 31.45 3k59 n GLN 696 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3k59 h ARG 697 N 0.00 0.00 0.00 -1.09 3.08 -1.99 -3.46 114.38 110.92 3k59 h ARG 697 Ca 0.00 0.00 0.15 0.00 0.07 0.00 0.00 59.98 60.20 3k59 h ARG 697 Cb 0.91 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.94 3k59 h ARG 697 CO 0.00 0.09 0.55 0.27 -1.07 0.00 0.00 179.97 179.81 3k59 n ASN 698 N -4.14 -1.58 -3.81 7.04 0.23 -1.26 -5.13 115.26 106.61 3k59 n ASN 698 Ca -0.03 -1.82 -0.30 0.00 -0.53 0.00 0.00 54.58 51.90 3k59 n ASN 698 Cb 0.17 2.57 -0.15 0.00 -2.08 0.00 0.00 39.78 40.29 3k59 n ASN 698 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 3k59 s VAL 699 N -2.10 1.14 0.62 3.53 1.01 -1.26 -4.91 120.40 118.43 3k59 s VAL 699 Ca 0.21 -1.42 -0.17 0.00 0.00 0.00 0.00 61.98 60.60 3k59 s VAL 699 Cb -0.03 -1.77 -0.02 0.00 0.00 0.00 0.00 36.38 34.57 3k59 s VAL 699 CO 0.05 -0.53 1.14 -2.84 0.00 0.00 0.00 175.10 172.92 3k59 s PRO 700 N 1.50 2.91 0.27 2.72 0.02 -1.26 -4.79 135.00 136.37 3k59 s PRO 700 Ca 0.06 1.55 -0.01 0.00 0.02 0.00 0.00 61.00 62.63 3k59 s PRO 700 Cb -0.18 -1.95 0.51 0.00 0.02 0.00 0.00 34.50 32.90 3k59 s PRO 700 CO -0.18 -1.20 1.80 -1.00 -0.33 0.00 0.00 177.00 176.10 3k59 h PRO 701 N 0.44 0.80 -0.15 5.54 0.13 -1.99 -0.28 132.00 136.49 3k59 h PRO 701 Ca -0.48 -0.05 -0.10 0.00 -0.87 0.00 0.00 66.00 64.50 3k59 h PRO 701 Cb 1.26 -0.18 -0.01 0.00 0.13 0.00 0.00 31.00 32.20 3k59 h PRO 701 CO 0.54 0.53 -0.34 1.12 -0.23 0.00 0.00 178.00 179.63 3k59 h HIS 702 N 0.82 0.34 -0.42 1.56 2.07 -1.98 -0.55 115.15 116.99 3k59 h HIS 702 Ca 0.46 -0.08 -0.13 0.00 -2.85 0.00 0.00 60.37 57.78 3k59 h HIS 702 Cb 0.52 -0.08 -0.01 0.00 2.57 0.00 0.00 27.41 30.41 3k59 h HIS 702 CO -0.04 0.60 -0.25 0.28 -3.07 0.00 0.00 177.93 175.45 3k59 h VAL 703 N 0.26 1.27 -0.33 6.12 2.07 -1.52 -0.28 116.25 123.84 3k59 h VAL 703 Ca 0.03 -1.39 -0.02 0.00 0.82 0.00 0.00 66.70 66.14 3k59 h VAL 703 Cb 0.72 1.21 -0.01 0.00 -1.52 0.00 0.00 31.29 31.69 3k59 h VAL 703 CO 0.05 0.47 0.12 -0.09 0.02 0.00 0.00 177.57 178.14 3k59 h ARG 704 N 0.75 0.51 -0.85 1.57 2.43 -0.68 0.45 114.38 118.55 3k59 h ARG 704 Ca 0.09 -0.10 -0.01 0.00 -0.81 0.00 0.00 59.98 59.15 3k59 h ARG 704 Cb 0.80 -0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 30.23 3k59 h ARG 704 CO 0.07 0.52 0.48 0.00 -1.51 0.00 0.00 179.97 179.53 3k59 h ALA 705 N 0.96 1.24 -0.45 2.80 0.00 -0.91 0.06 119.26 122.96 3k59 h ALA 705 Ca 0.11 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 3k59 h ALA 705 Cb 0.22 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 3k59 h ALA 705 CO -0.01 0.62 -0.05 0.00 0.00 0.00 0.00 179.25 179.81 3k59 h ALA 706 N 1.34 0.62 -0.77 0.00 0.00 -0.68 0.11 119.26 119.88 3k59 h ALA 706 Ca 0.30 -0.30 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 3k59 h ALA 706 Cb 0.00 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.59 3k59 h ALA 706 CO -0.05 0.47 0.34 0.00 0.00 0.00 0.00 179.25 180.00 3k59 h ARG 707 N 0.68 1.12 -0.65 0.00 3.08 -0.34 -0.49 114.38 117.78 3k59 h ARG 707 Ca 0.12 -0.18 -0.08 0.00 0.07 0.00 0.00 59.98 59.92 3k59 h ARG 707 Cb 0.58 -0.19 -0.03 0.00 0.08 0.00 0.00 29.97 30.41 3k59 h ARG 707 CO 0.03 0.88 0.11 -0.07 -1.07 0.00 0.00 179.97 179.86 3k59 h LEU 708 N 1.10 1.03 -0.40 3.04 3.38 -0.71 -1.40 115.31 121.35 3k59 h LEU 708 Ca 0.26 -0.26 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 3k59 h LEU 708 Cb 0.16 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 3k59 h LEU 708 CO -0.03 1.02 0.09 0.00 0.09 0.00 0.00 178.44 179.62 3k59 h ALA 709 N 1.04 0.53 -0.04 1.53 0.00 -0.27 -1.62 119.26 120.43 3k59 h ALA 709 Ca 0.20 -0.20 -0.13 0.00 0.00 0.00 0.00 54.91 54.78 3k59 h ALA 709 Cb 0.43 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 3k59 h ALA 709 CO 0.01 0.22 -0.58 -0.44 0.00 0.00 0.00 179.25 178.46 3k59 h ASP 710 N 0.51 0.14 -0.34 0.00 3.32 -1.00 0.12 116.42 119.17 3k59 h ASP 710 Ca 0.13 -0.08 -0.01 0.00 0.02 0.00 0.00 57.03 57.09 3k59 h ASP 710 Cb 0.33 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 39.82 3k59 h ASP 710 CO 0.00 0.69 0.16 -0.33 -1.72 0.00 0.00 179.24 178.05 3k59 h GLU 711 N 0.09 0.49 -0.83 3.56 5.08 -1.14 -0.24 114.58 121.59 3k59 h GLU 711 Ca -0.00 -0.07 -0.03 0.00 -1.00 0.00 0.00 59.36 58.26 3k59 h GLU 711 Cb 1.05 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 30.18 3k59 h GLU 711 CO 0.08 0.45 0.42 1.49 -1.00 0.00 0.00 179.01 180.46 3k59 h GLU 712 N 0.42 1.19 -0.96 2.33 4.57 -0.93 -0.91 114.58 120.28 3k59 h GLU 712 Ca 0.12 -0.16 0.02 0.00 -1.18 0.00 0.00 59.36 58.16 3k59 h GLU 712 Cb 0.12 -0.22 -0.05 0.00 -0.16 0.00 0.00 28.75 28.44 3k59 h GLU 712 CO -0.01 0.90 0.63 -0.91 -1.18 0.00 0.00 179.01 178.43 3k59 h ASN 713 N 1.18 1.07 -0.70 1.04 2.35 -0.23 -2.15 115.58 118.14 3k59 h ASN 713 Ca 0.29 -0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 56.01 3k59 h ASN 713 Cb 0.09 -0.26 -0.03 0.00 0.05 0.00 0.00 38.32 38.17 3k59 h ASN 713 CO -0.04 0.76 0.38 -0.61 -1.65 0.00 0.00 177.43 176.27 3k59 h GLN 714 N 1.26 0.98 0.00 0.81 4.15 -0.10 -0.21 115.11 122.00 3k59 h GLN 714 Ca 0.36 -0.11 0.00 0.00 0.77 0.00 0.00 58.65 59.67 3k59 h GLN 714 Cb -0.08 -0.19 0.00 0.00 0.21 0.00 0.00 27.48 27.42 3k59 h GLN 714 CO -0.10 0.73 0.00 1.63 -1.93 0.00 0.00 178.83 179.16 3k59 n LYS 715 N -4.49 0.16 -0.13 1.69 5.02 -0.44 -2.55 118.16 117.42 3k59 n LYS 715 Ca 0.06 0.38 0.06 0.00 -2.02 0.00 0.00 58.31 56.79 3k59 n LYS 715 Cb 0.09 -1.80 0.13 0.00 -0.02 0.00 0.00 35.03 33.43 3k59 n LYS 715 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3k59 n ARG 716 N -2.11 2.15 -2.21 1.97 1.74 -0.69 -4.98 116.66 112.54 3k59 n ARG 716 Ca 0.03 -1.84 -0.16 0.00 -0.77 0.00 0.00 57.85 55.11 3k59 n ARG 716 Cb 0.23 -1.29 -0.01 0.00 -1.02 0.00 0.00 32.46 30.37 3k59 n ARG 716 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3k59 n GLY 717 N 0.69 -0.08 3.76 -0.13 0.00 -0.73 -5.00 105.19 103.69 3k59 n GLY 717 Ca 0.11 -0.23 -0.30 0.00 0.00 0.00 0.00 46.02 45.61 3k59 n GLY 717 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3k59 s ARG 718 N -4.63 2.80 0.33 1.61 0.52 -0.17 -5.04 118.95 114.37 3k59 s ARG 718 Ca 0.00 -0.76 -0.29 0.00 -0.52 0.00 0.00 55.73 54.16 3k59 s ARG 718 Cb 0.00 -2.67 -0.11 0.00 0.52 0.00 0.00 34.95 32.69 3k59 s ARG 718 CO 0.00 0.55 1.53 -1.25 0.02 0.00 0.00 175.30 176.15 3k59 s PRO 719 N -2.49 4.13 0.55 3.54 0.04 -1.26 -4.27 135.00 135.24 3k59 s PRO 719 Ca 0.29 2.55 -0.21 0.00 0.04 0.00 0.00 61.00 63.67 3k59 s PRO 719 Cb -0.12 -3.00 -0.05 0.00 0.04 0.00 0.00 34.50 31.37 3k59 s PRO 719 CO 0.21 -0.56 1.29 -0.51 0.04 0.00 0.00 177.00 177.47 3k59 s LEU 720 N -1.24 3.82 -0.02 -3.56 1.43 -1.26 -4.96 118.68 112.89 3k59 s LEU 720 Ca 0.58 2.60 0.03 0.00 -1.03 0.00 0.00 54.13 56.31 3k59 s LEU 720 Cb -0.47 -4.35 -0.04 0.00 0.03 0.00 0.00 46.19 41.36 3k59 s LEU 720 CO 0.55 -1.49 0.02 0.00 0.23 0.00 0.00 176.35 175.65 3k59 n GLN 721 N -1.10 2.86 -0.42 1.70 6.02 -1.26 -4.82 117.38 120.35 3k59 n GLN 721 Ca 0.11 -0.01 0.08 0.00 -0.01 0.00 0.00 57.00 57.17 3k59 n GLN 721 Cb 0.47 -1.08 0.25 0.00 1.02 0.00 0.00 30.24 30.90 3k59 n GLN 721 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 3k59 n TYR 722 N -2.01 0.92 0.00 1.08 4.01 -1.26 -4.68 117.16 115.22 3k59 n TYR 722 Ca -0.04 -0.81 -0.08 0.00 -0.16 0.00 0.00 57.90 56.81 3k59 n TYR 722 Cb 0.50 -0.28 0.09 0.00 -0.31 0.00 0.00 39.34 39.34 3k59 n TYR 722 CO 0.00 0.00 0.00 1.96 -0.46 0.00 0.00 176.86 178.36 3k59 h GLN 723 N 1.94 0.54 -2.16 -0.72 1.08 -1.96 -3.37 115.11 110.45 3k59 h GLN 723 Ca 0.00 -0.30 -0.55 0.00 -1.45 0.00 0.00 58.65 56.35 3k59 h GLN 723 Cb 1.36 0.02 -0.41 0.00 -0.05 0.00 0.00 27.48 28.40 3k59 h GLN 723 CO 0.20 0.90 -0.86 -1.71 -0.95 0.00 0.00 178.83 176.41 3k59 n ASN 724 N -3.99 2.87 -0.21 1.46 5.15 -1.26 -1.24 115.26 118.04 3k59 n ASN 724 Ca -0.02 -3.36 0.03 0.00 -0.60 0.00 0.00 54.58 50.62 3k59 n ASN 724 Cb 0.56 -0.60 -0.01 0.00 -0.53 0.00 0.00 39.78 39.20 3k59 n ASN 724 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 3k59 n ARG 725 N 0.15 -0.48 0.00 1.20 1.74 -1.26 -4.91 116.66 113.10 3k59 n ARG 725 Ca 0.28 0.39 0.00 0.00 -0.77 0.00 0.00 57.85 57.75 3k59 n ARG 725 Cb 0.49 -0.57 0.00 0.00 -1.02 0.00 0.00 32.46 31.37 3k59 n ARG 725 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3k59 n GLY 726 N -2.46 0.97 3.40 -0.13 0.00 -1.14 -4.83 105.19 100.99 3k59 n GLY 726 Ca -0.01 -1.93 -0.32 0.00 0.00 0.00 0.00 46.02 43.76 3k59 n GLY 726 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3k59 s THR 727 N -1.91 2.73 -0.07 2.61 2.01 -1.26 0.45 115.64 120.20 3k59 s THR 727 Ca 0.00 -0.83 0.06 0.00 0.31 0.00 0.00 61.69 61.22 3k59 s THR 727 Cb 0.00 -2.05 -0.01 0.00 0.01 0.00 0.00 72.50 70.45 3k59 s THR 727 CO 0.00 0.58 -0.24 -0.51 -0.69 0.00 0.00 174.62 173.75 3k59 s ILE 728 N -0.48 2.11 -0.19 1.82 1.10 -0.47 -4.96 121.20 120.12 3k59 s ILE 728 Ca 0.06 -1.04 -0.08 0.00 -0.51 0.00 0.00 60.65 59.08 3k59 s ILE 728 Cb -0.12 -1.77 -0.04 0.00 0.15 0.00 0.00 42.46 40.68 3k59 s ILE 728 CO 0.01 0.57 0.08 -0.54 -2.11 0.00 0.00 174.94 172.95 3k59 s LYS 729 N -0.09 4.00 0.16 3.50 1.02 -1.26 -1.94 119.74 125.14 3k59 s LYS 729 Ca -0.06 -0.32 -0.06 0.00 0.02 0.00 0.00 55.97 55.55 3k59 s LYS 729 Cb -0.14 -3.27 -0.02 0.00 -0.52 0.00 0.00 37.83 33.87 3k59 s LYS 729 CO 0.04 0.24 0.20 1.52 -0.92 0.00 0.00 175.35 176.44 3k59 s TYR 730 N 0.46 0.63 0.16 3.18 -0.85 -0.03 -1.10 117.35 119.81 3k59 s TYR 730 Ca 0.04 -0.98 0.04 0.00 -0.52 0.00 0.00 57.07 55.65 3k59 s TYR 730 Cb -0.12 -0.24 -0.05 0.00 0.38 0.00 0.00 41.96 41.94 3k59 s TYR 730 CO 0.00 -0.66 -0.09 0.14 -1.52 0.00 0.00 175.55 173.42 3k59 s VAL 731 N -4.02 1.13 -0.36 -3.49 -7.23 -0.33 -0.25 120.40 105.85 3k59 s VAL 731 Ca 0.22 -2.05 -0.13 0.00 -1.81 0.00 0.00 61.98 58.21 3k59 s VAL 731 Cb 0.05 -1.91 -0.00 0.00 0.56 0.00 0.00 36.38 35.07 3k59 s VAL 731 CO 0.02 -0.69 0.24 0.86 -0.31 0.00 0.00 175.10 175.22 3k59 s TRP 732 N -3.35 3.23 0.55 2.82 -0.11 -1.26 -1.16 118.94 119.65 3k59 s TRP 732 Ca 0.18 -0.42 0.09 0.00 1.22 0.00 0.00 56.10 57.17 3k59 s TRP 732 Cb 0.03 -2.49 0.07 0.00 -1.50 0.00 0.00 33.47 29.58 3k59 s TRP 732 CO 0.02 -0.45 0.69 0.95 -4.62 0.00 0.00 176.95 173.53 3k59 s THR 733 N 1.68 2.17 -0.80 5.86 -4.23 -0.37 -0.91 115.64 119.04 3k59 s THR 733 Ca 0.05 -1.09 0.14 0.00 -1.18 0.00 0.00 61.69 59.61 3k59 s THR 733 Cb -0.18 -2.26 0.13 0.00 1.34 0.00 0.00 72.50 71.53 3k59 s THR 733 CO 0.09 0.00 1.44 0.35 -0.54 0.00 0.00 174.62 175.97 3k59 n THR 734 N -2.10 1.18 -1.18 3.99 -2.24 -0.16 -1.47 114.28 112.30 3k59 n THR 734 Ca 0.12 0.35 0.03 0.00 -2.27 0.00 0.00 64.05 62.28 3k59 n THR 734 Cb 0.62 -1.22 0.23 0.00 -2.10 0.00 0.00 70.33 67.85 3k59 n THR 734 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3k59 n ASN 735 N -1.75 3.22 0.00 3.42 5.03 -1.26 -5.07 115.26 118.85 3k59 n ASN 735 Ca 0.02 -3.33 0.00 0.00 0.87 0.00 0.00 54.58 52.14 3k59 n ASN 735 Cb 0.13 -0.58 0.00 0.00 -1.02 0.00 0.00 39.78 38.32 3k59 n ASN 735 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3k59 n GLY 736 N -0.83 -2.95 3.74 7.41 0.00 -0.54 -4.93 105.19 107.09 3k59 n GLY 736 Ca 0.26 -1.92 -0.41 0.00 0.00 0.00 0.00 46.02 43.95 3k59 n GLY 736 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3k59 s PRO 737 N -0.57 4.31 0.02 1.61 0.04 -1.26 -1.24 135.00 137.91 3k59 s PRO 737 Ca 0.00 2.21 0.02 0.00 0.04 0.00 0.00 61.00 63.27 3k59 s PRO 737 Cb 0.00 -3.14 -0.02 0.00 0.04 0.00 0.00 34.50 31.38 3k59 s PRO 737 CO 0.00 -0.36 -0.07 -1.21 0.04 0.00 0.00 177.00 175.40 3k59 s GLU 738 N -0.22 0.52 0.39 4.56 2.02 -0.31 -4.43 118.70 121.23 3k59 s GLU 738 Ca 0.59 -0.53 -0.27 0.00 0.02 0.00 0.00 54.97 54.78 3k59 s GLU 738 Cb -0.40 -0.40 -0.10 0.00 0.10 0.00 0.00 34.13 33.33 3k59 s GLU 738 CO 0.41 0.09 1.38 -1.25 0.02 0.00 0.00 175.26 175.91 3k59 s PRO 739 N -0.95 4.05 0.25 0.39 0.04 -1.26 -1.19 135.00 136.33 3k59 s PRO 739 Ca -0.04 2.34 -0.05 0.00 0.04 0.00 0.00 61.00 63.29 3k59 s PRO 739 Cb -0.07 -2.87 0.34 0.00 0.04 0.00 0.00 34.50 31.94 3k59 s PRO 739 CO 0.00 -0.49 1.87 1.25 0.04 0.00 0.00 177.00 179.67 3k59 h LEU 740 N 2.87 0.93 -1.65 -3.56 5.85 -1.42 -2.32 115.31 116.02 3k59 h LEU 740 Ca -0.50 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.22 3k59 h LEU 740 Cb 1.24 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 42.07 3k59 h LEU 740 CO 0.63 0.61 0.13 0.44 -0.34 0.00 0.00 178.44 179.91 3k59 h ASP 741 N 1.08 0.32 -1.51 1.25 3.32 -1.90 -3.24 116.42 115.74 3k59 h ASP 741 Ca 0.39 -0.02 -0.50 0.00 0.02 0.00 0.00 57.03 56.92 3k59 h ASP 741 Cb 0.13 -0.08 -0.41 0.00 0.22 0.00 0.00 39.33 39.18 3k59 h ASP 741 CO -0.16 0.28 -0.94 -1.22 -1.72 0.00 0.00 179.24 175.47 3k59 n TYR 742 N -4.45 2.29 -2.39 4.55 4.01 -0.92 -5.07 117.16 115.19 3k59 n TYR 742 Ca 0.01 -3.22 -0.43 0.00 -0.16 0.00 0.00 57.90 54.11 3k59 n TYR 742 Cb 0.11 -0.29 -0.02 0.00 -0.31 0.00 0.00 39.34 38.83 3k59 n TYR 742 CO 0.00 0.00 0.00 -1.14 -0.46 0.00 0.00 176.86 175.26 3k59 s GLN 743 N -3.24 4.28 -0.21 -0.72 0.74 -0.95 -4.64 119.66 114.93 3k59 s GLN 743 Ca 0.40 1.73 0.08 0.00 0.05 0.00 0.00 55.36 57.62 3k59 s GLN 743 Cb 0.40 -3.68 -0.18 0.00 1.10 0.00 0.00 33.01 30.65 3k59 s GLN 743 CO -0.09 -0.61 -0.08 0.54 -0.55 0.00 0.00 175.29 174.50 3k59 n ARG 744 N 5.98 0.80 -4.01 1.67 5.12 -1.26 -5.03 116.66 119.94 3k59 n ARG 744 Ca 0.13 0.07 -0.21 0.00 -1.93 0.00 0.00 57.85 55.90 3k59 n ARG 744 Cb 0.45 -1.46 -0.03 0.00 -1.16 0.00 0.00 32.46 30.27 3k59 n ARG 744 CO 0.00 0.00 0.00 -1.12 -1.93 0.00 0.00 177.63 174.58 3k59 s SER 745 N -5.76 6.11 0.61 0.55 0.01 -1.26 -5.10 113.70 108.87 3k59 s SER 745 Ca -0.21 -0.01 -0.16 0.00 1.31 0.00 0.00 55.95 56.88 3k59 s SER 745 Cb 0.07 -1.74 -0.02 0.00 0.21 0.00 0.00 66.02 64.53 3k59 s SER 745 CO 0.62 -0.06 1.10 -2.16 0.41 0.00 0.00 173.24 173.16 3k59 s PRO 746 N -3.91 3.06 0.48 12.44 0.04 -1.26 -4.78 135.00 141.06 3k59 s PRO 746 Ca 0.34 1.41 -0.24 0.00 0.04 0.00 0.00 61.00 62.55 3k59 s PRO 746 Cb -0.09 -1.98 -0.07 0.00 0.04 0.00 0.00 34.50 32.40 3k59 s PRO 746 CO 0.28 -1.05 1.31 -0.51 0.04 0.00 0.00 177.00 177.07 3k59 s LEU 747 N -4.50 4.02 -0.86 -3.56 1.43 -1.26 -0.98 118.68 112.96 3k59 s LEU 747 Ca 0.68 2.65 -0.14 0.00 -1.03 0.00 0.00 54.13 56.29 3k59 s LEU 747 Cb -0.20 -4.12 0.21 0.00 0.03 0.00 0.00 46.19 42.10 3k59 s LEU 747 CO 0.37 -1.18 0.83 -0.62 0.23 0.00 0.00 176.35 175.97 3k59 s ASP 748 N -0.93 6.78 0.51 2.29 -1.08 -0.09 -4.56 116.67 119.58 3k59 s ASP 748 Ca 0.64 -2.66 0.18 0.00 -0.52 0.00 0.00 52.55 50.19 3k59 s ASP 748 Cb -0.38 -2.23 1.26 0.00 -1.46 0.00 0.00 42.92 40.11 3k59 s ASP 748 CO 0.46 -0.62 2.11 1.88 0.52 0.00 0.00 175.17 179.52 3k59 h TYR 749 N 7.85 0.00 -0.82 -5.34 0.05 -1.92 -1.67 116.97 115.11 3k59 h TYR 749 Ca 0.12 0.00 -0.03 0.00 0.05 0.00 0.00 58.73 58.87 3k59 h TYR 749 Cb 1.03 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 38.73 3k59 h TYR 749 CO 1.04 0.06 0.40 1.49 -1.05 0.00 0.00 178.16 180.11 3k59 h GLU 750 N 0.00 1.18 -0.39 4.88 4.22 -1.97 -0.55 114.58 121.94 3k59 h GLU 750 Ca -0.00 -0.17 -0.00 0.00 0.08 0.00 0.00 59.36 59.27 3k59 h GLU 750 Cb 0.12 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.13 3k59 h GLU 750 CO 0.01 0.90 0.23 1.25 -2.18 0.00 0.00 179.01 179.22 3k59 h HIS 751 N 1.17 0.52 -0.57 0.92 2.76 -1.69 -1.12 115.15 117.14 3k59 h HIS 751 Ca 0.28 -0.00 -0.09 0.00 -2.20 0.00 0.00 60.37 58.36 3k59 h HIS 751 Cb 0.11 -0.17 -0.02 0.00 1.55 0.00 0.00 27.41 28.87 3k59 h HIS 751 CO 0.01 0.38 0.01 1.88 -1.30 0.00 0.00 177.93 178.91 3k59 h TYR 752 N 0.52 1.05 -0.02 5.26 0.05 -1.32 0.79 116.97 123.29 3k59 h TYR 752 Ca 0.14 -0.17 -0.00 0.00 0.05 0.00 0.00 58.73 58.75 3k59 h TYR 752 Cb 0.01 -0.28 -0.00 0.00 1.01 0.00 0.00 36.73 37.47 3k59 h TYR 752 CO -0.03 0.94 0.01 1.25 -1.05 0.00 0.00 178.16 179.27 3k59 h LEU 753 N 0.90 0.03 -0.08 3.88 5.85 -0.88 -0.92 115.31 124.09 3k59 h LEU 753 Ca 0.17 -0.16 -0.25 0.00 0.84 0.00 0.00 57.88 58.48 3k59 h LEU 753 Cb 0.51 -0.01 0.01 0.00 0.37 0.00 0.00 40.66 41.54 3k59 h LEU 753 CO 0.03 0.18 -1.04 0.74 -0.34 0.00 0.00 178.44 178.01 3k59 h THR 754 N -0.12 1.40 0.00 1.05 2.02 -1.08 0.59 112.91 116.77 3k59 h THR 754 Ca 0.01 -2.56 0.00 0.00 0.77 0.00 0.00 66.41 64.63 3k59 h THR 754 Cb 0.16 2.55 0.00 0.00 -1.74 0.00 0.00 68.15 69.12 3k59 h THR 754 CO -0.00 0.76 -1.57 0.54 0.37 0.00 0.00 175.52 175.62 3k59 n ARG 755 N -3.72 0.45 -0.01 6.66 5.12 0.27 -4.28 116.66 121.15 3k59 n ARG 755 Ca -0.08 -0.11 -0.05 0.00 -1.93 0.00 0.00 57.85 55.68 3k59 n ARG 755 Cb 0.89 -1.54 -0.02 0.00 -1.16 0.00 0.00 32.46 30.63 3k59 n ARG 755 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 3k59 n GLN 756 N -2.06 0.15 -0.04 5.56 1.13 -0.45 -4.68 117.38 116.99 3k59 n GLN 756 Ca -0.01 0.06 -0.15 0.00 -1.94 0.00 0.00 57.00 54.97 3k59 n GLN 756 Cb 0.49 -0.75 -0.09 0.00 0.11 0.00 0.00 30.24 30.00 3k59 n GLN 756 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 3k59 h LEU 757 N -0.26 0.41 -0.30 1.08 3.38 -1.22 -3.29 115.31 115.11 3k59 h LEU 757 Ca -0.09 -0.61 0.05 0.00 0.09 0.00 0.00 57.88 57.31 3k59 h LEU 757 Cb 0.71 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 41.30 3k59 h LEU 757 CO -0.06 0.95 0.03 -0.61 0.09 0.00 0.00 178.44 178.84 3k59 h GLN 758 N -0.11 0.13 -0.89 1.13 4.15 -1.06 -1.96 115.11 116.50 3k59 h GLN 758 Ca -0.01 -0.01 0.03 0.00 0.77 0.00 0.00 58.65 59.43 3k59 h GLN 758 Cb 0.91 -0.03 -0.05 0.00 0.21 0.00 0.00 27.48 28.52 3k59 h GLN 758 CO 0.06 0.08 0.58 -1.35 -1.93 0.00 0.00 178.83 176.27 3k59 h PRO 759 N 0.13 1.09 -0.35 -2.39 0.11 -1.75 -0.72 132.00 128.13 3k59 h PRO 759 Ca 0.14 -0.07 -0.01 0.00 0.11 0.00 0.00 66.00 66.17 3k59 h PRO 759 Cb 0.17 -0.25 -0.02 0.00 0.11 0.00 0.00 31.00 31.01 3k59 h PRO 759 CO -0.21 0.72 0.16 0.28 -0.21 0.00 0.00 178.00 178.75 3k59 h VAL 760 N 1.13 1.17 -0.27 3.15 2.07 -1.53 -2.16 116.25 119.81 3k59 h VAL 760 Ca 0.35 -0.49 -0.02 0.00 0.82 0.00 0.00 66.70 67.37 3k59 h VAL 760 Cb -0.01 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 30.60 3k59 h VAL 760 CO -0.11 0.18 0.10 0.00 0.02 0.00 0.00 177.57 177.75 3k59 h ALA 761 N 1.01 0.35 0.00 1.67 0.00 -0.97 -2.59 119.26 118.72 3k59 h ALA 761 Ca 0.12 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 3k59 h ALA 761 Cb 0.13 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 3k59 h ALA 761 CO -0.01 -0.04 -0.02 0.93 0.00 0.00 0.00 179.25 180.11 3k59 h GLU 762 N 0.28 0.00 0.00 0.00 5.08 -1.02 -0.58 114.58 118.33 3k59 h GLU 762 Ca 0.09 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.44 3k59 h GLU 762 Cb 0.21 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.45 3k59 h GLU 762 CO -0.01 0.02 -0.05 0.78 -1.00 0.00 0.00 179.01 178.76 3k59 h GLY 763 N 0.30 0.00 0.00 -3.84 0.00 -0.97 -3.39 103.07 95.16 3k59 h GLY 763 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3k59 h GLY 763 CO 0.00 0.00 -0.51 4.51 0.00 0.00 0.00 176.54 180.55 3k59 n ILE 764 N -3.17 0.00 -0.28 2.60 3.06 -0.69 -4.76 119.36 116.13 3k59 n ILE 764 Ca 0.00 0.00 0.08 0.00 -2.50 0.00 0.00 62.75 60.33 3k59 n ILE 764 Cb 0.31 -0.43 0.32 0.00 0.54 0.00 0.00 39.64 40.39 3k59 n ILE 764 CO 0.00 0.00 0.00 -0.07 -2.50 0.00 0.00 176.55 173.98 3k59 h LEU 765 N 0.00 0.76 -1.99 9.51 3.38 -1.34 -2.28 115.31 123.36 3k59 h LEU 765 Ca 0.00 0.03 0.08 0.00 0.09 0.00 0.00 57.88 58.08 3k59 h LEU 765 Cb 0.51 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 3k59 h LEU 765 CO 0.00 0.44 0.21 -0.65 0.09 0.00 0.00 178.44 178.52 3k59 h PRO 766 N 0.84 0.02 0.00 1.13 0.11 -1.75 -1.12 132.00 131.23 3k59 h PRO 766 Ca 0.42 -0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.50 3k59 h PRO 766 Cb 0.47 -0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.57 3k59 h PRO 766 CO -0.18 0.01 -0.11 0.74 -0.21 0.00 0.00 178.00 178.25 3k59 h PHE 767 N 0.02 0.00 -0.37 0.65 0.04 -1.71 -2.69 116.94 112.88 3k59 h PHE 767 Ca 0.14 0.00 -0.14 0.00 2.80 0.00 0.00 57.97 60.76 3k59 h PHE 767 Cb 0.52 0.00 -0.09 0.00 2.20 0.00 0.00 35.95 38.59 3k59 h PHE 767 CO -0.00 0.11 0.00 0.44 -0.60 0.00 0.00 178.31 178.26 3k59 n ILE 768 N -3.29 2.51 -3.83 -0.55 -5.35 -0.54 -4.90 119.36 103.41 3k59 n ILE 768 Ca -0.00 -2.39 -0.28 0.00 -0.27 0.00 0.00 62.75 59.81 3k59 n ILE 768 Cb 0.34 -0.31 0.04 0.00 -1.74 0.00 0.00 39.64 37.96 3k59 n ILE 768 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 3k59 n GLU 769 N -0.92 -5.86 -4.47 6.28 1.02 -1.01 -5.00 120.64 110.68 3k59 n GLU 769 Ca 0.31 0.64 -0.24 0.00 -0.02 0.00 0.00 57.16 57.86 3k59 n GLU 769 Cb 1.04 -5.52 -0.10 0.00 -0.02 0.00 0.00 31.44 26.84 3k59 n GLU 769 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3k59 s ASP 770 N -3.46 3.46 -0.03 1.62 -1.08 -0.54 -5.01 116.67 111.62 3k59 s ASP 770 Ca 0.56 -1.07 0.00 0.00 -0.52 0.00 0.00 52.55 51.52 3k59 s ASP 770 Cb -0.28 -0.28 0.03 0.00 -1.46 0.00 0.00 42.92 40.93 3k59 s ASP 770 CO 0.81 -0.06 0.01 0.21 0.52 0.00 0.00 175.17 176.67 3k59 s ASN 771 N -3.50 0.38 0.19 -0.34 3.84 -1.26 -3.07 114.94 111.18 3k59 s ASN 771 Ca 0.30 -0.00 -0.10 0.00 0.21 0.00 0.00 52.86 53.26 3k59 s ASN 771 Cb -0.02 -0.18 0.12 0.00 -0.55 0.00 0.00 41.25 40.62 3k59 s ASN 771 CO 0.14 -0.12 1.78 0.15 -2.79 0.00 0.00 177.10 176.27 3k59 h PHE 772 N 7.35 0.99 -0.45 0.43 3.57 -1.95 -2.76 116.94 124.13 3k59 h PHE 772 Ca -0.42 -0.05 0.04 0.00 3.53 0.00 0.00 57.97 61.08 3k59 h PHE 772 Cb 1.13 -0.31 -0.04 0.00 2.79 0.00 0.00 35.95 39.52 3k59 h PHE 772 CO 0.50 0.74 0.21 0.00 -2.23 0.00 0.00 178.31 177.54 3k59 h ALA 773 N 1.16 0.56 -0.87 2.41 0.00 -1.98 -0.61 119.26 119.92 3k59 h ALA 773 Ca 0.24 0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.18 3k59 h ALA 773 Cb 0.12 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 3k59 h ALA 773 CO -0.03 -0.15 0.58 1.15 0.00 0.00 0.00 179.25 180.80 3k59 h THR 774 N 0.43 1.22 -0.39 0.00 2.02 -1.95 0.99 112.91 115.23 3k59 h THR 774 Ca 0.20 -0.40 -0.05 0.00 0.77 0.00 0.00 66.41 66.93 3k59 h THR 774 Cb 0.12 -0.06 -0.02 0.00 -1.74 0.00 0.00 68.15 66.46 3k59 h THR 774 CO -0.15 0.21 0.06 -0.07 0.37 0.00 0.00 175.52 175.95 3k59 h LEU 775 N 1.17 0.61 -0.46 2.58 3.38 -1.01 -0.74 115.31 120.84 3k59 h LEU 775 Ca 0.32 -0.26 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 3k59 h LEU 775 Cb -0.13 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.44 3k59 h LEU 775 CO -0.07 0.72 0.28 0.24 0.09 0.00 0.00 178.44 179.70 3k59 h MET 776 N 0.49 0.62 -0.49 1.13 2.86 -0.64 -2.41 114.93 116.48 3k59 h MET 776 Ca 0.12 -0.05 0.02 0.00 -2.06 0.00 0.00 59.70 57.72 3k59 h MET 776 Cb 0.36 -0.13 -0.03 0.00 0.06 0.00 0.00 31.60 31.86 3k59 h MET 776 CO 0.01 0.45 0.30 1.15 1.06 0.00 0.00 176.91 179.88 3k59 h THR 777 N 0.62 1.07 0.00 2.22 2.02 -0.63 4.34 112.91 122.55 3k59 h THR 777 Ca 0.17 -0.21 -0.03 0.00 0.77 0.00 0.00 66.41 67.11 3k59 h THR 777 Cb -0.02 0.41 -0.00 0.00 -1.74 0.00 0.00 68.15 66.79 3k59 h THR 777 CO -0.03 0.11 -0.13 1.23 0.37 0.00 0.00 175.52 177.07 3k59 h GLY 778 N 0.61 0.00 0.00 2.16 0.00 -0.84 -3.18 103.07 101.81 3k59 h GLY 778 Ca 0.19 0.00 -0.31 0.00 0.00 0.00 0.00 47.33 47.21 3k59 h GLY 778 CO -0.08 0.00 -2.18 -0.18 0.00 0.00 0.00 176.54 174.11 3k59 n GLN 779 N -3.47 0.81 0.00 4.80 7.27 -0.83 -5.11 117.38 120.85 3k59 n GLN 779 Ca -0.01 0.08 0.13 0.00 0.07 0.00 0.00 57.00 57.27 3k59 n GLN 779 Cb 0.29 -1.42 0.41 0.00 2.41 0.00 0.00 30.24 31.93 3k59 n GLN 779 CO 0.00 0.00 0.00 -0.11 0.07 0.00 0.00 177.06 177.02