#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k5m s HIS 0 N 0.00 3.03 0.04 0.54 2.46 -1.26 -1.93 115.29 118.17 3k5m s HIS 0 Ca 0.00 1.58 -0.09 0.00 0.47 0.00 0.00 55.06 57.02 3k5m s HIS 0 Cb 0.00 -3.26 0.00 0.00 -0.13 0.00 0.00 32.58 29.19 3k5m s HIS 0 CO 0.00 -1.13 0.18 0.00 -2.47 0.00 0.00 174.74 171.32 3k5m s MET 1 N -2.66 0.69 -0.09 2.88 0.23 0.12 -4.88 119.30 115.59 3k5m s MET 1 Ca 0.62 -0.66 -0.10 0.00 -1.03 0.00 0.00 55.69 54.52 3k5m s MET 1 Cb -0.25 0.28 0.03 0.00 -1.53 0.00 0.00 34.83 33.36 3k5m s MET 1 CO 0.31 -0.20 0.28 0.00 -2.03 0.00 0.00 175.02 173.38 3k5m s ALA 2 N -2.62 -0.69 0.19 3.16 0.00 -1.26 -1.08 121.76 119.46 3k5m s ALA 2 Ca -0.05 0.70 -0.23 0.00 0.00 0.00 0.00 51.96 52.38 3k5m s ALA 2 Cb -0.01 -0.38 0.07 0.00 0.00 0.00 0.00 23.12 22.80 3k5m s ALA 2 CO -0.04 -0.15 0.97 1.14 0.00 0.00 0.00 175.76 177.68 3k5m s GLN 3 N -0.08 1.33 0.38 0.00 -2.07 0.43 -4.98 119.66 114.67 3k5m s GLN 3 Ca -0.02 -0.80 -0.24 0.00 -1.82 0.00 0.00 55.36 52.48 3k5m s GLN 3 Cb -0.03 0.42 -0.10 0.00 -1.09 0.00 0.00 33.01 32.21 3k5m s GLN 3 CO 0.01 -0.62 0.95 0.00 -1.32 0.00 0.00 175.29 174.31 3k5m s ALA 4 N -2.82 3.12 0.19 2.60 0.00 -1.26 -0.32 121.76 123.28 3k5m s ALA 4 Ca 0.16 0.48 -0.16 0.00 0.00 0.00 0.00 51.96 52.43 3k5m s ALA 4 Cb -0.02 -3.17 0.02 0.00 0.00 0.00 0.00 23.12 19.95 3k5m s ALA 4 CO 0.04 0.13 0.49 0.20 0.00 0.00 0.00 175.76 176.62 3k5m s GLY 5 N -1.87 -0.02 -0.09 0.00 0.00 0.33 -4.49 107.32 101.18 3k5m s GLY 5 Ca 0.56 -0.31 -0.01 0.00 0.00 0.00 0.00 44.72 44.96 3k5m s GLY 5 CO 0.19 -0.34 -0.04 -0.12 0.00 0.00 0.00 173.10 172.79 3k5m s PHE 6 N -3.89 1.06 0.21 1.90 5.36 -0.62 -0.53 117.98 121.49 3k5m s PHE 6 Ca 0.10 -0.44 -0.32 0.00 -0.96 0.00 0.00 56.93 55.32 3k5m s PHE 6 Cb -0.00 -0.99 -0.11 0.00 -0.34 0.00 0.00 43.02 41.57 3k5m s PHE 6 CO -0.03 -0.40 1.67 0.42 -1.46 0.00 0.00 175.22 175.43 3k5m s ILE 7 N 1.74 2.14 -0.20 3.12 1.01 -0.47 -1.50 121.20 127.06 3k5m s ILE 7 Ca 0.03 0.11 -0.13 0.00 0.00 0.00 0.00 60.65 60.66 3k5m s ILE 7 Cb -0.13 -3.07 -0.08 0.00 0.01 0.00 0.00 42.46 39.19 3k5m s ILE 7 CO -0.06 0.01 -0.29 0.18 0.00 0.00 0.00 174.94 174.78 3k5m n LEU 8 N 3.67 1.66 -4.02 2.97 4.77 0.24 -4.88 117.00 121.42 3k5m n LEU 8 Ca 0.14 0.28 -0.08 0.00 -0.03 0.00 0.00 56.01 56.32 3k5m n LEU 8 Cb 0.36 -0.67 -0.11 0.00 -2.33 0.00 0.00 43.42 40.68 3k5m n LEU 8 CO 0.63 0.19 -0.35 0.42 -1.33 0.00 0.00 177.39 176.95 3k5m s THR 9 N -2.53 0.15 0.01 -5.08 -4.23 -1.21 -4.79 115.64 97.97 3k5m s THR 9 Ca -0.29 -1.23 0.05 0.00 -1.18 0.00 0.00 61.69 59.04 3k5m s THR 9 Cb 0.09 -0.73 -0.03 0.00 1.34 0.00 0.00 72.50 73.17 3k5m s THR 9 CO 0.38 -0.68 -0.14 -0.13 -0.54 0.00 0.00 174.62 173.52 3k5m s ARG 10 N -2.37 2.30 -0.04 3.99 0.52 -1.26 -2.18 118.95 119.91 3k5m s ARG 10 Ca -0.07 -0.85 -0.10 0.00 -0.52 0.00 0.00 55.73 54.19 3k5m s ARG 10 Cb -0.03 -2.32 0.02 0.00 0.52 0.00 0.00 34.95 33.13 3k5m s ARG 10 CO -0.04 0.57 0.22 -1.01 0.02 0.00 0.00 175.30 175.06 3k5m s HIS 11 N -0.92 -0.13 -0.04 -0.53 3.76 -0.02 -5.01 115.29 112.40 3k5m s HIS 11 Ca 0.15 0.25 -0.11 0.00 -0.15 0.00 0.00 55.06 55.21 3k5m s HIS 11 Cb -0.11 0.04 0.02 0.00 1.11 0.00 0.00 32.58 33.64 3k5m s HIS 11 CO 0.05 -0.26 0.24 1.67 -0.85 0.00 0.00 174.74 175.60 3k5m s TRP 12 N -0.83 -0.15 -0.10 1.40 1.48 -1.26 -0.49 118.94 118.99 3k5m s TRP 12 Ca -0.09 0.30 -0.18 0.00 -1.06 0.00 0.00 56.10 55.07 3k5m s TRP 12 Cb -0.05 0.05 0.04 0.00 -1.16 0.00 0.00 33.47 32.36 3k5m s TRP 12 CO 0.02 -0.27 0.44 -0.98 -4.06 0.00 0.00 176.95 172.10 3k5m s ARG 13 N -0.84 0.65 0.33 3.25 1.70 0.42 -4.99 118.95 119.47 3k5m s ARG 13 Ca -0.09 0.32 -0.27 0.00 -0.47 0.00 0.00 55.73 55.22 3k5m s ARG 13 Cb -0.05 0.31 -0.09 0.00 -0.57 0.00 0.00 34.95 34.55 3k5m s ARG 13 CO 0.02 -0.14 1.06 -0.51 -1.08 0.00 0.00 175.30 174.65 3k5m s ASP 14 N -0.46 7.06 0.19 -2.89 1.01 -1.26 0.24 116.67 120.56 3k5m s ASP 14 Ca -0.06 2.13 -0.06 0.00 0.71 0.00 0.00 52.55 55.27 3k5m s ASP 14 Cb -0.03 -2.61 -0.02 0.00 1.01 0.00 0.00 42.92 41.27 3k5m s ASP 14 CO 0.03 -0.28 0.25 0.42 0.21 0.00 0.00 175.17 175.80 3k5m s THR 15 N -1.40 0.03 0.39 -1.27 -4.23 -0.84 -4.86 115.64 103.46 3k5m s THR 15 Ca 0.51 -1.68 0.10 0.00 -1.18 0.00 0.00 61.69 59.43 3k5m s THR 15 Cb -0.27 -2.20 0.17 0.00 1.34 0.00 0.00 72.50 71.54 3k5m s THR 15 CO 0.34 -0.14 1.93 -0.65 -0.54 0.00 0.00 174.62 175.56 3k5m h PRO 16 N 2.54 0.25 0.00 3.99 0.11 -2.00 -0.68 132.00 136.21 3k5m h PRO 16 Ca -0.32 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.74 3k5m h PRO 16 Cb 1.24 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3k5m h PRO 16 CO 0.48 0.36 0.00 1.04 -0.21 0.00 0.00 178.00 179.67 3k5m n GLN 17 N -4.30 0.61 0.00 1.05 3.00 -1.26 -5.00 117.38 111.48 3k5m n GLN 17 Ca -0.01 0.01 0.00 0.00 -0.01 0.00 0.00 57.00 57.00 3k5m n GLN 17 Cb 0.25 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 28.99 3k5m n GLN 17 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3k5m n GLY 18 N 0.99 0.82 3.70 1.08 0.00 -0.26 -4.87 105.19 106.64 3k5m n GLY 18 Ca 0.17 -2.29 -0.42 0.00 0.00 0.00 0.00 46.02 43.48 3k5m n GLY 18 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3k5m s THR 19 N -1.02 4.42 -0.26 2.61 2.01 -1.24 -1.98 115.64 120.18 3k5m s THR 19 Ca 0.00 1.73 -0.10 0.00 0.31 0.00 0.00 61.69 63.63 3k5m s THR 19 Cb 0.00 -4.11 -0.05 0.00 0.01 0.00 0.00 72.50 68.35 3k5m s THR 19 CO 0.00 0.06 0.16 -0.70 -0.69 0.00 0.00 174.62 173.45 3k5m s GLU 20 N 1.67 3.96 -0.12 4.92 2.12 0.14 -2.23 118.70 129.16 3k5m s GLU 20 Ca 0.54 -0.32 0.01 0.00 0.36 0.00 0.00 54.97 55.57 3k5m s GLU 20 Cb -0.24 -3.57 -0.01 0.00 0.26 0.00 0.00 34.13 30.57 3k5m s GLU 20 CO 0.24 -0.08 -0.17 0.08 -0.54 0.00 0.00 175.26 174.79 3k5m s VAL 21 N 1.46 2.68 0.04 3.70 1.01 -1.26 -0.43 120.40 127.60 3k5m s VAL 21 Ca 0.07 -0.79 -0.03 0.00 0.00 0.00 0.00 61.98 61.23 3k5m s VAL 21 Cb -0.15 -2.09 -0.02 0.00 0.00 0.00 0.00 36.38 34.11 3k5m s VAL 21 CO 0.08 0.54 0.03 -0.94 0.00 0.00 0.00 175.10 174.80 3k5m s SER 22 N 0.35 0.31 0.08 3.32 1.04 0.36 -1.69 113.70 117.47 3k5m s SER 22 Ca -0.14 -0.72 0.04 0.00 0.48 0.00 0.00 55.95 55.61 3k5m s SER 22 Cb -0.17 0.20 -0.03 0.00 0.10 0.00 0.00 66.02 66.13 3k5m s SER 22 CO 0.07 -0.53 -0.12 -0.36 0.98 0.00 0.00 173.24 173.28 3k5m s PHE 23 N -3.03 1.11 -0.20 5.02 0.08 0.11 -0.84 117.98 120.23 3k5m s PHE 23 Ca -0.01 -0.52 -0.06 0.00 0.12 0.00 0.00 56.93 56.46 3k5m s PHE 23 Cb 0.01 -0.62 -0.03 0.00 -0.57 0.00 0.00 43.02 41.82 3k5m s PHE 23 CO -0.07 0.03 0.03 -1.58 -0.10 0.00 0.00 175.22 173.53 3k5m s TRP 24 N -1.62 3.09 0.21 0.36 0.52 -0.93 0.53 118.94 121.09 3k5m s TRP 24 Ca -0.01 -0.33 0.09 0.00 0.02 0.00 0.00 56.10 55.88 3k5m s TRP 24 Cb -0.08 -2.11 -0.04 0.00 -1.15 0.00 0.00 33.47 30.09 3k5m s TRP 24 CO 0.02 -0.17 -0.08 -0.51 0.02 0.00 0.00 176.95 176.23 3k5m s LEU 25 N 0.97 3.01 -0.16 2.99 1.43 0.02 -0.59 118.68 126.36 3k5m s LEU 25 Ca 0.02 -0.61 -0.05 0.00 -1.03 0.00 0.00 54.13 52.46 3k5m s LEU 25 Cb -0.14 -1.65 -0.03 0.00 0.03 0.00 0.00 46.19 44.39 3k5m s LEU 25 CO 0.02 0.08 0.02 0.00 0.23 0.00 0.00 176.35 176.70 3k5m s ALA 26 N -1.89 3.25 0.29 4.21 0.00 -0.56 -0.83 121.76 126.23 3k5m s ALA 26 Ca 0.27 -0.77 0.02 0.00 0.00 0.00 0.00 51.96 51.48 3k5m s ALA 26 Cb -0.08 -1.74 -0.05 0.00 0.00 0.00 0.00 23.12 21.25 3k5m s ALA 26 CO 0.16 0.24 0.09 -0.08 0.00 0.00 0.00 175.76 176.18 3k5m s THR 27 N 0.21 0.76 0.51 0.00 -1.32 -0.04 -1.59 115.64 114.16 3k5m s THR 27 Ca 0.02 -2.00 0.15 0.00 -1.21 0.00 0.00 61.69 58.65 3k5m s THR 27 Cb -0.13 -2.67 0.26 0.00 -1.51 0.00 0.00 72.50 68.46 3k5m s THR 27 CO 0.01 0.00 2.13 0.44 -2.21 0.00 0.00 174.62 174.99 3k5m h ASP 28 N 2.25 0.03 -0.50 8.08 5.19 -1.92 0.04 116.42 129.59 3k5m h ASP 28 Ca -0.39 -0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.01 3k5m h ASP 28 Cb 1.25 -0.01 -0.01 0.00 0.18 0.00 0.00 39.33 40.74 3k5m h ASP 28 CO 0.63 0.04 0.01 0.59 -3.12 0.00 0.00 179.24 177.39 3k5m n ASN 29 N -4.51 5.23 0.00 6.45 4.13 -1.26 -4.97 115.26 120.32 3k5m n ASN 29 Ca -0.03 -2.98 0.00 0.00 1.68 0.00 0.00 54.58 53.26 3k5m n ASN 29 Cb 0.10 -0.65 0.00 0.00 -1.54 0.00 0.00 39.78 37.69 3k5m n ASN 29 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3k5m n GLY 30 N 0.28 -1.16 3.75 7.41 0.00 -0.00 -5.02 105.19 110.45 3k5m n GLY 30 Ca 0.27 -2.13 -0.41 0.00 0.00 0.00 0.00 46.02 43.75 3k5m n GLY 30 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3k5m s PRO 31 N 0.00 4.34 -0.08 1.61 0.04 -1.26 -0.86 135.00 138.79 3k5m s PRO 31 Ca 0.00 2.17 -0.01 0.00 0.04 0.00 0.00 61.00 63.20 3k5m s PRO 31 Cb 0.00 -3.14 0.03 0.00 0.04 0.00 0.00 34.50 31.43 3k5m s PRO 31 CO 0.00 -0.29 -0.01 -1.17 0.04 0.00 0.00 177.00 175.58 3k5m s LEU 32 N -0.60 0.68 -0.02 -3.56 2.96 -0.01 -4.94 118.68 113.20 3k5m s LEU 32 Ca 0.56 -0.15 -0.27 0.00 -0.22 0.00 0.00 54.13 54.05 3k5m s LEU 32 Cb -0.39 -0.49 -0.03 0.00 0.50 0.00 0.00 46.19 45.77 3k5m s LEU 32 CO 0.43 -0.19 0.87 -1.58 -1.32 0.00 0.00 176.35 174.56 3k5m s GLN 33 N 1.94 4.52 -0.09 1.98 0.74 -1.26 -0.80 119.66 126.69 3k5m s GLN 33 Ca 0.05 1.22 0.02 0.00 0.05 0.00 0.00 55.36 56.69 3k5m s GLN 33 Cb -0.13 -3.45 0.01 0.00 1.10 0.00 0.00 33.01 30.55 3k5m s GLN 33 CO -0.06 0.01 -0.14 0.08 -0.55 0.00 0.00 175.29 174.63 3k5m s VAL 34 N 0.88 1.32 -0.13 1.34 1.01 0.19 -1.31 120.40 123.69 3k5m s VAL 34 Ca 0.46 -0.55 0.02 0.00 0.00 0.00 0.00 61.98 61.91 3k5m s VAL 34 Cb -0.20 -1.21 0.01 0.00 0.00 0.00 0.00 36.38 34.98 3k5m s VAL 34 CO 0.24 0.40 -0.20 -0.89 0.00 0.00 0.00 175.10 174.66 3k5m s THR 35 N 0.87 1.86 0.83 3.92 2.01 0.20 0.07 115.64 125.40 3k5m s THR 35 Ca -0.10 -0.86 -0.12 0.00 0.31 0.00 0.00 61.69 60.92 3k5m s THR 35 Cb -0.15 -1.66 0.09 0.00 0.01 0.00 0.00 72.50 70.79 3k5m s THR 35 CO 0.01 0.51 1.12 -0.76 -0.69 0.00 0.00 174.62 174.81 3k5m s LEU 36 N 0.87 2.41 0.75 4.42 1.43 -0.68 -0.92 118.68 126.96 3k5m s LEU 36 Ca -0.07 1.08 -0.11 0.00 -1.03 0.00 0.00 54.13 54.00 3k5m s LEU 36 Cb -0.15 -3.59 0.04 0.00 0.03 0.00 0.00 46.19 42.52 3k5m s LEU 36 CO -0.02 -2.09 1.09 0.00 0.23 0.00 0.00 176.35 175.56 3k5m s ALA 37 N -3.29 2.36 0.26 4.21 0.00 -1.26 -4.34 121.76 119.70 3k5m s ALA 37 Ca 0.62 0.25 -0.29 0.00 0.00 0.00 0.00 51.96 52.53 3k5m s ALA 37 Cb -0.14 -3.26 -0.14 0.00 0.00 0.00 0.00 23.12 19.59 3k5m s ALA 37 CO 0.53 -1.62 1.08 -2.30 0.00 0.00 0.00 175.76 173.45 3k5m n PRO 38 N -3.36 1.36 -4.93 0.00 -0.02 -1.26 -4.79 135.00 122.00 3k5m n PRO 38 Ca 0.09 0.48 -0.33 0.00 -2.02 0.00 0.00 63.50 61.72 3k5m n PRO 38 Cb 0.53 -1.91 -0.14 0.00 -0.02 0.00 0.00 33.50 31.96 3k5m n PRO 38 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 3k5m s GLN 39 N -1.17 2.90 0.59 -0.52 -1.52 -0.95 -4.93 119.66 114.05 3k5m s GLN 39 Ca 0.63 -0.74 -0.14 0.00 -1.95 0.00 0.00 55.36 53.16 3k5m s GLN 39 Cb -0.73 -2.44 -0.05 0.00 -0.22 0.00 0.00 33.01 29.57 3k5m s GLN 39 CO 0.57 0.39 1.02 -1.21 -0.25 0.00 0.00 175.29 175.82 3k5m s GLU 40 N -0.14 3.58 -0.01 2.91 2.02 -1.26 -3.94 118.70 121.86 3k5m s GLU 40 Ca -0.02 0.93 -0.00 0.00 0.02 0.00 0.00 54.97 55.90 3k5m s GLU 40 Cb -0.14 -2.08 -0.04 0.00 0.10 0.00 0.00 34.13 31.98 3k5m s GLU 40 CO 0.04 -0.58 0.06 -1.12 0.02 0.00 0.00 175.26 173.68 3k5m s SER 41 N -3.49 5.54 0.01 -0.19 0.01 -0.53 -4.97 113.70 110.08 3k5m s SER 41 Ca 0.58 0.11 0.00 0.00 1.31 0.00 0.00 55.95 57.96 3k5m s SER 41 Cb -0.12 -1.56 -0.01 0.00 0.21 0.00 0.00 66.02 64.54 3k5m s SER 41 CO 0.43 0.28 -0.03 0.54 0.41 0.00 0.00 173.24 174.87 3k5m s VAL 42 N -1.16 0.15 0.18 3.43 0.11 -1.26 -1.65 120.40 120.21 3k5m s VAL 42 Ca 0.22 -0.49 -0.01 0.00 -2.93 0.00 0.00 61.98 58.77 3k5m s VAL 42 Cb -0.12 -0.21 -0.04 0.00 -1.53 0.00 0.00 36.38 34.48 3k5m s VAL 42 CO 0.13 -0.21 0.11 0.00 -3.33 0.00 0.00 175.10 171.79 3k5m s ALA 43 N -0.71 1.06 0.10 1.54 0.00 -0.70 -4.72 121.76 118.32 3k5m s ALA 43 Ca -0.07 -1.62 0.10 0.00 0.00 0.00 0.00 51.96 50.37 3k5m s ALA 43 Cb -0.05 1.21 -0.04 0.00 0.00 0.00 0.00 23.12 24.25 3k5m s ALA 43 CO -0.00 -0.56 -0.25 -0.06 0.00 0.00 0.00 175.76 174.89 3k5m s PHE 44 N -4.12 2.12 0.00 0.00 0.08 -0.67 0.44 117.98 115.83 3k5m s PHE 44 Ca 0.34 -0.39 0.02 0.00 0.12 0.00 0.00 56.93 57.02 3k5m s PHE 44 Cb 0.07 -1.19 -0.01 0.00 -0.57 0.00 0.00 43.02 41.33 3k5m s PHE 44 CO 0.09 0.24 -0.07 0.42 -0.10 0.00 0.00 175.22 175.80 3k5m s ILE 45 N -1.01 0.53 0.37 0.64 1.01 -0.06 -0.41 121.20 122.27 3k5m s ILE 45 Ca 0.11 -0.43 -0.28 0.00 0.00 0.00 0.00 60.65 60.05 3k5m s ILE 45 Cb -0.10 -0.47 -0.11 0.00 0.01 0.00 0.00 42.46 41.79 3k5m s ILE 45 CO 0.04 0.05 1.48 -2.84 0.00 0.00 0.00 174.94 173.68 3k5m s PRO 46 N -0.42 4.12 0.24 2.79 0.02 -1.26 -0.54 135.00 139.95 3k5m s PRO 46 Ca 0.00 2.56 -0.06 0.00 0.02 0.00 0.00 61.00 63.53 3k5m s PRO 46 Cb -0.04 -2.97 0.25 0.00 0.02 0.00 0.00 34.50 31.76 3k5m s PRO 46 CO -0.00 -0.53 1.83 0.00 -0.33 0.00 0.00 177.00 177.97 3k5m h ALA 47 N 3.09 1.15 0.00 -1.55 0.00 -1.44 -0.72 119.26 119.78 3k5m h ALA 47 Ca -0.51 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.24 3k5m h ALA 47 Cb 1.24 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.71 3k5m h ALA 47 CO 0.65 0.63 0.00 -0.40 0.00 0.00 0.00 179.25 180.13 3k5m n ASP 48 N -4.30 0.31 -0.74 0.00 3.85 -1.26 -2.03 116.55 112.38 3k5m n ASP 48 Ca 0.08 0.60 0.11 0.00 -0.71 0.00 0.00 54.79 54.87 3k5m n ASP 48 Cb 0.15 -0.66 0.05 0.00 -1.35 0.00 0.00 41.12 39.31 3k5m n ASP 48 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3k5m n GLN 49 N -1.87 1.80 -0.28 0.11 6.02 -0.29 -4.56 117.38 118.32 3k5m n GLN 49 Ca 0.02 -1.49 0.00 0.00 -0.01 0.00 0.00 57.00 55.52 3k5m n GLN 49 Cb 0.14 -1.46 0.20 0.00 1.02 0.00 0.00 30.24 30.14 3k5m n GLN 49 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 3k5m h VAL 50 N 3.62 1.19 -0.32 5.09 2.07 -1.30 -2.00 116.25 124.61 3k5m h VAL 50 Ca 0.00 -0.39 0.03 0.00 0.82 0.00 0.00 66.70 67.17 3k5m h VAL 50 Cb 0.88 -0.03 -0.03 0.00 -1.52 0.00 0.00 31.29 30.58 3k5m h VAL 50 CO 0.00 0.21 0.11 -0.65 0.02 0.00 0.00 177.57 177.26 3k5m h PRO 51 N 1.13 0.25 -0.25 1.57 0.11 -1.80 0.29 132.00 133.29 3k5m h PRO 51 Ca 0.32 -0.01 -0.09 0.00 0.11 0.00 0.00 66.00 66.32 3k5m h PRO 51 Cb -0.08 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 30.96 3k5m h PRO 51 CO -0.08 0.16 -0.25 -0.09 -0.21 0.00 0.00 178.00 177.54 3k5m h ARG 52 N 0.26 0.47 -0.54 1.05 2.43 -1.78 -2.27 114.38 114.00 3k5m h ARG 52 Ca 0.14 -0.17 -0.01 0.00 -0.81 0.00 0.00 59.98 59.13 3k5m h ARG 52 Cb 0.11 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.61 3k5m h ARG 52 CO -0.14 0.68 0.31 0.00 -1.51 0.00 0.00 179.97 179.31 3k5m h ALA 53 N 1.32 0.68 -0.60 2.80 0.00 -0.40 0.64 119.26 123.70 3k5m h ALA 53 Ca 0.06 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 3k5m h ALA 53 Cb 0.66 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 3k5m h ALA 53 CO 0.05 0.19 0.32 1.96 0.00 0.00 0.00 179.25 181.77 3k5m h GLN 54 N 0.72 0.85 -0.33 0.00 4.20 -0.36 -1.66 115.11 118.53 3k5m h GLN 54 Ca 0.19 -0.10 -0.00 0.00 0.06 0.00 0.00 58.65 58.79 3k5m h GLN 54 Cb 0.02 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 27.62 3k5m h GLN 54 CO -0.03 0.65 0.19 1.25 -0.67 0.00 0.00 178.83 180.22 3k5m h HIS 55 N 0.82 0.44 -0.48 2.96 2.76 -0.78 -1.48 115.15 119.38 3k5m h HIS 55 Ca 0.21 -0.00 -0.05 0.00 -2.20 0.00 0.00 60.37 58.33 3k5m h HIS 55 Cb 0.06 -0.14 -0.02 0.00 1.55 0.00 0.00 27.41 28.85 3k5m h HIS 55 CO -0.01 0.33 0.11 0.82 -1.30 0.00 0.00 177.93 177.89 3k5m h ILE 56 N 0.42 1.21 -0.48 6.26 2.04 -0.67 -2.58 117.51 123.71 3k5m h ILE 56 Ca 0.12 -0.76 0.00 0.00 1.00 0.00 0.00 64.86 65.22 3k5m h ILE 56 Cb 0.03 0.72 0.00 0.00 -0.74 0.00 0.00 36.82 36.83 3k5m h ILE 56 CO -0.02 0.28 0.00 0.18 0.00 0.00 0.00 178.15 178.59 3k5m n LEU 57 N -4.29 3.58 -4.63 1.44 4.77 -0.64 -4.97 117.00 112.26 3k5m n LEU 57 Ca 0.03 -1.80 -0.49 0.00 -0.03 0.00 0.00 56.01 53.72 3k5m n LEU 57 Cb 0.22 -0.49 -0.05 0.00 -2.33 0.00 0.00 43.42 40.77 3k5m n LEU 57 CO 0.39 0.62 1.05 1.67 -1.33 0.00 0.00 177.39 179.80 3k5m n GLN 58 N 0.78 1.70 -0.30 3.23 7.27 -0.59 -1.75 117.38 127.72 3k5m n GLN 58 Ca 0.19 0.61 0.00 0.00 0.07 0.00 0.00 57.00 57.87 3k5m n GLN 58 Cb 0.67 -2.32 0.00 0.00 2.41 0.00 0.00 30.24 31.01 3k5m n GLN 58 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3k5m n GLY 59 N 2.96 1.65 3.76 1.69 0.00 -1.26 -5.04 105.19 108.94 3k5m n GLY 59 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 3k5m n GLY 59 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3k5m s GLU 60 N -0.27 4.60 0.31 1.61 0.41 -0.71 -5.07 118.70 119.58 3k5m s GLU 60 Ca 0.00 1.86 0.06 0.00 -0.41 0.00 0.00 54.97 56.48 3k5m s GLU 60 Cb 0.00 -3.17 -0.02 0.00 -1.78 0.00 0.00 34.13 29.16 3k5m s GLU 60 CO 0.00 0.16 0.41 -0.65 -0.49 0.00 0.00 175.26 174.69 3k5m s GLN 61 N -1.50 3.16 -1.24 1.61 -0.21 -1.26 -4.71 119.66 115.51 3k5m s GLN 61 Ca 0.45 -0.98 -0.02 0.00 0.02 0.00 0.00 55.36 54.84 3k5m s GLN 61 Cb -0.33 -2.79 0.00 0.00 1.00 0.00 0.00 33.01 30.89 3k5m s GLN 61 CO 0.43 0.18 0.26 0.41 -2.12 0.00 0.00 175.29 174.45 3k5m n GLY 62 N -1.53 -0.24 3.31 3.09 0.00 -1.26 -4.98 105.19 103.58 3k5m n GLY 62 Ca -0.03 -0.16 -0.10 0.00 0.00 0.00 0.00 46.02 45.74 3k5m n GLY 62 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3k5m s PHE 63 N -2.91 0.54 -0.01 1.61 -0.12 -1.26 -2.42 117.98 113.40 3k5m s PHE 63 Ca 0.13 -0.89 -0.16 0.00 -0.05 0.00 0.00 56.93 55.96 3k5m s PHE 63 Cb -0.06 -0.15 0.03 0.00 -0.63 0.00 0.00 43.02 42.20 3k5m s PHE 63 CO 0.16 -0.70 0.33 -0.98 -0.05 0.00 0.00 175.22 173.98 3k5m s ARG 64 N -4.00 0.70 -0.19 1.99 1.70 -0.06 -4.98 118.95 114.10 3k5m s ARG 64 Ca 0.20 -0.20 0.01 0.00 -0.47 0.00 0.00 55.73 55.27 3k5m s ARG 64 Cb 0.04 0.31 0.02 0.00 -0.57 0.00 0.00 34.95 34.75 3k5m s ARG 64 CO 0.02 -0.20 -0.18 -0.51 -1.08 0.00 0.00 175.30 173.35 3k5m s LEU 65 N -1.39 2.30 -0.02 -1.89 1.43 -1.26 -0.62 118.68 117.24 3k5m s LEU 65 Ca -0.13 -0.69 0.01 0.00 -1.03 0.00 0.00 54.13 52.29 3k5m s LEU 65 Cb -0.05 -1.51 0.01 0.00 0.03 0.00 0.00 46.19 44.67 3k5m s LEU 65 CO 0.04 -0.02 -0.05 0.28 0.23 0.00 0.00 176.35 176.83 3k5m s THR 66 N 1.29 0.45 0.52 5.49 -1.32 -0.61 -4.95 115.64 116.51 3k5m s THR 66 Ca 0.04 -0.18 -0.23 0.00 -1.21 0.00 0.00 61.69 60.11 3k5m s THR 66 Cb -0.14 -0.42 -0.06 0.00 -1.51 0.00 0.00 72.50 70.38 3k5m s THR 66 CO -0.12 0.16 1.40 -0.81 -2.21 0.00 0.00 174.62 173.04 3k5m n PRO 67 N 3.35 1.89 -4.19 7.08 -0.04 -1.26 0.12 135.00 141.95 3k5m n PRO 67 Ca -0.18 0.69 -0.13 0.00 -0.04 0.00 0.00 63.50 63.84 3k5m n PRO 67 Cb 0.55 -2.61 -0.10 0.00 -0.04 0.00 0.00 33.50 31.30 3k5m n PRO 67 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3k5m s LEU 68 N -3.28 2.46 -1.50 1.53 1.43 0.07 -4.80 118.68 114.60 3k5m s LEU 68 Ca 0.68 -0.91 -0.10 0.00 -1.03 0.00 0.00 54.13 52.77 3k5m s LEU 68 Cb -0.42 -0.23 0.01 0.00 0.03 0.00 0.00 46.19 45.58 3k5m s LEU 68 CO 0.52 -0.34 2.54 0.00 0.23 0.00 0.00 176.35 179.30 3k5m n ALA 69 N 0.22 6.63 -2.72 4.21 0.00 -1.26 -4.30 120.51 123.28 3k5m n ALA 69 Ca -0.14 -3.80 -0.10 0.00 0.00 0.00 0.00 53.44 49.41 3k5m n ALA 69 Cb 0.59 -3.29 -0.07 0.00 0.00 0.00 0.00 19.45 16.68 3k5m n ALA 69 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3k5m s LEU 70 N 0.40 1.25 0.05 0.00 1.43 -1.26 -4.84 118.68 115.71 3k5m s LEU 70 Ca 0.57 -0.50 0.02 0.00 -1.03 0.00 0.00 54.13 53.20 3k5m s LEU 70 Cb 0.16 1.13 -0.03 0.00 0.03 0.00 0.00 46.19 47.49 3k5m s LEU 70 CO -0.07 -0.69 -0.08 -0.54 0.23 0.00 0.00 176.35 175.21 3k5m s LYS 71 N -3.39 0.60 0.93 1.70 1.02 0.06 -0.94 119.74 119.71 3k5m s LYS 71 Ca 0.01 -0.88 -0.13 0.00 0.02 0.00 0.00 55.97 55.00 3k5m s LYS 71 Cb 0.02 -0.31 0.20 0.00 -0.52 0.00 0.00 37.83 37.23 3k5m s LYS 71 CO -0.08 0.05 1.27 0.16 -0.92 0.00 0.00 175.35 175.82 3k5m s ASP 72 N -1.86 3.22 0.10 2.83 1.47 0.62 -1.44 116.67 121.61 3k5m s ASP 72 Ca -0.06 0.03 0.18 0.00 1.18 0.00 0.00 52.55 53.88 3k5m s ASP 72 Cb -0.07 -0.09 0.74 0.00 -0.34 0.00 0.00 42.92 43.16 3k5m s ASP 72 CO -0.00 -2.64 1.55 0.49 0.68 0.00 0.00 175.17 175.24 3k5m n PHE 73 N -3.61 0.30 -0.33 2.11 3.01 -1.26 -1.26 117.46 116.43 3k5m n PHE 73 Ca 0.16 0.12 0.07 0.00 1.01 0.00 0.00 57.45 58.82 3k5m n PHE 73 Cb 0.60 -0.70 0.31 0.00 -0.01 0.00 0.00 39.48 39.68 3k5m n PHE 73 CO 0.00 0.00 0.00 0.72 1.01 0.00 0.00 176.76 178.49 3k5m n HIS 74 N -1.78 1.38 -2.87 1.38 8.25 -1.26 -4.92 115.22 115.41 3k5m n HIS 74 Ca 0.03 -0.53 -0.22 0.00 -0.26 0.00 0.00 57.72 56.74 3k5m n HIS 74 Cb 0.19 -0.27 0.02 0.00 1.12 0.00 0.00 29.99 31.04 3k5m n HIS 74 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 3k5m n ARG 75 N 0.82 -3.87 -4.11 -0.41 1.74 -0.39 -4.99 116.66 105.44 3k5m n ARG 75 Ca 0.22 0.89 -0.35 0.00 -0.77 0.00 0.00 57.85 57.84 3k5m n ARG 75 Cb 0.84 -5.68 -0.09 0.00 -1.02 0.00 0.00 32.46 26.50 3k5m n ARG 75 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 3k5m s GLN 76 N -5.54 3.62 0.58 5.56 2.00 -1.26 -4.85 119.66 119.78 3k5m s GLN 76 Ca 0.22 -0.34 -0.20 0.00 -2.00 0.00 0.00 55.36 53.04 3k5m s GLN 76 Cb -0.10 -3.08 -0.04 0.00 0.80 0.00 0.00 33.01 30.59 3k5m s GLN 76 CO 0.27 0.46 1.28 -2.14 -0.50 0.00 0.00 175.29 174.67 3k5m s PRO 77 N -0.17 2.98 0.19 1.67 0.02 -1.26 -0.28 135.00 138.14 3k5m s PRO 77 Ca 0.07 2.04 0.09 0.00 0.02 0.00 0.00 61.00 63.22 3k5m s PRO 77 Cb -0.12 -2.06 -0.04 0.00 0.02 0.00 0.00 34.50 32.29 3k5m s PRO 77 CO 0.01 -1.26 -0.19 0.14 -0.33 0.00 0.00 177.00 175.38 3k5m s VAL 78 N -1.43 1.95 0.15 3.83 -7.23 -0.12 -1.11 120.40 116.45 3k5m s VAL 78 Ca 0.76 -2.03 0.06 0.00 -1.81 0.00 0.00 61.98 58.96 3k5m s VAL 78 Cb -0.36 -1.96 -0.04 0.00 0.56 0.00 0.00 36.38 34.58 3k5m s VAL 78 CO 0.40 -0.33 0.05 -0.31 -0.31 0.00 0.00 175.10 174.60 3k5m s TYR 79 N -2.17 3.00 -0.18 2.82 1.51 0.30 -0.75 117.35 121.88 3k5m s TYR 79 Ca 0.19 -0.06 -0.08 0.00 -1.01 0.00 0.00 57.07 56.10 3k5m s TYR 79 Cb -0.05 -1.46 -0.04 0.00 -0.11 0.00 0.00 41.96 40.29 3k5m s TYR 79 CO 0.08 0.51 0.11 0.20 -1.11 0.00 0.00 175.55 175.34 3k5m s GLY 80 N -2.87 2.01 -0.35 0.71 0.00 0.12 -0.88 107.32 106.06 3k5m s GLY 80 Ca 0.29 -0.70 -0.12 0.00 0.00 0.00 0.00 44.72 44.18 3k5m s GLY 80 CO 0.20 -0.00 0.23 -2.27 0.00 0.00 0.00 173.10 171.26 3k5m s LEU 81 N 0.07 4.59 -0.13 0.66 2.96 0.17 -1.57 118.68 125.42 3k5m s LEU 81 Ca 0.08 -0.61 -0.02 0.00 -0.22 0.00 0.00 54.13 53.36 3k5m s LEU 81 Cb -0.12 -2.10 -0.03 0.00 0.50 0.00 0.00 46.19 44.45 3k5m s LEU 81 CO -0.00 -0.29 -0.06 -0.31 -1.32 0.00 0.00 176.35 174.37 3k5m s TYR 82 N 1.67 2.98 0.10 5.38 2.02 0.21 -1.73 117.35 127.98 3k5m s TYR 82 Ca 0.05 -0.28 0.06 0.00 -0.37 0.00 0.00 57.07 56.53 3k5m s TYR 82 Cb -0.18 -1.89 -0.03 0.00 -0.40 0.00 0.00 41.96 39.46 3k5m s TYR 82 CO 0.09 0.02 -0.15 0.00 -1.57 0.00 0.00 175.55 173.94 3k5m h ARG 84 N 3.97 0.00 -5.79 0.00 0.11 -1.79 -1.41 114.38 109.47 3k5m h ARG 84 Ca -0.41 0.00 -0.54 0.00 0.10 0.00 0.00 59.98 59.12 3k5m h ARG 84 Cb 1.19 0.00 -0.27 0.00 1.11 0.00 0.00 29.97 32.00 3k5m h ARG 84 CO 0.44 0.17 -0.83 0.00 0.10 0.00 0.00 179.97 179.84 3k5m s ALA 85 N -3.13 1.54 0.18 0.08 0.00 -1.26 -3.65 121.76 115.52 3k5m s ALA 85 Ca 0.06 -0.90 -0.06 0.00 0.00 0.00 0.00 51.96 51.06 3k5m s ALA 85 Cb 0.06 -0.32 0.08 0.00 0.00 0.00 0.00 23.12 22.94 3k5m s ALA 85 CO 0.70 0.35 1.53 1.25 0.00 0.00 0.00 175.76 179.58 3k5m h HIS 86 N 5.20 0.88 -0.09 0.00 2.76 -1.92 -2.58 115.15 119.40 3k5m h HIS 86 Ca -0.40 -0.27 -0.06 0.00 -2.20 0.00 0.00 60.37 57.44 3k5m h HIS 86 Cb 1.16 -0.18 -0.01 0.00 1.55 0.00 0.00 27.41 29.92 3k5m h HIS 86 CO 0.47 1.03 -0.24 -0.09 -1.30 0.00 0.00 177.93 177.80 3k5m h ARG 87 N 0.60 0.16 -0.23 5.26 2.43 -1.98 -0.06 114.38 120.55 3k5m h ARG 87 Ca 0.04 -0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 59.14 3k5m h ARG 87 Cb 0.97 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.49 3k5m h ARG 87 CO 0.09 0.39 0.03 0.37 -1.51 0.00 0.00 179.97 179.34 3k5m h GLN 88 N 0.14 0.39 -0.60 0.20 4.15 -1.94 0.04 115.11 117.49 3k5m h GLN 88 Ca 0.02 -0.11 -0.03 0.00 0.77 0.00 0.00 58.65 59.30 3k5m h GLN 88 Cb 0.50 -0.04 -0.03 0.00 0.21 0.00 0.00 27.48 28.12 3k5m h GLN 88 CO 0.03 0.54 0.25 1.25 -1.93 0.00 0.00 178.83 178.97 3k5m h LEU 89 N 0.19 0.82 -0.86 -2.39 5.85 -1.03 0.63 115.31 118.52 3k5m h LEU 89 Ca 0.07 -0.16 -0.01 0.00 0.84 0.00 0.00 57.88 58.61 3k5m h LEU 89 Cb 0.34 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 41.12 3k5m h LEU 89 CO 0.01 0.76 0.49 0.24 -0.34 0.00 0.00 178.44 179.60 3k5m h MET 90 N 0.83 1.18 -0.58 1.25 2.86 -0.84 -0.88 114.93 118.76 3k5m h MET 90 Ca 0.20 -0.13 -0.06 0.00 -2.06 0.00 0.00 59.70 57.66 3k5m h MET 90 Cb 0.19 -0.24 -0.02 0.00 0.06 0.00 0.00 31.60 31.59 3k5m h MET 90 CO -0.02 0.86 0.13 -0.91 1.06 0.00 0.00 176.91 178.03 3k5m h ASN 91 N 1.19 0.88 -0.59 1.22 2.35 -0.67 -2.89 115.58 117.06 3k5m h ASN 91 Ca 0.30 -0.24 -0.03 0.00 -0.55 0.00 0.00 56.30 55.79 3k5m h ASN 91 Cb -0.00 -0.23 -0.03 0.00 0.05 0.00 0.00 38.32 38.11 3k5m h ASN 91 CO -0.05 0.89 0.26 1.88 -1.65 0.00 0.00 177.43 178.76 3k5m h TYR 92 N 0.83 0.87 -0.79 1.19 -1.99 -0.31 -2.45 116.97 114.33 3k5m h TYR 92 Ca 0.18 -0.05 -0.01 0.00 2.00 0.00 0.00 58.73 60.85 3k5m h TYR 92 Cb 0.36 -0.27 -0.04 0.00 2.00 0.00 0.00 36.73 38.78 3k5m h TYR 92 CO 0.03 0.68 0.45 1.49 -0.00 0.00 0.00 178.16 180.81 3k5m h GLU 93 N 0.81 1.08 -0.07 4.88 4.22 -1.13 0.18 114.58 124.56 3k5m h GLU 93 Ca 0.20 -0.11 -0.00 0.00 0.08 0.00 0.00 59.36 59.53 3k5m h GLU 93 Cb 0.15 -0.22 -0.00 0.00 0.50 0.00 0.00 28.75 29.18 3k5m h GLU 93 CO -0.02 0.78 0.04 -0.22 -2.18 0.00 0.00 179.01 177.41 3k5m h LYS 94 N 1.08 0.09 -0.91 1.92 1.63 -1.28 0.33 116.57 119.44 3k5m h LYS 94 Ca 0.28 -0.01 -0.02 0.00 -0.85 0.00 0.00 60.65 60.05 3k5m h LYS 94 Cb -0.00 -0.02 -0.04 0.00 -0.60 0.00 0.00 32.23 31.56 3k5m h LYS 94 CO -0.05 0.16 0.50 0.00 -3.45 0.00 0.00 179.45 176.61 3k5m h ARG 95 N 0.01 1.27 -0.14 1.90 3.08 -1.19 -0.49 114.38 118.82 3k5m h ARG 95 Ca 0.02 -0.15 -0.02 0.00 0.07 0.00 0.00 59.98 59.91 3k5m h ARG 95 Cb 0.09 -0.25 -0.01 0.00 0.08 0.00 0.00 29.97 29.89 3k5m h ARG 95 CO -0.00 0.92 0.01 -0.07 -1.07 0.00 0.00 179.97 179.76 3k5m h LEU 96 N 1.27 0.23 -0.80 3.04 3.38 -0.31 -1.03 115.31 121.09 3k5m h LEU 96 Ca 0.32 -0.29 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 3k5m h LEU 96 Cb 0.02 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 40.67 3k5m h LEU 96 CO -0.05 0.47 0.34 -0.09 0.09 0.00 0.00 178.44 179.19 3k5m h ARG 97 N -0.01 1.18 0.00 1.13 2.43 -0.84 0.18 114.38 118.45 3k5m h ARG 97 Ca 0.04 -0.20 -0.06 0.00 -0.81 0.00 0.00 59.98 58.95 3k5m h ARG 97 Cb 0.34 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 29.69 3k5m h ARG 97 CO 0.01 0.94 -0.27 0.93 -1.51 0.00 0.00 179.97 180.07 3k5m h GLU 98 N 1.15 0.00 -0.43 0.20 5.08 -1.02 -2.51 114.58 117.06 3k5m h GLU 98 Ca 0.27 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.63 3k5m h GLU 98 Cb 0.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.44 3k5m h GLU 98 CO -0.03 0.27 0.00 0.41 -1.00 0.00 0.00 179.01 178.66 3k5m n GLY 99 N -0.76 0.94 1.68 -3.84 0.00 -0.40 -4.91 105.19 97.90 3k5m n GLY 99 Ca -0.02 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.59 3k5m n GLY 99 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k5m n GLY 100 N 0.99 0.58 3.21 -0.02 0.00 -0.94 -5.04 105.19 103.95 3k5m n GLY 100 Ca 0.13 -0.81 -0.32 0.00 0.00 0.00 0.00 46.02 45.01 3k5m n GLY 100 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3k5m s VAL 101 N -2.00 2.09 0.02 1.61 1.01 0.55 -4.99 120.40 118.68 3k5m s VAL 101 Ca 0.00 -1.00 -0.30 0.00 0.00 0.00 0.00 61.98 60.68 3k5m s VAL 101 Cb 0.00 -1.81 -0.07 0.00 0.00 0.00 0.00 36.38 34.50 3k5m s VAL 101 CO 0.00 0.56 1.64 -0.89 0.00 0.00 0.00 175.10 176.41 3k5m s THR 102 N 0.49 3.30 -0.07 3.92 2.01 -1.26 -3.56 115.64 120.47 3k5m s THR 102 Ca -0.15 0.60 0.03 0.00 0.31 0.00 0.00 61.69 62.48 3k5m s THR 102 Cb -0.17 -3.39 0.01 0.00 0.01 0.00 0.00 72.50 68.96 3k5m s THR 102 CO 0.05 -0.02 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.13 3k5m s VAL 103 N 3.20 1.31 0.03 3.82 1.01 -1.26 -4.21 120.40 124.30 3k5m s VAL 103 Ca 0.73 -0.58 0.03 0.00 0.00 0.00 0.00 61.98 62.17 3k5m s VAL 103 Cb -0.37 -1.18 -0.04 0.00 0.00 0.00 0.00 36.38 34.79 3k5m s VAL 103 CO 0.31 0.40 -0.03 -0.31 0.00 0.00 0.00 175.10 175.47 3k5m s TYR 104 N 0.62 2.97 -1.98 5.22 2.02 0.45 -4.69 117.35 121.96 3k5m s TYR 104 Ca -0.15 -0.00 0.00 0.00 -0.37 0.00 0.00 57.07 56.55 3k5m s TYR 104 Cb -0.16 -1.60 0.00 0.00 -0.40 0.00 0.00 41.96 39.80 3k5m s TYR 104 CO 0.04 0.43 0.00 0.39 -1.57 0.00 0.00 175.55 174.85 3k5m n GLU 105 N 1.19 -1.33 0.02 -0.62 1.02 -1.26 -1.67 120.64 117.99 3k5m n GLU 105 Ca -0.14 1.15 0.10 0.00 -0.02 0.00 0.00 57.16 58.26 3k5m n GLU 105 Cb 0.52 -5.47 0.44 0.00 -0.02 0.00 0.00 31.44 26.92 3k5m n GLU 105 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3k5m n ALA 106 N 1.14 1.94 0.46 0.62 0.00 -1.26 -2.18 120.51 121.22 3k5m n ALA 106 Ca -0.19 -0.05 0.13 0.00 0.00 0.00 0.00 53.44 53.33 3k5m n ALA 106 Cb 0.62 -1.35 0.39 0.00 0.00 0.00 0.00 19.45 19.11 3k5m n ALA 106 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 3k5m h ASP 107 N 0.00 0.00 -3.26 0.00 2.03 -1.95 -3.45 116.42 109.80 3k5m h ASP 107 Ca 0.00 0.00 -0.57 0.00 -0.73 0.00 0.00 57.03 55.73 3k5m h ASP 107 Cb 0.38 0.00 -0.05 0.00 -0.83 0.00 0.00 39.33 38.83 3k5m h ASP 107 CO 0.00 0.00 0.97 -0.69 -1.03 0.00 0.00 179.24 178.49 3k5m s VAL 108 N -3.22 4.14 0.58 4.15 1.01 -0.93 -4.99 120.40 121.15 3k5m s VAL 108 Ca 0.08 1.26 -0.18 0.00 0.00 0.00 0.00 61.98 63.14 3k5m s VAL 108 Cb 0.10 -4.25 -0.04 0.00 0.00 0.00 0.00 36.38 32.19 3k5m s VAL 108 CO 0.58 -0.59 1.10 -0.13 0.00 0.00 0.00 175.10 176.05 3k5m s ARG 109 N 4.29 3.25 0.21 2.72 1.81 -1.26 -4.81 118.95 125.16 3k5m s ARG 109 Ca 0.55 1.43 -0.13 0.00 -1.72 0.00 0.00 55.73 55.87 3k5m s ARG 109 Cb -0.14 -2.01 0.26 0.00 -0.45 0.00 0.00 34.95 32.61 3k5m s ARG 109 CO 0.25 -0.90 1.64 -1.35 -0.68 0.00 0.00 175.30 174.26 3k5m h PRO 110 N 0.76 0.03 -0.45 3.54 0.11 -1.98 0.56 132.00 134.58 3k5m h PRO 110 Ca -0.48 -0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.59 3k5m h PRO 110 Cb 1.24 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.33 3k5m h PRO 110 CO 0.56 0.02 0.16 -1.35 -0.21 0.00 0.00 178.00 177.18 3k5m h PRO 111 N 0.03 0.69 -0.76 1.05 0.11 -1.94 -1.66 132.00 129.52 3k5m h PRO 111 Ca 0.31 -0.14 -0.04 0.00 0.11 0.00 0.00 66.00 66.24 3k5m h PRO 111 Cb 0.49 -0.10 -0.03 0.00 0.11 0.00 0.00 31.00 31.46 3k5m h PRO 111 CO -0.62 0.65 0.30 0.93 -0.21 0.00 0.00 178.00 179.05 3k5m h GLU 112 N 0.59 1.13 -0.24 1.05 3.07 -1.85 -0.55 114.58 117.79 3k5m h GLU 112 Ca 0.15 -0.21 0.02 0.00 -0.50 0.00 0.00 59.36 58.82 3k5m h GLU 112 Cb 0.23 -0.18 -0.02 0.00 -0.84 0.00 0.00 28.75 27.94 3k5m h GLU 112 CO -0.01 0.92 0.09 -0.09 -1.40 0.00 0.00 179.01 178.52 3k5m h ARG 113 N 1.10 0.19 -0.04 2.33 9.65 -0.62 0.34 114.38 127.33 3k5m h ARG 113 Ca 0.25 -0.01 -0.00 0.00 -1.10 0.00 0.00 59.98 59.12 3k5m h ARG 113 Cb 0.21 -0.04 -0.00 0.00 -1.39 0.00 0.00 29.97 28.75 3k5m h ARG 113 CO -0.02 0.13 0.01 -0.92 2.80 0.00 0.00 179.97 181.97 3k5m h TYR 114 N 0.20 0.07 -0.26 2.20 3.20 -1.00 -3.07 116.97 118.31 3k5m h TYR 114 Ca 0.10 -0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.91 3k5m h TYR 114 Cb 0.06 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.30 3k5m h TYR 114 CO -0.12 0.26 -0.04 -0.07 -1.64 0.00 0.00 178.16 176.55 3k5m h LEU 115 N -0.14 0.48 -0.76 2.82 3.38 -0.91 -3.17 115.31 117.00 3k5m h LEU 115 Ca 0.01 -0.35 0.01 0.00 0.09 0.00 0.00 57.88 57.64 3k5m h LEU 115 Cb 0.22 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.80 3k5m h LEU 115 CO -0.00 0.71 0.50 -0.03 0.09 0.00 0.00 178.44 179.71 3k5m h MET 116 N 0.24 1.01 0.00 1.13 4.05 -1.03 0.25 114.93 120.58 3k5m h MET 116 Ca 0.07 -0.06 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 3k5m h MET 116 Cb 0.49 -0.22 0.00 0.00 -0.80 0.00 0.00 31.60 31.07 3k5m h MET 116 CO 0.02 0.67 0.00 0.93 0.23 0.00 0.00 176.91 178.76 3k5m h GLU 117 N 1.03 0.00 -0.43 0.39 4.39 -1.54 -1.95 114.58 116.47 3k5m h GLU 117 Ca 0.28 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.98 3k5m h GLU 117 Cb -0.11 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.54 3k5m h GLU 117 CO -0.06 0.00 0.00 0.54 -1.16 0.00 0.00 179.01 178.33 3k5m n ARG 118 N -3.06 2.28 -2.44 2.33 1.74 -0.77 -4.91 116.66 111.83 3k5m n ARG 118 Ca 0.01 -1.96 -0.16 0.00 -0.77 0.00 0.00 57.85 54.97 3k5m n ARG 118 Cb 0.30 -1.46 0.00 0.00 -1.02 0.00 0.00 32.46 30.28 3k5m n ARG 118 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 3k5m n PHE 119 N 1.13 -0.95 -3.91 -1.55 3.72 -0.73 -4.56 117.46 110.60 3k5m n PHE 119 Ca 0.19 0.10 -0.36 0.00 -0.05 0.00 0.00 57.45 57.32 3k5m n PHE 119 Cb 0.50 -3.40 -0.07 0.00 -0.94 0.00 0.00 39.48 35.56 3k5m n PHE 119 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 3k5m s ILE 120 N -2.86 5.33 0.00 4.37 1.01 0.82 -4.80 121.20 125.07 3k5m s ILE 120 Ca 0.06 0.15 0.00 0.00 0.00 0.00 0.00 60.65 60.85 3k5m s ILE 120 Cb -0.02 -3.34 0.00 0.00 0.01 0.00 0.00 42.46 39.11 3k5m s ILE 120 CO 0.07 0.58 0.00 0.35 0.00 0.00 0.00 174.94 175.94 3k5m n THR 121 N 2.36 0.00 -0.02 2.92 -2.24 -1.26 -4.13 114.28 111.91 3k5m n THR 121 Ca -0.19 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.55 3k5m n THR 121 Cb 0.54 -0.40 -0.01 0.00 -2.10 0.00 0.00 70.33 68.36 3k5m n THR 121 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3k5m n SER 122 N -0.48 0.49 -4.73 3.42 7.64 -1.26 -4.90 113.62 113.79 3k5m n SER 122 Ca 0.00 0.04 -0.41 0.00 1.01 0.00 0.00 58.87 59.51 3k5m n SER 122 Cb 0.00 -0.10 -0.03 0.00 -1.01 0.00 0.00 64.21 63.06 3k5m n SER 122 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 3k5m s PRO 123 N -2.07 4.51 0.11 1.43 0.04 -1.26 -1.36 135.00 136.40 3k5m s PRO 123 Ca -0.05 1.81 -0.05 0.00 0.04 0.00 0.00 61.00 62.74 3k5m s PRO 123 Cb 0.02 -3.27 -0.02 0.00 0.04 0.00 0.00 34.50 31.27 3k5m s PRO 123 CO 0.06 -0.07 0.14 0.14 0.04 0.00 0.00 177.00 177.31 3k5m s VAL 124 N 0.10 0.13 -0.16 -0.36 -7.23 0.31 -0.93 120.40 112.26 3k5m s VAL 124 Ca 0.53 -1.53 -0.01 0.00 -1.81 0.00 0.00 61.98 59.16 3k5m s VAL 124 Cb -0.31 -1.67 -0.01 0.00 0.56 0.00 0.00 36.38 34.95 3k5m s VAL 124 CO 0.35 -0.59 -0.12 0.86 -0.31 0.00 0.00 175.10 175.29 3k5m s TRP 125 N -3.94 2.84 -0.01 2.82 -0.11 -0.10 -0.52 118.94 119.92 3k5m s TRP 125 Ca 0.13 -0.87 0.06 0.00 1.22 0.00 0.00 56.10 56.64 3k5m s TRP 125 Cb 0.06 -1.92 -0.03 0.00 -1.50 0.00 0.00 33.47 30.08 3k5m s TRP 125 CO -0.05 -0.39 -0.20 0.54 -4.62 0.00 0.00 176.95 172.23 3k5m s VAL 126 N 0.79 2.62 0.03 5.86 0.11 0.57 -2.07 120.40 128.32 3k5m s VAL 126 Ca -0.04 -0.99 0.02 0.00 -2.93 0.00 0.00 61.98 58.04 3k5m s VAL 126 Cb -0.15 -2.01 -0.02 0.00 -1.53 0.00 0.00 36.38 32.67 3k5m s VAL 126 CO 0.01 0.52 -0.08 -1.61 -3.33 0.00 0.00 175.10 170.61 3k5m s GLU 127 N -0.88 0.54 0.00 1.54 2.02 -0.99 -0.43 118.70 120.51 3k5m s GLU 127 Ca 0.12 -0.63 0.00 0.00 0.02 0.00 0.00 54.97 54.48 3k5m s GLU 127 Cb -0.10 -0.39 0.00 0.00 0.10 0.00 0.00 34.13 33.74 3k5m s GLU 127 CO 0.01 0.08 0.00 0.41 0.02 0.00 0.00 175.26 175.78 3k5m n GLY 128 N 1.84 -1.10 3.66 -1.39 0.00 -0.24 -1.26 105.19 106.71 3k5m n GLY 128 Ca -0.20 -1.13 -0.35 0.00 0.00 0.00 0.00 46.02 44.34 3k5m n GLY 128 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3k5m s ASP 129 N -4.00 5.62 0.21 1.61 1.11 -0.51 0.14 116.67 120.85 3k5m s ASP 129 Ca 0.00 0.12 -0.30 0.00 0.18 0.00 0.00 52.55 52.55 3k5m s ASP 129 Cb 0.00 -1.90 -0.09 0.00 1.07 0.00 0.00 42.92 42.00 3k5m s ASP 129 CO 0.00 0.23 1.35 -0.04 1.18 0.00 0.00 175.17 177.89 3k5m s MET 130 N 0.04 4.35 -0.29 8.23 -1.94 -0.81 -1.59 119.30 127.29 3k5m s MET 130 Ca 0.05 2.13 -0.00 0.00 -1.71 0.00 0.00 55.69 56.16 3k5m s MET 130 Cb -0.12 -3.17 0.14 0.00 2.01 0.00 0.00 34.83 33.69 3k5m s MET 130 CO 0.01 -0.30 0.30 -1.58 -0.01 0.00 0.00 175.02 173.44 3k5m s HIS 131 N 0.07 -0.48 -1.45 -0.03 5.04 0.83 -4.81 115.29 114.46 3k5m s HIS 131 Ca 0.57 -0.19 -0.10 0.00 -1.54 0.00 0.00 55.06 53.81 3k5m s HIS 131 Cb -0.38 -0.45 0.05 0.00 0.04 0.00 0.00 32.58 31.85 3k5m s HIS 131 CO 0.40 -0.93 0.96 0.09 -2.34 0.00 0.00 174.74 172.92 3k5m n ASN 132 N 5.26 -4.27 0.00 9.88 3.02 -1.26 -1.76 115.26 126.13 3k5m n ASN 132 Ca -0.01 -0.74 0.00 0.00 -0.03 0.00 0.00 54.58 53.80 3k5m n ASN 132 Cb 0.46 -4.15 0.00 0.00 -0.61 0.00 0.00 39.78 35.48 3k5m n ASN 132 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3k5m n GLY 133 N -1.71 0.79 3.45 7.41 0.00 -1.26 -5.03 105.19 108.84 3k5m n GLY 133 Ca -0.04 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.76 3k5m n GLY 133 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3k5m s THR 134 N -3.08 1.77 -0.14 2.61 -4.23 -0.72 -4.54 115.64 107.31 3k5m s THR 134 Ca 0.00 -2.14 -0.02 0.00 -1.18 0.00 0.00 61.69 58.34 3k5m s THR 134 Cb 0.00 -2.48 -0.02 0.00 1.34 0.00 0.00 72.50 71.33 3k5m s THR 134 CO 0.00 -0.28 -0.06 -0.63 -0.54 0.00 0.00 174.62 173.10 3k5m s ILE 135 N -2.93 3.67 0.17 2.99 -1.09 -0.43 -0.12 121.20 123.47 3k5m s ILE 135 Ca 0.30 -0.45 0.07 0.00 -2.23 0.00 0.00 60.65 58.34 3k5m s ILE 135 Cb 0.03 -2.58 -0.04 0.00 -1.58 0.00 0.00 42.46 38.29 3k5m s ILE 135 CO 0.13 0.52 -0.14 0.68 -1.23 0.00 0.00 174.94 174.90 3k5m s VAL 136 N 0.18 1.55 -1.46 2.92 -7.23 -0.62 0.62 120.40 116.36 3k5m s VAL 136 Ca -0.03 -2.08 -0.10 0.00 -1.81 0.00 0.00 61.98 57.96 3k5m s VAL 136 Cb -0.14 -1.90 0.06 0.00 0.56 0.00 0.00 36.38 34.95 3k5m s VAL 136 CO 0.03 -0.58 0.77 0.59 -0.31 0.00 0.00 175.10 175.60 3k5m n ASN 137 N -0.14 -5.00 -4.84 4.85 3.02 -0.09 -1.42 115.26 111.63 3k5m n ASN 137 Ca -0.10 -0.52 -0.32 0.00 -0.03 0.00 0.00 54.58 53.61 3k5m n ASN 137 Cb 0.60 -4.03 -0.02 0.00 -0.61 0.00 0.00 39.78 35.72 3k5m n ASN 137 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3k5m s ALA 138 N -3.16 3.02 0.06 5.41 0.00 -0.31 -4.53 121.76 122.25 3k5m s ALA 138 Ca 0.49 0.17 0.04 0.00 0.00 0.00 0.00 51.96 52.66 3k5m s ALA 138 Cb -0.24 -3.13 -0.03 0.00 0.00 0.00 0.00 23.12 19.72 3k5m s ALA 138 CO 0.61 -0.39 -0.11 -0.98 0.00 0.00 0.00 175.76 174.89 3k5m s ARG 139 N -4.24 0.70 0.05 0.00 1.70 -0.39 -3.98 118.95 112.80 3k5m s ARG 139 Ca 0.59 -0.91 0.05 0.00 -0.47 0.00 0.00 55.73 54.99 3k5m s ARG 139 Cb -0.11 -0.56 -0.03 0.00 -0.57 0.00 0.00 34.95 33.68 3k5m s ARG 139 CO 0.36 0.11 -0.14 -0.51 -1.08 0.00 0.00 175.30 174.03 3k5m s LEU 140 N -1.79 2.22 0.07 -1.89 1.43 -1.26 -2.35 118.68 115.11 3k5m s LEU 140 Ca -0.04 -0.53 0.06 0.00 -1.03 0.00 0.00 54.13 52.59 3k5m s LEU 140 Cb -0.09 -0.58 -0.03 0.00 0.03 0.00 0.00 46.19 45.52 3k5m s LEU 140 CO 0.01 -0.01 -0.15 -0.54 0.23 0.00 0.00 176.35 175.89 3k5m s LYS 141 N -1.40 0.89 0.23 1.70 1.02 -0.88 -4.98 119.74 116.32 3k5m s LYS 141 Ca 0.00 -0.95 -0.30 0.00 0.02 0.00 0.00 55.97 54.74 3k5m s LYS 141 Cb -0.09 -0.93 -0.10 0.00 -0.52 0.00 0.00 37.83 36.19 3k5m s LYS 141 CO 0.02 0.21 1.47 -1.25 -0.92 0.00 0.00 175.35 174.88 3k5m s PRO 142 N -1.66 4.25 -0.58 -1.68 0.04 -1.26 -0.92 135.00 133.19 3k5m s PRO 142 Ca -0.00 2.32 0.05 0.00 0.04 0.00 0.00 61.00 63.41 3k5m s PRO 142 Cb -0.10 -3.12 0.17 0.00 0.04 0.00 0.00 34.50 31.50 3k5m s PRO 142 CO 0.02 -0.47 0.44 1.58 0.04 0.00 0.00 177.00 178.62 3k5m n HIS 143 N 2.66 1.45 -0.23 0.56 -0.00 -0.11 -4.68 115.22 114.87 3k5m n HIS 143 Ca 0.08 -3.87 0.01 0.00 0.46 0.00 0.00 57.72 54.40 3k5m n HIS 143 Cb 0.40 -0.25 0.09 0.00 -0.12 0.00 0.00 29.99 30.11 3k5m n HIS 143 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 3k5m h PRO 144 N 5.41 0.02 -0.00 1.57 0.13 -1.93 -2.47 132.00 134.73 3k5m h PRO 144 Ca 0.20 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.33 3k5m h PRO 144 Cb 0.82 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.94 3k5m h PRO 144 CO 0.57 0.02 -0.10 -0.25 -0.23 0.00 0.00 178.00 178.01 3k5m n ASP 145 N -5.42 0.47 -4.75 1.44 10.43 -1.26 -4.87 116.55 112.59 3k5m n ASP 145 Ca 0.09 -0.61 -0.41 0.00 2.57 0.00 0.00 54.79 56.44 3k5m n ASP 145 Cb 0.37 -0.07 -0.04 0.00 1.84 0.00 0.00 41.12 43.22 3k5m n ASP 145 CO 0.00 0.00 0.00 -0.47 -1.07 0.00 0.00 177.20 175.66 3k5m s TYR 146 N -2.44 3.44 -0.05 1.24 5.04 -0.93 -5.03 117.35 118.61 3k5m s TYR 146 Ca 0.30 1.53 0.01 0.00 -2.44 0.00 0.00 57.07 56.46 3k5m s TYR 146 Cb 0.20 -3.40 0.02 0.00 0.35 0.00 0.00 41.96 39.13 3k5m s TYR 146 CO 0.47 -1.03 -0.05 1.03 -1.34 0.00 0.00 175.55 174.62 3k5m s ARG 147 N -0.86 0.96 0.25 4.97 1.81 -1.26 -4.78 118.95 120.04 3k5m s ARG 147 Ca 0.49 -0.14 -0.09 0.00 -1.72 0.00 0.00 55.73 54.27 3k5m s ARG 147 Cb -0.33 -0.96 -0.07 0.00 -0.45 0.00 0.00 34.95 33.14 3k5m s ARG 147 CO 0.40 -0.09 0.57 -1.25 -0.68 0.00 0.00 175.30 174.25 3k5m s PRO 148 N 1.00 3.79 0.28 3.54 0.04 -1.26 -5.01 135.00 137.37 3k5m s PRO 148 Ca -0.10 0.27 -0.23 0.00 0.04 0.00 0.00 61.00 60.98 3k5m s PRO 148 Cb -0.14 -2.62 -0.09 0.00 0.04 0.00 0.00 34.50 31.69 3k5m s PRO 148 CO -0.00 0.27 0.85 -1.25 0.04 0.00 0.00 177.00 176.91 3k5m s PRO 149 N -3.00 4.45 0.05 0.56 0.05 -1.26 -5.05 135.00 130.81 3k5m s PRO 149 Ca 0.48 1.14 0.05 0.00 0.05 0.00 0.00 61.00 62.71 3k5m s PRO 149 Cb -0.11 -2.85 -0.03 0.00 0.05 0.00 0.00 34.50 31.57 3k5m s PRO 149 CO 0.23 0.34 -0.14 -0.51 0.05 0.00 0.00 177.00 176.96 3k5m s LEU 150 N -1.99 2.22 -0.15 -3.56 1.43 -1.26 -4.75 118.68 110.62 3k5m s LEU 150 Ca 0.47 -0.53 -0.05 0.00 -1.03 0.00 0.00 54.13 52.98 3k5m s LEU 150 Cb -0.18 -0.58 -0.04 0.00 0.03 0.00 0.00 46.19 45.42 3k5m s LEU 150 CO 0.23 -0.01 0.03 -0.54 0.23 0.00 0.00 176.35 176.29 3k5m s LYS 151 N -1.42 3.66 0.22 1.70 1.02 -1.26 -4.98 119.74 118.68 3k5m s LYS 151 Ca 0.00 -0.38 0.09 0.00 0.02 0.00 0.00 55.97 55.71 3k5m s LYS 151 Cb -0.09 -3.06 -0.04 0.00 -0.52 0.00 0.00 37.83 34.12 3k5m s LYS 151 CO 0.02 0.40 -0.05 -1.58 -0.92 0.00 0.00 175.35 173.22 3k5m s TRP 152 N -0.02 2.66 -0.09 3.18 0.51 -1.26 -0.57 118.94 123.35 3k5m s TRP 152 Ca 0.05 -0.22 0.00 0.00 -2.12 0.00 0.00 56.10 53.81 3k5m s TRP 152 Cb -0.12 -1.24 0.02 0.00 -0.81 0.00 0.00 33.47 31.32 3k5m s TRP 152 CO 0.01 0.57 -0.08 0.54 -0.51 0.00 0.00 176.95 177.48 3k5m s VAL 153 N -2.01 0.98 -0.30 4.03 0.11 0.20 -1.99 120.40 121.42 3k5m s VAL 153 Ca 0.28 -0.30 -0.14 0.00 -2.93 0.00 0.00 61.98 58.90 3k5m s VAL 153 Cb -0.08 -0.97 -0.03 0.00 -1.53 0.00 0.00 36.38 33.77 3k5m s VAL 153 CO 0.18 0.35 0.30 -0.55 -3.33 0.00 0.00 175.10 172.05 3k5m s SER 154 N 1.39 6.15 -0.07 3.54 0.15 0.21 -0.56 113.70 124.51 3k5m s SER 154 Ca -0.01 0.00 0.05 0.00 0.70 0.00 0.00 55.95 56.69 3k5m s SER 154 Cb -0.14 -2.17 -0.01 0.00 -1.71 0.00 0.00 66.02 61.99 3k5m s SER 154 CO -0.04 -0.19 -0.23 -0.51 1.20 0.00 0.00 173.24 173.47 3k5m s ILE 155 N 1.94 2.18 -0.01 6.45 2.07 -0.53 -0.84 121.20 132.45 3k5m s ILE 155 Ca 0.11 -1.01 -0.00 0.00 -1.41 0.00 0.00 60.65 58.34 3k5m s ILE 155 Cb -0.16 -1.81 0.02 0.00 0.13 0.00 0.00 42.46 40.63 3k5m s ILE 155 CO 0.11 0.57 0.03 -0.62 -1.91 0.00 0.00 174.94 173.11 3k5m s ASP 156 N -0.05 0.03 0.17 4.50 2.15 -0.83 -4.64 116.67 117.99 3k5m s ASP 156 Ca -0.06 0.04 0.09 0.00 0.43 0.00 0.00 52.55 53.05 3k5m s ASP 156 Cb -0.15 -0.02 -0.04 0.00 -0.30 0.00 0.00 42.92 42.42 3k5m s ASP 156 CO 0.05 -0.07 -0.13 0.27 -0.17 0.00 0.00 175.17 175.12 3k5m s ILE 157 N 0.59 3.05 -0.01 4.11 -4.36 -1.26 0.12 121.20 123.44 3k5m s ILE 157 Ca -0.05 -1.65 0.06 0.00 -0.26 0.00 0.00 60.65 58.76 3k5m s ILE 157 Cb -0.07 -2.48 -0.02 0.00 1.25 0.00 0.00 42.46 41.14 3k5m s ILE 157 CO -0.02 -0.06 -0.21 -1.61 0.24 0.00 0.00 174.94 173.29 3k5m s GLU 158 N -2.65 1.62 0.24 0.37 0.41 -0.99 -5.02 118.70 112.69 3k5m s GLU 158 Ca 0.23 -0.77 0.01 0.00 -0.41 0.00 0.00 54.97 54.03 3k5m s GLU 158 Cb -0.09 -1.60 -0.04 0.00 -1.78 0.00 0.00 34.13 30.63 3k5m s GLU 158 CO 0.14 0.43 0.18 0.95 -0.49 0.00 0.00 175.26 176.47 3k5m s THR 159 N -0.53 0.00 0.95 3.63 -4.23 -1.26 -1.23 115.64 112.96 3k5m s THR 159 Ca 0.08 -1.98 -0.13 0.00 -1.18 0.00 0.00 61.69 58.48 3k5m s THR 159 Cb -0.08 -2.50 0.16 0.00 1.34 0.00 0.00 72.50 71.42 3k5m s THR 159 CO -0.00 0.00 1.13 0.42 -0.54 0.00 0.00 174.62 175.62 3k5m s THR 160 N -3.94 1.99 -0.62 3.99 -4.23 0.61 -4.85 115.64 108.59 3k5m s THR 160 Ca 0.39 0.00 0.14 0.00 -1.18 0.00 0.00 61.69 61.04 3k5m s THR 160 Cb 0.05 -2.68 0.14 0.00 1.34 0.00 0.00 72.50 71.36 3k5m s THR 160 CO 0.17 0.00 1.44 -2.11 -0.54 0.00 0.00 174.62 173.57 3k5m n ARG 161 N -3.91 0.09 -0.65 3.99 1.85 -1.26 -0.79 116.66 115.97 3k5m n ARG 161 Ca 0.06 0.50 0.08 0.00 -1.00 0.00 0.00 57.85 57.49 3k5m n ARG 161 Cb 0.59 -1.73 0.34 0.00 -1.05 0.00 0.00 32.46 30.60 3k5m n ARG 161 CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 177.63 178.34 3k5m n HIS 162 N -1.90 1.51 -0.95 2.89 8.25 -1.26 -4.95 115.22 118.80 3k5m n HIS 162 Ca 0.00 -0.73 0.00 0.00 -0.26 0.00 0.00 57.72 56.74 3k5m n HIS 162 Cb 0.08 -0.36 0.00 0.00 1.12 0.00 0.00 29.99 30.83 3k5m n HIS 162 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3k5m n GLY 163 N 0.42 0.77 3.69 -1.41 0.00 0.03 -5.01 105.19 103.69 3k5m n GLY 163 Ca 0.24 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.86 3k5m n GLY 163 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3k5m s GLU 164 N -0.05 4.36 0.25 1.61 2.02 -1.26 -4.75 118.70 120.88 3k5m s GLU 164 Ca 0.00 0.87 -0.31 0.00 0.02 0.00 0.00 54.97 55.55 3k5m s GLU 164 Cb 0.00 -3.51 -0.13 0.00 0.10 0.00 0.00 34.13 30.60 3k5m s GLU 164 CO 0.00 -0.10 1.53 1.28 0.02 0.00 0.00 175.26 177.99 3k5m n LEU 165 N 4.41 3.67 -0.11 1.80 4.77 -1.26 -0.28 117.00 129.99 3k5m n LEU 165 Ca 0.00 1.13 -0.23 0.00 -0.03 0.00 0.00 56.01 56.88 3k5m n LEU 165 Cb 0.50 -1.51 -0.08 0.00 -2.33 0.00 0.00 43.42 40.01 3k5m n LEU 165 CO 0.47 -0.16 -1.22 -1.22 -1.33 0.00 0.00 177.39 173.93 3k5m n TYR 166 N 2.38 0.00 -3.46 -1.77 4.01 -0.37 -4.84 117.16 113.11 3k5m n TYR 166 Ca 0.12 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.71 3k5m n TYR 166 Cb 0.33 -0.77 -0.04 0.00 -0.31 0.00 0.00 39.34 38.56 3k5m n TYR 166 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3k5m s ILE 168 N -2.72 2.26 -0.15 0.00 1.01 0.47 -2.35 121.20 119.72 3k5m s ILE 168 Ca -0.04 -0.93 -0.06 0.00 0.00 0.00 0.00 60.65 59.63 3k5m s ILE 168 Cb -0.01 -1.90 -0.04 0.00 0.01 0.00 0.00 42.46 40.53 3k5m s ILE 168 CO -0.04 0.55 0.05 -0.83 0.00 0.00 0.00 174.94 174.66 3k5m s GLY 169 N 0.53 1.91 -0.08 6.18 0.00 0.12 -0.17 107.32 115.81 3k5m s GLY 169 Ca -0.13 -0.75 0.00 0.00 0.00 0.00 0.00 44.72 43.84 3k5m s GLY 169 CO 0.04 -0.18 -0.06 1.08 0.00 0.00 0.00 173.10 173.98 3k5m s LEU 170 N -0.14 1.22 -0.03 0.66 1.43 0.56 -1.97 118.68 120.40 3k5m s LEU 170 Ca 0.06 -0.22 0.02 0.00 -1.03 0.00 0.00 54.13 52.97 3k5m s LEU 170 Cb -0.12 -0.66 0.01 0.00 0.03 0.00 0.00 46.19 45.44 3k5m s LEU 170 CO 0.01 -0.08 -0.09 -0.70 0.23 0.00 0.00 176.35 175.73 3k5m s GLU 171 N 1.31 1.02 0.00 1.70 2.12 -0.02 -1.24 118.70 123.59 3k5m s GLU 171 Ca -0.04 -0.29 0.00 0.00 0.36 0.00 0.00 54.97 55.00 3k5m s GLU 171 Cb -0.14 -0.94 0.00 0.00 0.26 0.00 0.00 34.13 33.31 3k5m s GLU 171 CO -0.03 0.08 0.00 0.41 -0.54 0.00 0.00 175.26 175.18 3k5m n GLY 172 N 3.44 1.96 2.53 -1.50 0.00 0.68 0.66 105.19 112.95 3k5m n GLY 172 Ca -0.20 -2.14 -0.21 0.00 0.00 0.00 0.00 46.02 43.47 3k5m n GLY 172 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k5m n GLY 174 N -1.13 0.44 3.48 0.00 0.00 -1.26 -5.01 105.19 101.71 3k5m n GLY 174 Ca -0.22 -0.13 -0.30 0.00 0.00 0.00 0.00 46.02 45.38 3k5m n GLY 174 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3k5m s GLN 175 N -0.87 1.90 -0.26 1.61 -1.52 0.27 -5.10 119.66 115.70 3k5m s GLN 175 Ca 0.00 -1.10 -0.03 0.00 -1.95 0.00 0.00 55.36 52.27 3k5m s GLN 175 Cb 0.00 -2.15 0.09 0.00 -0.22 0.00 0.00 33.01 30.73 3k5m s GLN 175 CO 0.00 0.50 0.10 1.03 -0.25 0.00 0.00 175.29 176.67 3k5m s ARG 176 N -1.91 0.34 0.00 2.91 0.52 -1.26 -0.23 118.95 119.32 3k5m s ARG 176 Ca 0.17 -0.55 -0.08 0.00 -0.52 0.00 0.00 55.73 54.75 3k5m s ARG 176 Cb -0.11 -1.59 0.00 0.00 0.52 0.00 0.00 34.95 33.77 3k5m s ARG 176 CO 0.09 -0.90 0.15 -1.50 0.02 0.00 0.00 175.30 173.16 3k5m s ILE 177 N 1.97 0.08 -0.06 1.52 2.07 -0.37 -2.04 121.20 124.36 3k5m s ILE 177 Ca 0.06 -0.68 0.02 0.00 -1.41 0.00 0.00 60.65 58.65 3k5m s ILE 177 Cb -0.16 -0.45 0.01 0.00 0.13 0.00 0.00 42.46 41.98 3k5m s ILE 177 CO -0.25 -0.37 -0.13 -0.69 -1.91 0.00 0.00 174.94 171.58 3k5m s VAL 178 N -1.40 1.19 -0.23 4.00 1.01 -0.56 -0.32 120.40 124.08 3k5m s VAL 178 Ca -0.15 -0.52 -0.14 0.00 0.00 0.00 0.00 61.98 61.18 3k5m s VAL 178 Cb -0.07 -1.08 -0.04 0.00 0.00 0.00 0.00 36.38 35.19 3k5m s VAL 178 CO 0.02 0.37 0.30 -0.31 0.00 0.00 0.00 175.10 175.48 3k5m s TYR 179 N 0.60 3.32 -0.05 5.22 2.02 0.76 -1.72 117.35 127.51 3k5m s TYR 179 Ca -0.14 0.42 0.06 0.00 -0.37 0.00 0.00 57.07 57.04 3k5m s TYR 179 Cb -0.16 -2.44 -0.01 0.00 -0.40 0.00 0.00 41.96 38.96 3k5m s TYR 179 CO 0.04 -0.03 -0.21 1.41 -1.57 0.00 0.00 175.55 175.19 3k5m s MET 180 N 1.37 2.13 0.11 -0.62 -2.45 -0.01 -0.40 119.30 119.44 3k5m s MET 180 Ca 0.14 -0.77 -0.31 0.00 -1.25 0.00 0.00 55.69 53.50 3k5m s MET 180 Cb -0.15 -1.85 -0.07 0.00 1.25 0.00 0.00 34.83 34.01 3k5m s MET 180 CO 0.07 0.34 1.25 -1.17 1.05 0.00 0.00 175.02 176.57 3k5m s LEU 181 N -0.14 4.39 0.98 4.11 2.96 -0.76 -1.66 118.68 128.56 3k5m s LEU 181 Ca -0.02 2.17 -0.15 0.00 -0.22 0.00 0.00 54.13 55.91 3k5m s LEU 181 Cb -0.12 -3.59 0.19 0.00 0.50 0.00 0.00 46.19 43.17 3k5m s LEU 181 CO 0.02 -0.50 1.21 -0.83 -1.32 0.00 0.00 176.35 174.94 3k5m s GLY 182 N 0.79 1.66 0.77 7.98 0.00 0.31 -4.79 107.32 114.05 3k5m s GLY 182 Ca 0.59 -0.90 -0.12 0.00 0.00 0.00 0.00 44.72 44.29 3k5m s GLY 182 CO 0.32 -0.20 1.11 2.56 0.00 0.00 0.00 173.10 176.89 3k5m s PRO 183 N -5.59 2.34 0.65 2.90 0.04 -1.26 -4.93 135.00 129.14 3k5m s PRO 183 Ca 0.69 0.49 -0.17 0.00 0.04 0.00 0.00 61.00 62.04 3k5m s PRO 183 Cb -0.09 -1.96 -0.01 0.00 0.04 0.00 0.00 34.50 32.48 3k5m s PRO 183 CO 0.53 -1.41 1.24 -1.21 0.04 0.00 0.00 177.00 176.19 3k5m s GLU 184 N -5.29 2.61 0.32 4.56 8.01 -1.26 -5.04 118.70 122.61 3k5m s GLU 184 Ca 0.60 1.88 -0.15 0.00 0.01 0.00 0.00 54.97 57.31 3k5m s GLU 184 Cb -0.13 -1.88 0.02 0.00 -4.31 0.00 0.00 34.13 27.84 3k5m s GLU 184 CO 0.53 -1.50 0.66 0.54 0.01 0.00 0.00 175.26 175.49 3k5m s ASN 185 N -1.66 0.03 0.76 -0.19 6.03 -1.26 -5.10 114.94 113.54 3k5m s ASN 185 Ca 0.78 -0.98 0.00 0.00 -1.03 0.00 0.00 52.86 51.63 3k5m s ASN 185 Cb -0.32 0.73 0.00 0.00 -3.03 0.00 0.00 41.25 38.63 3k5m s ASN 185 CO 0.39 -1.42 0.00 0.61 -2.03 0.00 0.00 177.10 174.65 3k5m n GLY 186 N -0.48 -0.54 2.97 0.45 0.00 -1.26 -4.50 105.19 101.82 3k5m n GLY 186 Ca -0.04 -1.03 -0.28 0.00 0.00 0.00 0.00 46.02 44.66 3k5m n GLY 186 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3k5m s ASP 187 N -4.00 2.40 -0.02 1.61 -1.08 -1.26 -5.00 116.67 109.32 3k5m s ASP 187 Ca 0.00 -0.39 0.18 0.00 -0.52 0.00 0.00 52.55 51.82 3k5m s ASP 187 Cb 0.00 -1.00 0.55 0.00 -1.46 0.00 0.00 42.92 41.01 3k5m s ASP 187 CO 0.00 -0.08 1.45 0.00 0.52 0.00 0.00 175.17 177.06 3k5m n ALA 188 N 4.79 2.53 0.15 3.66 0.00 -1.26 -4.50 120.51 125.88 3k5m n ALA 188 Ca -0.15 -1.11 0.05 0.00 0.00 0.00 0.00 53.44 52.23 3k5m n ALA 188 Cb 0.50 -0.97 0.51 0.00 0.00 0.00 0.00 19.45 19.49 3k5m n ALA 188 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3k5m h SER 189 N 3.50 0.18 -0.73 0.00 0.87 -2.01 -2.62 113.55 112.75 3k5m h SER 189 Ca 0.00 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.55 3k5m h SER 189 Cb 0.90 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.81 3k5m h SER 189 CO 0.04 0.20 0.00 -1.20 -0.53 0.00 0.00 176.83 175.34 3k5m n SER 190 N -4.44 4.20 -4.75 6.23 7.64 -1.26 -4.95 113.62 116.29 3k5m n SER 190 Ca -0.01 -2.11 -0.41 0.00 1.01 0.00 0.00 58.87 57.35 3k5m n SER 190 Cb 0.13 -0.52 -0.04 0.00 -1.01 0.00 0.00 64.21 62.77 3k5m n SER 190 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3k5m s LEU 191 N -1.21 4.51 0.00 -3.43 1.43 -0.99 -4.93 118.68 114.06 3k5m s LEU 191 Ca 0.50 2.18 0.16 0.00 -1.03 0.00 0.00 54.13 55.94 3k5m s LEU 191 Cb 0.28 -3.61 0.46 0.00 0.03 0.00 0.00 46.19 43.34 3k5m s LEU 191 CO 0.32 -0.21 1.38 -0.90 0.23 0.00 0.00 176.35 177.16 3k5m n ASP 192 N 1.95 2.70 -4.05 2.29 5.68 -1.26 -4.90 116.55 118.96 3k5m n ASP 192 Ca 0.01 -1.99 -0.20 0.00 -0.50 0.00 0.00 54.79 52.11 3k5m n ASP 192 Cb 0.45 -0.33 -0.09 0.00 -1.14 0.00 0.00 41.12 40.01 3k5m n ASP 192 CO 0.00 0.00 0.00 0.72 -1.33 0.00 0.00 177.20 176.59 3k5m s PHE 193 N -1.34 1.68 -0.05 2.11 -0.12 -1.26 -5.11 117.98 113.89 3k5m s PHE 193 Ca 0.34 -1.32 -0.24 0.00 -0.05 0.00 0.00 56.93 55.66 3k5m s PHE 193 Cb 0.18 -0.96 -0.04 0.00 -0.63 0.00 0.00 43.02 41.57 3k5m s PHE 193 CO 0.23 -0.43 0.72 -2.00 -0.05 0.00 0.00 175.22 173.69 3k5m s GLU 194 N -3.79 4.44 -0.21 1.99 2.12 -0.87 -5.01 118.70 117.37 3k5m s GLU 194 Ca 0.33 0.92 0.02 0.00 0.36 0.00 0.00 54.97 56.60 3k5m s GLU 194 Cb 0.05 -3.43 0.04 0.00 0.26 0.00 0.00 34.13 31.04 3k5m s GLU 194 CO 0.17 0.10 -0.15 -1.17 -0.54 0.00 0.00 175.26 173.68 3k5m s LEU 195 N 0.65 2.53 -0.09 2.70 2.96 -1.26 -1.49 118.68 124.68 3k5m s LEU 195 Ca 0.38 -0.92 0.05 0.00 -0.22 0.00 0.00 54.13 53.42 3k5m s LEU 195 Cb -0.18 -1.42 -0.00 0.00 0.50 0.00 0.00 46.19 45.08 3k5m s LEU 195 CO 0.19 -0.09 -0.24 -0.70 -1.32 0.00 0.00 176.35 174.19 3k5m s GLU 196 N 1.27 2.89 0.39 1.98 2.12 -0.70 -5.01 118.70 121.64 3k5m s GLU 196 Ca -0.01 -0.88 0.04 0.00 0.36 0.00 0.00 54.97 54.48 3k5m s GLU 196 Cb -0.16 -2.26 -0.00 0.00 0.26 0.00 0.00 34.13 31.97 3k5m s GLU 196 CO -0.09 0.25 0.56 0.71 -0.54 0.00 0.00 175.26 176.14 3k5m s TYR 197 N 0.17 3.11 -0.00 5.30 2.02 -1.26 -0.83 117.35 125.86 3k5m s TYR 197 Ca -0.14 -0.07 -0.05 0.00 -0.37 0.00 0.00 57.07 56.44 3k5m s TYR 197 Cb -0.17 -2.17 -0.00 0.00 -0.40 0.00 0.00 41.96 39.23 3k5m s TYR 197 CO 0.07 -0.20 0.10 0.14 -1.57 0.00 0.00 175.55 174.09 3k5m s VAL 198 N -2.34 0.07 0.25 0.71 -7.23 -0.66 -4.87 120.40 106.33 3k5m s VAL 198 Ca 0.47 -0.58 0.09 0.00 -1.81 0.00 0.00 61.98 60.15 3k5m s VAL 198 Cb -0.10 -0.34 -0.05 0.00 0.56 0.00 0.00 36.38 36.46 3k5m s VAL 198 CO 0.34 -0.32 1.57 0.00 -0.31 0.00 0.00 175.10 176.38 3k5m h ALA 199 N 4.75 0.90 -2.52 1.32 0.00 -1.92 0.91 119.26 122.70 3k5m h ALA 199 Ca -0.30 -0.58 -0.19 0.00 0.00 0.00 0.00 54.91 53.84 3k5m h ALA 199 Cb 1.20 -0.10 -0.17 0.00 0.00 0.00 0.00 17.79 18.72 3k5m h ALA 199 CO 0.41 0.79 -0.70 -1.54 0.00 0.00 0.00 179.25 178.22 3k5m s SER 200 N -6.86 0.71 0.21 0.00 1.04 -1.26 -4.60 113.70 102.94 3k5m s SER 200 Ca -0.02 -0.84 -0.09 0.00 0.48 0.00 0.00 55.95 55.48 3k5m s SER 200 Cb 0.12 0.12 0.22 0.00 0.10 0.00 0.00 66.02 66.58 3k5m s SER 200 CO 0.78 -0.44 1.84 -0.09 0.98 0.00 0.00 173.24 176.31 3k5m h ARG 201 N 3.57 0.82 -0.00 4.02 9.65 -1.95 -0.64 114.38 129.85 3k5m h ARG 201 Ca -0.34 -0.05 -0.01 0.00 -1.10 0.00 0.00 59.98 58.48 3k5m h ARG 201 Cb 1.17 -0.19 -0.00 0.00 -1.39 0.00 0.00 29.97 29.56 3k5m h ARG 201 CO 0.57 0.54 -0.02 -1.00 2.80 0.00 0.00 179.97 182.86 3k5m h PRO 202 N 0.85 0.01 0.00 0.20 0.13 -1.97 -0.94 132.00 130.28 3k5m h PRO 202 Ca 0.30 -0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.38 3k5m h PRO 202 Cb 0.07 -0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.19 3k5m h PRO 202 CO -0.13 0.03 -0.20 1.96 -0.23 0.00 0.00 178.00 179.43 3k5m h GLN 203 N 0.01 0.00 -0.64 0.86 4.20 -1.53 -2.28 115.11 115.72 3k5m h GLN 203 Ca 0.00 0.00 0.02 0.00 0.06 0.00 0.00 58.65 58.73 3k5m h GLN 203 Cb 0.05 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 27.79 3k5m h GLN 203 CO 0.00 0.20 0.41 -0.07 -0.67 0.00 0.00 178.83 178.71 3k5m h LEU 204 N 0.00 0.70 -0.96 1.46 3.38 -1.14 -1.10 115.31 117.65 3k5m h LEU 204 Ca -0.00 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.90 3k5m h LEU 204 Cb 0.37 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 3k5m h LEU 204 CO 0.03 0.50 0.13 -0.07 0.09 0.00 0.00 178.44 179.12 3k5m h LEU 205 N 0.83 0.84 -0.74 1.67 3.38 -1.51 -2.13 115.31 117.65 3k5m h LEU 205 Ca 0.25 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 3k5m h LEU 205 Cb -0.04 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.45 3k5m h LEU 205 CO -0.08 0.82 0.39 -0.33 0.09 0.00 0.00 178.44 179.34 3k5m h GLU 206 N 0.86 1.04 -0.71 1.13 5.08 -0.90 0.13 114.58 121.21 3k5m h GLU 206 Ca 0.19 -0.13 -0.06 0.00 -1.00 0.00 0.00 59.36 58.36 3k5m h GLU 206 Cb 0.32 -0.20 -0.03 0.00 0.50 0.00 0.00 28.75 29.34 3k5m h GLU 206 CO 0.00 0.79 0.21 0.87 -1.00 0.00 0.00 179.01 179.88 3k5m h LYS 207 N 1.03 1.11 -0.51 2.33 1.79 -1.03 -1.11 116.57 120.16 3k5m h LYS 207 Ca 0.26 -0.24 -0.04 0.00 -2.18 0.00 0.00 60.65 58.45 3k5m h LYS 207 Cb 0.06 -0.16 -0.02 0.00 -1.58 0.00 0.00 32.23 30.53 3k5m h LYS 207 CO -0.04 0.95 0.17 1.25 -1.08 0.00 0.00 179.45 180.69 3k5m h LEU 208 N 1.06 0.74 -0.61 2.94 5.85 -0.72 0.50 115.31 125.06 3k5m h LEU 208 Ca 0.23 -0.20 -0.04 0.00 0.84 0.00 0.00 57.88 58.71 3k5m h LEU 208 Cb 0.31 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.12 3k5m h LEU 208 CO -0.01 0.74 0.23 0.78 -0.34 0.00 0.00 178.44 179.85 3k5m h ASN 209 N 0.69 0.86 -0.48 1.25 -0.26 -0.37 -1.49 115.58 115.78 3k5m h ASN 209 Ca 0.17 -0.18 -0.04 0.00 -0.56 0.00 0.00 56.30 55.68 3k5m h ASN 209 Cb 0.26 -0.22 -0.02 0.00 -1.06 0.00 0.00 38.32 37.28 3k5m h ASN 209 CO -0.01 0.81 0.13 0.00 -1.06 0.00 0.00 177.43 177.31 3k5m h ALA 210 N 1.08 0.63 -0.41 -0.83 0.00 -0.65 -0.04 119.26 119.05 3k5m h ALA 210 Ca 0.20 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 3k5m h ALA 210 Cb 0.23 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 3k5m h ALA 210 CO -0.01 0.31 0.24 2.35 0.00 0.00 0.00 179.25 182.13 3k5m h TRP 211 N 0.65 0.56 -0.81 0.00 7.01 0.21 0.10 115.95 123.67 3k5m h TRP 211 Ca 0.15 -0.01 -0.00 0.00 2.11 0.00 0.00 58.89 61.14 3k5m h TRP 211 Cb 0.30 -0.18 -0.04 0.00 -2.10 0.00 0.00 29.16 27.14 3k5m h TRP 211 CO 0.02 0.42 0.49 0.74 -2.79 0.00 0.00 178.44 177.32 3k5m h PHE 212 N 0.54 1.07 -0.35 2.65 -1.00 -1.00 0.34 116.94 119.20 3k5m h PHE 212 Ca 0.15 -0.00 -0.04 0.00 2.81 0.00 0.00 57.97 60.88 3k5m h PHE 212 Cb 0.03 -0.35 -0.01 0.00 3.61 0.00 0.00 35.95 39.23 3k5m h PHE 212 CO -0.03 0.71 0.06 0.00 -1.61 0.00 0.00 178.31 177.44 3k5m h ALA 213 N 1.26 0.46 -0.01 2.45 0.00 -0.52 0.07 119.26 122.97 3k5m h ALA 213 Ca 0.29 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 3k5m h ALA 213 Cb -0.05 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.61 3k5m h ALA 213 CO -0.06 0.16 -0.04 -0.97 0.00 0.00 0.00 179.25 178.35 3k5m h ASN 214 N 0.41 0.06 1.15 0.00 -0.00 -0.49 -3.37 115.58 113.34 3k5m h ASN 214 Ca 0.11 -0.60 -0.17 0.00 -0.00 0.00 0.00 56.30 55.64 3k5m h ASN 214 Cb 0.35 -0.02 -0.02 0.00 -0.00 0.00 0.00 38.32 38.63 3k5m h ASN 214 CO 0.01 0.65 -0.81 1.88 -0.00 0.00 0.00 177.43 179.16 3k5m h TYR 215 N -0.53 0.00 -6.03 0.67 -1.99 -0.39 -3.49 116.97 105.21 3k5m h TYR 215 Ca -0.00 0.00 -0.39 0.00 2.00 0.00 0.00 58.73 60.34 3k5m h TYR 215 Cb 0.64 0.00 0.10 0.00 2.00 0.00 0.00 36.73 39.48 3k5m h TYR 215 CO 0.13 0.81 -0.90 -3.47 -0.00 0.00 0.00 178.16 174.73 3k5m n ASP 216 N -3.33 -4.83 -4.77 3.88 2.03 0.01 -4.94 116.55 104.61 3k5m n ASP 216 Ca 0.01 -0.91 -0.40 0.00 0.52 0.00 0.00 54.79 54.00 3k5m n ASP 216 Cb 0.85 -3.91 -0.02 0.00 -0.72 0.00 0.00 41.12 37.33 3k5m n ASP 216 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 3k5m s PRO 217 N -5.62 4.17 0.15 -0.67 0.04 -1.26 -4.95 135.00 126.85 3k5m s PRO 217 Ca 0.38 2.09 -0.07 0.00 0.04 0.00 0.00 61.00 63.45 3k5m s PRO 217 Cb -0.11 -2.89 -0.02 0.00 0.04 0.00 0.00 34.50 31.52 3k5m s PRO 217 CO 0.83 -0.30 1.40 -0.44 0.04 0.00 0.00 177.00 178.52 3k5m h ASP 218 N 3.00 0.73 -3.57 6.66 3.32 -1.18 -3.46 116.42 121.92 3k5m h ASP 218 Ca -0.49 -0.45 -0.56 0.00 0.02 0.00 0.00 57.03 55.55 3k5m h ASP 218 Cb 1.23 -0.21 -0.33 0.00 0.22 0.00 0.00 39.33 40.24 3k5m h ASP 218 CO 0.64 1.22 -0.83 -0.69 -1.72 0.00 0.00 179.24 177.85 3k5m s VAL 219 N -3.79 1.39 -0.30 -1.35 1.01 -0.08 -1.77 120.40 115.52 3k5m s VAL 219 Ca -0.08 -0.65 -0.09 0.00 0.00 0.00 0.00 61.98 61.16 3k5m s VAL 219 Cb 0.10 -1.23 -0.01 0.00 0.00 0.00 0.00 36.38 35.24 3k5m s VAL 219 CO 0.87 0.41 0.13 -0.63 0.00 0.00 0.00 175.10 175.88 3k5m s ILE 220 N 0.39 4.51 0.29 2.22 1.01 0.75 -0.62 121.20 129.74 3k5m s ILE 220 Ca -0.12 -0.37 0.11 0.00 0.00 0.00 0.00 60.65 60.27 3k5m s ILE 220 Cb -0.15 -3.26 -0.05 0.00 0.01 0.00 0.00 42.46 39.01 3k5m s ILE 220 CO 0.04 0.13 -0.17 0.27 0.00 0.00 0.00 174.94 175.21 3k5m s ILE 221 N 1.61 2.39 -1.25 2.92 -4.36 0.28 -0.93 121.20 121.86 3k5m s ILE 221 Ca 0.05 -2.35 0.00 0.00 -0.26 0.00 0.00 60.65 58.09 3k5m s ILE 221 Cb -0.17 -2.38 0.00 0.00 1.25 0.00 0.00 42.46 41.17 3k5m s ILE 221 CO 0.06 -0.36 0.00 0.61 0.24 0.00 0.00 174.94 175.49 3k5m n GLY 222 N -0.65 -1.10 3.10 6.27 0.00 -1.18 -1.46 105.19 110.16 3k5m n GLY 222 Ca -0.05 -0.86 -0.33 0.00 0.00 0.00 0.00 46.02 44.78 3k5m n GLY 222 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3k5m s TRP 223 N -3.00 3.02 -1.46 1.61 -0.11 -1.26 -1.85 118.94 115.90 3k5m s TRP 223 Ca 0.00 -1.95 -0.11 0.00 1.22 0.00 0.00 56.10 55.26 3k5m s TRP 223 Cb 0.00 -1.93 0.05 0.00 -1.50 0.00 0.00 33.47 30.08 3k5m s TRP 223 CO 0.00 -0.84 1.01 -1.71 -4.62 0.00 0.00 176.95 170.80 3k5m n ASN 224 N 4.54 -5.56 -0.25 5.86 5.15 -1.26 -4.86 115.26 118.89 3k5m n ASN 224 Ca -0.18 -0.62 0.01 0.00 -0.60 0.00 0.00 54.58 53.19 3k5m n ASN 224 Cb 0.46 -4.41 0.23 0.00 -0.53 0.00 0.00 39.78 35.52 3k5m n ASN 224 CO 0.00 0.00 0.00 1.62 1.40 0.00 0.00 177.26 180.28 3k5m h VAL 225 N -2.23 1.19 0.00 3.44 3.04 -1.91 -1.71 116.25 118.08 3k5m h VAL 225 Ca -0.56 -0.37 -0.00 0.00 -1.01 0.00 0.00 66.70 64.76 3k5m h VAL 225 Cb 1.37 0.03 -0.00 0.00 -2.01 0.00 0.00 31.29 30.68 3k5m h VAL 225 CO 0.61 0.19 -0.02 0.58 -1.01 0.00 0.00 177.57 177.93 3k5m h VAL 226 N 1.07 0.88 -0.11 1.51 2.07 -1.95 0.20 116.25 119.92 3k5m h VAL 226 Ca 0.30 -1.66 -0.04 0.00 0.82 0.00 0.00 66.70 66.11 3k5m h VAL 226 Cb -0.10 1.66 -0.01 0.00 -1.52 0.00 0.00 31.29 31.33 3k5m h VAL 226 CO -0.07 0.30 -0.12 1.56 0.02 0.00 0.00 177.57 179.26 3k5m h GLN 227 N -1.00 0.16 0.00 1.57 1.08 -1.96 -1.76 115.11 113.20 3k5m h GLN 227 Ca -0.00 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.16 3k5m h GLN 227 Cb 0.50 -0.02 0.00 0.00 -0.05 0.00 0.00 27.48 27.91 3k5m h GLN 227 CO -0.00 0.30 0.00 0.34 -0.95 0.00 0.00 178.83 178.51 3k5m n PHE 228 N -4.31 0.00 0.24 2.96 7.35 -0.64 -4.42 117.46 118.63 3k5m n PHE 228 Ca -0.01 0.00 -0.15 0.00 -0.76 0.00 0.00 57.45 56.52 3k5m n PHE 228 Cb 0.24 0.00 -0.08 0.00 0.35 0.00 0.00 39.48 39.99 3k5m n PHE 228 CO 0.00 0.00 0.00 -0.44 -0.76 0.00 0.00 176.76 175.56 3k5m h ASP 229 N 0.00 -0.46 -0.26 -2.13 3.32 -1.57 0.18 116.42 115.49 3k5m h ASP 229 Ca 0.00 -0.00 -0.10 0.00 0.02 0.00 0.00 57.03 56.95 3k5m h ASP 229 Cb 0.00 0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.65 3k5m h ASP 229 CO 0.00 -0.31 -0.16 -0.07 -1.72 0.00 0.00 179.24 176.98 3k5m h LEU 230 N -0.58 0.69 -0.37 1.55 3.38 -0.63 -1.33 115.31 118.03 3k5m h LEU 230 Ca -0.06 -0.22 -0.02 0.00 0.09 0.00 0.00 57.88 57.68 3k5m h LEU 230 Cb 0.44 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 3k5m h LEU 230 CO 0.09 0.87 0.17 -0.09 0.09 0.00 0.00 178.44 179.56 3k5m h ARG 231 N 0.62 0.54 -0.52 1.13 2.43 -1.19 -0.42 114.38 116.97 3k5m h ARG 231 Ca 0.10 -0.09 -0.08 0.00 -0.81 0.00 0.00 59.98 59.11 3k5m h ARG 231 Cb 0.63 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 30.06 3k5m h ARG 231 CO 0.04 0.49 0.02 0.52 -1.51 0.00 0.00 179.97 179.54 3k5m h MET 232 N 0.45 0.86 -0.56 0.20 2.86 -0.49 -2.33 114.93 115.93 3k5m h MET 232 Ca 0.13 -0.23 -0.09 0.00 -2.06 0.00 0.00 59.70 57.44 3k5m h MET 232 Cb 0.14 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 31.68 3k5m h MET 232 CO -0.01 0.85 0.00 -0.07 1.06 0.00 0.00 176.91 178.74 3k5m h LEU 233 N 0.81 0.93 -0.67 1.22 3.38 -0.89 -2.17 115.31 117.92 3k5m h LEU 233 Ca 0.16 -0.25 -0.09 0.00 0.09 0.00 0.00 57.88 57.79 3k5m h LEU 233 Cb 0.46 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 3k5m h LEU 233 CO 0.02 0.99 0.03 -0.61 0.09 0.00 0.00 178.44 178.96 3k5m h GLN 234 N 0.88 1.06 -0.85 1.13 5.75 -0.89 -2.06 115.11 120.14 3k5m h GLN 234 Ca 0.16 -0.32 -0.02 0.00 -0.15 0.00 0.00 58.65 58.32 3k5m h GLN 234 Cb 0.51 -0.11 -0.04 0.00 1.07 0.00 0.00 27.48 28.92 3k5m h GLN 234 CO 0.03 1.02 0.44 -0.22 -2.65 0.00 0.00 178.83 177.45 3k5m h LYS 235 N 0.98 1.19 -0.41 1.69 3.64 -1.14 -0.71 116.57 121.81 3k5m h LYS 235 Ca 0.18 -0.15 -0.05 0.00 -1.27 0.00 0.00 60.65 59.36 3k5m h LYS 235 Cb 0.52 -0.23 -0.02 0.00 -0.41 0.00 0.00 32.23 32.09 3k5m h LYS 235 CO 0.02 0.89 0.07 0.45 -2.27 0.00 0.00 179.45 178.61 3k5m h HIS 236 N 1.19 0.72 -0.80 1.91 3.86 -1.13 0.29 115.15 121.18 3k5m h HIS 236 Ca 0.30 -0.10 -0.02 0.00 -1.16 0.00 0.00 60.37 59.39 3k5m h HIS 236 Cb 0.06 -0.20 -0.04 0.00 1.06 0.00 0.00 27.41 28.30 3k5m h HIS 236 CO 0.01 0.70 0.44 0.00 0.86 0.00 0.00 177.93 179.94 3k5m h ALA 237 N 0.93 1.03 -0.46 2.45 0.00 -0.88 0.19 119.26 122.52 3k5m h ALA 237 Ca 0.12 -0.12 -0.12 0.00 0.00 0.00 0.00 54.91 54.79 3k5m h ALA 237 Cb 0.37 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3k5m h ALA 237 CO 0.01 0.54 -0.19 0.93 0.00 0.00 0.00 179.25 180.54 3k5m h GLU 238 N 1.11 0.94 -0.57 0.00 5.08 -1.02 0.55 114.58 120.67 3k5m h GLU 238 Ca 0.28 -0.40 -0.06 0.00 -1.00 0.00 0.00 59.36 58.19 3k5m h GLU 238 Cb 0.03 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 3k5m h GLU 238 CO -0.05 1.06 0.13 -0.09 -1.00 0.00 0.00 179.01 179.06 3k5m h ARG 239 N 0.78 0.88 -0.02 2.33 9.65 -0.17 -2.54 114.38 125.30 3k5m h ARG 239 Ca 0.11 -0.19 0.00 0.00 -1.10 0.00 0.00 59.98 58.80 3k5m h ARG 239 Cb 0.76 -0.13 0.00 0.00 -1.39 0.00 0.00 29.97 29.21 3k5m h ARG 239 CO 0.06 0.80 -0.10 0.66 2.80 0.00 0.00 179.97 184.19 3k5m n TYR 240 N -4.26 0.00 -3.87 2.20 4.01 0.61 -4.97 117.16 110.88 3k5m n TYR 240 Ca 0.04 0.00 -0.25 0.00 -0.16 0.00 0.00 57.90 57.53 3k5m n TYR 240 Cb 0.24 -0.01 0.01 0.00 -0.31 0.00 0.00 39.34 39.27 3k5m n TYR 240 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 3k5m n ARG 241 N 0.70 -4.24 -4.43 -0.72 3.00 0.18 -5.00 116.66 106.15 3k5m n ARG 241 Ca 0.14 0.51 -0.20 0.00 -0.01 0.00 0.00 57.85 58.30 3k5m n ARG 241 Cb 0.50 -4.97 -0.15 0.00 0.00 0.00 0.00 32.46 27.85 3k5m n ARG 241 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.63 177.15 3k5m s LEU 242 N -6.93 2.04 0.40 0.55 2.34 -0.28 -5.02 118.68 111.78 3k5m s LEU 242 Ca 0.16 -0.22 -0.27 0.00 0.06 0.00 0.00 54.13 53.86 3k5m s LEU 242 Cb -0.08 -0.54 -0.10 0.00 -0.56 0.00 0.00 46.19 44.91 3k5m s LEU 242 CO 0.85 0.11 1.44 -2.16 -1.06 0.00 0.00 176.35 175.54 3k5m s PRO 243 N -0.35 3.98 -0.58 1.48 0.04 -1.26 -4.56 135.00 133.74 3k5m s PRO 243 Ca 0.04 2.46 -0.16 0.00 0.04 0.00 0.00 61.00 63.38 3k5m s PRO 243 Cb -0.05 -2.86 0.14 0.00 0.04 0.00 0.00 34.50 31.78 3k5m s PRO 243 CO -0.00 -0.60 0.54 -1.17 0.04 0.00 0.00 177.00 175.81 3k5m s LEU 244 N -2.30 6.26 -1.19 -3.56 2.96 -1.26 -4.96 118.68 114.63 3k5m s LEU 244 Ca 0.55 -1.91 -0.12 0.00 -0.22 0.00 0.00 54.13 52.43 3k5m s LEU 244 Cb -0.44 -2.21 0.20 0.00 0.50 0.00 0.00 46.19 44.24 3k5m s LEU 244 CO 0.59 -0.82 1.36 0.54 -1.32 0.00 0.00 176.35 176.69 3k5m n ARG 245 N 5.08 3.42 -0.21 1.98 1.74 -1.26 -0.98 116.66 126.44 3k5m n ARG 245 Ca -0.10 -4.02 0.12 0.00 -0.77 0.00 0.00 57.85 53.08 3k5m n ARG 245 Cb 0.41 -2.90 0.23 0.00 -1.02 0.00 0.00 32.46 29.18 3k5m n ARG 245 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3k5m n LEU 246 N 4.79 3.47 -4.74 0.55 4.77 -1.01 -4.72 117.00 120.12 3k5m n LEU 246 Ca 0.33 -1.52 -0.22 0.00 -0.03 0.00 0.00 56.01 54.57 3k5m n LEU 246 Cb 0.42 -0.27 -0.06 0.00 -2.33 0.00 0.00 43.42 41.17 3k5m n LEU 246 CO 0.58 0.76 -0.22 -0.83 -1.33 0.00 0.00 177.39 176.36 3k5m s GLY 247 N -1.44 1.68 0.71 -0.72 0.00 -0.66 -4.75 107.32 102.13 3k5m s GLY 247 Ca 0.40 -1.63 -0.13 0.00 0.00 0.00 0.00 44.72 43.35 3k5m s GLY 247 CO 0.32 -1.64 1.11 0.50 0.00 0.00 0.00 173.10 173.39 3k5m s ARG 248 N -3.81 2.54 -1.36 2.90 0.52 -0.01 -2.41 118.95 117.32 3k5m s ARG 248 Ca 0.35 1.35 -0.06 0.00 -0.52 0.00 0.00 55.73 56.85 3k5m s ARG 248 Cb -0.06 -1.92 0.01 0.00 0.52 0.00 0.00 34.95 33.50 3k5m s ARG 248 CO 0.23 -1.45 0.79 -3.47 0.02 0.00 0.00 175.30 171.42 3k5m n ASP 249 N -2.82 -5.91 -3.47 0.23 2.03 -1.26 -2.98 116.55 102.36 3k5m n ASP 249 Ca 0.10 -0.36 -0.25 0.00 0.52 0.00 0.00 54.79 54.80 3k5m n ASP 249 Cb 0.52 -4.65 -0.00 0.00 -0.72 0.00 0.00 41.12 36.27 3k5m n ASP 249 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 3k5m n ASN 250 N -2.38 -3.89 -4.90 1.67 3.02 -1.18 -4.94 115.26 102.66 3k5m n ASN 250 Ca -0.06 -0.47 -0.28 0.00 -0.03 0.00 0.00 54.58 53.74 3k5m n ASN 250 Cb 0.59 -3.20 -0.00 0.00 -0.61 0.00 0.00 39.78 36.56 3k5m n ASN 250 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3k5m s SER 251 N -2.82 6.29 0.39 6.41 1.04 -1.01 -4.91 113.70 119.09 3k5m s SER 251 Ca 0.45 1.04 -0.22 0.00 0.48 0.00 0.00 55.95 57.70 3k5m s SER 251 Cb -0.24 -2.30 -0.11 0.00 0.10 0.00 0.00 66.02 63.48 3k5m s SER 251 CO 0.55 -0.61 0.93 -1.61 0.98 0.00 0.00 173.24 173.49 3k5m s GLU 252 N -4.70 4.31 0.35 4.02 2.02 -1.26 -1.65 118.70 121.78 3k5m s GLU 252 Ca 0.49 1.14 -0.28 0.00 0.02 0.00 0.00 54.97 56.34 3k5m s GLU 252 Cb -0.10 -2.37 -0.10 0.00 0.10 0.00 0.00 34.13 31.65 3k5m s GLU 252 CO 0.45 0.07 1.30 -1.17 0.02 0.00 0.00 175.26 175.93 3k5m s LEU 253 N -2.85 4.39 0.04 1.80 2.96 -0.15 -4.62 118.68 120.25 3k5m s LEU 253 Ca 0.58 2.67 0.08 0.00 -0.22 0.00 0.00 54.13 57.24 3k5m s LEU 253 Cb -0.12 -3.70 -0.03 0.00 0.50 0.00 0.00 46.19 42.84 3k5m s LEU 253 CO 0.16 -0.59 -0.22 -1.61 -1.32 0.00 0.00 176.35 172.78 3k5m s GLU 254 N -1.88 1.95 -0.15 1.98 2.02 0.07 -4.96 118.70 117.74 3k5m s GLU 254 Ca 0.50 -1.04 0.02 0.00 0.02 0.00 0.00 54.97 54.48 3k5m s GLU 254 Cb -0.39 -2.09 0.01 0.00 0.10 0.00 0.00 34.13 31.76 3k5m s GLU 254 CO 0.52 0.53 -0.21 -1.58 0.02 0.00 0.00 175.26 174.53 3k5m s TRP 255 N -0.87 2.69 -0.15 1.61 0.52 -1.26 -0.03 118.94 121.46 3k5m s TRP 255 Ca 0.13 -1.40 -0.00 0.00 0.02 0.00 0.00 56.10 54.85 3k5m s TRP 255 Cb -0.10 -1.84 -0.01 0.00 -1.15 0.00 0.00 33.47 30.37 3k5m s TRP 255 CO 0.04 -0.65 -0.13 1.03 0.02 0.00 0.00 176.95 177.26 3k5m s ARG 256 N 0.91 3.33 0.54 4.98 0.52 -0.51 -4.88 118.95 123.83 3k5m s ARG 256 Ca -0.05 -0.70 -0.15 0.00 -0.52 0.00 0.00 55.73 54.31 3k5m s ARG 256 Cb -0.15 -2.67 -0.07 0.00 0.52 0.00 0.00 34.95 32.58 3k5m s ARG 256 CO -0.04 0.10 0.99 -2.00 0.02 0.00 0.00 175.30 174.38 3k5m s GLU 257 N 0.62 3.87 0.00 3.54 2.12 -1.26 0.17 118.70 127.76 3k5m s GLU 257 Ca -0.07 0.90 0.00 0.00 0.36 0.00 0.00 54.97 56.16 3k5m s GLU 257 Cb -0.16 -2.13 0.00 0.00 0.26 0.00 0.00 34.13 32.11 3k5m s GLU 257 CO 0.03 -0.33 0.59 1.58 -0.54 0.00 0.00 175.26 176.58 3k5m n HIS 258 N -1.84 0.00 0.00 5.30 -0.00 -1.26 -4.85 115.22 112.57 3k5m n HIS 258 Ca 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.78 3k5m n HIS 258 Cb 0.54 -0.41 0.00 0.00 -0.00 0.00 0.00 29.99 30.12 3k5m n HIS 258 CO 0.00 0.00 0.00 0.36 -0.00 0.00 0.00 176.34 176.70 3k5m n LYS 261 N -1.73 0.00 -0.04 1.57 2.85 -1.26 -5.15 118.16 114.40 3k5m n LYS 261 Ca 0.00 0.00 -0.14 0.00 -1.05 0.00 0.00 58.31 57.12 3k5m n LYS 261 Cb 0.00 0.00 -0.09 0.00 -0.65 0.00 0.00 35.03 34.29 3k5m n LYS 261 CO 0.00 0.00 0.00 -0.97 -0.05 0.00 0.00 177.40 176.38 3k5m h ASN 262 N 0.00 0.31 -5.00 -5.58 -1.24 -2.07 -3.50 115.58 98.51 3k5m h ASN 262 Ca 0.00 -0.58 0.00 0.00 0.71 0.00 0.00 56.30 56.43 3k5m h ASN 262 Cb 0.00 -0.09 0.00 0.00 0.73 0.00 0.00 38.32 38.96 3k5m h ASN 262 CO 0.00 0.83 0.00 0.61 -1.29 0.00 0.00 177.43 177.58 3k5m n GLY 263 N 0.49 -1.95 0.00 1.57 0.00 -1.26 -5.09 105.19 98.95 3k5m n GLY 263 Ca -0.08 -2.21 0.00 0.00 0.00 0.00 0.00 46.02 43.73 3k5m n GLY 263 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3k5m n PHE 265 N -0.41 0.00 -4.50 1.61 3.72 -1.26 -5.15 117.46 111.46 3k5m n PHE 265 Ca 0.00 0.00 -0.34 0.00 -0.05 0.00 0.00 57.45 57.06 3k5m n PHE 265 Cb 0.00 0.00 -0.12 0.00 -0.94 0.00 0.00 39.48 38.42 3k5m n PHE 265 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 176.76 176.65 3k5m s PHE 266 N -2.00 2.97 0.05 1.38 0.08 0.46 -4.90 117.98 116.02 3k5m s PHE 266 Ca 0.00 -0.34 -0.26 0.00 0.12 0.00 0.00 56.93 56.46 3k5m s PHE 266 Cb 0.00 -1.91 -0.05 0.00 -0.57 0.00 0.00 43.02 40.49 3k5m s PHE 266 CO 0.00 -0.03 0.80 0.00 -0.10 0.00 0.00 175.22 175.89 3k5m s ALA 267 N 0.23 3.34 -0.09 5.36 0.00 -1.26 -1.43 121.76 127.92 3k5m s ALA 267 Ca -0.04 0.33 -0.00 0.00 0.00 0.00 0.00 51.96 52.25 3k5m s ALA 267 Cb -0.14 -3.05 0.02 0.00 0.00 0.00 0.00 23.12 19.95 3k5m s ALA 267 CO 0.03 0.04 -0.05 -0.65 0.00 0.00 0.00 175.76 175.13 3k5m s GLN 268 N 0.00 1.17 -0.21 0.00 -1.52 0.96 -4.96 119.66 115.11 3k5m s GLN 268 Ca 0.40 -0.13 -0.00 0.00 -1.95 0.00 0.00 55.36 53.68 3k5m s GLN 268 Cb -0.21 -1.30 0.02 0.00 -0.22 0.00 0.00 33.01 31.30 3k5m s GLN 268 CO 0.24 -0.24 -0.14 0.00 -0.25 0.00 0.00 175.29 174.90 3k5m s ALA 269 N 1.63 2.50 0.27 6.09 0.00 -1.26 -0.75 121.76 130.24 3k5m s ALA 269 Ca 0.02 -1.30 -0.30 0.00 0.00 0.00 0.00 51.96 50.38 3k5m s ALA 269 Cb -0.13 -1.39 -0.11 0.00 0.00 0.00 0.00 23.12 21.49 3k5m s ALA 269 CO -0.05 -0.52 1.53 0.21 0.00 0.00 0.00 175.76 176.93 3k5m s LYS 270 N 1.31 4.18 0.00 0.00 2.20 -1.26 -0.94 119.74 125.23 3k5m s LYS 270 Ca 0.03 2.47 0.00 0.00 -0.36 0.00 0.00 55.97 58.11 3k5m s LYS 270 Cb -0.14 -3.06 0.00 0.00 -1.51 0.00 0.00 37.83 33.12 3k5m s LYS 270 CO -0.09 -0.55 0.00 0.41 -0.36 0.00 0.00 175.35 174.76 3k5m n GLY 271 N 2.22 0.51 3.09 5.54 0.00 -1.26 -0.83 105.19 114.45 3k5m n GLY 271 Ca 0.08 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.99 3k5m n GLY 271 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3k5m s ARG 272 N -0.40 0.61 -0.10 1.61 0.52 -0.12 -4.81 118.95 116.27 3k5m s ARG 272 Ca 0.00 -0.99 -0.05 0.00 -0.52 0.00 0.00 55.73 54.17 3k5m s ARG 272 Cb 0.00 -0.15 -0.04 0.00 0.52 0.00 0.00 34.95 35.28 3k5m s ARG 272 CO 0.00 -0.01 0.09 -0.51 0.02 0.00 0.00 175.30 174.89 3k5m s LEU 273 N -2.22 4.08 -0.23 2.53 1.43 -0.73 -4.50 118.68 119.04 3k5m s LEU 273 Ca -0.01 0.34 0.01 0.00 -1.03 0.00 0.00 54.13 53.43 3k5m s LEU 273 Cb -0.03 -2.00 0.04 0.00 0.03 0.00 0.00 46.19 44.23 3k5m s LEU 273 CO -0.03 0.39 -0.12 -0.63 0.23 0.00 0.00 176.35 176.19 3k5m s ILE 274 N -0.99 2.37 -0.23 -0.59 1.01 -1.26 -0.18 121.20 121.33 3k5m s ILE 274 Ca 0.15 -1.21 0.02 0.00 0.00 0.00 0.00 60.65 59.61 3k5m s ILE 274 Cb -0.12 -2.20 0.05 0.00 0.01 0.00 0.00 42.46 40.20 3k5m s ILE 274 CO 0.04 0.23 -0.11 -0.63 0.00 0.00 0.00 174.94 174.47 3k5m s ILE 275 N 1.24 1.87 -0.15 2.92 -1.09 -0.11 -4.85 121.20 121.03 3k5m s ILE 275 Ca -0.01 -1.28 -0.24 0.00 -2.23 0.00 0.00 60.65 56.89 3k5m s ILE 275 Cb -0.17 -1.96 -0.02 0.00 -1.58 0.00 0.00 42.46 38.73 3k5m s ILE 275 CO -0.07 0.09 0.77 -0.62 -1.23 0.00 0.00 174.94 173.88 3k5m s ASP 276 N 1.27 6.93 0.36 3.58 2.15 -1.26 -3.13 116.67 126.57 3k5m s ASP 276 Ca -0.04 1.13 0.04 0.00 0.43 0.00 0.00 52.55 54.11 3k5m s ASP 276 Cb -0.18 -2.43 0.68 0.00 -0.30 0.00 0.00 42.92 40.70 3k5m s ASP 276 CO -0.07 -0.31 2.00 1.23 -0.17 0.00 0.00 175.17 177.84 3k5m h GLY 277 N 7.92 0.89 0.87 2.66 0.00 -1.76 -1.65 103.07 112.00 3k5m h GLY 277 Ca -0.32 -0.32 -0.01 0.00 0.00 0.00 0.00 47.33 46.68 3k5m h GLY 277 CO 0.81 0.29 -0.10 -2.22 0.00 0.00 0.00 176.54 175.31 3k5m h ILE 278 N 0.81 0.84 -0.60 2.60 2.04 -1.92 -0.65 117.51 120.63 3k5m h ILE 278 Ca 0.25 -0.27 -0.05 0.00 1.00 0.00 0.00 64.86 65.78 3k5m h ILE 278 Cb 0.01 1.00 -0.03 0.00 -0.74 0.00 0.00 36.82 37.07 3k5m h ILE 278 CO -0.06 0.06 0.17 -0.33 0.00 0.00 0.00 178.15 177.99 3k5m h GLU 279 N -0.42 0.94 -0.06 2.37 5.08 -1.94 -1.09 114.58 119.45 3k5m h GLU 279 Ca -0.03 -0.21 0.01 0.00 -1.00 0.00 0.00 59.36 58.13 3k5m h GLU 279 Cb 0.32 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 3k5m h GLU 279 CO 0.05 0.84 -0.00 0.00 -1.00 0.00 0.00 179.01 178.90 3k5m h ALA 280 N 1.05 0.05 -0.40 3.43 0.00 -1.23 0.26 119.26 122.42 3k5m h ALA 280 Ca 0.19 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.12 3k5m h ALA 280 Cb 0.31 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 3k5m h ALA 280 CO -0.00 -0.48 0.26 -0.07 0.00 0.00 0.00 179.25 178.95 3k5m h LEU 281 N 0.02 0.46 -1.21 0.00 4.07 -0.97 -1.33 115.31 116.35 3k5m h LEU 281 Ca 0.03 -0.03 0.01 0.00 0.08 0.00 0.00 57.88 57.97 3k5m h LEU 281 Cb 0.03 -0.12 -0.04 0.00 1.08 0.00 0.00 40.66 41.62 3k5m h LEU 281 CO -0.05 0.35 0.54 0.11 -1.08 0.00 0.00 178.44 178.31 3k5m h LYS 282 N 0.53 1.05 -0.22 1.13 1.57 -0.84 -0.87 116.57 118.92 3k5m h LYS 282 Ca 0.14 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 58.84 3k5m h LYS 282 Cb -0.04 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.02 3k5m h LYS 282 CO -0.03 0.69 0.02 0.66 -0.57 0.00 0.00 179.45 180.23 3k5m h SER 283 N 1.08 0.29 -0.51 0.86 4.64 0.59 -0.25 113.55 120.26 3k5m h SER 283 Ca 0.30 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.59 3k5m h SER 283 Cb -0.10 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 61.91 3k5m h SER 283 CO -0.07 0.33 0.00 0.00 -0.87 0.00 0.00 176.83 176.22 3k5m n ALA 284 N -2.49 3.61 -1.66 5.18 0.00 -0.61 -4.91 120.51 119.63 3k5m n ALA 284 Ca 0.00 -1.61 -0.15 0.00 0.00 0.00 0.00 53.44 51.68 3k5m n ALA 284 Cb 0.18 -1.10 -0.05 0.00 0.00 0.00 0.00 19.45 18.48 3k5m n ALA 284 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3k5m n PHE 285 N 0.60 -0.19 -2.58 0.00 3.72 -0.10 -4.73 117.46 114.18 3k5m n PHE 285 Ca 0.24 0.00 -0.38 0.00 -0.05 0.00 0.00 57.45 57.26 3k5m n PHE 285 Cb 1.03 -2.73 -0.05 0.00 -0.94 0.00 0.00 39.48 36.79 3k5m n PHE 285 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 176.76 175.13 3k5m s TRP 286 N -2.60 3.45 0.04 1.38 0.52 -0.43 -4.99 118.94 116.31 3k5m s TRP 286 Ca 0.00 1.70 0.02 0.00 0.02 0.00 0.00 56.10 57.84 3k5m s TRP 286 Cb 0.00 -3.12 -0.02 0.00 -1.15 0.00 0.00 33.47 29.18 3k5m s TRP 286 CO 0.00 -0.40 -0.07 1.21 0.02 0.00 0.00 176.95 177.71 3k5m s ASN 287 N -1.40 0.79 0.14 2.95 2.47 -1.26 -4.44 114.94 114.19 3k5m s ASN 287 Ca 0.52 -0.53 -0.04 0.00 0.42 0.00 0.00 52.86 53.24 3k5m s ASN 287 Cb -0.24 0.04 -0.03 0.00 -1.45 0.00 0.00 41.25 39.57 3k5m s ASN 287 CO 0.30 -0.20 0.12 -0.36 -3.72 0.00 0.00 177.10 173.24 3k5m s PHE 288 N -1.33 0.69 0.33 0.43 0.08 -1.26 -5.04 117.98 111.87 3k5m s PHE 288 Ca -0.10 -1.07 0.01 0.00 0.12 0.00 0.00 56.93 55.89 3k5m s PHE 288 Cb -0.10 -0.34 0.57 0.00 -0.57 0.00 0.00 43.02 42.58 3k5m s PHE 288 CO 0.00 -0.57 1.98 0.66 -0.10 0.00 0.00 175.22 177.18 3k5m h SER 289 N 2.78 0.77 -5.10 1.36 4.64 -2.01 -3.43 113.55 112.56 3k5m h SER 289 Ca -0.34 -0.04 -0.11 0.00 -0.47 0.00 0.00 61.79 60.83 3k5m h SER 289 Cb 1.20 -0.19 -0.17 0.00 -0.31 0.00 0.00 62.40 62.93 3k5m h SER 289 CO 0.56 0.59 -0.45 -0.55 -0.87 0.00 0.00 176.83 176.11 3k5m s SER 290 N -6.46 0.12 -0.15 4.97 0.15 -1.26 -5.05 113.70 106.02 3k5m s SER 290 Ca -0.10 -0.51 0.17 0.00 0.70 0.00 0.00 55.95 56.21 3k5m s SER 290 Cb 0.17 0.27 0.76 0.00 -1.71 0.00 0.00 66.02 65.52 3k5m s SER 290 CO 0.77 -0.58 1.68 0.49 1.20 0.00 0.00 173.24 176.81 3k5m n PHE 291 N 0.54 1.69 -2.12 3.44 3.72 -1.26 -4.20 117.46 119.26 3k5m n PHE 291 Ca -0.18 -0.64 -0.37 0.00 -0.05 0.00 0.00 57.45 56.21 3k5m n PHE 291 Cb 0.60 -0.32 0.01 0.00 -0.94 0.00 0.00 39.48 38.82 3k5m n PHE 291 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 3k5m s SER 292 N -0.87 5.69 0.23 4.37 1.04 -1.26 -4.83 113.70 118.07 3k5m s SER 292 Ca 0.53 2.37 -0.07 0.00 0.48 0.00 0.00 55.95 59.26 3k5m s SER 292 Cb 0.36 -2.60 0.26 0.00 0.10 0.00 0.00 66.02 64.14 3k5m s SER 292 CO 0.23 -1.25 1.87 0.25 0.98 0.00 0.00 173.24 175.31 3k5m h LEU 293 N 1.49 0.86 -0.39 2.42 5.85 -1.99 -1.10 115.31 122.45 3k5m h LEU 293 Ca -0.50 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.22 3k5m h LEU 293 Cb 1.27 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 42.10 3k5m h LEU 293 CO 0.58 0.58 0.23 -0.33 -0.34 0.00 0.00 178.44 179.16 3k5m h GLU 294 N 1.01 0.54 -0.31 1.25 3.07 -1.97 -0.85 114.58 117.32 3k5m h GLU 294 Ca 0.34 -0.05 -0.05 0.00 -0.50 0.00 0.00 59.36 59.09 3k5m h GLU 294 Cb 0.05 -0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 27.84 3k5m h GLU 294 CO -0.13 0.41 -0.02 1.15 -1.40 0.00 0.00 179.01 179.03 3k5m h THR 295 N 0.51 1.26 -0.59 1.13 2.02 -1.76 -0.49 112.91 115.00 3k5m h THR 295 Ca 0.14 -0.98 -0.06 0.00 0.77 0.00 0.00 66.41 66.28 3k5m h THR 295 Cb 0.02 1.30 -0.02 0.00 -1.74 0.00 0.00 68.15 67.70 3k5m h THR 295 CO -0.03 0.32 0.13 0.58 0.37 0.00 0.00 175.52 176.89 3k5m h VAL 296 N 0.34 1.25 -0.75 3.16 2.07 -1.13 0.64 116.25 121.84 3k5m h VAL 296 Ca 0.08 -0.93 -0.01 0.00 0.82 0.00 0.00 66.70 66.67 3k5m h VAL 296 Cb 0.46 0.72 -0.04 0.00 -1.52 0.00 0.00 31.29 30.92 3k5m h VAL 296 CO 0.02 0.34 0.42 0.00 0.02 0.00 0.00 177.57 178.37 3k5m h ALA 297 N 1.03 0.96 0.37 1.67 0.00 -1.10 1.12 119.26 123.30 3k5m h ALA 297 Ca 0.18 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 3k5m h ALA 297 Cb 0.37 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3k5m h ALA 297 CO 0.00 0.46 -0.18 0.37 0.00 0.00 0.00 179.25 179.91 3k5m h GLN 298 N 1.03 -0.48 -0.39 0.00 -0.00 -0.56 0.02 115.11 114.73 3k5m h GLN 298 Ca 0.26 0.03 -0.14 0.00 -0.00 0.00 0.00 58.65 58.81 3k5m h GLN 298 Cb 0.02 0.11 -0.01 0.00 0.00 0.00 0.00 27.48 27.60 3k5m h GLN 298 CO -0.04 -0.18 -0.29 0.93 0.00 0.00 0.00 178.83 179.25 3k5m h GLU 299 N -0.77 0.89 0.22 1.69 5.08 0.67 -0.82 114.58 121.54 3k5m h GLU 299 Ca -0.05 -0.43 -0.34 0.00 -1.00 0.00 0.00 59.36 57.54 3k5m h GLU 299 Cb 0.52 -0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.79 3k5m h GLU 299 CO 0.08 1.08 -1.60 1.25 -1.00 0.00 0.00 179.01 178.83 3k5m h LEU 300 N 0.70 0.72 -0.37 1.33 5.85 0.12 -3.40 115.31 120.26 3k5m h LEU 300 Ca 0.08 -0.93 0.00 0.00 0.84 0.00 0.00 57.88 57.87 3k5m h LEU 300 Cb 0.87 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.66 3k5m h LEU 300 CO 0.08 1.74 -0.46 0.18 -0.34 0.00 0.00 178.44 179.64 3k5m n LEU 301 N -3.68 0.98 -2.17 2.25 4.77 -0.05 -5.02 117.00 114.09 3k5m n LEU 301 Ca -0.21 -0.62 -0.11 0.00 -0.03 0.00 0.00 56.01 55.04 3k5m n LEU 301 Cb 1.08 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 42.21 3k5m n LEU 301 CO 0.55 0.21 0.10 0.61 -1.33 0.00 0.00 177.39 177.54 3k5m n GLY 302 N 1.18 0.12 0.00 -0.72 0.00 -0.31 -4.97 105.19 100.49 3k5m n GLY 302 Ca 0.04 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.87 3k5m n GLY 302 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3k5m n GLU 303 N -2.77 0.38 0.00 1.61 -0.58 -1.17 -4.97 120.64 113.14 3k5m n GLU 303 Ca -0.05 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.69 3k5m n GLU 303 Cb 0.55 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.42 3k5m n GLU 303 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3k5m n GLY 304 N 5.00 -1.44 2.05 0.62 0.00 -1.26 -4.83 105.19 105.34 3k5m n GLY 304 Ca 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.73 3k5m n GLY 304 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3k5m n SER 306 N 0.00 -1.00 -3.75 1.61 7.64 -1.26 -4.76 113.62 112.10 3k5m n SER 306 Ca 0.00 0.36 -0.26 0.00 1.01 0.00 0.00 58.87 59.97 3k5m n SER 306 Cb 0.00 1.10 0.01 0.00 -1.01 0.00 0.00 64.21 64.30 3k5m n SER 306 CO 0.00 0.00 0.00 2.30 -3.01 0.00 0.00 175.04 174.33 3k5m n ILE 307 N -3.01 -1.90 -3.55 0.44 -5.35 -1.26 -4.95 119.36 99.78 3k5m n ILE 307 Ca 0.00 -0.25 -0.14 0.00 -0.27 0.00 0.00 62.75 62.09 3k5m n ILE 307 Cb 0.00 -1.65 -0.05 0.00 -1.74 0.00 0.00 39.64 36.20 3k5m n ILE 307 CO 0.00 0.00 0.00 1.51 -1.76 0.00 0.00 176.55 176.30 3k5m s ASP 308 N -3.51 -0.49 0.59 7.28 -4.77 -1.26 -5.16 116.67 109.35 3k5m s ASP 308 Ca 0.21 0.23 -0.19 0.00 -3.30 0.00 0.00 52.55 49.50 3k5m s ASP 308 Cb -0.12 0.51 -0.04 0.00 -1.09 0.00 0.00 42.92 42.19 3k5m s ASP 308 CO 0.64 -0.74 1.23 0.20 0.70 0.00 0.00 175.17 177.21 3k5m s ASN 309 N -1.96 5.16 0.28 2.11 0.01 -1.26 -4.87 114.94 114.41 3k5m s ASN 309 Ca -0.05 2.45 -0.01 0.00 -0.71 0.00 0.00 52.86 54.54 3k5m s ASN 309 Cb -0.01 -2.61 0.40 0.00 0.41 0.00 0.00 41.25 39.45 3k5m s ASN 309 CO -0.01 -1.62 1.81 1.55 -1.51 0.00 0.00 177.10 177.32 3k5m h PRO 310 N 0.95 0.79 -0.67 -0.60 0.13 -2.01 -1.04 132.00 129.54 3k5m h PRO 310 Ca -0.51 -0.17 -0.06 0.00 -0.87 0.00 0.00 66.00 64.39 3k5m h PRO 310 Cb 1.30 -0.11 -0.03 0.00 0.13 0.00 0.00 31.00 32.29 3k5m h PRO 310 CO 0.55 0.74 0.19 0.11 -0.23 0.00 0.00 178.00 179.36 3k5m h TRP 311 N 0.75 1.11 -0.54 1.56 0.09 -1.99 0.43 115.95 117.36 3k5m h TRP 311 Ca 0.16 -0.12 -0.01 0.00 0.09 0.00 0.00 58.89 59.01 3k5m h TRP 311 Cb 0.34 -0.32 -0.03 0.00 0.08 0.00 0.00 29.16 29.24 3k5m h TRP 311 CO 0.02 0.90 0.31 -0.44 0.09 0.00 0.00 178.44 179.32 3k5m h ASP 312 N 0.99 0.67 -0.60 0.11 5.19 -1.85 -1.71 116.42 119.22 3k5m h ASP 312 Ca 0.21 -0.08 -0.09 0.00 -0.62 0.00 0.00 57.03 56.45 3k5m h ASP 312 Cb 0.33 -0.17 -0.02 0.00 0.18 0.00 0.00 39.33 39.65 3k5m h ASP 312 CO -0.00 0.56 0.02 -0.09 -3.12 0.00 0.00 179.24 176.60 3k5m h ARG 313 N 0.73 1.06 -0.59 3.56 2.43 -0.82 -1.86 114.38 118.88 3k5m h ARG 313 Ca 0.19 -0.32 0.01 0.00 -0.81 0.00 0.00 59.98 59.05 3k5m h ARG 313 Cb 0.03 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 29.44 3k5m h ARG 313 CO -0.03 1.02 0.39 1.98 -1.51 0.00 0.00 179.97 181.81 3k5m h MET 314 N 0.97 0.76 -0.42 0.20 4.05 -0.63 -2.25 114.93 117.62 3k5m h MET 314 Ca 0.18 -0.05 -0.04 0.00 -0.28 0.00 0.00 59.70 59.51 3k5m h MET 314 Cb 0.53 -0.17 -0.02 0.00 -0.80 0.00 0.00 31.60 31.14 3k5m h MET 314 CO 0.03 0.50 0.11 -0.44 0.23 0.00 0.00 176.91 177.34 3k5m h ASP 315 N 0.79 0.62 -0.59 1.39 3.32 -1.11 -2.62 116.42 118.22 3k5m h ASP 315 Ca 0.22 -0.23 -0.00 0.00 0.02 0.00 0.00 57.03 57.04 3k5m h ASP 315 Cb -0.07 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 39.29 3k5m h ASP 315 CO -0.06 0.69 0.36 -0.08 -1.72 0.00 0.00 179.24 178.43 3k5m h GLU 316 N 0.53 0.82 -0.61 3.56 4.57 -1.00 -1.21 114.58 121.24 3k5m h GLU 316 Ca 0.13 -0.07 -0.05 0.00 -1.18 0.00 0.00 59.36 58.19 3k5m h GLU 316 Cb 0.30 -0.17 -0.03 0.00 -0.16 0.00 0.00 28.75 28.69 3k5m h GLU 316 CO 0.00 0.58 0.19 0.82 -1.18 0.00 0.00 179.01 179.42 3k5m h ILE 317 N 0.83 1.24 -0.54 2.32 2.04 -1.30 -0.32 117.51 121.79 3k5m h ILE 317 Ca 0.22 -0.83 -0.11 0.00 1.00 0.00 0.00 64.86 65.14 3k5m h ILE 317 Cb -0.03 0.63 -0.02 0.00 -0.74 0.00 0.00 36.82 36.66 3k5m h ILE 317 CO -0.04 0.32 -0.08 0.44 0.00 0.00 0.00 178.15 178.79 3k5m h ASP 318 N 0.87 1.01 -0.57 1.72 3.32 -1.01 -1.95 116.42 119.81 3k5m h ASP 318 Ca 0.20 -0.34 -0.11 0.00 0.02 0.00 0.00 57.03 56.80 3k5m h ASP 318 Cb 0.29 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.55 3k5m h ASP 318 CO -0.01 1.11 -0.07 -0.09 -1.72 0.00 0.00 179.24 178.47 3k5m h ARG 319 N 0.89 1.05 -0.46 3.56 2.43 -0.93 -1.09 114.38 119.84 3k5m h ARG 319 Ca 0.14 -0.37 -0.08 0.00 -0.81 0.00 0.00 59.98 58.87 3k5m h ARG 319 Cb 0.64 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 30.10 3k5m h ARG 319 CO 0.04 1.07 -0.01 0.00 -1.51 0.00 0.00 179.97 179.56 3k5m h ARG 320 N 0.94 0.82 -0.63 0.20 3.08 -1.02 0.55 114.38 118.32 3k5m h ARG 320 Ca 0.15 -0.26 -0.08 0.00 0.07 0.00 0.00 59.98 59.85 3k5m h ARG 320 Cb 0.64 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.59 3k5m h ARG 320 CO 0.04 0.88 0.07 0.35 -1.07 0.00 0.00 179.97 180.23 3k5m h PHE 321 N 0.66 1.15 -0.33 3.04 3.57 -1.22 0.99 116.94 124.80 3k5m h PHE 321 Ca 0.13 -0.18 -0.15 0.00 3.53 0.00 0.00 57.97 61.31 3k5m h PHE 321 Cb 0.51 -0.31 -0.01 0.00 2.79 0.00 0.00 35.95 38.93 3k5m h PHE 321 CO 0.04 0.99 -0.38 0.00 -2.23 0.00 0.00 178.31 176.72 3k5m h ALA 322 N 1.02 0.70 0.00 2.41 0.00 -0.98 -3.41 119.26 119.00 3k5m h ALA 322 Ca 0.19 -0.45 -0.21 0.00 0.00 0.00 0.00 54.91 54.45 3k5m h ALA 322 Cb 0.48 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 3k5m h ALA 322 CO 0.02 0.66 -1.73 0.39 0.00 0.00 0.00 179.25 178.60 3k5m n GLU 323 N -4.05 0.30 -3.44 0.00 1.02 0.19 -4.96 120.64 109.70 3k5m n GLU 323 Ca -0.02 0.10 -0.27 0.00 -0.02 0.00 0.00 57.16 56.95 3k5m n GLU 323 Cb 0.53 -1.12 -0.10 0.00 -0.02 0.00 0.00 31.44 30.73 3k5m n GLU 323 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 3k5m n ASP 324 N -3.21 0.34 -0.00 1.62 -0.08 0.33 -4.09 116.55 111.45 3k5m n ASP 324 Ca -0.24 -2.60 0.04 0.00 -1.51 0.00 0.00 54.79 50.48 3k5m n ASP 324 Cb 0.71 -0.60 0.42 0.00 2.34 0.00 0.00 41.12 43.99 3k5m n ASP 324 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 3k5m h LYS 325 N 5.29 0.54 -0.72 -0.67 1.57 -1.41 -1.10 116.57 120.07 3k5m h LYS 325 Ca 0.22 -0.04 -0.05 0.00 -1.87 0.00 0.00 60.65 58.92 3k5m h LYS 325 Cb 0.87 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 33.03 3k5m h LYS 325 CO 0.46 0.36 0.26 -1.35 -0.57 0.00 0.00 179.45 178.61 3k5m h PRO 326 N 0.56 1.08 -0.15 3.15 0.11 -1.86 0.83 132.00 135.72 3k5m h PRO 326 Ca 0.15 -0.20 -0.07 0.00 0.11 0.00 0.00 66.00 65.99 3k5m h PRO 326 Cb -0.05 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 30.87 3k5m h PRO 326 CO -0.03 0.89 -0.24 0.00 -0.21 0.00 0.00 178.00 178.42 3k5m h ALA 327 N 1.23 1.33 -0.48 -0.75 0.00 -1.56 -0.77 119.26 118.27 3k5m h ALA 327 Ca 0.24 -0.29 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 3k5m h ALA 327 Cb 0.24 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 3k5m h ALA 327 CO -0.02 0.46 0.02 1.25 0.00 0.00 0.00 179.25 180.96 3k5m h LEU 328 N 0.24 0.81 -0.89 0.00 5.85 -0.36 -2.35 115.31 118.60 3k5m h LEU 328 Ca 0.04 -0.30 -0.08 0.00 0.84 0.00 0.00 57.88 58.38 3k5m h LEU 328 Cb 0.55 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.35 3k5m h LEU 328 CO 0.04 0.91 -0.06 0.00 -0.34 0.00 0.00 178.44 178.99 3k5m h ALA 329 N 0.93 1.07 -0.54 1.25 0.00 -0.66 0.23 119.26 121.55 3k5m h ALA 329 Ca 0.14 -0.29 -0.06 0.00 0.00 0.00 0.00 54.91 54.70 3k5m h ALA 329 Cb 0.49 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 3k5m h ALA 329 CO 0.02 0.57 0.11 1.15 0.00 0.00 0.00 179.25 181.11 3k5m h THR 330 N 0.70 1.25 -0.39 0.00 2.02 -0.96 0.22 112.91 115.74 3k5m h THR 330 Ca 0.13 -0.91 -0.14 0.00 0.77 0.00 0.00 66.41 66.26 3k5m h THR 330 Cb 0.51 0.80 -0.01 0.00 -1.74 0.00 0.00 68.15 67.72 3k5m h THR 330 CO 0.03 0.33 -0.30 0.22 0.37 0.00 0.00 175.52 176.16 3k5m h TYR 331 N 0.77 1.06 0.19 3.16 3.20 -1.24 -2.81 116.97 121.30 3k5m h TYR 331 Ca 0.17 -0.30 -0.01 0.00 3.14 0.00 0.00 58.73 61.73 3k5m h TYR 331 Cb 0.37 -0.23 0.00 0.00 1.54 0.00 0.00 36.73 38.41 3k5m h TYR 331 CO 0.03 1.10 -0.09 -0.97 -1.64 0.00 0.00 178.16 176.59 3k5m h ASN 332 N 0.71 -0.22 -0.01 -2.11 -1.24 -0.69 -2.96 115.58 109.06 3k5m h ASN 332 Ca 0.07 -0.11 -0.03 0.00 0.71 0.00 0.00 56.30 56.95 3k5m h ASN 332 Cb 0.89 0.06 -0.01 0.00 0.73 0.00 0.00 38.32 39.99 3k5m h ASN 332 CO 0.08 -0.02 -0.05 0.25 -1.29 0.00 0.00 177.43 176.40 3k5m h LEU 333 N -0.41 0.15 -0.97 0.34 5.85 -0.63 -2.47 115.31 117.17 3k5m h LEU 333 Ca -0.03 -0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.64 3k5m h LEU 333 Cb 0.31 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.27 3k5m h LEU 333 CO 0.04 0.23 0.30 0.50 -0.34 0.00 0.00 178.44 179.17 3k5m h LYS 334 N 0.16 1.04 -0.71 1.25 3.64 -1.37 -0.86 116.57 119.72 3k5m h LYS 334 Ca 0.04 -0.17 -0.04 0.00 -1.27 0.00 0.00 60.65 59.21 3k5m h LYS 334 Cb 0.20 -0.18 -0.03 0.00 -0.41 0.00 0.00 32.23 31.81 3k5m h LYS 334 CO 0.01 0.84 0.28 -0.91 -2.27 0.00 0.00 179.45 177.39 3k5m h ASN 335 N 1.02 0.98 -0.06 4.20 2.35 -1.29 0.52 115.58 123.30 3k5m h ASN 335 Ca 0.24 -0.18 -0.00 0.00 -0.55 0.00 0.00 56.30 55.81 3k5m h ASN 335 Cb 0.18 -0.25 -0.00 0.00 0.05 0.00 0.00 38.32 38.29 3k5m h ASN 335 CO -0.02 0.89 0.03 0.00 -1.65 0.00 0.00 177.43 176.68 3k5m h GLU 337 N 0.01 1.20 -0.97 0.00 5.08 -0.90 -1.59 114.58 117.41 3k5m h GLU 337 Ca 0.02 -0.20 0.01 0.00 -1.00 0.00 0.00 59.36 58.19 3k5m h GLU 337 Cb 0.08 -0.20 -0.05 0.00 0.50 0.00 0.00 28.75 29.08 3k5m h GLU 337 CO -0.00 0.95 0.65 -0.07 -1.00 0.00 0.00 179.01 179.53 3k5m h LEU 338 N 1.17 1.12 -0.42 1.33 3.38 0.21 0.02 115.31 122.12 3k5m h LEU 338 Ca 0.27 -0.03 -0.09 0.00 0.09 0.00 0.00 57.88 58.13 3k5m h LEU 338 Cb 0.18 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 3k5m h LEU 338 CO -0.03 0.81 -0.09 0.58 0.09 0.00 0.00 178.44 179.80 3k5m h VAL 339 N 1.32 1.27 -0.61 1.22 2.07 -0.95 -0.24 116.25 120.34 3k5m h VAL 339 Ca 0.36 -1.19 -0.02 0.00 0.82 0.00 0.00 66.70 66.67 3k5m h VAL 339 Cb -0.15 1.19 -0.03 0.00 -1.52 0.00 0.00 31.29 30.78 3k5m h VAL 339 CO -0.08 0.40 0.29 0.71 0.02 0.00 0.00 177.57 178.92 3k5m h THR 340 N 0.62 1.21 -0.35 2.57 1.35 -0.81 0.14 112.91 117.64 3k5m h THR 340 Ca 0.11 -0.60 -0.01 0.00 -0.55 0.00 0.00 66.41 65.36 3k5m h THR 340 Cb 0.62 0.49 -0.02 0.00 -1.73 0.00 0.00 68.15 67.51 3k5m h THR 340 CO 0.04 0.24 0.18 1.56 -0.25 0.00 0.00 175.52 177.29 3k5m h GLN 341 N 0.83 0.50 -0.76 4.72 4.20 -0.79 -1.22 115.11 122.59 3k5m h GLN 341 Ca 0.21 -0.07 0.05 0.00 0.06 0.00 0.00 58.65 58.90 3k5m h GLN 341 Cb 0.12 -0.09 -0.06 0.00 0.30 0.00 0.00 27.48 27.75 3k5m h GLN 341 CO -0.03 0.45 0.46 0.82 -0.67 0.00 0.00 178.83 179.86 3k5m h ILE 342 N 0.43 1.03 -0.72 2.54 2.04 -0.71 -0.81 117.51 121.32 3k5m h ILE 342 Ca 0.12 -0.29 -0.03 0.00 1.00 0.00 0.00 64.86 65.66 3k5m h ILE 342 Cb 0.10 0.10 -0.03 0.00 -0.74 0.00 0.00 36.82 36.25 3k5m h ILE 342 CO -0.02 0.16 0.33 -0.26 0.00 0.00 0.00 178.15 178.36 3k5m h PHE 343 N 0.85 1.06 -0.30 1.37 -1.00 -0.50 -2.39 116.94 116.02 3k5m h PHE 343 Ca 0.33 -0.06 -0.18 0.00 2.81 0.00 0.00 57.97 60.87 3k5m h PHE 343 Cb 0.14 -0.32 -0.00 0.00 3.61 0.00 0.00 35.95 39.37 3k5m h PHE 343 CO -0.05 0.79 -0.52 0.45 -1.61 0.00 0.00 178.31 177.38 3k5m h HIS 344 N 1.02 1.11 -0.60 -0.55 3.86 -0.30 -2.02 115.15 117.66 3k5m h HIS 344 Ca 0.25 -0.38 -0.08 0.00 -1.16 0.00 0.00 60.37 58.99 3k5m h HIS 344 Cb 0.15 -0.21 -0.02 0.00 1.06 0.00 0.00 27.41 28.38 3k5m h HIS 344 CO 0.01 1.22 0.06 -0.22 0.86 0.00 0.00 177.93 179.86 3k5m h LYS 345 N 0.68 1.00 0.00 2.45 3.64 -1.12 -2.09 116.57 121.13 3k5m h LYS 345 Ca 0.02 -0.27 0.00 0.00 -1.27 0.00 0.00 60.65 59.13 3k5m h LYS 345 Cb 1.13 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.83 3k5m h LYS 345 CO 0.12 0.94 0.00 1.79 -2.27 0.00 0.00 179.45 180.03 3k5m h THR 346 N 0.93 0.00 -6.30 1.00 1.35 -1.49 -3.47 112.91 104.93 3k5m h THR 346 Ca 0.18 -0.56 -0.47 0.00 -0.55 0.00 0.00 66.41 65.01 3k5m h THR 346 Cb 0.45 1.52 -0.03 0.00 -1.73 0.00 0.00 68.15 68.36 3k5m h THR 346 CO 0.02 0.00 -0.77 -0.62 -0.25 0.00 0.00 175.52 173.90 3k5m n GLU 347 N -2.48 -5.34 -0.06 4.72 1.02 -0.78 -4.86 120.64 112.86 3k5m n GLU 347 Ca 0.05 0.59 -0.05 0.00 -0.02 0.00 0.00 57.16 57.73 3k5m n GLU 347 Cb 0.42 -5.42 0.16 0.00 -0.02 0.00 0.00 31.44 26.58 3k5m n GLU 347 CO 0.00 0.00 0.00 0.97 1.18 0.00 0.00 177.13 179.28 3k5m h ILE 348 N -2.04 1.25 -0.38 -3.67 6.09 -1.81 -2.95 117.51 114.00 3k5m h ILE 348 Ca -0.59 -1.14 -0.04 0.00 -1.37 0.00 0.00 64.86 61.73 3k5m h ILE 348 Cb 1.37 1.10 -0.02 0.00 0.47 0.00 0.00 36.82 39.75 3k5m h ILE 348 CO 0.66 0.38 0.10 0.24 -3.07 0.00 0.00 178.15 176.47 3k5m h MET 349 N 0.62 0.60 -0.89 2.19 2.86 -1.89 -1.09 114.93 117.34 3k5m h MET 349 Ca 0.11 -0.14 0.02 0.00 -2.06 0.00 0.00 59.70 57.63 3k5m h MET 349 Cb 0.57 -0.08 -0.05 0.00 0.06 0.00 0.00 31.60 32.11 3k5m h MET 349 CO 0.04 0.63 0.58 -1.35 1.06 0.00 0.00 176.91 177.87 3k5m h PRO 350 N 0.47 1.12 0.03 -0.22 0.11 -1.94 -0.85 132.00 130.71 3k5m h PRO 350 Ca 0.12 -0.07 -0.00 0.00 0.11 0.00 0.00 66.00 66.16 3k5m h PRO 350 Cb 0.29 -0.25 0.00 0.00 0.11 0.00 0.00 31.00 31.15 3k5m h PRO 350 CO -0.00 0.74 -0.01 0.35 -0.21 0.00 0.00 178.00 178.87 3k5m h PHE 351 N 1.16 -0.03 -0.54 0.65 3.57 -1.28 -0.72 116.94 119.74 3k5m h PHE 351 Ca 0.34 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.84 3k5m h PHE 351 Cb -0.06 0.01 -0.03 0.00 2.79 0.00 0.00 35.95 38.66 3k5m h PHE 351 CO -0.00 0.10 0.33 -0.07 -2.23 0.00 0.00 178.31 176.44 3k5m h LEU 352 N -0.15 0.63 -0.49 0.59 3.38 -0.71 0.19 115.31 118.74 3k5m h LEU 352 Ca -0.00 -0.03 -0.05 0.00 0.09 0.00 0.00 57.88 57.89 3k5m h LEU 352 Cb 0.14 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 3k5m h LEU 352 CO 0.01 0.48 0.10 -0.07 0.09 0.00 0.00 178.44 179.05 3k5m h LEU 353 N 0.74 0.77 -0.55 1.67 3.38 -0.81 -1.08 115.31 119.42 3k5m h LEU 353 Ca 0.20 -0.25 -0.06 0.00 0.09 0.00 0.00 57.88 57.85 3k5m h LEU 353 Cb -0.04 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.48 3k5m h LEU 353 CO -0.04 0.82 0.09 -0.33 0.09 0.00 0.00 178.44 179.07 3k5m h GLU 354 N 0.69 0.91 -0.67 1.13 4.39 -0.13 -1.98 114.58 118.91 3k5m h GLU 354 Ca 0.15 -0.24 -0.05 0.00 0.34 0.00 0.00 59.36 59.56 3k5m h GLU 354 Cb 0.36 -0.11 -0.03 0.00 -0.10 0.00 0.00 28.75 28.88 3k5m h GLU 354 CO 0.01 0.87 0.24 -0.09 -1.16 0.00 0.00 179.01 178.88 3k5m h ARG 355 N 0.80 1.02 -0.30 2.33 2.43 -0.83 -1.80 114.38 118.03 3k5m h ARG 355 Ca 0.17 -0.20 -0.01 0.00 -0.81 0.00 0.00 59.98 59.13 3k5m h ARG 355 Cb 0.40 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.78 3k5m h ARG 355 CO 0.01 0.87 0.16 0.00 -1.51 0.00 0.00 179.97 179.50 3k5m h ALA 356 N 1.10 0.38 -0.85 2.80 0.00 -1.07 0.92 119.26 122.54 3k5m h ALA 356 Ca 0.22 -0.07 0.06 0.00 0.00 0.00 0.00 54.91 55.12 3k5m h ALA 356 Cb 0.25 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.87 3k5m h ALA 356 CO -0.01 -0.09 0.55 1.15 0.00 0.00 0.00 179.25 180.86 3k5m h THR 357 N 0.36 1.06 0.05 0.00 2.02 -1.15 -0.79 112.91 114.46 3k5m h THR 357 Ca 0.10 -0.33 -0.14 0.00 0.77 0.00 0.00 66.41 66.82 3k5m h THR 357 Cb 0.07 0.02 0.01 0.00 -1.74 0.00 0.00 68.15 66.52 3k5m h THR 357 CO -0.02 0.17 -0.58 0.58 0.37 0.00 0.00 175.52 176.05 3k5m h VAL 358 N 0.95 1.50 -0.01 3.16 2.07 -0.71 -3.39 116.25 119.82 3k5m h VAL 358 Ca 0.36 -2.24 0.00 0.00 0.82 0.00 0.00 66.70 65.65 3k5m h VAL 358 Cb 0.20 2.89 0.00 0.00 -1.52 0.00 0.00 31.29 32.86 3k5m h VAL 358 CO -0.13 0.63 -0.31 -0.46 0.02 0.00 0.00 177.57 177.33 3k5m n ASN 359 N -4.26 1.54 -0.01 0.57 6.94 0.26 -4.96 115.26 115.33 3k5m n ASN 359 Ca -0.11 -1.23 -0.00 0.00 -0.02 0.00 0.00 54.58 53.22 3k5m n ASN 359 Cb 0.69 0.25 -0.00 0.00 -2.36 0.00 0.00 39.78 38.35 3k5m n ASN 359 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3k5m n GLY 360 N 1.36 0.30 3.99 4.83 0.00 -0.32 -4.56 105.19 110.79 3k5m n GLY 360 Ca 0.12 -0.01 -0.18 0.00 0.00 0.00 0.00 46.02 45.95 3k5m n GLY 360 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3k5m s LEU 361 N -0.04 3.67 0.53 0.99 1.43 -1.26 -4.93 118.68 119.07 3k5m s LEU 361 Ca 0.00 -0.43 -0.21 0.00 -1.03 0.00 0.00 54.13 52.46 3k5m s LEU 361 Cb 0.00 -2.60 -0.05 0.00 0.03 0.00 0.00 46.19 43.56 3k5m s LEU 361 CO 0.00 -0.71 1.27 -2.84 0.23 0.00 0.00 176.35 174.30 3k5m s PRO 362 N -4.30 3.28 0.40 1.29 0.02 -1.26 -4.67 135.00 129.75 3k5m s PRO 362 Ca 0.53 2.01 0.13 0.00 0.02 0.00 0.00 61.00 63.69 3k5m s PRO 362 Cb -0.09 -2.23 0.96 0.00 0.02 0.00 0.00 34.50 33.16 3k5m s PRO 362 CO 0.32 -1.01 1.89 0.28 -0.33 0.00 0.00 177.00 178.15 3k5m h VAL 363 N 1.44 0.80 -0.38 3.83 2.07 -1.88 -0.20 116.25 121.92 3k5m h VAL 363 Ca -0.50 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 66.83 3k5m h VAL 363 Cb 1.28 0.22 0.00 0.00 -1.52 0.00 0.00 31.29 31.27 3k5m h VAL 363 CO 0.58 0.10 0.00 -0.90 0.02 0.00 0.00 177.57 177.36 3k5m n ASP 364 N -4.52 2.88 -4.47 0.57 3.85 -1.26 -4.85 116.55 108.75 3k5m n ASP 364 Ca 0.16 -2.23 -0.36 0.00 -0.71 0.00 0.00 54.79 51.65 3k5m n ASP 364 Cb 0.52 -0.42 -0.12 0.00 -1.35 0.00 0.00 41.12 39.75 3k5m n ASP 364 CO 0.00 0.00 0.00 -0.60 -1.01 0.00 0.00 177.20 175.59 3k5m s ARG 365 N -1.68 3.69 0.14 0.11 6.06 -0.09 -5.03 118.95 122.16 3k5m s ARG 365 Ca 0.29 -0.46 0.04 0.00 -2.50 0.00 0.00 55.73 53.10 3k5m s ARG 365 Cb 0.19 -3.33 -0.04 0.00 0.06 0.00 0.00 34.95 31.83 3k5m s ARG 365 CO 0.15 -0.15 0.19 -1.01 -2.50 0.00 0.00 175.30 171.98 3k5m s HIS 366 N 1.51 3.30 0.00 5.12 3.76 -1.26 -4.79 115.29 122.93 3k5m s HIS 366 Ca 0.06 0.06 0.00 0.00 -0.15 0.00 0.00 55.06 55.03 3k5m s HIS 366 Cb -0.15 -1.60 0.00 0.00 1.11 0.00 0.00 32.58 31.94 3k5m s HIS 366 CO 0.04 0.52 0.00 0.41 -0.85 0.00 0.00 174.74 174.86 3k5m n GLY 367 N -0.27 2.73 3.20 -2.22 0.00 -1.26 -4.91 105.19 102.47 3k5m n GLY 367 Ca -0.08 -0.25 -0.19 0.00 0.00 0.00 0.00 46.02 45.50 3k5m n GLY 367 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k5m n GLY 368 N 0.00 -0.28 0.32 -0.02 0.00 -1.26 -4.92 105.19 99.03 3k5m n GLY 368 Ca 0.00 0.08 -0.01 0.00 0.00 0.00 0.00 46.02 46.09 3k5m n GLY 368 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3k5m h SER 369 N -2.17 0.87 0.02 1.61 0.02 -1.96 -0.64 113.55 111.30 3k5m h SER 369 Ca -0.47 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.48 3k5m h SER 369 Cb 1.30 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 63.65 3k5m h SER 369 CO 0.46 0.59 -0.01 0.58 -1.14 0.00 0.00 176.83 177.30 3k5m h VAL 370 N 1.02 1.03 -0.66 2.27 2.07 -1.92 0.33 116.25 120.39 3k5m h VAL 370 Ca 0.34 -0.16 -0.07 0.00 0.82 0.00 0.00 66.70 67.63 3k5m h VAL 370 Cb 0.05 1.14 -0.03 0.00 -1.52 0.00 0.00 31.29 30.93 3k5m h VAL 370 CO -0.13 0.04 0.13 0.00 0.02 0.00 0.00 177.57 177.63 3k5m h ALA 371 N 0.88 0.99 -0.45 1.67 0.00 -1.93 -2.03 119.26 118.39 3k5m h ALA 371 Ca -0.00 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.63 3k5m h ALA 371 Cb 0.09 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 3k5m h ALA 371 CO 0.00 0.65 0.17 0.00 0.00 0.00 0.00 179.25 180.08 3k5m h ALA 372 N 1.13 0.59 -0.63 0.00 0.00 -0.89 -0.55 119.26 118.91 3k5m h ALA 372 Ca 0.21 -0.15 0.04 0.00 0.00 0.00 0.00 54.91 55.00 3k5m h ALA 372 Cb 0.39 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 3k5m h ALA 372 CO 0.01 0.20 0.37 0.35 0.00 0.00 0.00 179.25 180.18 3k5m h PHE 373 N 0.59 0.70 -0.62 0.00 3.57 -0.69 -2.28 116.94 118.21 3k5m h PHE 373 Ca 0.15 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.64 3k5m h PHE 373 Cb 0.21 -0.22 -0.03 0.00 2.79 0.00 0.00 35.95 38.70 3k5m h PHE 373 CO 0.00 0.38 0.26 0.78 -2.23 0.00 0.00 178.31 177.50 3k5m h GLY 374 N 0.72 0.99 1.00 2.40 0.00 -0.62 0.10 103.07 107.67 3k5m h GLY 374 Ca 0.26 -0.53 0.00 0.00 0.00 0.00 0.00 47.33 47.06 3k5m h GLY 374 CO -0.13 0.50 0.40 0.84 0.00 0.00 0.00 176.54 178.15 3k5m h HIS 375 N 0.87 0.78 0.04 5.60 -0.00 -0.73 -0.96 115.15 120.75 3k5m h HIS 375 Ca 0.21 0.01 -0.24 0.00 -0.00 0.00 0.00 60.37 60.35 3k5m h HIS 375 Cb 0.19 -0.26 0.00 0.00 -0.00 0.00 0.00 27.41 27.34 3k5m h HIS 375 CO 0.01 0.51 -1.02 -0.07 -0.00 0.00 0.00 177.93 177.35 3k5m h LEU 376 N 0.83 0.45 -0.16 0.26 3.38 -1.31 -3.36 115.31 115.40 3k5m h LEU 376 Ca 0.22 -0.40 -0.23 0.00 0.09 0.00 0.00 57.88 57.56 3k5m h LEU 376 Cb -0.08 -0.14 0.01 0.00 0.09 0.00 0.00 40.66 40.54 3k5m h LEU 376 CO -0.05 1.23 -0.90 0.22 0.09 0.00 0.00 178.44 179.03 3k5m h TYR 377 N 0.16 0.81 -0.09 1.13 3.20 -0.56 -3.40 116.97 118.22 3k5m h TYR 377 Ca -0.09 -0.41 0.04 0.00 3.14 0.00 0.00 58.73 61.41 3k5m h TYR 377 Cb 1.69 -0.10 -0.06 0.00 1.54 0.00 0.00 36.73 39.79 3k5m h TYR 377 CO 0.06 1.23 -0.40 0.74 -1.64 0.00 0.00 178.16 178.14 3k5m h PHE 378 N 0.34 -1.14 -0.88 -3.82 -1.00 -1.33 -0.48 116.94 108.64 3k5m h PHE 378 Ca -0.08 0.04 0.01 0.00 2.81 0.00 0.00 57.97 60.75 3k5m h PHE 378 Cb 1.53 0.51 -0.04 0.00 3.61 0.00 0.00 35.95 41.56 3k5m h PHE 378 CO 0.07 -0.47 0.57 -1.00 -1.61 0.00 0.00 178.31 175.88 3k5m h PRO 379 N -0.50 1.16 -0.39 1.51 0.13 -1.78 0.11 132.00 132.24 3k5m h PRO 379 Ca 0.07 -0.08 -0.09 0.00 -0.87 0.00 0.00 66.00 65.03 3k5m h PRO 379 Cb 0.62 -0.26 -0.01 0.00 0.13 0.00 0.00 31.00 31.48 3k5m h PRO 379 CO -0.36 0.78 -0.11 0.00 -0.23 0.00 0.00 178.00 178.08 3k5m h ARG 380 N 1.19 0.76 -0.55 0.86 3.08 -1.70 -1.73 114.38 116.29 3k5m h ARG 380 Ca 0.32 -0.30 0.01 0.00 0.07 0.00 0.00 59.98 60.08 3k5m h ARG 380 Cb -0.12 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 29.86 3k5m h ARG 380 CO -0.07 0.91 0.36 1.98 -1.07 0.00 0.00 179.97 182.08 3k5m h MET 381 N 0.57 0.72 -0.77 0.04 4.05 -0.54 -1.11 114.93 117.89 3k5m h MET 381 Ca 0.10 -0.04 -0.03 0.00 -0.28 0.00 0.00 59.70 59.44 3k5m h MET 381 Cb 0.63 -0.16 -0.03 0.00 -0.80 0.00 0.00 31.60 31.24 3k5m h MET 381 CO 0.04 0.48 0.35 0.45 0.23 0.00 0.00 176.91 178.46 3k5m h HIS 382 N 0.74 1.12 0.00 1.39 3.86 -0.72 -0.90 115.15 120.64 3k5m h HIS 382 Ca 0.21 -0.06 -0.02 0.00 -1.16 0.00 0.00 60.37 59.33 3k5m h HIS 382 Cb -0.07 -0.34 -0.00 0.00 1.06 0.00 0.00 27.41 28.05 3k5m h HIS 382 CO -0.04 0.83 -0.11 0.00 0.86 0.00 0.00 177.93 179.47 3k5m h ARG 383 N 1.09 0.00 -0.00 2.45 -0.00 -0.61 -1.08 114.38 116.23 3k5m h ARG 383 Ca 0.26 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.74 3k5m h ARG 383 Cb 0.14 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.11 3k5m h ARG 383 CO -0.03 0.11 -0.03 0.00 0.00 0.00 0.00 179.97 180.02 3k5m n ALA 384 N -2.23 2.66 -0.32 0.04 0.00 -0.42 -4.89 120.51 115.36 3k5m n ALA 384 Ca -0.01 -0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.19 3k5m n ALA 384 Cb 0.26 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.29 3k5m n ALA 384 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3k5m n GLY 385 N 1.14 0.82 3.29 0.00 0.00 -0.41 -5.05 105.19 104.97 3k5m n GLY 385 Ca 0.19 -0.20 -0.19 0.00 0.00 0.00 0.00 46.02 45.82 3k5m n GLY 385 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3k5m s TYR 386 N -2.00 1.59 0.08 1.61 2.02 -0.76 -0.76 117.35 119.12 3k5m s TYR 386 Ca 0.00 -0.53 0.06 0.00 -0.37 0.00 0.00 57.07 56.23 3k5m s TYR 386 Cb 0.00 -0.81 -0.04 0.00 -0.40 0.00 0.00 41.96 40.71 3k5m s TYR 386 CO 0.00 0.23 -0.06 0.14 -1.57 0.00 0.00 175.55 174.29 3k5m s VAL 387 N -2.18 3.66 0.52 0.71 -7.23 -0.52 -3.28 120.40 112.08 3k5m s VAL 387 Ca 0.13 -1.07 -0.21 0.00 -1.81 0.00 0.00 61.98 59.02 3k5m s VAL 387 Cb -0.05 -2.70 -0.06 0.00 0.56 0.00 0.00 36.38 34.13 3k5m s VAL 387 CO 0.05 0.17 1.18 0.00 -0.31 0.00 0.00 175.10 176.18 3k5m s ALA 388 N -1.21 2.78 0.75 1.32 0.00 -1.26 -4.21 121.76 119.93 3k5m s ALA 388 Ca 0.22 0.95 -0.11 0.00 0.00 0.00 0.00 51.96 53.02 3k5m s ALA 388 Cb -0.11 -3.40 0.05 0.00 0.00 0.00 0.00 23.12 19.65 3k5m s ALA 388 CO 0.14 -0.85 1.12 -1.25 0.00 0.00 0.00 175.76 174.92 3k5m s PRO 389 N -3.04 2.39 0.69 0.00 0.04 -1.26 -4.54 135.00 129.29 3k5m s PRO 389 Ca 0.70 0.21 0.02 0.00 0.04 0.00 0.00 61.00 61.97 3k5m s PRO 389 Cb -0.28 -2.02 0.12 0.00 0.04 0.00 0.00 34.50 32.36 3k5m s PRO 389 CO 0.33 -1.29 0.95 -0.80 0.04 0.00 0.00 177.00 176.23 3k5m s ASN 390 N -4.47 4.49 0.59 6.66 0.01 -1.26 -4.82 114.94 116.13 3k5m s ASN 390 Ca 0.60 -0.49 -0.17 0.00 -0.71 0.00 0.00 52.86 52.10 3k5m s ASN 390 Cb -0.11 0.08 -0.04 0.00 0.41 0.00 0.00 41.25 41.59 3k5m s ASN 390 CO 0.50 -1.77 1.07 -0.76 -1.51 0.00 0.00 177.10 174.63 3k5m s LEU 391 N -5.04 3.55 0.00 0.60 1.43 -1.26 -4.01 118.68 113.94 3k5m s LEU 391 Ca 0.66 1.90 0.00 0.00 -1.03 0.00 0.00 54.13 55.65 3k5m s LEU 391 Cb -0.05 -4.54 0.00 0.00 0.03 0.00 0.00 46.19 41.62 3k5m s LEU 391 CO 0.43 -1.20 0.00 0.61 0.23 0.00 0.00 176.35 176.42 3k5m n GLY 392 N -0.69 0.47 0.14 -3.19 0.00 -1.26 -4.94 105.19 95.72 3k5m n GLY 392 Ca 0.09 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.12 3k5m n GLY 392 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3k5m h GLU 393 N 0.97 0.00 -5.44 1.61 5.08 -1.91 -3.44 114.58 111.44 3k5m h GLU 393 Ca 0.00 0.00 -0.68 0.00 -1.00 0.00 0.00 59.36 57.68 3k5m h GLU 393 Cb 0.10 0.00 -0.32 0.00 0.50 0.00 0.00 28.75 29.03 3k5m h GLU 393 CO 0.00 0.59 -0.86 0.08 -1.00 0.00 0.00 179.01 177.82 3k5m s VAL 394 N -3.31 2.24 0.44 3.13 1.01 -1.26 -5.10 120.40 117.55 3k5m s VAL 394 Ca 0.01 -0.96 -0.26 0.00 0.00 0.00 0.00 61.98 60.77 3k5m s VAL 394 Cb 0.11 -1.87 -0.09 0.00 0.00 0.00 0.00 36.38 34.53 3k5m s VAL 394 CO 0.74 0.56 1.44 -2.84 0.00 0.00 0.00 175.10 175.00 3k5m s PRO 395 N 0.26 3.76 0.26 2.72 0.02 -1.26 -4.93 135.00 135.82 3k5m s PRO 395 Ca -0.15 2.44 -0.30 0.00 0.02 0.00 0.00 61.00 63.02 3k5m s PRO 395 Cb -0.17 -2.71 -0.10 0.00 0.02 0.00 0.00 34.50 31.54 3k5m s PRO 395 CO 0.08 -0.77 1.43 -2.14 -0.33 0.00 0.00 177.00 175.27 3k5m s PRO 396 N -2.39 4.27 -0.27 5.54 0.02 -1.26 -4.81 135.00 136.10 3k5m s PRO 396 Ca 0.59 2.30 -0.23 0.00 0.02 0.00 0.00 61.00 63.69 3k5m s PRO 396 Cb -0.44 -3.10 0.08 0.00 0.02 0.00 0.00 34.50 31.05 3k5m s PRO 396 CO 0.57 -0.41 0.75 -1.58 -0.33 0.00 0.00 177.00 176.01 3k5m s HIS 397 N -0.11 -0.81 0.57 6.54 2.46 -1.26 -5.11 115.29 117.57 3k5m s HIS 397 Ca 0.58 1.88 -0.17 0.00 0.47 0.00 0.00 55.06 57.82 3k5m s HIS 397 Cb -0.42 0.36 -0.04 0.00 -0.13 0.00 0.00 32.58 32.35 3k5m s HIS 397 CO 0.44 -0.39 1.09 0.00 -2.47 0.00 0.00 174.74 173.41 3k5m s ALA 398 N 0.67 2.68 0.11 1.58 0.00 -1.26 -4.64 121.76 120.90 3k5m s ALA 398 Ca -0.02 0.60 0.08 0.00 0.00 0.00 0.00 51.96 52.62 3k5m s ALA 398 Cb -0.05 -3.30 -0.04 0.00 0.00 0.00 0.00 23.12 19.74 3k5m s ALA 398 CO -0.05 -0.82 -0.16 -1.12 0.00 0.00 0.00 175.76 173.61 3k5m s SER 399 N -2.28 4.03 0.71 0.00 0.01 -1.26 -5.02 113.70 109.89 3k5m s SER 399 Ca 0.68 -0.50 -0.11 0.00 1.31 0.00 0.00 55.95 57.33 3k5m s SER 399 Cb -0.20 -0.63 0.02 0.00 0.21 0.00 0.00 66.02 65.42 3k5m s SER 399 CO 0.32 0.18 1.07 -2.16 0.41 0.00 0.00 173.24 173.06 3k5m s PRO 400 N -2.12 2.80 0.00 12.44 0.04 -1.26 -5.00 135.00 141.90 3k5m s PRO 400 Ca 0.19 0.84 0.00 0.00 0.04 0.00 0.00 61.00 62.06 3k5m s PRO 400 Cb -0.11 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.45 3k5m s PRO 400 CO 0.11 -1.16 0.00 0.41 0.04 0.00 0.00 177.00 176.39 3k5m n GLY 401 N -2.14 0.95 3.76 0.56 0.00 -1.26 -4.77 105.19 102.29 3k5m n GLY 401 Ca 0.07 -1.81 -0.33 0.00 0.00 0.00 0.00 46.02 43.95 3k5m n GLY 401 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3k5m s GLY 402 N -0.67 2.17 0.30 -0.02 0.00 -1.26 -4.84 107.32 102.99 3k5m s GLY 402 Ca 0.00 0.59 -0.29 0.00 0.00 0.00 0.00 44.72 45.02 3k5m s GLY 402 CO 0.00 0.95 1.26 -0.47 0.00 0.00 0.00 173.10 174.84 3k5m s TYR 403 N -2.30 3.20 0.03 1.90 5.04 -1.26 -4.73 117.35 119.23 3k5m s TYR 403 Ca 0.68 1.44 -0.00 0.00 -2.44 0.00 0.00 57.07 56.75 3k5m s TYR 403 Cb -0.22 -3.58 -0.03 0.00 0.35 0.00 0.00 41.96 38.49 3k5m s TYR 403 CO 0.43 -1.58 -0.03 0.08 -1.34 0.00 0.00 175.55 173.10 3k5m s VAL 404 N -0.92 0.17 0.14 3.14 1.01 -1.26 -0.51 120.40 122.17 3k5m s VAL 404 Ca 0.49 -1.14 0.08 0.00 0.00 0.00 0.00 61.98 61.41 3k5m s VAL 404 Cb -0.38 -0.59 -0.04 0.00 0.00 0.00 0.00 36.38 35.37 3k5m s VAL 404 CO 0.48 -0.62 -0.18 0.00 0.00 0.00 0.00 175.10 174.78 3k5m s MET 405 N -2.08 1.19 0.21 2.72 0.23 -1.18 -5.05 119.30 115.35 3k5m s MET 405 Ca -0.10 -1.32 -0.30 0.00 -1.03 0.00 0.00 55.69 52.94 3k5m s MET 405 Cb -0.06 -1.26 -0.09 0.00 -1.53 0.00 0.00 34.83 31.89 3k5m s MET 405 CO -0.03 0.26 1.41 -0.51 -2.03 0.00 0.00 175.02 174.12 3k5m s ASP 406 N -2.47 6.73 0.36 -1.18 1.01 -1.26 -4.56 116.67 115.30 3k5m s ASP 406 Ca 0.12 2.56 -0.10 0.00 0.71 0.00 0.00 52.55 55.84 3k5m s ASP 406 Cb -0.06 -2.61 -0.07 0.00 1.01 0.00 0.00 42.92 41.19 3k5m s ASP 406 CO 0.05 -0.66 0.71 -0.94 0.21 0.00 0.00 175.17 174.55 3k5m s SER 407 N 0.50 6.56 -0.39 0.27 1.04 -1.26 -4.79 113.70 115.64 3k5m s SER 407 Ca 0.60 1.07 -0.17 0.00 0.48 0.00 0.00 55.95 57.93 3k5m s SER 407 Cb -0.40 -2.29 0.01 0.00 0.10 0.00 0.00 66.02 63.43 3k5m s SER 407 CO 0.39 -0.31 0.46 -0.13 0.98 0.00 0.00 173.24 174.63 3k5m s ARG 408 N -3.59 3.36 0.80 4.02 0.52 -0.56 -4.05 118.95 119.45 3k5m s ARG 408 Ca 0.50 -0.49 -0.11 0.00 -0.52 0.00 0.00 55.73 55.11 3k5m s ARG 408 Cb -0.10 -3.89 0.08 0.00 0.52 0.00 0.00 34.95 31.56 3k5m s ARG 408 CO 0.28 -0.74 1.12 -1.25 0.02 0.00 0.00 175.30 174.73 3k5m s PRO 409 N 2.24 1.91 0.00 3.54 0.04 -1.26 -4.83 135.00 136.63 3k5m s PRO 409 Ca 0.15 1.35 0.00 0.00 0.04 0.00 0.00 61.00 62.54 3k5m s PRO 409 Cb -0.16 -1.84 0.00 0.00 0.04 0.00 0.00 34.50 32.53 3k5m s PRO 409 CO 0.14 -1.94 0.00 0.41 0.04 0.00 0.00 177.00 175.65 3k5m n GLY 410 N -0.59 3.49 3.61 0.56 0.00 0.23 -4.95 105.19 107.53 3k5m n GLY 410 Ca 0.10 -1.54 -0.35 0.00 0.00 0.00 0.00 46.02 44.22 3k5m n GLY 410 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3k5m s LEU 411 N 0.00 3.83 0.25 0.99 2.96 -1.26 -1.09 118.68 124.36 3k5m s LEU 411 Ca 0.00 0.03 0.07 0.00 -0.22 0.00 0.00 54.13 54.01 3k5m s LEU 411 Cb 0.00 -2.00 -0.05 0.00 0.50 0.00 0.00 46.19 44.64 3k5m s LEU 411 CO 0.00 0.10 -0.08 -0.31 -1.32 0.00 0.00 176.35 174.74 3k5m s TYR 412 N 0.82 1.83 -0.02 5.38 2.02 0.07 -4.98 117.35 122.47 3k5m s TYR 412 Ca 0.05 -0.68 0.04 0.00 -0.37 0.00 0.00 57.07 56.11 3k5m s TYR 412 Cb -0.13 -0.98 -0.03 0.00 -0.40 0.00 0.00 41.96 40.41 3k5m s TYR 412 CO 0.02 0.28 -0.14 -0.51 -1.57 0.00 0.00 175.55 173.63 3k5m s ASP 413 N -3.39 4.05 -0.35 2.29 -0.00 -1.26 -1.31 116.67 116.70 3k5m s ASP 413 Ca 0.27 -0.24 -0.12 0.00 -0.00 0.00 0.00 52.55 52.46 3k5m s ASP 413 Cb 0.02 -0.82 0.02 0.00 -0.00 0.00 0.00 42.92 42.14 3k5m s ASP 413 CO 0.10 0.32 0.35 -1.20 -0.00 0.00 0.00 175.17 174.74 3k5m n SER 414 N 2.06 -7.52 -4.16 0.27 7.64 0.20 -4.43 113.62 107.70 3k5m n SER 414 Ca -0.17 0.73 -0.27 0.00 1.01 0.00 0.00 58.87 60.17 3k5m n SER 414 Cb 0.52 -4.48 -0.16 0.00 -1.01 0.00 0.00 64.21 59.08 3k5m n SER 414 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3k5m s VAL 415 N -1.96 1.56 0.12 0.44 1.01 -0.17 -1.86 120.40 119.54 3k5m s VAL 415 Ca 0.16 -0.78 0.06 0.00 0.00 0.00 0.00 61.98 61.41 3k5m s VAL 415 Cb -0.04 -1.34 -0.04 0.00 0.00 0.00 0.00 36.38 34.96 3k5m s VAL 415 CO 0.71 0.45 0.02 -0.76 0.00 0.00 0.00 175.10 175.51 3k5m s LEU 416 N 0.07 3.46 -0.15 3.92 1.43 0.34 -0.09 118.68 127.67 3k5m s LEU 416 Ca -0.06 -0.23 0.02 0.00 -1.03 0.00 0.00 54.13 52.83 3k5m s LEU 416 Cb -0.13 -2.16 0.01 0.00 0.03 0.00 0.00 46.19 43.95 3k5m s LEU 416 CO 0.03 0.14 -0.20 -0.69 0.23 0.00 0.00 176.35 175.85 3k5m s VAL 417 N -1.48 1.99 -0.18 -1.59 1.01 -0.60 0.41 120.40 119.96 3k5m s VAL 417 Ca 0.27 -0.92 -0.01 0.00 0.00 0.00 0.00 61.98 61.31 3k5m s VAL 417 Cb -0.11 -1.78 -0.00 0.00 0.00 0.00 0.00 36.38 34.49 3k5m s VAL 417 CO 0.19 0.53 -0.11 -0.76 0.00 0.00 0.00 175.10 174.95 3k5m s LEU 418 N 1.01 2.61 -0.13 3.92 1.43 -0.31 -2.26 118.68 124.95 3k5m s LEU 418 Ca -0.03 -0.45 0.02 0.00 -1.03 0.00 0.00 54.13 52.64 3k5m s LEU 418 Cb -0.15 -1.62 0.01 0.00 0.03 0.00 0.00 46.19 44.46 3k5m s LEU 418 CO -0.06 0.04 -0.19 -0.62 0.23 0.00 0.00 176.35 175.75 3k5m s ASP 419 N 1.11 2.80 -0.00 2.29 2.15 0.03 -0.19 116.67 124.86 3k5m s ASP 419 Ca 0.01 -0.52 -0.30 0.00 0.43 0.00 0.00 52.55 52.16 3k5m s ASP 419 Cb -0.14 -1.28 -0.05 0.00 -0.30 0.00 0.00 42.92 41.15 3k5m s ASP 419 CO -0.03 0.05 1.25 -0.31 -0.17 0.00 0.00 175.17 175.95 3k5m s TYR 420 N 0.90 3.20 0.08 -5.34 2.02 0.04 -0.15 117.35 118.10 3k5m s TYR 420 Ca -0.07 1.15 -0.31 0.00 -0.37 0.00 0.00 57.07 57.48 3k5m s TYR 420 Cb -0.15 -3.48 -0.07 0.00 -0.40 0.00 0.00 41.96 37.86 3k5m s TYR 420 CO -0.02 -1.57 1.35 0.21 -1.57 0.00 0.00 175.55 173.96 3k5m s LYS 421 N 1.85 4.33 -1.28 -0.62 2.20 0.84 -3.68 119.74 123.39 3k5m s LYS 421 Ca 0.59 1.99 -0.28 0.00 -0.36 0.00 0.00 55.97 57.91 3k5m s LYS 421 Cb -0.28 -3.35 0.04 0.00 -1.51 0.00 0.00 37.83 32.73 3k5m s LYS 421 CO 0.25 -0.44 0.55 0.43 -0.36 0.00 0.00 175.35 175.79 3k5m n SER 422 N 4.30 -3.11 0.06 1.43 7.64 -1.26 -4.58 113.62 118.09 3k5m n SER 422 Ca 0.11 -1.29 -0.11 0.00 1.01 0.00 0.00 58.87 58.59 3k5m n SER 422 Cb 0.43 -1.70 -0.06 0.00 -1.01 0.00 0.00 64.21 61.88 3k5m n SER 422 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 3k5m h LEU 423 N -2.47 -0.25 -0.58 -3.43 5.85 -1.96 0.38 115.31 112.85 3k5m h LEU 423 Ca -0.70 0.04 -0.05 0.00 0.84 0.00 0.00 57.88 58.00 3k5m h LEU 423 Cb 1.40 0.10 -0.02 0.00 0.37 0.00 0.00 40.66 42.51 3k5m h LEU 423 CO 0.56 -0.13 0.16 1.88 -0.34 0.00 0.00 178.44 180.57 3k5m h TYR 424 N -0.17 0.95 -0.83 1.25 0.05 -1.93 0.41 116.97 116.70 3k5m h TYR 424 Ca 0.03 -0.10 -0.03 0.00 0.05 0.00 0.00 58.73 58.68 3k5m h TYR 424 Cb 0.20 -0.27 -0.04 0.00 1.01 0.00 0.00 36.73 37.63 3k5m h TYR 424 CO -0.14 0.80 0.40 -1.35 -1.05 0.00 0.00 178.16 176.82 3k5m h PRO 425 N 0.82 1.19 -0.53 4.88 0.11 -1.81 0.17 132.00 136.83 3k5m h PRO 425 Ca 0.18 -0.17 -0.05 0.00 0.11 0.00 0.00 66.00 66.08 3k5m h PRO 425 Cb 0.31 -0.22 -0.02 0.00 0.11 0.00 0.00 31.00 31.18 3k5m h PRO 425 CO -0.00 0.91 0.13 0.66 -0.21 0.00 0.00 178.00 179.48 3k5m h SER 426 N 1.17 0.75 -0.39 -2.05 4.64 0.67 0.11 113.55 118.46 3k5m h SER 426 Ca 0.28 -0.13 -0.12 0.00 -0.47 0.00 0.00 61.79 61.35 3k5m h SER 426 Cb 0.11 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 61.99 3k5m h SER 426 CO -0.04 0.74 -0.23 0.40 -0.87 0.00 0.00 176.83 176.83 3k5m h ILE 427 N 0.78 1.28 -0.88 0.95 2.04 0.50 0.08 117.51 122.27 3k5m h ILE 427 Ca 0.17 -1.37 0.02 0.00 1.00 0.00 0.00 64.86 64.68 3k5m h ILE 427 Cb 0.28 1.32 -0.05 0.00 -0.74 0.00 0.00 36.82 37.64 3k5m h ILE 427 CO -0.00 0.46 0.57 0.40 0.00 0.00 0.00 178.15 179.58 3k5m h ILE 428 N 0.64 1.18 -0.14 -0.67 2.04 0.18 -0.00 117.51 120.74 3k5m h ILE 428 Ca 0.08 -0.39 -0.03 0.00 1.00 0.00 0.00 64.86 65.52 3k5m h ILE 428 Cb 0.79 -0.06 -0.00 0.00 -0.74 0.00 0.00 36.82 36.80 3k5m h ILE 428 CO 0.06 0.21 -0.04 0.03 0.00 0.00 0.00 178.15 178.41 3k5m h ARG 429 N 1.14 0.27 -0.26 2.37 3.08 -0.48 -2.23 114.38 118.28 3k5m h ARG 429 Ca 0.34 -0.11 -0.18 0.00 0.07 0.00 0.00 59.98 60.10 3k5m h ARG 429 Cb -0.05 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 29.98 3k5m h ARG 429 CO -0.10 0.57 -0.56 1.15 -1.07 0.00 0.00 179.97 179.96 3k5m h THR 430 N -0.03 1.28 -0.48 2.04 2.02 -0.75 -3.30 112.91 113.69 3k5m h THR 430 Ca 0.04 -1.76 0.00 0.00 0.77 0.00 0.00 66.41 65.46 3k5m h THR 430 Cb 0.47 1.67 0.00 0.00 -1.74 0.00 0.00 68.15 68.55 3k5m h THR 430 CO 0.01 0.57 0.00 0.49 0.37 0.00 0.00 175.52 176.96 3k5m n PHE 431 N -3.99 0.63 -3.80 3.16 3.72 -0.04 -4.55 117.46 112.59 3k5m n PHE 431 Ca -0.04 -0.37 -0.25 0.00 -0.05 0.00 0.00 57.45 56.74 3k5m n PHE 431 Cb 0.63 -0.01 0.03 0.00 -0.94 0.00 0.00 39.48 39.19 3k5m n PHE 431 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 3k5m n LEU 432 N 1.30 -2.84 -4.67 4.37 4.77 -0.86 -4.91 117.00 114.15 3k5m n LEU 432 Ca 0.19 -0.82 -0.42 0.00 -0.03 0.00 0.00 56.01 54.92 3k5m n LEU 432 Cb 0.55 -2.59 -0.03 0.00 -2.33 0.00 0.00 43.42 39.03 3k5m n LEU 432 CO 0.14 0.43 1.16 -0.63 -1.33 0.00 0.00 177.39 177.16 3k5m s ILE 433 N -3.57 3.85 -0.24 -0.08 -1.09 -1.09 -4.74 121.20 114.23 3k5m s ILE 433 Ca 0.23 1.14 -0.26 0.00 -2.23 0.00 0.00 60.65 59.53 3k5m s ILE 433 Cb -0.11 -3.73 0.08 0.00 -1.58 0.00 0.00 42.46 37.11 3k5m s ILE 433 CO 0.82 -0.05 0.78 -0.62 -1.23 0.00 0.00 174.94 174.65 3k5m s ASP 434 N 2.22 -0.68 0.09 3.58 2.15 -1.26 -4.52 116.67 118.26 3k5m s ASP 434 Ca 0.63 1.23 -0.22 0.00 0.43 0.00 0.00 52.55 54.62 3k5m s ASP 434 Cb -0.29 1.22 -0.13 0.00 -0.30 0.00 0.00 42.92 43.42 3k5m s ASP 434 CO 0.24 -0.28 1.72 -0.65 -0.17 0.00 0.00 175.17 176.03 3k5m h PRO 435 N 4.55 0.09 -0.42 4.34 0.11 -1.93 0.38 132.00 139.13 3k5m h PRO 435 Ca -0.28 -0.01 -0.12 0.00 0.11 0.00 0.00 66.00 65.70 3k5m h PRO 435 Cb 1.16 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 3k5m h PRO 435 CO 0.11 0.09 -0.21 0.28 -0.21 0.00 0.00 178.00 178.06 3k5m h VAL 436 N 0.06 1.28 -0.55 3.15 2.07 -1.97 -2.95 116.25 117.34 3k5m h VAL 436 Ca 0.02 -1.36 0.03 0.00 0.82 0.00 0.00 66.70 66.21 3k5m h VAL 436 Cb 0.02 1.25 -0.03 0.00 -1.52 0.00 0.00 31.29 31.02 3k5m h VAL 436 CO -0.00 0.46 0.37 1.23 0.02 0.00 0.00 177.57 179.64 3k5m h GLY 437 N 0.71 0.73 0.93 2.17 0.00 -1.55 -1.20 103.07 104.85 3k5m h GLY 437 Ca 0.09 -0.25 -0.08 0.00 0.00 0.00 0.00 47.33 47.09 3k5m h GLY 437 CO 0.06 0.23 -0.09 -2.00 0.00 0.00 0.00 176.54 174.74 3k5m h LEU 438 N 0.65 0.66 -0.06 3.11 5.85 -0.79 1.23 115.31 125.96 3k5m h LEU 438 Ca 0.22 -0.37 0.01 0.00 0.84 0.00 0.00 57.88 58.58 3k5m h LEU 438 Cb 0.07 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 40.92 3k5m h LEU 438 CO -0.06 0.88 0.00 0.58 -0.34 0.00 0.00 178.44 179.51 3k5m h VAL 439 N 0.44 0.97 -0.70 1.05 2.07 -1.19 0.38 116.25 119.27 3k5m h VAL 439 Ca 0.08 -0.01 -0.05 0.00 0.82 0.00 0.00 66.70 67.54 3k5m h VAL 439 Cb 0.60 0.94 -0.03 0.00 -1.52 0.00 0.00 31.29 31.28 3k5m h VAL 439 CO 0.04 0.00 0.23 -0.33 0.02 0.00 0.00 177.57 177.53 3k5m h GLU 440 N 0.03 1.09 -0.14 1.57 4.39 -1.12 -2.83 114.58 117.57 3k5m h GLU 440 Ca 0.03 -0.23 0.00 0.00 0.34 0.00 0.00 59.36 59.50 3k5m h GLU 440 Cb 0.03 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 28.51 3k5m h GLU 440 CO -0.04 0.93 0.09 0.78 -1.16 0.00 0.00 179.01 179.60 3k5m h GLY 441 N 1.03 0.19 1.75 -3.84 0.00 0.20 -2.70 103.07 99.71 3k5m h GLY 441 Ca 0.23 -0.07 -0.00 0.00 0.00 0.00 0.00 47.33 47.48 3k5m h GLY 441 CO -0.01 0.07 0.14 -0.33 0.00 0.00 0.00 176.54 176.41 3k5m h MET 442 N 0.17 0.33 -0.46 4.80 2.86 -0.84 -0.97 114.93 120.82 3k5m h MET 442 Ca 0.05 -0.02 -0.07 0.00 -2.06 0.00 0.00 59.70 57.59 3k5m h MET 442 Cb -0.01 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 31.56 3k5m h MET 442 CO -0.01 0.24 -0.01 0.00 1.06 0.00 0.00 176.91 178.19 3k5m h ALA 443 N 1.82 1.12 -2.49 6.32 0.00 -1.28 -3.31 119.26 121.44 3k5m h ALA 443 Ca 0.09 -0.26 -0.60 0.00 0.00 0.00 0.00 54.91 54.14 3k5m h ALA 443 Cb 0.00 -0.19 -0.41 0.00 0.00 0.00 0.00 17.79 17.20 3k5m h ALA 443 CO -0.02 0.56 -0.75 1.04 0.00 0.00 0.00 179.25 180.08 3k5m n GLN 444 N -4.21 1.51 -1.34 0.00 6.02 -0.45 -5.00 117.38 113.91 3k5m n GLN 444 Ca 0.02 -4.06 -0.38 0.00 -0.01 0.00 0.00 57.00 52.57 3k5m n GLN 444 Cb 0.30 -1.97 -0.02 0.00 1.02 0.00 0.00 30.24 29.57 3k5m n GLN 444 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 3k5m n PRO 445 N 1.72 3.01 -4.06 -1.09 -0.04 -0.73 -4.25 135.00 129.55 3k5m n PRO 445 Ca 0.25 -2.18 -0.08 0.00 -0.04 0.00 0.00 63.50 61.45 3k5m n PRO 445 Cb 0.42 -2.91 -0.10 0.00 -0.04 0.00 0.00 33.50 30.87 3k5m n PRO 445 CO 0.00 0.00 0.00 0.16 -0.04 0.00 0.00 175.50 175.62 3k5m s ASP 446 N 2.93 0.51 0.37 3.54 1.47 -1.26 -5.02 116.67 119.20 3k5m s ASP 446 Ca 0.57 -0.83 0.09 0.00 1.18 0.00 0.00 52.55 53.57 3k5m s ASP 446 Cb 0.15 0.15 0.84 0.00 -0.34 0.00 0.00 42.92 43.72 3k5m s ASP 446 CO -0.05 -0.47 1.89 1.55 0.68 0.00 0.00 175.17 178.77 3k5m h PRO 447 N 3.65 0.64 -0.06 2.11 0.13 -1.89 0.40 132.00 136.98 3k5m h PRO 447 Ca -0.34 -0.04 -0.02 0.00 -0.87 0.00 0.00 66.00 64.73 3k5m h PRO 447 Cb 1.17 -0.14 -0.00 0.00 0.13 0.00 0.00 31.00 32.15 3k5m h PRO 447 CO 0.57 0.43 -0.06 1.49 -0.23 0.00 0.00 178.00 180.20 3k5m h GLU 448 N 0.66 0.15 0.00 0.86 4.57 -1.97 -3.33 114.58 115.53 3k5m h GLU 448 Ca 0.42 -0.08 -0.16 0.00 -1.18 0.00 0.00 59.36 58.36 3k5m h GLU 448 Cb 0.67 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.24 3k5m h GLU 448 CO -0.18 0.59 -0.77 0.45 -1.18 0.00 0.00 179.01 177.92 3k5m h HIS 449 N -0.29 0.00 -4.61 0.92 3.86 -1.80 -3.47 115.15 109.75 3k5m h HIS 449 Ca 0.01 0.00 -0.30 0.00 -1.16 0.00 0.00 60.37 58.92 3k5m h HIS 449 Cb 0.56 0.00 -0.14 0.00 1.06 0.00 0.00 27.41 28.89 3k5m h HIS 449 CO 0.09 0.77 -0.54 -1.12 0.86 0.00 0.00 177.93 177.99 3k5m s SER 450 N -6.61 0.59 -0.04 2.45 0.01 0.14 -1.57 113.70 108.67 3k5m s SER 450 Ca 0.02 -1.47 0.04 0.00 1.31 0.00 0.00 55.95 55.85 3k5m s SER 450 Cb 0.09 0.45 -0.00 0.00 0.21 0.00 0.00 66.02 66.77 3k5m s SER 450 CO 0.78 -0.94 -0.16 0.28 0.41 0.00 0.00 173.24 173.62 3k5m s THR 451 N -3.91 1.37 0.46 1.44 -1.32 -0.33 -4.02 115.64 109.32 3k5m s THR 451 Ca 0.38 -0.68 -0.23 0.00 -1.21 0.00 0.00 61.69 59.96 3k5m s THR 451 Cb 0.05 -1.18 -0.07 0.00 -1.51 0.00 0.00 72.50 69.79 3k5m s THR 451 CO 0.17 0.40 1.15 -1.61 -2.21 0.00 0.00 174.62 172.52 3k5m s GLU 452 N 0.08 3.77 0.00 7.08 0.41 -1.26 -1.64 118.70 127.13 3k5m s GLU 452 Ca -0.04 1.74 0.00 0.00 -0.41 0.00 0.00 54.97 56.26 3k5m s GLU 452 Cb -0.11 -2.39 0.00 0.00 -1.78 0.00 0.00 34.13 29.84 3k5m s GLU 452 CO 0.02 -0.54 0.00 0.41 -0.49 0.00 0.00 175.26 174.66 3k5m n GLY 453 N 0.41 7.16 3.97 -1.39 0.00 0.06 -4.91 105.19 110.49 3k5m n GLY 453 Ca 0.07 -1.96 -0.18 0.00 0.00 0.00 0.00 46.02 43.95 3k5m n GLY 453 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3k5m s PHE 454 N 0.53 2.84 -1.51 1.61 0.08 -1.26 -4.14 117.98 116.13 3k5m s PHE 454 Ca 0.00 -0.38 -0.05 0.00 0.12 0.00 0.00 56.93 56.61 3k5m s PHE 454 Cb 0.00 -2.24 0.02 0.00 -0.57 0.00 0.00 43.02 40.23 3k5m s PHE 454 CO 0.00 -0.26 0.53 1.28 -0.10 0.00 0.00 175.22 176.67 3k5m n LEU 455 N -1.73 -2.38 -0.46 -0.37 4.77 -1.26 -1.43 117.00 114.15 3k5m n LEU 455 Ca 0.05 -0.27 -0.06 0.00 -0.03 0.00 0.00 56.01 55.70 3k5m n LEU 455 Cb 0.59 -2.79 -0.03 0.00 -2.33 0.00 0.00 43.42 38.87 3k5m n LEU 455 CO 0.40 0.18 -0.06 0.47 -1.33 0.00 0.00 177.39 177.06 3k5m n ASP 456 N -2.43 -3.98 -4.78 -1.43 8.00 -1.26 -4.95 116.55 105.72 3k5m n ASP 456 Ca -0.10 0.15 -0.36 0.00 0.71 0.00 0.00 54.79 55.18 3k5m n ASP 456 Cb 0.61 -2.01 -0.02 0.00 -0.02 0.00 0.00 41.12 39.68 3k5m n ASP 456 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3k5m s ALA 457 N -2.13 2.96 -0.04 2.24 0.00 -0.52 -4.93 121.76 119.35 3k5m s ALA 457 Ca 0.00 0.77 0.02 0.00 0.00 0.00 0.00 51.96 52.75 3k5m s ALA 457 Cb 0.00 -3.31 0.02 0.00 0.00 0.00 0.00 23.12 19.82 3k5m s ALA 457 CO 0.00 -0.44 -0.06 -1.58 0.00 0.00 0.00 175.76 173.68 3k5m s TRP 458 N -1.70 0.85 -0.12 0.00 0.52 -1.26 -0.77 118.94 116.47 3k5m s TRP 458 Ca 0.63 -0.24 0.02 0.00 0.02 0.00 0.00 56.10 56.53 3k5m s TRP 458 Cb -0.23 -0.69 -0.00 0.00 -1.15 0.00 0.00 33.47 31.40 3k5m s TRP 458 CO 0.28 -0.17 -0.20 -0.06 0.02 0.00 0.00 176.95 176.83 3k5m s PHE 459 N 0.66 2.67 0.14 -1.98 0.08 -0.65 -3.54 117.98 115.35 3k5m s PHE 459 Ca -0.10 -0.94 -0.31 0.00 0.12 0.00 0.00 56.93 55.70 3k5m s PHE 459 Cb -0.13 -1.78 -0.10 0.00 -0.57 0.00 0.00 43.02 40.44 3k5m s PHE 459 CO 0.01 -0.37 1.75 0.45 -0.10 0.00 0.00 175.22 176.95 3k5m s SER 460 N 0.42 6.46 0.28 1.36 0.15 -0.03 -1.19 113.70 121.15 3k5m s SER 460 Ca -0.14 2.73 0.05 0.00 0.70 0.00 0.00 55.95 59.28 3k5m s SER 460 Cb -0.17 -2.58 0.42 0.00 -1.71 0.00 0.00 66.02 61.98 3k5m s SER 460 CO 0.06 -0.96 1.69 0.03 1.20 0.00 0.00 173.24 175.27 3k5m h ARG 461 N 7.94 0.32 0.00 5.44 3.08 -1.62 -3.35 114.38 126.20 3k5m h ARG 461 Ca -0.44 -0.15 -0.11 0.00 0.07 0.00 0.00 59.98 59.35 3k5m h ARG 461 Cb 1.21 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 31.23 3k5m h ARG 461 CO 0.94 0.66 -1.99 0.39 -1.07 0.00 0.00 179.97 178.91 3k5m n GLU 462 N -4.05 0.75 -3.95 0.04 -0.58 -1.26 -4.90 120.64 106.70 3k5m n GLU 462 Ca -0.01 -0.12 -0.34 0.00 -0.42 0.00 0.00 57.16 56.27 3k5m n GLU 462 Cb 0.47 -1.45 -0.14 0.00 -0.57 0.00 0.00 31.44 29.74 3k5m n GLU 462 CO 0.00 0.00 0.00 0.21 -0.48 0.00 0.00 177.13 176.86 3k5m s LYS 463 N -3.03 2.39 0.10 3.49 2.20 -1.26 -5.07 119.74 118.56 3k5m s LYS 463 Ca -0.08 -1.28 -0.25 0.00 -0.36 0.00 0.00 55.97 54.00 3k5m s LYS 463 Cb 0.10 -3.10 0.08 0.00 -1.51 0.00 0.00 37.83 33.40 3k5m s LYS 463 CO 0.77 -0.60 0.71 -3.38 -0.36 0.00 0.00 175.35 172.49 3k5m s HIS 464 N 1.21 -0.46 0.00 4.03 -3.43 -1.26 -3.52 115.29 111.86 3k5m s HIS 464 Ca -0.06 0.28 0.00 0.00 -0.80 0.00 0.00 55.06 54.48 3k5m s HIS 464 Cb -0.20 0.55 0.00 0.00 -1.43 0.00 0.00 32.58 31.51 3k5m s HIS 464 CO -0.02 -0.74 0.00 0.00 -2.00 0.00 0.00 174.74 171.98 3k5m h LEU 466 N 0.00 1.14 -0.62 0.00 5.85 -1.97 -2.35 115.31 117.36 3k5m h LEU 466 Ca 0.00 -0.03 0.08 0.00 0.84 0.00 0.00 57.88 58.77 3k5m h LEU 466 Cb 0.97 -0.28 -0.06 0.00 0.37 0.00 0.00 40.66 41.66 3k5m h LEU 466 CO 0.00 0.82 0.28 -0.65 -0.34 0.00 0.00 178.44 178.54 3k5m h PRO 467 N 1.34 0.49 -0.80 5.25 0.11 -1.83 0.12 132.00 136.67 3k5m h PRO 467 Ca 0.37 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 66.41 3k5m h PRO 467 Cb -0.13 -0.11 -0.04 0.00 0.11 0.00 0.00 31.00 30.84 3k5m h PRO 467 CO -0.09 0.32 0.33 0.93 -0.21 0.00 0.00 178.00 179.29 3k5m h GLU 468 N 0.50 1.18 -0.26 1.05 3.07 -1.76 -0.25 114.58 118.12 3k5m h GLU 468 Ca 0.30 -0.20 -0.04 0.00 -0.50 0.00 0.00 59.36 58.92 3k5m h GLU 468 Cb 0.30 -0.20 -0.01 0.00 -0.84 0.00 0.00 28.75 28.01 3k5m h GLU 468 CO -0.25 0.95 0.02 0.82 -1.40 0.00 0.00 179.01 179.14 3k5m h ILE 469 N 1.16 1.24 -0.86 3.13 2.04 -0.93 -2.01 117.51 121.29 3k5m h ILE 469 Ca 0.27 -0.85 0.00 0.00 1.00 0.00 0.00 64.86 65.28 3k5m h ILE 469 Cb 0.19 1.30 -0.04 0.00 -0.74 0.00 0.00 36.82 37.53 3k5m h ILE 469 CO -0.02 0.27 0.55 0.58 0.00 0.00 0.00 178.15 179.52 3k5m h VAL 470 N 0.24 1.23 -0.38 1.67 2.07 -0.47 -2.56 116.25 118.05 3k5m h VAL 470 Ca 0.08 -0.46 -0.00 0.00 0.82 0.00 0.00 66.70 67.13 3k5m h VAL 470 Cb 0.38 -0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.12 3k5m h VAL 470 CO 0.01 0.23 0.22 0.74 0.02 0.00 0.00 177.57 178.80 3k5m h THR 471 N 1.18 1.13 -0.40 2.57 2.02 -0.86 0.45 112.91 119.01 3k5m h THR 471 Ca 0.31 -0.31 -0.00 0.00 0.77 0.00 0.00 66.41 67.19 3k5m h THR 471 Cb -0.09 0.65 -0.02 0.00 -1.74 0.00 0.00 68.15 66.94 3k5m h THR 471 CO -0.06 0.13 0.24 0.78 0.37 0.00 0.00 175.52 176.97 3k5m h ASN 472 N 0.49 0.48 -0.17 4.18 -0.26 -1.10 -1.63 115.58 117.58 3k5m h ASN 472 Ca 0.14 -0.06 -0.08 0.00 -0.56 0.00 0.00 56.30 55.74 3k5m h ASN 472 Cb 0.01 -0.12 -0.02 0.00 -1.06 0.00 0.00 38.32 37.14 3k5m h ASN 472 CO -0.02 0.39 -0.14 0.40 -1.06 0.00 0.00 177.43 177.00 3k5m h ILE 473 N 0.52 1.24 -0.70 2.81 2.04 -1.27 -2.04 117.51 120.11 3k5m h ILE 473 Ca 0.14 -1.09 -0.05 0.00 1.00 0.00 0.00 64.86 64.86 3k5m h ILE 473 Cb 0.00 1.16 -0.03 0.00 -0.74 0.00 0.00 36.82 37.21 3k5m h ILE 473 CO -0.03 0.36 0.22 -0.25 0.00 0.00 0.00 178.15 178.46 3k5m h TRP 474 N 0.50 1.10 -0.37 1.37 2.91 -0.48 -0.51 115.95 120.48 3k5m h TRP 474 Ca 0.09 -0.10 -0.08 0.00 1.13 0.00 0.00 58.89 59.93 3k5m h TRP 474 Cb 0.54 -0.32 -0.02 0.00 -0.51 0.00 0.00 29.16 28.85 3k5m h TRP 474 CO 0.02 0.87 -0.12 0.45 -1.03 0.00 0.00 178.44 178.63 3k5m h HIS 475 N 1.03 0.70 -0.27 2.65 3.86 -0.84 -1.58 115.15 120.71 3k5m h HIS 475 Ca 0.23 -0.12 -0.09 0.00 -1.16 0.00 0.00 60.37 59.23 3k5m h HIS 475 Cb 0.28 -0.18 -0.01 0.00 1.06 0.00 0.00 27.41 28.55 3k5m h HIS 475 CO 0.02 0.74 -0.22 0.78 0.86 0.00 0.00 177.93 180.11 3k5m h GLY 476 N 0.96 0.54 1.03 2.45 0.00 -0.65 -1.68 103.07 105.72 3k5m h GLY 476 Ca 0.10 -0.42 -0.11 0.00 0.00 0.00 0.00 47.33 46.90 3k5m h GLY 476 CO 0.03 0.39 -0.15 -0.09 0.00 0.00 0.00 176.54 176.72 3k5m h ARG 477 N 0.44 0.88 -0.94 4.80 2.43 -0.47 -1.69 114.38 119.84 3k5m h ARG 477 Ca 0.07 -0.35 0.03 0.00 -0.81 0.00 0.00 59.98 58.91 3k5m h ARG 477 Cb 0.63 -0.04 -0.05 0.00 -0.42 0.00 0.00 29.97 30.08 3k5m h ARG 477 CO 0.04 1.00 0.61 -0.44 -1.51 0.00 0.00 179.97 179.68 3k5m h ASP 478 N 0.71 1.03 -0.32 -3.80 3.32 -0.99 0.01 116.42 116.38 3k5m h ASP 478 Ca 0.11 -0.01 -0.05 0.00 0.02 0.00 0.00 57.03 57.09 3k5m h ASP 478 Cb 0.70 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.99 3k5m h ASP 478 CO 0.05 0.72 0.05 -0.08 -1.72 0.00 0.00 179.24 178.26 3k5m h GLU 479 N 1.21 0.63 -0.55 3.56 4.57 -0.95 -0.61 114.58 122.43 3k5m h GLU 479 Ca 0.37 -0.13 -0.08 0.00 -1.18 0.00 0.00 59.36 58.34 3k5m h GLU 479 Cb -0.04 -0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 28.44 3k5m h GLU 479 CO -0.11 0.61 0.03 0.00 -1.18 0.00 0.00 179.01 178.37 3k5m h ALA 480 N 1.45 0.74 -0.58 2.92 0.00 -0.15 -0.30 119.26 123.33 3k5m h ALA 480 Ca 0.13 -0.28 -0.06 0.00 0.00 0.00 0.00 54.91 54.70 3k5m h ALA 480 Cb 0.31 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 3k5m h ALA 480 CO 0.01 0.53 0.13 0.87 0.00 0.00 0.00 179.25 180.79 3k5m h LYS 481 N 0.83 0.94 -0.86 0.00 1.57 -0.62 0.72 116.57 119.14 3k5m h LYS 481 Ca 0.16 -0.23 -0.02 0.00 -1.87 0.00 0.00 60.65 58.69 3k5m h LYS 481 Cb 0.49 -0.12 -0.04 0.00 0.08 0.00 0.00 32.23 32.64 3k5m h LYS 481 CO 0.02 0.87 0.46 -0.09 -0.57 0.00 0.00 179.45 180.15 3k5m h ARG 482 N 0.84 1.21 0.00 3.15 2.43 -0.77 -1.40 114.38 119.84 3k5m h ARG 482 Ca 0.18 -0.15 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 3k5m h ARG 482 Cb 0.36 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 29.67 3k5m h ARG 482 CO 0.00 0.90 0.00 1.04 -1.51 0.00 0.00 179.97 180.40 3k5m n GLN 483 N -4.35 0.05 -1.02 0.20 6.02 -0.15 -4.88 117.38 113.24 3k5m n GLN 483 Ca 0.09 0.04 -0.01 0.00 -0.01 0.00 0.00 57.00 57.11 3k5m n GLN 483 Cb 0.10 -1.50 -0.00 0.00 1.02 0.00 0.00 30.24 29.86 3k5m n GLN 483 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3k5m n GLY 484 N 1.22 0.45 3.49 1.08 0.00 -0.30 -4.96 105.19 106.17 3k5m n GLY 484 Ca 0.07 -0.80 -0.43 0.00 0.00 0.00 0.00 46.02 44.86 3k5m n GLY 484 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3k5m s ASN 485 N -2.75 6.71 0.23 1.61 3.84 0.09 -4.86 114.94 119.81 3k5m s ASN 485 Ca 0.00 -2.13 -0.05 0.00 0.21 0.00 0.00 52.86 50.89 3k5m s ASN 485 Cb 0.00 -2.46 0.23 0.00 -0.55 0.00 0.00 41.25 38.47 3k5m s ASN 485 CO 0.00 -1.12 1.74 0.11 -2.79 0.00 0.00 177.10 175.04 3k5m h LYS 486 N 8.61 0.99 -0.20 0.43 1.57 -1.93 -1.67 116.57 124.36 3k5m h LYS 486 Ca 0.23 -0.24 -0.02 0.00 -1.87 0.00 0.00 60.65 58.74 3k5m h LYS 486 Cb 0.98 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 33.15 3k5m h LYS 486 CO 1.25 0.91 0.04 -1.35 -0.57 0.00 0.00 179.45 179.73 3k5m h PRO 487 N 0.93 0.33 -0.70 3.15 0.11 -1.89 -2.51 132.00 131.42 3k5m h PRO 487 Ca 0.19 -0.08 -0.03 0.00 0.11 0.00 0.00 66.00 66.19 3k5m h PRO 487 Cb 0.40 -0.04 -0.03 0.00 0.11 0.00 0.00 31.00 31.44 3k5m h PRO 487 CO 0.01 0.47 0.33 1.25 -0.21 0.00 0.00 178.00 179.84 3k5m h LEU 488 N 0.13 0.93 -0.25 2.35 5.85 -1.87 -1.50 115.31 120.95 3k5m h LEU 488 Ca 0.06 -0.14 0.03 0.00 0.84 0.00 0.00 57.88 58.67 3k5m h LEU 488 Cb 0.30 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.05 3k5m h LEU 488 CO 0.00 0.81 0.05 -1.28 -0.34 0.00 0.00 178.44 177.68 3k5m h SER 489 N 0.98 0.00 -0.70 1.25 0.87 -1.24 -0.97 113.55 113.74 3k5m h SER 489 Ca 0.24 0.04 -0.07 0.00 -1.23 0.00 0.00 61.79 60.77 3k5m h SER 489 Cb 0.14 0.05 -0.03 0.00 -0.44 0.00 0.00 62.40 62.12 3k5m h SER 489 CO -0.03 0.04 0.18 -0.61 -0.53 0.00 0.00 176.83 175.88 3k5m h GLN 490 N 0.14 1.13 -0.62 2.24 5.75 -1.21 -1.92 115.11 120.62 3k5m h GLN 490 Ca 0.11 -0.26 -0.05 0.00 -0.15 0.00 0.00 58.65 58.30 3k5m h GLN 490 Cb 0.11 -0.15 -0.03 0.00 1.07 0.00 0.00 27.48 28.49 3k5m h GLN 490 CO -0.15 0.98 0.17 0.00 -2.65 0.00 0.00 178.83 177.18 3k5m h ALA 491 N 1.12 1.13 -0.20 3.38 0.00 -0.87 0.38 119.26 124.20 3k5m h ALA 491 Ca 0.22 -0.21 -0.13 0.00 0.00 0.00 0.00 54.91 54.79 3k5m h ALA 491 Cb 0.36 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3k5m h ALA 491 CO 0.00 0.59 -0.43 -0.07 0.00 0.00 0.00 179.25 179.34 3k5m h LEU 492 N 0.91 0.52 -0.30 0.00 3.38 -1.00 0.23 115.31 119.05 3k5m h LEU 492 Ca 0.20 -0.24 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 3k5m h LEU 492 Cb 0.30 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 3k5m h LEU 492 CO -0.00 0.88 0.12 0.50 0.09 0.00 0.00 178.44 180.03 3k5m h LYS 493 N 0.39 0.45 -0.38 1.13 3.64 -0.74 -0.37 116.57 120.70 3k5m h LYS 493 Ca 0.03 -0.08 -0.04 0.00 -1.27 0.00 0.00 60.65 59.28 3k5m h LYS 493 Cb 0.92 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.66 3k5m h LYS 493 CO 0.08 0.47 0.07 0.82 -2.27 0.00 0.00 179.45 178.62 3k5m h ILE 494 N 0.33 1.24 -0.64 2.00 1.08 -0.73 -0.97 117.51 119.83 3k5m h ILE 494 Ca 0.10 -0.82 0.03 0.00 -0.39 0.00 0.00 64.86 63.77 3k5m h ILE 494 Cb 0.19 1.05 -0.04 0.00 -3.07 0.00 0.00 36.82 34.95 3k5m h ILE 494 CO -0.01 0.28 0.39 0.40 -0.69 0.00 0.00 178.15 178.53 3k5m h ILE 495 N 0.46 1.07 -0.52 -0.67 2.04 -0.24 0.40 117.51 120.05 3k5m h ILE 495 Ca 0.12 -0.26 -0.04 0.00 1.00 0.00 0.00 64.86 65.67 3k5m h ILE 495 Cb 0.34 0.24 -0.02 0.00 -0.74 0.00 0.00 36.82 36.64 3k5m h ILE 495 CO 0.01 0.14 0.18 0.24 0.00 0.00 0.00 178.15 178.71 3k5m h MET 496 N 0.77 0.81 -0.43 2.37 2.86 -0.89 -2.45 114.93 117.98 3k5m h MET 496 Ca 0.26 -0.17 -0.04 0.00 -2.06 0.00 0.00 59.70 57.69 3k5m h MET 496 Cb 0.03 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 31.55 3k5m h MET 496 CO -0.11 0.74 0.08 -0.91 1.06 0.00 0.00 176.91 177.77 3k5m h ASN 497 N 0.72 0.60 0.60 1.22 2.35 -0.33 -2.06 115.58 118.67 3k5m h ASN 497 Ca 0.17 -0.10 -0.01 0.00 -0.55 0.00 0.00 56.30 55.81 3k5m h ASN 497 Cb 0.26 -0.16 -0.00 0.00 0.05 0.00 0.00 38.32 38.47 3k5m h ASN 497 CO -0.01 0.61 -0.05 0.00 -1.65 0.00 0.00 177.43 176.33 3k5m h ALA 498 N 1.47 1.07 -0.28 -0.83 0.00 0.23 -1.45 119.26 119.47 3k5m h ALA 498 Ca 0.14 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.92 3k5m h ALA 498 Cb 0.27 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3k5m h ALA 498 CO 0.00 0.06 -0.19 0.74 0.00 0.00 0.00 179.25 179.87 3k5m h PHE 499 N 0.00 0.57 -0.33 0.00 0.04 -1.03 -1.81 116.94 114.38 3k5m h PHE 499 Ca -0.00 -0.11 -0.10 0.00 2.80 0.00 0.00 57.97 60.56 3k5m h PHE 499 Cb 0.36 -0.15 -0.01 0.00 2.20 0.00 0.00 35.95 38.36 3k5m h PHE 499 CO 0.00 0.68 -0.19 -0.92 -0.60 0.00 0.00 178.31 177.27 3k5m h TYR 500 N 0.47 0.82 -0.74 -0.55 3.20 -1.34 -3.32 116.97 115.51 3k5m h TYR 500 Ca 0.08 -0.22 0.02 0.00 3.14 0.00 0.00 58.73 61.75 3k5m h TYR 500 Cb 0.59 -0.19 -0.04 0.00 1.54 0.00 0.00 36.73 38.64 3k5m h TYR 500 CO 0.02 0.94 0.48 0.78 -1.64 0.00 0.00 178.16 178.74 3k5m h GLY 501 N 0.47 1.06 1.87 1.82 0.00 -0.89 -2.85 103.07 104.54 3k5m h GLY 501 Ca 0.07 -0.37 -0.10 0.00 0.00 0.00 0.00 47.33 46.93 3k5m h GLY 501 CO 0.05 0.34 -0.40 -0.39 0.00 0.00 0.00 176.54 176.15 3k5m h VAL 502 N 0.96 1.30 0.00 4.60 -1.51 -1.47 -2.77 116.25 117.36 3k5m h VAL 502 Ca 0.28 -1.45 0.00 0.00 -1.23 0.00 0.00 66.70 64.30 3k5m h VAL 502 Cb -0.05 1.70 0.00 0.00 -2.13 0.00 0.00 31.29 30.81 3k5m h VAL 502 CO -0.08 0.43 0.00 -0.07 -1.23 0.00 0.00 177.57 176.61 3k5m h LEU 503 N 0.12 0.00 -2.19 4.19 3.38 -1.60 -2.57 115.31 116.65 3k5m h LEU 503 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3k5m h LEU 503 Cb 0.76 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.51 3k5m h LEU 503 CO 0.06 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.20 3k5m n GLY 504 N -0.53 1.43 3.37 0.83 0.00 -1.05 -1.82 105.19 107.43 3k5m n GLY 504 Ca -0.01 -0.68 -0.32 0.00 0.00 0.00 0.00 46.02 45.02 3k5m n GLY 504 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3k5m s THR 505 N -1.54 2.53 -1.14 2.61 -1.32 -0.97 -4.88 115.64 110.93 3k5m s THR 505 Ca 0.33 -0.91 0.09 0.00 -1.21 0.00 0.00 61.69 59.99 3k5m s THR 505 Cb 0.20 -1.95 0.10 0.00 -1.51 0.00 0.00 72.50 69.34 3k5m s THR 505 CO 0.29 0.58 1.26 0.35 -2.21 0.00 0.00 174.62 174.88 3k5m n THR 506 N 2.62 1.18 0.30 5.08 -2.24 -1.26 -1.51 114.28 118.45 3k5m n THR 506 Ca -0.17 0.30 0.18 0.00 -2.27 0.00 0.00 64.05 62.09 3k5m n THR 506 Cb 0.52 -1.14 0.79 0.00 -2.10 0.00 0.00 70.33 68.40 3k5m n THR 506 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3k5m h ALA 507 N 2.36 1.00 -3.04 6.98 0.00 -1.94 -3.42 119.26 121.19 3k5m h ALA 507 Ca 0.00 0.00 -0.63 0.00 0.00 0.00 0.00 54.91 54.28 3k5m h ALA 507 Cb 0.13 0.00 -0.11 0.00 0.00 0.00 0.00 17.79 17.82 3k5m h ALA 507 CO 0.00 0.00 -0.50 0.00 0.00 0.00 0.00 179.25 178.75 3k5m h ARG 509 N 6.00 0.00 -0.64 0.00 0.11 -1.83 -1.57 114.38 116.45 3k5m h ARG 509 Ca -0.46 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.62 3k5m h ARG 509 Cb 1.18 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.26 3k5m h ARG 509 CO 0.68 0.00 0.00 1.19 0.10 0.00 0.00 179.97 181.95 3k5m n PHE 510 N -3.18 1.50 -1.76 4.08 3.72 -1.26 -4.59 117.46 115.97 3k5m n PHE 510 Ca -0.03 -0.57 -0.42 0.00 -0.05 0.00 0.00 57.45 56.38 3k5m n PHE 510 Cb 0.09 -0.29 -0.03 0.00 -0.94 0.00 0.00 39.48 38.31 3k5m n PHE 510 CO 0.00 0.00 0.00 0.12 -0.05 0.00 0.00 176.76 176.83 3k5m s PHE 511 N -2.03 2.90 -0.30 1.38 5.36 -0.59 -4.83 117.98 119.88 3k5m s PHE 511 Ca 0.47 0.45 -0.11 0.00 -0.96 0.00 0.00 56.93 56.78 3k5m s PHE 511 Cb 0.32 -4.10 0.12 0.00 -0.34 0.00 0.00 43.02 39.02 3k5m s PHE 511 CO 0.20 -4.08 0.66 0.34 -1.46 0.00 0.00 175.22 170.89 3k5m s ASP 512 N 1.06 -1.10 0.55 6.13 3.68 -0.75 -4.64 116.67 121.59 3k5m s ASP 512 Ca 0.72 1.56 0.22 0.00 2.13 0.00 0.00 52.55 57.18 3k5m s ASP 512 Cb -0.49 2.12 1.45 0.00 -1.45 0.00 0.00 42.92 44.55 3k5m s ASP 512 CO 0.35 -0.22 2.12 -0.65 0.13 0.00 0.00 175.17 176.90 3k5m h PRO 513 N 7.79 0.00 -0.39 4.34 0.11 -1.82 0.41 132.00 142.44 3k5m h PRO 513 Ca -0.20 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.86 3k5m h PRO 513 Cb 1.13 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.22 3k5m h PRO 513 CO 0.11 0.00 0.03 0.00 -0.21 0.00 0.00 178.00 177.93 3k5m h ARG 514 N 0.00 0.60 0.06 1.05 3.08 -1.92 -0.28 114.38 116.96 3k5m h ARG 514 Ca 0.07 -0.13 -0.00 0.00 0.07 0.00 0.00 59.98 59.99 3k5m h ARG 514 Cb 0.31 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.27 3k5m h ARG 514 CO -0.00 0.60 -0.03 -0.07 -1.07 0.00 0.00 179.97 179.41 3k5m h LEU 515 N 0.58 -0.06 -0.20 3.04 3.38 -0.49 -2.45 115.31 119.11 3k5m h LEU 515 Ca 0.12 -0.45 -0.02 0.00 0.09 0.00 0.00 57.88 57.62 3k5m h LEU 515 Cb 0.33 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 3k5m h LEU 515 CO 0.01 0.44 0.05 0.00 0.09 0.00 0.00 178.44 179.03 3k5m h ALA 516 N 0.30 0.26 -0.50 1.53 0.00 -1.45 -2.96 119.26 116.43 3k5m h ALA 516 Ca -0.01 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 3k5m h ALA 516 Cb 0.51 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 3k5m h ALA 516 CO 0.01 -0.11 0.27 0.77 0.00 0.00 0.00 179.25 180.20 3k5m h SER 517 N 0.14 0.61 0.35 0.00 0.02 -1.17 -1.51 113.55 112.00 3k5m h SER 517 Ca 0.06 -0.04 -0.05 0.00 -0.84 0.00 0.00 61.79 60.92 3k5m h SER 517 Cb 0.25 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.63 3k5m h SER 517 CO -0.00 0.50 -0.24 0.28 -1.14 0.00 0.00 176.83 176.23 3k5m h SER 518 N 0.70 0.00 0.00 3.07 0.02 -1.28 0.08 113.55 116.14 3k5m h SER 518 Ca 0.18 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.11 3k5m h SER 518 Cb 0.02 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.56 3k5m h SER 518 CO -0.03 0.24 -0.15 0.40 -1.14 0.00 0.00 176.83 176.15 3k5m h ILE 519 N 0.00 1.09 -0.56 3.27 2.04 -1.20 -3.30 117.51 118.86 3k5m h ILE 519 Ca -0.00 -1.86 -0.11 0.00 1.00 0.00 0.00 64.86 63.88 3k5m h ILE 519 Cb 0.48 2.11 -0.02 0.00 -0.74 0.00 0.00 36.82 38.65 3k5m h ILE 519 CO 0.03 0.37 -0.08 0.71 0.00 0.00 0.00 178.15 179.18 3k5m h THR 520 N -1.00 1.27 -0.28 -0.27 1.35 -1.31 -2.12 112.91 110.54 3k5m h THR 520 Ca -0.03 -1.24 -0.09 0.00 -0.55 0.00 0.00 66.41 64.50 3k5m h THR 520 Cb 0.71 0.92 -0.01 0.00 -1.73 0.00 0.00 68.15 68.03 3k5m h THR 520 CO -0.02 0.44 -0.20 0.24 -0.25 0.00 0.00 175.52 175.73 3k5m h MET 521 N 0.93 0.52 -0.35 4.72 2.86 -1.19 -1.38 114.93 121.05 3k5m h MET 521 Ca 0.15 -0.18 -0.08 0.00 -2.06 0.00 0.00 59.70 57.53 3k5m h MET 521 Cb 0.65 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.25 3k5m h MET 521 CO 0.04 0.70 -0.12 -0.09 1.06 0.00 0.00 176.91 178.50 3k5m h ARG 522 N 0.47 0.61 -0.65 1.72 9.65 -1.60 -2.02 114.38 122.56 3k5m h ARG 522 Ca 0.08 -0.19 -0.02 0.00 -1.10 0.00 0.00 59.98 58.75 3k5m h ARG 522 Cb 0.61 -0.06 -0.03 0.00 -1.39 0.00 0.00 29.97 29.10 3k5m h ARG 522 CO 0.04 0.72 0.32 0.78 2.80 0.00 0.00 179.97 184.63 3k5m h GLY 523 N 0.96 0.97 0.99 2.80 0.00 -0.61 0.96 103.07 109.13 3k5m h GLY 523 Ca 0.10 -0.45 -0.03 0.00 0.00 0.00 0.00 47.33 46.95 3k5m h GLY 523 CO 0.03 0.43 0.23 0.45 0.00 0.00 0.00 176.54 177.68 3k5m h HIS 524 N 0.91 0.85 -0.44 5.60 3.86 -0.58 -1.10 115.15 124.25 3k5m h HIS 524 Ca 0.23 -0.06 -0.03 0.00 -1.16 0.00 0.00 60.37 59.34 3k5m h HIS 524 Cb 0.08 -0.25 -0.02 0.00 1.06 0.00 0.00 27.41 28.28 3k5m h HIS 524 CO 0.01 0.69 0.16 0.37 0.86 0.00 0.00 177.93 180.01 3k5m h GLN 525 N 0.76 0.68 -0.63 2.45 4.15 -0.90 -1.08 115.11 120.55 3k5m h GLN 525 Ca 0.19 -0.14 -0.03 0.00 0.77 0.00 0.00 58.65 59.44 3k5m h GLN 525 Cb 0.19 -0.10 -0.03 0.00 0.21 0.00 0.00 27.48 27.75 3k5m h GLN 525 CO -0.02 0.64 0.29 0.82 -1.93 0.00 0.00 178.83 178.64 3k5m h ILE 526 N 0.58 1.22 -0.48 2.39 2.04 -0.58 -1.19 117.51 121.48 3k5m h ILE 526 Ca 0.15 -0.64 -0.09 0.00 1.00 0.00 0.00 64.86 65.28 3k5m h ILE 526 Cb 0.23 0.48 -0.02 0.00 -0.74 0.00 0.00 36.82 36.78 3k5m h ILE 526 CO -0.01 0.26 -0.07 0.24 0.00 0.00 0.00 178.15 178.57 3k5m h MET 527 N 0.86 0.85 -0.17 2.37 2.86 -0.95 0.25 114.93 121.01 3k5m h MET 527 Ca 0.21 -0.27 -0.02 0.00 -2.06 0.00 0.00 59.70 57.56 3k5m h MET 527 Cb 0.14 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 31.71 3k5m h MET 527 CO -0.02 0.90 0.03 0.00 1.06 0.00 0.00 176.91 178.87 3k5m h ARG 528 N 0.78 0.27 -0.38 1.72 3.08 -0.90 -2.10 114.38 116.85 3k5m h ARG 528 Ca 0.14 -0.07 -0.06 0.00 0.07 0.00 0.00 59.98 60.06 3k5m h ARG 528 Cb 0.56 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.56 3k5m h ARG 528 CO 0.03 0.44 -0.00 0.37 -1.07 0.00 0.00 179.97 179.74 3k5m h GLN 529 N 0.07 0.60 -0.68 0.04 5.75 -1.09 -1.74 115.11 118.05 3k5m h GLN 529 Ca 0.05 -0.14 -0.04 0.00 -0.15 0.00 0.00 58.65 58.37 3k5m h GLN 529 Cb 0.29 -0.08 -0.03 0.00 1.07 0.00 0.00 27.48 28.73 3k5m h GLN 529 CO 0.00 0.62 0.26 1.15 -2.65 0.00 0.00 178.83 178.22 3k5m h THR 530 N 0.57 1.24 -0.65 2.39 2.02 -0.75 0.83 112.91 118.56 3k5m h THR 530 Ca 0.12 -0.78 -0.04 0.00 0.77 0.00 0.00 66.41 66.47 3k5m h THR 530 Cb 0.36 0.48 -0.03 0.00 -1.74 0.00 0.00 68.15 67.22 3k5m h THR 530 CO 0.01 0.31 0.24 0.50 0.37 0.00 0.00 175.52 176.95 3k5m h LYS 531 N 0.97 1.00 -0.51 6.66 3.64 -0.88 -2.13 116.57 125.32 3k5m h LYS 531 Ca 0.23 -0.20 -0.12 0.00 -1.27 0.00 0.00 60.65 59.29 3k5m h LYS 531 Cb 0.22 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 31.87 3k5m h LYS 531 CO -0.02 0.85 -0.15 0.00 -2.27 0.00 0.00 179.45 177.86 3k5m h ALA 532 N 1.10 0.76 -0.50 5.00 0.00 -0.93 -2.43 119.26 122.26 3k5m h ALA 532 Ca 0.21 -0.37 -0.07 0.00 0.00 0.00 0.00 54.91 54.69 3k5m h ALA 532 Cb 0.25 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 3k5m h ALA 532 CO -0.01 0.67 0.04 -0.07 0.00 0.00 0.00 179.25 179.87 3k5m h LEU 533 N 0.87 0.78 -0.18 0.00 3.38 -0.56 -2.21 115.31 117.39 3k5m h LEU 533 Ca 0.13 -0.18 -0.07 0.00 0.09 0.00 0.00 57.88 57.85 3k5m h LEU 533 Cb 0.72 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.26 3k5m h LEU 533 CO 0.06 0.83 -0.17 0.40 0.09 0.00 0.00 178.44 179.64 3k5m h ILE 534 N 0.77 1.33 -0.48 1.22 1.08 -1.30 -2.93 117.51 117.21 3k5m h ILE 534 Ca 0.16 -1.32 0.00 0.00 -0.39 0.00 0.00 64.86 63.31 3k5m h ILE 534 Cb 0.42 1.80 -0.02 0.00 -3.07 0.00 0.00 36.82 35.94 3k5m h ILE 534 CO 0.01 0.40 0.31 -0.33 -0.69 0.00 0.00 178.15 177.85 3k5m h GLU 535 N 0.08 0.64 0.00 2.37 5.08 -1.38 0.63 114.58 122.00 3k5m h GLU 535 Ca 0.03 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.33 3k5m h GLU 535 Cb 0.70 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.81 3k5m h GLU 535 CO 0.04 0.43 -0.09 0.00 -1.00 0.00 0.00 179.01 178.39 3k5m h ALA 536 N 1.68 1.10 -0.17 3.43 0.00 -1.33 -0.47 119.26 123.50 3k5m h ALA 536 Ca 0.17 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3k5m h ALA 536 Cb -0.05 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3k5m h ALA 536 CO -0.04 0.11 0.00 1.04 0.00 0.00 0.00 179.25 180.37 3k5m n GLN 537 N -3.34 1.74 -0.46 0.00 1.13 0.21 -4.92 117.38 111.74 3k5m n GLN 537 Ca -0.01 -1.11 0.00 0.00 -1.94 0.00 0.00 57.00 53.94 3k5m n GLN 537 Cb 0.28 -1.39 0.00 0.00 0.11 0.00 0.00 30.24 29.24 3k5m n GLN 537 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3k5m n GLY 538 N 1.13 0.74 3.52 1.08 0.00 -0.19 -5.09 105.19 106.39 3k5m n GLY 538 Ca 0.16 -0.25 -0.25 0.00 0.00 0.00 0.00 46.02 45.68 3k5m n GLY 538 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3k5m s TYR 539 N -2.00 2.37 -0.04 1.61 2.02 -1.17 -5.02 117.35 115.12 3k5m s TYR 539 Ca 0.00 -0.42 -0.16 0.00 -0.37 0.00 0.00 57.07 56.13 3k5m s TYR 539 Cb 0.00 -1.22 -0.05 0.00 -0.40 0.00 0.00 41.96 40.29 3k5m s TYR 539 CO 0.00 0.64 0.42 -0.51 -1.57 0.00 0.00 175.55 174.53 3k5m s ASP 540 N -3.57 6.74 -0.59 2.29 -0.00 -1.09 -3.76 116.67 116.69 3k5m s ASP 540 Ca 0.31 0.88 -0.12 0.00 -0.00 0.00 0.00 52.55 53.63 3k5m s ASP 540 Cb -0.01 -2.25 0.15 0.00 -0.00 0.00 0.00 42.92 40.80 3k5m s ASP 540 CO 0.16 0.22 0.50 -0.69 -0.00 0.00 0.00 175.17 175.35 3k5m s VAL 541 N -0.49 4.77 0.22 -1.27 1.01 -1.26 -0.89 120.40 122.50 3k5m s VAL 541 Ca 0.24 -1.97 0.11 0.00 0.00 0.00 0.00 61.98 60.35 3k5m s VAL 541 Cb -0.16 -4.06 -0.04 0.00 0.00 0.00 0.00 36.38 32.12 3k5m s VAL 541 CO 0.12 -0.87 1.56 0.16 0.00 0.00 0.00 175.10 176.06 3k5m h ILE 542 N 5.67 1.42 -2.46 2.22 3.07 -1.73 -3.48 117.51 122.23 3k5m h ILE 542 Ca -0.15 -2.30 -0.02 0.00 1.55 0.00 0.00 64.86 63.94 3k5m h ILE 542 Cb 1.06 2.26 -0.16 0.00 -0.27 0.00 0.00 36.82 39.72 3k5m h ILE 542 CO 0.88 0.65 0.25 -0.47 -1.05 0.00 0.00 178.15 178.40 3k5m s TYR 543 N -3.42 -0.56 -0.18 0.16 5.04 -1.24 -1.50 117.35 115.64 3k5m s TYR 543 Ca -0.01 0.65 -0.21 0.00 -2.44 0.00 0.00 57.07 55.07 3k5m s TYR 543 Cb 0.12 0.49 0.05 0.00 0.35 0.00 0.00 41.96 42.98 3k5m s TYR 543 CO 0.76 -0.70 0.57 0.20 -1.34 0.00 0.00 175.55 175.04 3k5m s GLY 544 N -2.02 -0.43 -0.22 8.97 0.00 -1.26 -0.15 107.32 112.22 3k5m s GLY 544 Ca -0.04 1.50 -0.03 0.00 0.00 0.00 0.00 44.72 46.15 3k5m s GLY 544 CO -0.03 1.26 0.29 -0.35 0.00 0.00 0.00 173.10 174.27 3k5m s ASP 545 N 0.04 0.89 0.00 1.64 2.15 -0.39 -3.11 116.67 117.89 3k5m s ASP 545 Ca -0.02 -0.02 0.00 0.00 0.43 0.00 0.00 52.55 52.94 3k5m s ASP 545 Cb -0.04 0.69 0.00 0.00 -0.30 0.00 0.00 42.92 43.27 3k5m s ASP 545 CO 0.02 -0.31 0.00 0.41 -0.17 0.00 0.00 175.17 175.12 3k5m n THR 546 N 5.34 0.00 -0.36 1.71 -1.04 0.34 -2.09 114.28 118.18 3k5m n THR 546 Ca -0.05 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.96 3k5m n THR 546 Cb 0.50 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.01 3k5m n THR 546 CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 3k5m n ASP 547 N 0.49 0.82 -4.21 8.00 5.75 -1.26 -4.53 116.55 121.60 3k5m n ASP 547 Ca 0.00 -1.18 -0.28 0.00 -0.01 0.00 0.00 54.79 53.32 3k5m n ASP 547 Cb 0.00 0.00 -0.16 0.00 -1.03 0.00 0.00 41.12 39.93 3k5m n ASP 547 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 3k5m s SER 548 N -0.18 2.55 -0.09 -1.12 1.04 -0.89 -0.78 113.70 114.23 3k5m s SER 548 Ca 0.00 -0.41 0.02 0.00 0.48 0.00 0.00 55.95 56.04 3k5m s SER 548 Cb 0.00 -0.50 -0.02 0.00 0.10 0.00 0.00 66.02 65.60 3k5m s SER 548 CO 0.00 0.23 -0.13 -0.89 0.98 0.00 0.00 173.24 173.43 3k5m s THR 549 N -0.27 3.08 -0.27 2.02 2.01 0.74 -1.27 115.64 121.68 3k5m s THR 549 Ca 0.02 -0.68 -0.07 0.00 0.31 0.00 0.00 61.69 61.27 3k5m s THR 549 Cb -0.10 -2.25 -0.00 0.00 0.01 0.00 0.00 72.50 70.15 3k5m s THR 549 CO 0.01 0.56 0.06 -0.36 -0.69 0.00 0.00 174.62 174.20 3k5m s PHE 550 N -0.20 3.10 -0.26 4.92 0.08 0.78 -1.16 117.98 125.25 3k5m s PHE 550 Ca 0.00 -0.82 -0.05 0.00 0.12 0.00 0.00 56.93 56.19 3k5m s PHE 550 Cb -0.13 -2.23 0.01 0.00 -0.57 0.00 0.00 43.02 40.09 3k5m s PHE 550 CO 0.03 -0.51 0.02 0.08 -0.10 0.00 0.00 175.22 174.74 3k5m s VAL 551 N 1.53 3.59 -0.17 -0.44 1.01 0.17 -1.76 120.40 124.33 3k5m s VAL 551 Ca 0.04 -0.68 -0.21 0.00 0.00 0.00 0.00 61.98 61.13 3k5m s VAL 551 Cb -0.16 -2.79 -0.03 0.00 0.00 0.00 0.00 36.38 33.40 3k5m s VAL 551 CO 0.02 0.21 0.61 0.86 0.00 0.00 0.00 175.10 176.79 3k5m s TRP 552 N 1.46 3.42 -2.04 5.22 -0.00 -0.07 0.13 118.94 127.06 3k5m s TRP 552 Ca 0.03 0.95 0.31 0.00 -0.00 0.00 0.00 56.10 57.39 3k5m s TRP 552 Cb -0.16 -2.75 1.79 0.00 -0.00 0.00 0.00 33.47 32.34 3k5m s TRP 552 CO -0.00 -0.09 2.16 1.28 -0.00 0.00 0.00 176.95 180.30 3k5m n LEU 553 N 4.67 0.19 0.00 5.86 4.77 -0.78 -2.69 117.00 129.03 3k5m n LEU 553 Ca -0.02 -0.05 0.00 0.00 -0.03 0.00 0.00 56.01 55.90 3k5m n LEU 553 Cb 0.50 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.58 3k5m n LEU 553 CO 0.44 0.03 0.00 0.29 -1.33 0.00 0.00 177.39 176.82 3k5m n LYS 554 N -0.86 -1.06 -3.62 3.23 5.02 -1.26 -4.90 118.16 114.71 3k5m n LYS 554 Ca 0.23 0.26 -0.02 0.00 -2.02 0.00 0.00 58.31 56.76 3k5m n LYS 554 Cb 0.15 -4.13 -0.01 0.00 -0.02 0.00 0.00 35.03 31.01 3k5m n LYS 554 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 3k5m s GLY 555 N -2.00 -0.35 0.32 0.72 0.00 -1.26 -5.08 107.32 99.67 3k5m s GLY 555 Ca 0.00 0.89 -0.29 0.00 0.00 0.00 0.00 44.72 45.32 3k5m s GLY 555 CO 0.00 0.24 1.30 0.00 0.00 0.00 0.00 173.10 174.64 3k5m s ALA 556 N -2.65 3.50 0.04 3.20 0.00 -1.26 -4.39 121.76 120.20 3k5m s ALA 556 Ca 0.11 1.23 0.05 0.00 0.00 0.00 0.00 51.96 53.36 3k5m s ALA 556 Cb 0.01 -3.47 -0.02 0.00 0.00 0.00 0.00 23.12 19.64 3k5m s ALA 556 CO -0.04 -0.61 -0.14 -1.01 0.00 0.00 0.00 175.76 173.97 3k5m s HIS 557 N -1.06 1.21 0.91 0.00 3.76 -1.26 -5.01 115.29 113.84 3k5m s HIS 557 Ca 0.49 -0.37 -0.11 0.00 -0.15 0.00 0.00 55.06 54.92 3k5m s HIS 557 Cb -0.39 -0.71 0.14 0.00 1.11 0.00 0.00 32.58 32.72 3k5m s HIS 557 CO 0.51 0.04 1.09 -1.54 -0.85 0.00 0.00 174.74 173.99 3k5m s SER 558 N -1.24 3.32 0.16 1.40 1.04 -1.26 -4.73 113.70 112.40 3k5m s SER 558 Ca 0.01 1.55 -0.15 0.00 0.48 0.00 0.00 55.95 57.84 3k5m s SER 558 Cb -0.08 -2.22 0.04 0.00 0.10 0.00 0.00 66.02 63.86 3k5m s SER 558 CO 0.01 -2.74 1.80 -0.33 0.98 0.00 0.00 173.24 172.97 3k5m h GLU 559 N -1.62 0.64 -0.38 4.02 4.39 -1.98 0.19 114.58 119.84 3k5m h GLU 559 Ca -0.50 -0.05 -0.03 0.00 0.34 0.00 0.00 59.36 59.12 3k5m h GLU 559 Cb 1.28 -0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 29.78 3k5m h GLU 559 CO 0.53 0.46 0.13 1.49 -1.16 0.00 0.00 179.01 180.46 3k5m h GLU 560 N 0.64 0.59 -0.58 2.33 4.81 -1.99 0.18 114.58 120.56 3k5m h GLU 560 Ca 0.17 -0.12 -0.03 0.00 -0.13 0.00 0.00 59.36 59.26 3k5m h GLU 560 Cb -0.03 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.24 3k5m h GLU 560 CO -0.03 0.58 0.26 0.93 -0.73 0.00 0.00 179.01 180.02 3k5m h GLU 561 N 0.47 0.85 -0.35 1.92 5.08 -1.84 -1.90 114.58 118.83 3k5m h GLU 561 Ca 0.13 -0.14 -0.04 0.00 -1.00 0.00 0.00 59.36 58.31 3k5m h GLU 561 Cb 0.23 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 3k5m h GLU 561 CO -0.01 0.71 0.07 0.00 -1.00 0.00 0.00 179.01 178.79 3k5m h ALA 562 N 1.10 0.46 -0.97 3.43 0.00 -0.40 -2.24 119.26 120.64 3k5m h ALA 562 Ca 0.20 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 54.93 3k5m h ALA 562 Cb 0.16 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 17.77 3k5m h ALA 562 CO -0.02 0.14 0.64 0.00 0.00 0.00 0.00 179.25 180.01 3k5m h ALA 563 N 0.91 1.33 -0.29 0.00 0.00 -0.83 -1.46 119.26 118.93 3k5m h ALA 563 Ca 0.11 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 3k5m h ALA 563 Cb 0.32 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3k5m h ALA 563 CO 0.00 0.61 0.03 -0.22 0.00 0.00 0.00 179.25 179.67 3k5m h LYS 564 N 1.28 0.50 -0.50 0.00 3.64 -1.19 -1.96 116.57 118.34 3k5m h LYS 564 Ca 0.36 -0.15 -0.04 0.00 -1.27 0.00 0.00 60.65 59.55 3k5m h LYS 564 Cb -0.11 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 31.63 3k5m h LYS 564 CO -0.09 0.63 0.14 0.82 -2.27 0.00 0.00 179.45 178.68 3k5m h ILE 565 N 0.31 1.21 -0.53 2.00 2.04 -0.94 -1.55 117.51 120.04 3k5m h ILE 565 Ca 0.09 -0.72 -0.10 0.00 1.00 0.00 0.00 64.86 65.13 3k5m h ILE 565 Cb 0.38 0.67 -0.02 0.00 -0.74 0.00 0.00 36.82 37.12 3k5m h ILE 565 CO 0.01 0.27 -0.06 1.23 0.00 0.00 0.00 178.15 179.60 3k5m h GLY 566 N 0.91 1.03 1.17 5.37 0.00 -1.12 0.45 103.07 110.88 3k5m h GLY 566 Ca 0.17 -0.78 -0.16 0.00 0.00 0.00 0.00 47.33 46.55 3k5m h GLY 566 CO -0.01 0.72 -0.42 3.21 0.00 0.00 0.00 176.54 180.04 3k5m h ARG 567 N 0.87 0.90 -0.30 4.80 3.08 -1.04 -2.15 114.38 120.54 3k5m h ARG 567 Ca 0.15 -0.49 -0.06 0.00 0.07 0.00 0.00 59.98 59.65 3k5m h ARG 567 Cb 0.59 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.66 3k5m h ARG 567 CO 0.04 1.14 -0.04 0.00 -1.07 0.00 0.00 179.97 180.04 3k5m h ALA 568 N 0.79 0.41 -0.58 0.04 0.00 -1.05 0.17 119.26 119.03 3k5m h ALA 568 Ca 0.05 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 3k5m h ALA 568 Cb 1.01 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.66 3k5m h ALA 568 CO 0.10 0.19 0.36 -0.07 0.00 0.00 0.00 179.25 179.83 3k5m h LEU 569 N 0.33 0.69 -0.68 0.00 3.38 -0.93 -0.83 115.31 117.27 3k5m h LEU 569 Ca 0.08 -0.05 -0.14 0.00 0.09 0.00 0.00 57.88 57.86 3k5m h LEU 569 Cb 0.50 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 3k5m h LEU 569 CO 0.02 0.54 -0.50 -0.37 0.09 0.00 0.00 178.44 178.22 3k5m h VAL 570 N 0.79 1.33 -0.44 1.22 -1.51 -1.21 -0.83 116.25 115.60 3k5m h VAL 570 Ca 0.21 -1.73 -0.13 0.00 -1.23 0.00 0.00 66.70 63.82 3k5m h VAL 570 Cb -0.04 1.76 -0.01 0.00 -2.13 0.00 0.00 31.29 30.87 3k5m h VAL 570 CO -0.04 0.53 -0.22 -0.61 -1.23 0.00 0.00 177.57 176.00 3k5m h GLN 571 N 0.32 0.90 -0.30 5.19 -0.00 -0.72 -2.26 115.11 118.25 3k5m h GLN 571 Ca 0.01 -0.38 -0.01 0.00 -0.00 0.00 0.00 58.65 58.27 3k5m h GLN 571 Cb 0.99 -0.03 -0.01 0.00 0.00 0.00 0.00 27.48 28.43 3k5m h GLN 571 CO 0.09 1.03 0.14 1.25 0.00 0.00 0.00 178.83 181.33 3k5m h HIS 572 N 0.78 0.44 -0.05 3.99 2.76 -0.92 -0.75 115.15 121.40 3k5m h HIS 572 Ca 0.10 -0.03 -0.00 0.00 -2.20 0.00 0.00 60.37 58.25 3k5m h HIS 572 Cb 0.77 -0.14 -0.00 0.00 1.55 0.00 0.00 27.41 29.59 3k5m h HIS 572 CO 0.05 0.41 0.03 0.28 -1.30 0.00 0.00 177.93 177.39 3k5m h VAL 573 N 0.35 1.06 -0.75 5.26 2.07 -1.07 -0.61 116.25 122.56 3k5m h VAL 573 Ca 0.10 -0.18 0.02 0.00 0.82 0.00 0.00 66.70 67.46 3k5m h VAL 573 Cb 0.14 1.10 -0.04 0.00 -1.52 0.00 0.00 31.29 30.97 3k5m h VAL 573 CO -0.01 0.05 0.50 0.78 0.02 0.00 0.00 177.57 178.91 3k5m h ASN 574 N 0.00 0.82 -0.36 0.57 2.35 -1.28 -1.13 115.58 116.56 3k5m h ASN 574 Ca 0.02 -0.02 -0.10 0.00 -0.55 0.00 0.00 56.30 55.65 3k5m h ASN 574 Cb 0.06 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.23 3k5m h ASN 574 CO -0.00 0.58 -0.17 0.00 -1.65 0.00 0.00 177.43 176.19 3k5m h ALA 575 N 1.55 0.50 -0.92 -0.83 0.00 -0.84 -2.26 119.26 116.45 3k5m h ALA 575 Ca 0.29 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 3k5m h ALA 575 Cb -0.03 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.60 3k5m h ALA 575 CO -0.07 0.43 0.52 2.35 0.00 0.00 0.00 179.25 182.48 3k5m h TRP 576 N 0.53 1.25 -0.31 0.00 7.01 0.04 0.17 115.95 124.65 3k5m h TRP 576 Ca 0.08 -0.02 -0.03 0.00 2.11 0.00 0.00 58.89 61.03 3k5m h TRP 576 Cb 0.71 -0.40 -0.01 0.00 -2.10 0.00 0.00 29.16 27.35 3k5m h TRP 576 CO 0.06 0.85 0.08 -1.49 -2.79 0.00 0.00 178.44 175.14 3k5m h TRP 577 N 1.28 0.52 -0.30 2.65 4.06 -1.22 0.38 115.95 123.33 3k5m h TRP 577 Ca 0.33 -0.06 0.00 0.00 2.06 0.00 0.00 58.89 61.22 3k5m h TRP 577 Cb -0.00 -0.15 -0.02 0.00 -1.00 0.00 0.00 29.16 27.99 3k5m h TRP 577 CO 0.01 0.55 0.20 0.00 -3.56 0.00 0.00 178.44 175.64 3k5m h ALA 578 N 0.91 0.38 0.07 1.49 0.00 -0.79 0.36 119.26 121.69 3k5m h ALA 578 Ca 0.10 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 3k5m h ALA 578 Cb 0.29 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3k5m h ALA 578 CO 0.00 -0.16 -0.03 0.93 0.00 0.00 0.00 179.25 179.99 3k5m h GLU 579 N 0.40 -0.09 -0.21 0.00 5.08 -0.86 -1.95 114.58 116.95 3k5m h GLU 579 Ca 0.11 0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.50 3k5m h GLU 579 Cb -0.04 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.21 3k5m h GLU 579 CO -0.03 0.18 0.06 1.15 -1.00 0.00 0.00 179.01 179.37 3k5m h THR 580 N -0.36 0.93 0.00 1.13 2.02 0.14 -2.83 112.91 113.94 3k5m h THR 580 Ca -0.01 -0.05 -0.08 0.00 0.77 0.00 0.00 66.41 67.04 3k5m h THR 580 Cb 0.31 0.76 -0.01 0.00 -1.74 0.00 0.00 68.15 67.47 3k5m h THR 580 CO 0.02 0.03 -0.37 -0.07 0.37 0.00 0.00 175.52 175.50 3k5m h LEU 581 N 0.16 0.00 -1.64 2.58 4.07 -0.31 -2.81 115.31 117.36 3k5m h LEU 581 Ca 0.09 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 58.04 3k5m h LEU 581 Cb 0.07 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.80 3k5m h LEU 581 CO -0.10 0.37 0.04 -0.61 -1.08 0.00 0.00 178.44 177.05 3k5m h GLN 582 N 0.00 0.27 -0.07 1.13 4.15 -1.09 -0.16 115.11 119.33 3k5m h GLN 582 Ca -0.00 -0.03 0.02 0.00 0.77 0.00 0.00 58.65 59.41 3k5m h GLN 582 Cb 0.69 -0.05 -0.00 0.00 0.21 0.00 0.00 27.48 28.33 3k5m h GLN 582 CO 0.05 0.26 0.07 0.87 -1.93 0.00 0.00 178.83 178.14 3k5m h LYS 583 N 0.27 0.00 -0.58 1.69 1.57 -1.47 0.31 116.57 118.36 3k5m h LYS 583 Ca 0.07 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 3k5m h LYS 583 Cb 0.12 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.43 3k5m h LYS 583 CO -0.00 0.00 0.00 1.04 -0.57 0.00 0.00 179.45 179.92 3k5m n GLN 584 N -4.09 2.47 -2.38 3.15 6.02 -0.15 -4.92 117.38 117.48 3k5m n GLN 584 Ca -0.01 -2.07 -0.18 0.00 -0.01 0.00 0.00 57.00 54.73 3k5m n GLN 584 Cb 0.17 -1.50 -0.01 0.00 1.02 0.00 0.00 30.24 29.92 3k5m n GLN 584 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 177.06 173.92 3k5m n ARG 585 N 1.09 -1.61 -4.33 -1.09 0.63 0.11 -4.99 116.66 106.47 3k5m n ARG 585 Ca 0.19 0.84 -0.26 0.00 -0.92 0.00 0.00 57.85 57.70 3k5m n ARG 585 Cb 0.52 -5.33 -0.10 0.00 0.45 0.00 0.00 32.46 28.01 3k5m n ARG 585 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 3k5m s LEU 586 N -5.09 2.85 -0.24 6.15 1.43 -0.73 -4.99 118.68 118.06 3k5m s LEU 586 Ca 0.02 -0.66 -0.03 0.00 -1.03 0.00 0.00 54.13 52.43 3k5m s LEU 586 Cb -0.01 -1.53 0.01 0.00 0.03 0.00 0.00 46.19 44.69 3k5m s LEU 586 CO 0.02 0.10 -0.05 -0.89 0.23 0.00 0.00 176.35 175.77 3k5m s THR 587 N -1.77 3.16 0.13 5.49 2.01 -1.26 -3.07 115.64 120.33 3k5m s THR 587 Ca 0.25 -0.74 -0.30 0.00 0.31 0.00 0.00 61.69 61.20 3k5m s THR 587 Cb -0.08 -2.51 -0.07 0.00 0.01 0.00 0.00 72.50 69.85 3k5m s THR 587 CO 0.14 0.31 1.16 -0.55 -0.69 0.00 0.00 174.62 175.00 3k5m s SER 588 N 1.41 7.14 0.00 3.53 0.15 -1.26 -4.45 113.70 120.22 3k5m s SER 588 Ca 0.03 2.09 0.09 0.00 0.70 0.00 0.00 55.95 58.86 3k5m s SER 588 Cb -0.15 -2.59 0.25 0.00 -1.71 0.00 0.00 66.02 61.81 3k5m s SER 588 CO -0.04 -0.36 1.20 0.00 1.20 0.00 0.00 173.24 175.24 3k5m n ALA 589 N 3.09 2.16 -1.89 5.45 0.00 -1.26 -4.98 120.51 123.08 3k5m n ALA 589 Ca 0.06 -1.10 -0.42 0.00 0.00 0.00 0.00 53.44 51.98 3k5m n ALA 589 Cb 0.46 -0.36 -0.03 0.00 0.00 0.00 0.00 19.45 19.52 3k5m n ALA 589 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3k5m s LEU 590 N -0.99 4.37 -0.36 0.00 1.43 -1.26 -4.83 118.68 117.03 3k5m s LEU 590 Ca 0.19 2.68 0.01 0.00 -1.03 0.00 0.00 54.13 55.97 3k5m s LEU 590 Cb 0.10 -3.60 0.15 0.00 0.03 0.00 0.00 46.19 42.86 3k5m s LEU 590 CO 0.13 -0.82 0.24 -0.70 0.23 0.00 0.00 176.35 175.43 3k5m s GLU 591 N 0.70 0.61 0.11 1.70 2.12 -1.26 -4.91 118.70 117.77 3k5m s GLU 591 Ca 0.68 -1.48 -0.31 0.00 0.36 0.00 0.00 54.97 54.22 3k5m s GLU 591 Cb -0.44 -1.31 -0.07 0.00 0.26 0.00 0.00 34.13 32.57 3k5m s GLU 591 CO 0.35 -1.25 1.29 -1.17 -0.54 0.00 0.00 175.26 173.95 3k5m s LEU 592 N 0.87 4.38 0.04 2.70 2.96 -1.26 -0.11 118.68 128.27 3k5m s LEU 592 Ca 0.21 2.21 0.07 0.00 -0.22 0.00 0.00 54.13 56.40 3k5m s LEU 592 Cb -0.17 -3.59 -0.03 0.00 0.50 0.00 0.00 46.19 42.90 3k5m s LEU 592 CO -0.03 -0.55 -0.18 -1.61 -1.32 0.00 0.00 176.35 172.66 3k5m s GLU 593 N 0.84 2.06 -0.48 1.98 2.02 0.79 -4.89 118.70 121.02 3k5m s GLU 593 Ca 0.61 -0.99 -0.19 0.00 0.02 0.00 0.00 54.97 54.41 3k5m s GLU 593 Cb -0.34 -2.18 0.04 0.00 0.10 0.00 0.00 34.13 31.75 3k5m s GLU 593 CO 0.31 0.54 0.62 -0.47 0.02 0.00 0.00 175.26 176.28 3k5m s TYR 594 N -0.94 3.06 -0.14 1.61 5.04 -1.26 -0.79 117.35 123.93 3k5m s TYR 594 Ca 0.15 -0.38 -0.10 0.00 -2.44 0.00 0.00 57.07 54.29 3k5m s TYR 594 Cb -0.10 -3.43 -0.05 0.00 0.35 0.00 0.00 41.96 38.72 3k5m s TYR 594 CO 0.05 -0.97 -0.07 0.93 -1.34 0.00 0.00 175.55 174.16 3k5m h GLU 595 N 8.95 0.00 -4.54 4.97 5.08 -1.81 -3.50 114.58 123.72 3k5m h GLU 595 Ca -0.27 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 57.80 3k5m h GLU 595 Cb 1.10 0.00 -0.23 0.00 0.50 0.00 0.00 28.75 30.11 3k5m h GLU 595 CO 0.93 0.16 -0.74 0.99 -1.00 0.00 0.00 179.01 179.35 3k5m s THR 596 N -2.14 0.54 -0.25 1.13 2.01 -1.22 -5.02 115.64 110.69 3k5m s THR 596 Ca -0.14 -0.86 0.02 0.00 0.31 0.00 0.00 61.69 61.01 3k5m s THR 596 Cb 0.02 -0.57 0.05 0.00 0.01 0.00 0.00 72.50 72.02 3k5m s THR 596 CO 0.25 -0.24 -0.10 -2.28 -0.69 0.00 0.00 174.62 171.56 3k5m s HIS 597 N -1.03 3.18 -0.45 4.92 5.65 -1.26 -1.56 115.29 124.73 3k5m s HIS 597 Ca -0.06 -2.11 -0.19 0.00 0.25 0.00 0.00 55.06 52.95 3k5m s HIS 597 Cb -0.08 -1.96 0.03 0.00 -1.18 0.00 0.00 32.58 29.39 3k5m s HIS 597 CO 0.00 -0.85 0.58 -0.06 -0.65 0.00 0.00 174.74 173.77 3k5m s PHE 598 N 1.17 3.09 0.29 3.88 0.08 0.87 -4.67 117.98 122.69 3k5m s PHE 598 Ca -0.06 -0.27 -0.02 0.00 0.12 0.00 0.00 56.93 56.71 3k5m s PHE 598 Cb -0.19 -3.27 0.43 0.00 -0.57 0.00 0.00 43.02 39.42 3k5m s PHE 598 CO -0.06 -0.87 1.93 0.00 -0.10 0.00 0.00 175.22 176.12 3k5m s ARG 600 N -5.72 1.64 -0.02 0.00 1.81 -1.22 0.61 118.95 116.04 3k5m s ARG 600 Ca -0.11 -0.42 0.01 0.00 -1.72 0.00 0.00 55.73 53.48 3k5m s ARG 600 Cb 0.17 -1.37 0.02 0.00 -0.45 0.00 0.00 34.95 33.32 3k5m s ARG 600 CO 0.80 0.06 -0.02 0.12 -0.68 0.00 0.00 175.30 175.58 3k5m s PHE 601 N 0.55 0.39 -0.26 -0.53 5.36 -0.43 -0.84 117.98 122.22 3k5m s PHE 601 Ca -0.12 -0.05 -0.04 0.00 -0.96 0.00 0.00 56.93 55.76 3k5m s PHE 601 Cb -0.15 -0.39 0.02 0.00 -0.34 0.00 0.00 43.02 42.16 3k5m s PHE 601 CO 0.03 -0.10 -0.01 -1.17 -1.46 0.00 0.00 175.22 172.52 3k5m s LEU 602 N 0.64 3.38 -0.42 6.12 2.96 0.11 -0.75 118.68 130.72 3k5m s LEU 602 Ca -0.07 -0.75 -0.06 0.00 -0.22 0.00 0.00 54.13 53.03 3k5m s LEU 602 Cb -0.10 -1.75 0.10 0.00 0.50 0.00 0.00 46.19 44.94 3k5m s LEU 602 CO -0.01 -0.14 0.23 -0.32 -1.32 0.00 0.00 176.35 174.80 3k5m s MET 603 N 1.41 2.34 0.69 1.98 -2.45 -0.25 -2.39 119.30 120.62 3k5m s MET 603 Ca 0.02 -1.64 -0.11 0.00 -1.25 0.00 0.00 55.69 52.70 3k5m s MET 603 Cb -0.16 -3.69 0.01 0.00 1.25 0.00 0.00 34.83 32.24 3k5m s MET 603 CO -0.02 -1.02 1.06 -1.25 1.05 0.00 0.00 175.02 174.84 3k5m s PRO 604 N 1.29 2.91 0.39 4.11 0.04 -1.26 0.77 135.00 143.24 3k5m s PRO 604 Ca 0.05 0.98 0.01 0.00 0.04 0.00 0.00 61.00 62.08 3k5m s PRO 604 Cb -0.23 -1.99 -0.02 0.00 0.04 0.00 0.00 34.50 32.30 3k5m s PRO 604 CO -0.01 -1.12 0.59 0.95 0.04 0.00 0.00 177.00 177.45 3k5m s THR 605 N -3.00 4.64 0.41 1.26 -4.23 -1.26 0.03 115.64 113.50 3k5m s THR 605 Ca 0.59 -0.49 -0.26 0.00 -1.18 0.00 0.00 61.69 60.35 3k5m s THR 605 Cb -0.14 -3.70 -0.08 0.00 1.34 0.00 0.00 72.50 69.91 3k5m s THR 605 CO 0.54 -0.46 1.29 -0.63 -0.54 0.00 0.00 174.62 174.82 3k5m s ILE 606 N -2.41 2.66 0.42 2.99 -1.09 0.31 -4.62 121.20 119.47 3k5m s ILE 606 Ca 0.43 0.58 -0.26 0.00 -2.23 0.00 0.00 60.65 59.18 3k5m s ILE 606 Cb -0.10 -3.34 -0.10 0.00 -1.58 0.00 0.00 42.46 37.35 3k5m s ILE 606 CO 0.37 0.08 1.28 -1.14 -1.23 0.00 0.00 174.94 174.29 3k5m n ARG 607 N 0.05 1.96 -2.28 2.79 0.63 -1.26 -1.81 116.66 116.74 3k5m n ARG 607 Ca 0.04 0.70 -0.20 0.00 -0.92 0.00 0.00 57.85 57.47 3k5m n ARG 607 Cb 0.44 -2.39 -0.02 0.00 0.45 0.00 0.00 32.46 30.94 3k5m n ARG 607 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3k5m n GLY 608 N 0.79 -0.15 3.75 5.14 0.00 -1.26 -4.95 105.19 108.52 3k5m n GLY 608 Ca 0.06 -0.03 -0.09 0.00 0.00 0.00 0.00 46.02 45.97 3k5m n GLY 608 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k5m s ALA 609 N -2.98 -0.67 -0.22 4.61 0.00 -0.75 -5.04 121.76 116.70 3k5m s ALA 609 Ca 0.00 -0.69 0.22 0.00 0.00 0.00 0.00 51.96 51.49 3k5m s ALA 609 Cb 0.00 0.86 -0.20 0.00 0.00 0.00 0.00 23.12 23.78 3k5m s ALA 609 CO 0.00 -0.96 0.71 -0.25 0.00 0.00 0.00 175.76 175.26 3k5m n ASP 610 N -0.88 0.35 -4.74 0.00 8.00 -1.26 -4.41 116.55 113.60 3k5m n ASP 610 Ca -0.05 -0.02 -0.42 0.00 0.71 0.00 0.00 54.79 55.02 3k5m n ASP 610 Cb 0.60 1.41 -0.02 0.00 -0.02 0.00 0.00 41.12 43.10 3k5m n ASP 610 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 3k5m n THR 611 N -2.26 0.87 -2.16 -3.53 -1.04 -1.26 -4.82 114.28 100.08 3k5m n THR 611 Ca -0.02 -0.22 -0.39 0.00 -2.04 0.00 0.00 64.05 61.39 3k5m n THR 611 Cb 0.53 -1.99 -0.01 0.00 -1.82 0.00 0.00 70.33 67.04 3k5m n THR 611 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 3k5m s GLY 612 N 0.61 2.90 0.43 3.41 0.00 -1.26 -0.53 107.32 112.88 3k5m s GLY 612 Ca 0.65 1.11 -0.16 0.00 0.00 0.00 0.00 44.72 46.33 3k5m s GLY 612 CO 0.46 1.66 0.88 -0.56 0.00 0.00 0.00 173.10 175.54 3k5m s SER 613 N -0.92 6.72 -0.06 1.64 0.01 0.11 -4.61 113.70 116.58 3k5m s SER 613 Ca 0.57 1.45 0.02 0.00 1.31 0.00 0.00 55.95 59.31 3k5m s SER 613 Cb -0.35 -2.45 -0.03 0.00 0.21 0.00 0.00 66.02 63.40 3k5m s SER 613 CO 0.44 -0.40 -0.11 -0.54 0.41 0.00 0.00 173.24 173.04 3k5m s LYS 614 N -3.55 2.62 -1.80 12.44 1.02 -1.26 -4.56 119.74 124.65 3k5m s LYS 614 Ca 0.57 -0.62 0.00 0.00 0.02 0.00 0.00 55.97 55.94 3k5m s LYS 614 Cb -0.10 -2.48 0.00 0.00 -0.52 0.00 0.00 37.83 34.73 3k5m s LYS 614 CO 0.23 0.64 0.00 1.63 -0.92 0.00 0.00 175.35 176.94 3k5m n LYS 615 N 2.25 -1.34 -3.70 1.68 5.02 -1.26 -4.98 118.16 115.84 3k5m n LYS 615 Ca -0.18 1.05 -0.21 0.00 -2.02 0.00 0.00 58.31 56.95 3k5m n LYS 615 Cb 0.53 -5.41 -0.18 0.00 -0.02 0.00 0.00 35.03 29.95 3k5m n LYS 615 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3k5m s ARG 616 N -4.06 0.08 0.14 1.97 1.81 -1.25 -4.04 118.95 113.61 3k5m s ARG 616 Ca 0.00 0.31 -0.25 0.00 -1.72 0.00 0.00 55.73 54.07 3k5m s ARG 616 Cb 0.00 -0.61 0.06 0.00 -0.45 0.00 0.00 34.95 33.95 3k5m s ARG 616 CO 0.00 -0.32 0.89 1.52 -0.68 0.00 0.00 175.30 176.71 3k5m s TYR 617 N 2.11 -0.20 0.05 -0.53 -0.85 -0.77 -4.43 117.35 112.72 3k5m s TYR 617 Ca 0.05 -0.09 -0.06 0.00 -0.52 0.00 0.00 57.07 56.45 3k5m s TYR 617 Cb -0.12 0.63 -0.01 0.00 0.38 0.00 0.00 41.96 42.83 3k5m s TYR 617 CO -0.03 -0.83 0.11 0.00 -1.52 0.00 0.00 175.55 173.27 3k5m s ALA 618 N -3.37 -0.06 0.15 9.51 0.00 -1.01 -1.10 121.76 125.88 3k5m s ALA 618 Ca 0.10 -0.60 -0.24 0.00 0.00 0.00 0.00 51.96 51.21 3k5m s ALA 618 Cb -0.02 0.29 0.07 0.00 0.00 0.00 0.00 23.12 23.46 3k5m s ALA 618 CO -0.00 -0.36 0.76 0.20 0.00 0.00 0.00 175.76 176.36 3k5m s GLY 619 N -2.31 -0.40 -0.09 0.00 0.00 -0.63 0.04 107.32 103.92 3k5m s GLY 619 Ca -0.02 0.38 0.04 0.00 0.00 0.00 0.00 44.72 45.11 3k5m s GLY 619 CO -0.06 0.12 -0.21 -2.27 0.00 0.00 0.00 173.10 170.68 3k5m s LEU 620 N -2.76 2.29 -0.10 0.66 2.96 -0.02 -0.82 118.68 120.88 3k5m s LEU 620 Ca 0.06 -0.45 0.04 0.00 -0.22 0.00 0.00 54.13 53.55 3k5m s LEU 620 Cb -0.02 -1.46 0.00 0.00 0.50 0.00 0.00 46.19 45.21 3k5m s LEU 620 CO -0.05 0.21 -0.23 -0.63 -1.32 0.00 0.00 176.35 174.33 3k5m s ILE 621 N 0.05 2.02 -0.25 6.68 1.01 0.26 -1.84 121.20 129.14 3k5m s ILE 621 Ca -0.08 -0.99 -0.11 0.00 0.00 0.00 0.00 60.65 59.46 3k5m s ILE 621 Cb -0.15 -1.76 -0.05 0.00 0.01 0.00 0.00 42.46 40.51 3k5m s ILE 621 CO 0.05 0.55 0.17 -1.58 0.00 0.00 0.00 174.94 174.13 3k5m s GLN 622 N 0.40 4.05 -0.54 2.79 2.00 -1.26 -0.56 119.66 126.54 3k5m s GLN 622 Ca -0.18 -0.28 0.06 0.00 -2.00 0.00 0.00 55.36 52.97 3k5m s GLN 622 Cb -0.18 -3.56 0.21 0.00 0.80 0.00 0.00 33.01 30.28 3k5m s GLN 622 CO 0.08 0.01 0.54 0.39 -0.50 0.00 0.00 175.29 175.81 3k5m n GLU 623 N 4.44 1.36 0.00 1.67 1.02 -0.56 -5.01 120.64 123.56 3k5m n GLU 623 Ca -0.15 -3.91 0.00 0.00 -0.02 0.00 0.00 57.16 53.08 3k5m n GLU 623 Cb 0.52 -1.85 0.00 0.00 -0.02 0.00 0.00 31.44 30.09 3k5m n GLU 623 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3k5m n GLY 624 N 1.70 0.96 1.69 0.62 0.00 -1.26 -3.73 105.19 105.16 3k5m n GLY 624 Ca 0.25 -1.26 -0.03 0.00 0.00 0.00 0.00 46.02 44.98 3k5m n GLY 624 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3k5m n ASP 625 N 0.73 4.37 -4.33 1.61 9.92 -1.26 -4.92 116.55 122.68 3k5m n ASP 625 Ca 0.00 -3.26 -0.18 0.00 -0.53 0.00 0.00 54.79 50.82 3k5m n ASP 625 Cb 0.00 -0.70 -0.10 0.00 -0.64 0.00 0.00 41.12 39.68 3k5m n ASP 625 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 3k5m s LYS 626 N -3.00 1.29 -0.00 -1.24 -0.14 -1.24 -5.16 119.74 110.24 3k5m s LYS 626 Ca 0.52 -1.59 0.02 0.00 -1.36 0.00 0.00 55.97 53.56 3k5m s LYS 626 Cb 0.42 -0.94 -0.01 0.00 -1.68 0.00 0.00 37.83 35.62 3k5m s LYS 626 CO 0.11 0.11 -0.05 -0.65 -0.76 0.00 0.00 175.35 174.11 3k5m s GLN 627 N -3.70 0.43 -0.01 1.68 -0.21 -1.26 -1.50 119.66 115.08 3k5m s GLN 627 Ca 0.22 -0.23 0.01 0.00 0.02 0.00 0.00 55.36 55.39 3k5m s GLN 627 Cb 0.01 -0.39 0.00 0.00 1.00 0.00 0.00 33.01 33.63 3k5m s GLN 627 CO 0.06 0.11 -0.05 0.50 -2.12 0.00 0.00 175.29 173.79 3k5m s ARG 628 N -0.24 0.50 0.08 2.91 3.52 0.27 -4.96 118.95 121.03 3k5m s ARG 628 Ca 0.01 -0.15 -0.04 0.00 -0.13 0.00 0.00 55.73 55.42 3k5m s ARG 628 Cb -0.03 -0.51 -0.05 0.00 -1.56 0.00 0.00 34.95 32.80 3k5m s ARG 628 CO -0.00 0.05 0.30 -1.64 -0.81 0.00 0.00 175.30 173.21 3k5m s MET 629 N 0.19 3.57 -0.06 5.12 -1.94 -1.26 -0.57 119.30 124.35 3k5m s MET 629 Ca -0.02 -0.15 0.05 0.00 -1.71 0.00 0.00 55.69 53.86 3k5m s MET 629 Cb -0.06 -2.97 -0.01 0.00 2.01 0.00 0.00 34.83 33.80 3k5m s MET 629 CO -0.00 0.56 -0.23 0.08 -0.01 0.00 0.00 175.02 175.42 3k5m s VAL 630 N -1.50 1.93 -0.10 -6.03 1.01 -0.00 -4.98 120.40 110.73 3k5m s VAL 630 Ca 0.35 -0.98 0.03 0.00 0.00 0.00 0.00 61.98 61.37 3k5m s VAL 630 Cb -0.13 -1.64 0.01 0.00 0.00 0.00 0.00 36.38 34.62 3k5m s VAL 630 CO 0.22 0.54 -0.18 -0.36 0.00 0.00 0.00 175.10 175.32 3k5m s PHE 631 N 0.01 2.11 -0.24 5.22 0.08 -1.26 -1.61 117.98 122.29 3k5m s PHE 631 Ca -0.07 -0.91 0.02 0.00 0.12 0.00 0.00 56.93 56.09 3k5m s PHE 631 Cb -0.14 -1.47 0.04 0.00 -0.57 0.00 0.00 43.02 40.88 3k5m s PHE 631 CO 0.05 -0.42 -0.13 0.15 -0.10 0.00 0.00 175.22 174.77 3k5m s LYS 632 N 0.66 2.55 0.00 0.44 -0.14 -0.26 -4.76 119.74 118.22 3k5m s LYS 632 Ca -0.13 -1.14 0.00 0.00 -1.36 0.00 0.00 55.97 53.34 3k5m s LYS 632 Cb -0.16 -2.81 0.00 0.00 -1.68 0.00 0.00 37.83 33.18 3k5m s LYS 632 CO 0.03 -0.44 0.00 0.41 -0.76 0.00 0.00 175.35 174.59 3k5m n GLY 633 N 4.52 2.96 3.78 -3.33 0.00 -1.26 -1.84 105.19 110.02 3k5m n GLY 633 Ca -0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.56 3k5m n GLY 633 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3k5m s LEU 634 N 0.00 2.36 0.51 0.99 1.43 -1.26 -4.90 118.68 117.81 3k5m s LEU 634 Ca 0.00 1.26 0.28 0.00 -1.03 0.00 0.00 54.13 54.63 3k5m s LEU 634 Cb 0.00 -3.75 1.38 0.00 0.03 0.00 0.00 46.19 43.85 3k5m s LEU 634 CO 0.00 -2.27 1.89 -0.33 0.23 0.00 0.00 176.35 175.87 3k5m h GLU 635 N -1.30 0.09 -0.47 1.70 3.07 -1.95 -0.76 114.58 114.97 3k5m h GLU 635 Ca -0.49 -0.01 0.03 0.00 -0.50 0.00 0.00 59.36 58.40 3k5m h GLU 635 Cb 1.29 -0.02 -0.03 0.00 -0.84 0.00 0.00 28.75 29.15 3k5m h GLU 635 CO 0.59 0.06 0.31 1.79 -1.40 0.00 0.00 179.01 180.36 3k5m h THR 636 N 0.09 1.05 -0.12 1.13 1.35 -1.89 -1.59 112.91 112.94 3k5m h THR 636 Ca 0.42 -0.18 0.00 0.00 -0.55 0.00 0.00 66.41 66.10 3k5m h THR 636 Cb 1.52 0.48 0.00 0.00 -1.73 0.00 0.00 68.15 68.42 3k5m h THR 636 CO -0.05 0.10 0.00 1.33 -0.25 0.00 0.00 175.52 176.65 3k5m n VAL 637 N -4.48 0.13 -3.25 6.82 0.24 -0.29 -4.86 118.33 112.64 3k5m n VAL 637 Ca 0.05 -0.42 -0.40 0.00 -2.04 0.00 0.00 64.34 61.53 3k5m n VAL 637 Cb 0.15 0.83 -0.08 0.00 -1.47 0.00 0.00 33.84 33.27 3k5m n VAL 637 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 3k5m s ARG 638 N -1.87 4.08 0.29 7.34 0.52 -0.60 -4.93 118.95 123.78 3k5m s ARG 638 Ca 0.34 0.32 0.24 0.00 -0.52 0.00 0.00 55.73 56.10 3k5m s ARG 638 Cb 0.20 -3.64 1.04 0.00 0.52 0.00 0.00 34.95 33.08 3k5m s ARG 638 CO 0.31 -0.31 1.72 0.25 0.02 0.00 0.00 175.30 177.28 3k5m n THR 639 N 5.06 0.85 0.51 0.02 -2.24 -1.26 -2.15 114.28 115.07 3k5m n THR 639 Ca -0.04 0.33 0.10 0.00 -2.27 0.00 0.00 64.05 62.16 3k5m n THR 639 Cb 0.50 -1.28 0.26 0.00 -2.10 0.00 0.00 70.33 67.71 3k5m n THR 639 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3k5m n ASP 640 N -2.28 2.73 -4.81 3.42 5.75 -1.25 -4.36 116.55 115.74 3k5m n ASP 640 Ca 0.01 -1.94 -0.24 0.00 -0.01 0.00 0.00 54.79 52.62 3k5m n ASP 640 Cb 0.19 -0.28 -0.05 0.00 -1.03 0.00 0.00 41.12 39.96 3k5m n ASP 640 CO 0.00 0.00 0.00 0.26 -0.11 0.00 0.00 177.20 177.35 3k5m s TRP 641 N -1.45 3.13 0.66 2.11 0.52 -0.91 -4.66 118.94 118.34 3k5m s TRP 641 Ca 0.36 -0.07 -0.14 0.00 0.02 0.00 0.00 56.10 56.27 3k5m s TRP 641 Cb 0.19 -1.45 -0.00 0.00 -1.15 0.00 0.00 33.47 31.05 3k5m s TRP 641 CO 0.26 0.52 1.08 0.95 0.02 0.00 0.00 176.95 179.78 3k5m s THR 642 N -1.96 3.65 0.45 2.01 -4.23 -1.26 -4.79 115.64 109.51 3k5m s THR 642 Ca 0.32 0.68 0.13 0.00 -1.18 0.00 0.00 61.69 61.64 3k5m s THR 642 Cb -0.09 -3.25 0.21 0.00 1.34 0.00 0.00 72.50 70.71 3k5m s THR 642 CO 0.24 -0.56 2.03 -0.65 -0.54 0.00 0.00 174.62 175.14 3k5m h PRO 643 N -0.15 0.12 -0.09 3.99 0.11 -1.75 -1.57 132.00 132.66 3k5m h PRO 643 Ca -0.46 -0.02 0.02 0.00 0.11 0.00 0.00 66.00 65.65 3k5m h PRO 643 Cb 1.23 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.30 3k5m h PRO 643 CO 0.56 0.19 -0.02 1.25 -0.21 0.00 0.00 178.00 179.77 3k5m h LEU 644 N 0.11 -0.08 -0.44 2.35 5.85 -1.69 0.10 115.31 121.51 3k5m h LEU 644 Ca 0.03 0.03 -0.06 0.00 0.84 0.00 0.00 57.88 58.71 3k5m h LEU 644 Cb 0.20 0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.27 3k5m h LEU 644 CO 0.01 -0.03 0.04 0.00 -0.34 0.00 0.00 178.44 178.12 3k5m h ALA 645 N 1.09 0.59 0.17 1.25 0.00 -1.71 -1.53 119.26 119.12 3k5m h ALA 645 Ca 0.04 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 3k5m h ALA 645 Cb 0.06 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.69 3k5m h ALA 645 CO -0.09 0.34 -0.08 1.96 0.00 0.00 0.00 179.25 181.38 3k5m h GLN 646 N 0.60 -0.22 0.00 0.00 4.20 -0.68 -0.92 115.11 118.09 3k5m h GLN 646 Ca 0.13 0.02 -0.09 0.00 0.06 0.00 0.00 58.65 58.76 3k5m h GLN 646 Cb 0.43 0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.25 3k5m h GLN 646 CO 0.01 -0.07 -0.44 -0.56 -0.67 0.00 0.00 178.83 177.11 3k5m h GLN 647 N -0.33 0.00 -0.51 1.46 3.07 -0.91 -2.54 115.11 115.35 3k5m h GLN 647 Ca -0.02 0.00 -0.04 0.00 0.09 0.00 0.00 58.65 58.67 3k5m h GLN 647 Cb 0.26 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 27.80 3k5m h GLN 647 CO 0.04 0.44 0.15 0.35 0.09 0.00 0.00 178.83 179.89 3k5m h PHE 648 N 0.00 0.83 -0.31 0.06 3.57 -1.00 -1.50 116.94 118.59 3k5m h PHE 648 Ca -0.00 -0.09 -0.01 0.00 3.53 0.00 0.00 57.97 61.39 3k5m h PHE 648 Cb 0.93 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 39.42 3k5m h PHE 648 CO 0.00 0.73 0.15 0.37 -2.23 0.00 0.00 178.31 177.33 3k5m h GLN 649 N 0.70 0.45 -0.17 1.11 4.15 -0.97 0.14 115.11 120.52 3k5m h GLN 649 Ca 0.16 -0.07 -0.01 0.00 0.77 0.00 0.00 58.65 59.51 3k5m h GLN 649 Cb 0.30 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 27.90 3k5m h GLN 649 CO -0.00 0.43 0.07 1.96 -1.93 0.00 0.00 178.83 179.35 3k5m h GLN 650 N 0.37 0.25 -0.50 1.69 4.20 -1.37 0.23 115.11 119.99 3k5m h GLN 650 Ca 0.11 -0.04 -0.10 0.00 0.06 0.00 0.00 58.65 58.67 3k5m h GLN 650 Cb 0.12 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.84 3k5m h GLN 650 CO -0.01 0.32 -0.10 0.93 -0.67 0.00 0.00 178.83 179.30 3k5m h GLU 651 N 0.12 0.91 -0.38 1.46 5.08 -1.17 0.47 114.58 121.07 3k5m h GLU 651 Ca 0.06 -0.31 -0.15 0.00 -1.00 0.00 0.00 59.36 57.95 3k5m h GLU 651 Cb 0.16 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 3k5m h GLU 651 CO -0.01 0.96 -0.36 1.25 -1.00 0.00 0.00 179.01 179.86 3k5m h LEU 652 N 0.82 0.94 -0.39 1.33 5.85 -0.60 -2.94 115.31 120.32 3k5m h LEU 652 Ca 0.13 -0.41 -0.12 0.00 0.84 0.00 0.00 57.88 58.32 3k5m h LEU 652 Cb 0.62 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.38 3k5m h LEU 652 CO 0.04 1.19 -0.23 1.88 -0.34 0.00 0.00 178.44 180.98 3k5m h TYR 653 N 0.73 0.98 -0.45 1.25 -1.99 -0.37 -2.64 116.97 114.49 3k5m h TYR 653 Ca 0.07 -0.26 0.01 0.00 2.00 0.00 0.00 58.73 60.55 3k5m h TYR 653 Cb 0.94 -0.22 -0.03 0.00 2.00 0.00 0.00 36.73 39.42 3k5m h TYR 653 CO 0.06 1.03 0.28 1.25 -0.00 0.00 0.00 178.16 180.78 3k5m h LEU 654 N 0.65 0.48 -0.43 3.88 5.85 -0.93 0.03 115.31 124.83 3k5m h LEU 654 Ca 0.08 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.78 3k5m h LEU 654 Cb 0.79 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.69 3k5m h LEU 654 CO 0.07 0.34 0.21 0.03 -0.34 0.00 0.00 178.44 178.75 3k5m h ARG 655 N 0.57 0.62 -0.32 1.25 3.08 -1.50 -1.65 114.38 116.43 3k5m h ARG 655 Ca 0.17 -0.09 -0.08 0.00 0.07 0.00 0.00 59.98 60.05 3k5m h ARG 655 Cb -0.03 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 29.89 3k5m h ARG 655 CO -0.06 0.53 -0.14 0.82 -1.07 0.00 0.00 179.97 180.05 3k5m h ILE 656 N 0.56 1.24 -0.31 2.04 2.04 -1.15 0.98 117.51 122.92 3k5m h ILE 656 Ca 0.15 -1.11 -0.08 0.00 1.00 0.00 0.00 64.86 64.82 3k5m h ILE 656 Cb 0.11 1.16 -0.02 0.00 -0.74 0.00 0.00 36.82 37.33 3k5m h ILE 656 CO -0.02 0.36 -0.16 -0.26 0.00 0.00 0.00 178.15 178.07 3k5m h PHE 657 N 0.52 0.60 -0.42 1.37 0.04 -0.74 -2.44 116.94 115.86 3k5m h PHE 657 Ca 0.09 -0.11 0.00 0.00 2.80 0.00 0.00 57.97 60.75 3k5m h PHE 657 Cb 0.55 -0.16 0.00 0.00 2.20 0.00 0.00 35.95 38.55 3k5m h PHE 657 CO 0.02 0.68 0.00 0.54 -0.60 0.00 0.00 178.31 178.95 3k5m n ARG 658 N -4.17 2.05 -3.81 1.51 1.74 -0.64 -4.93 116.66 108.42 3k5m n ARG 658 Ca 0.00 -1.63 -0.27 0.00 -0.77 0.00 0.00 57.85 55.19 3k5m n ARG 658 Cb 0.36 -1.37 0.04 0.00 -1.02 0.00 0.00 32.46 30.46 3k5m n ARG 658 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3k5m n ASN 659 N 0.82 -3.92 -4.71 0.55 3.02 -0.70 -5.00 115.26 105.32 3k5m n ASN 659 Ca 0.16 -0.76 -0.24 0.00 -0.03 0.00 0.00 54.58 53.71 3k5m n ASN 659 Cb 0.39 -4.10 -0.07 0.00 -0.61 0.00 0.00 39.78 35.39 3k5m n ASN 659 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 3k5m s GLU 660 N -6.38 2.26 0.48 3.52 2.02 0.26 -5.02 118.70 115.84 3k5m s GLU 660 Ca 0.46 -1.68 -0.24 0.00 0.02 0.00 0.00 54.97 53.53 3k5m s GLU 660 Cb -0.22 -2.06 -0.07 0.00 0.10 0.00 0.00 34.13 31.87 3k5m s GLU 660 CO 0.81 0.04 1.34 -2.14 0.02 0.00 0.00 175.26 175.33 3k5m s PRO 661 N -3.84 3.54 0.00 0.39 0.02 -1.26 -4.44 135.00 129.41 3k5m s PRO 661 Ca 0.38 2.20 0.00 0.00 0.02 0.00 0.00 61.00 63.60 3k5m s PRO 661 Cb -0.00 -2.48 0.00 0.00 0.02 0.00 0.00 34.50 32.04 3k5m s PRO 661 CO 0.22 -0.86 0.00 2.48 -0.33 0.00 0.00 177.00 178.51 3k5m n TYR 662 N -0.50 0.00 -0.23 6.54 0.18 -1.26 -4.84 117.16 117.06 3k5m n TYR 662 Ca 0.07 0.00 -0.03 0.00 1.88 0.00 0.00 57.90 59.82 3k5m n TYR 662 Cb 0.44 0.00 0.08 0.00 -0.38 0.00 0.00 39.34 39.48 3k5m n TYR 662 CO 0.00 0.00 0.00 1.96 -2.08 0.00 0.00 176.86 176.74 3k5m h GLN 663 N 0.00 0.73 -0.44 -3.48 4.20 -2.00 0.91 115.11 115.03 3k5m h GLN 663 Ca 0.00 -0.04 -0.11 0.00 0.06 0.00 0.00 58.65 58.56 3k5m h GLN 663 Cb 0.00 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 27.60 3k5m h GLN 663 CO 0.00 0.48 -0.17 0.93 -0.67 0.00 0.00 178.83 179.40 3k5m h GLU 664 N 0.75 0.85 -0.57 1.46 5.08 -1.99 -1.95 114.58 118.21 3k5m h GLU 664 Ca 0.27 -0.32 -0.03 0.00 -1.00 0.00 0.00 59.36 58.28 3k5m h GLU 664 Cb 0.07 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.25 3k5m h GLU 664 CO -0.13 0.95 0.24 -0.92 -1.00 0.00 0.00 179.01 178.15 3k5m h TYR 665 N 0.75 0.85 -0.28 4.33 3.20 -1.51 -0.91 116.97 123.41 3k5m h TYR 665 Ca 0.11 -0.06 -0.02 0.00 3.14 0.00 0.00 58.73 61.90 3k5m h TYR 665 Cb 0.69 -0.26 -0.01 0.00 1.54 0.00 0.00 36.73 38.69 3k5m h TYR 665 CO 0.04 0.68 0.10 0.28 -1.64 0.00 0.00 178.16 177.62 3k5m h VAL 666 N 0.78 1.19 -0.50 1.81 2.07 -0.72 -0.82 116.25 120.05 3k5m h VAL 666 Ca 0.19 -0.60 -0.05 0.00 0.82 0.00 0.00 66.70 67.06 3k5m h VAL 666 Cb 0.18 1.06 -0.02 0.00 -1.52 0.00 0.00 31.29 30.99 3k5m h VAL 666 CO -0.02 0.20 0.10 0.03 0.02 0.00 0.00 177.57 177.90 3k5m h ARG 667 N 0.29 0.77 -0.48 1.57 3.08 -1.23 -1.16 114.38 117.22 3k5m h ARG 667 Ca 0.09 -0.16 -0.08 0.00 0.07 0.00 0.00 59.98 59.90 3k5m h ARG 667 Cb 0.22 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.14 3k5m h ARG 667 CO -0.00 0.71 -0.01 1.49 -1.07 0.00 0.00 179.97 181.09 3k5m h GLU 668 N 0.74 0.85 -0.20 0.04 4.81 -0.97 0.36 114.58 120.21 3k5m h GLU 668 Ca 0.16 -0.28 -0.01 0.00 -0.13 0.00 0.00 59.36 59.10 3k5m h GLU 668 Cb 0.31 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.61 3k5m h GLU 668 CO 0.00 0.90 0.09 1.15 -0.73 0.00 0.00 179.01 180.42 3k5m h THR 669 N 0.71 1.15 -0.58 0.32 2.02 -0.76 -1.60 112.91 114.17 3k5m h THR 669 Ca 0.13 -0.45 0.01 0.00 0.77 0.00 0.00 66.41 66.87 3k5m h THR 669 Cb 0.53 1.08 -0.03 0.00 -1.74 0.00 0.00 68.15 67.99 3k5m h THR 669 CO 0.03 0.15 0.38 0.40 0.37 0.00 0.00 175.52 176.84 3k5m h ILE 670 N 0.18 1.13 -0.47 3.11 2.04 -1.06 -1.70 117.51 120.74 3k5m h ILE 670 Ca 0.07 -0.26 0.01 0.00 1.00 0.00 0.00 64.86 65.67 3k5m h ILE 670 Cb 0.15 0.29 -0.02 0.00 -0.74 0.00 0.00 36.82 36.50 3k5m h ILE 670 CO -0.01 0.14 0.31 0.44 0.00 0.00 0.00 178.15 179.03 3k5m h ASP 671 N 0.77 0.52 -0.59 1.72 3.32 -0.73 -1.99 116.42 119.44 3k5m h ASP 671 Ca 0.22 -0.01 -0.05 0.00 0.02 0.00 0.00 57.03 57.21 3k5m h ASP 671 Cb -0.06 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 39.33 3k5m h ASP 671 CO -0.06 0.38 0.21 0.11 -1.72 0.00 0.00 179.24 178.16 3k5m h LYS 672 N 0.62 0.95 -0.13 3.56 6.56 -0.97 -1.57 116.57 125.58 3k5m h LYS 672 Ca 0.17 -0.18 -0.01 0.00 -1.06 0.00 0.00 60.65 59.58 3k5m h LYS 672 Cb -0.06 -0.15 -0.01 0.00 -0.57 0.00 0.00 32.23 31.44 3k5m h LYS 672 CO -0.04 0.80 0.05 1.25 -2.06 0.00 0.00 179.45 179.45 3k5m h LEU 673 N 0.92 0.19 -1.73 2.94 5.85 -0.95 -0.04 115.31 122.49 3k5m h LEU 673 Ca 0.21 -0.19 -0.04 0.00 0.84 0.00 0.00 57.88 58.71 3k5m h LEU 673 Cb 0.24 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.22 3k5m h LEU 673 CO -0.01 0.33 -0.17 0.24 -0.34 0.00 0.00 178.44 178.49 3k5m h MET 674 N 0.04 0.00 -0.01 1.25 2.86 -1.09 -2.13 114.93 115.85 3k5m h MET 674 Ca 0.04 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.68 3k5m h MET 674 Cb 0.20 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.86 3k5m h MET 674 CO -0.00 0.17 0.00 0.00 1.06 0.00 0.00 176.91 178.14 3k5m n ALA 675 N -2.33 2.66 -1.55 6.32 0.00 -0.62 -4.88 120.51 120.11 3k5m n ALA 675 Ca -0.02 -0.24 -0.07 0.00 0.00 0.00 0.00 53.44 53.12 3k5m n ALA 675 Cb 0.28 -1.42 -0.02 0.00 0.00 0.00 0.00 19.45 18.28 3k5m n ALA 675 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3k5m n GLY 676 N 1.01 0.59 0.05 0.00 0.00 -0.80 -4.92 105.19 101.11 3k5m n GLY 676 Ca 0.22 -0.69 0.12 0.00 0.00 0.00 0.00 46.02 45.66 3k5m n GLY 676 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3k5m n GLU 677 N -2.36 0.14 -0.47 1.61 -0.00 -0.05 -4.20 120.64 115.30 3k5m n GLU 677 Ca -0.07 -0.09 0.07 0.00 -0.00 0.00 0.00 57.16 57.06 3k5m n GLU 677 Cb 0.35 -1.50 0.19 0.00 -0.00 0.00 0.00 31.44 30.49 3k5m n GLU 677 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 3k5m n LEU 678 N -1.35 2.68 -0.25 -1.84 4.77 -1.23 -4.83 117.00 114.96 3k5m n LEU 678 Ca 0.06 -3.69 0.16 0.00 -0.03 0.00 0.00 56.01 52.51 3k5m n LEU 678 Cb 0.34 -0.51 0.45 0.00 -2.33 0.00 0.00 43.42 41.37 3k5m n LEU 678 CO 0.35 1.22 1.22 0.44 -1.33 0.00 0.00 177.39 179.29 3k5m h ASP 679 N 0.76 0.52 0.34 -1.43 5.19 -1.92 0.20 116.42 120.07 3k5m h ASP 679 Ca 0.01 0.04 0.00 0.00 -0.62 0.00 0.00 57.03 56.46 3k5m h ASP 679 Cb 1.03 -0.06 0.00 0.00 0.18 0.00 0.00 39.33 40.48 3k5m h ASP 679 CO 0.02 0.23 0.00 0.00 -3.12 0.00 0.00 179.24 176.37 3k5m h ALA 680 N 1.61 1.00 -0.53 3.45 0.00 -1.94 -2.47 119.26 120.39 3k5m h ALA 680 Ca 0.45 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.36 3k5m h ALA 680 Cb 0.95 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.74 3k5m h ALA 680 CO -0.19 0.00 0.00 0.54 0.00 0.00 0.00 179.25 179.60 3k5m n ARG 681 N -2.90 2.28 -0.70 0.00 1.74 0.69 -4.44 116.66 113.33 3k5m n ARG 681 Ca -0.01 -1.98 0.08 0.00 -0.77 0.00 0.00 57.85 55.17 3k5m n ARG 681 Cb 0.14 -1.44 0.34 0.00 -1.02 0.00 0.00 32.46 30.49 3k5m n ARG 681 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3k5m n LEU 682 N 1.12 4.93 -4.71 0.55 4.77 -0.93 -1.77 117.00 120.95 3k5m n LEU 682 Ca 0.19 -2.92 -0.38 0.00 -0.03 0.00 0.00 56.01 52.86 3k5m n LEU 682 Cb 0.47 -0.62 -0.06 0.00 -2.33 0.00 0.00 43.42 40.88 3k5m n LEU 682 CO 0.13 0.66 0.21 -0.69 -1.33 0.00 0.00 177.39 176.37 3k5m s VAL 683 N -2.70 5.16 -0.02 4.08 1.01 -1.26 -4.67 120.40 121.99 3k5m s VAL 683 Ca 0.49 1.00 -0.18 0.00 0.00 0.00 0.00 61.98 63.29 3k5m s VAL 683 Cb 0.38 -3.84 -0.05 0.00 0.00 0.00 0.00 36.38 32.86 3k5m s VAL 683 CO 0.14 0.28 0.49 -0.31 0.00 0.00 0.00 175.10 175.70 3k5m s TYR 684 N 0.89 3.68 -0.09 5.22 2.02 0.11 -4.43 117.35 124.75 3k5m s TYR 684 Ca 0.26 1.06 0.01 0.00 -0.37 0.00 0.00 57.07 58.03 3k5m s TYR 684 Cb -0.15 -2.46 0.02 0.00 -0.40 0.00 0.00 41.96 38.97 3k5m s TYR 684 CO 0.11 0.45 -0.08 0.50 -1.57 0.00 0.00 175.55 174.96 3k5m s ARG 685 N -0.47 1.46 -0.08 -0.62 3.52 -1.26 -0.66 118.95 120.83 3k5m s ARG 685 Ca 0.27 -0.27 -0.11 0.00 -0.13 0.00 0.00 55.73 55.49 3k5m s ARG 685 Cb -0.17 -1.42 0.03 0.00 -1.56 0.00 0.00 34.95 31.82 3k5m s ARG 685 CO 0.14 -0.16 0.29 0.21 -0.81 0.00 0.00 175.30 174.97 3k5m s LYS 686 N 1.32 0.43 0.48 5.12 2.20 -1.06 -3.85 119.74 124.38 3k5m s LYS 686 Ca -0.03 0.22 -0.21 0.00 -0.36 0.00 0.00 55.97 55.59 3k5m s LYS 686 Cb -0.14 0.20 -0.08 0.00 -1.51 0.00 0.00 37.83 36.30 3k5m s LYS 686 CO -0.03 -0.08 1.05 1.03 -0.36 0.00 0.00 175.35 176.95 3k5m s ARG 687 N -0.29 3.81 -0.38 4.03 0.52 -1.26 -1.35 118.95 124.02 3k5m s ARG 687 Ca -0.04 1.41 -0.10 0.00 -0.52 0.00 0.00 55.73 56.47 3k5m s ARG 687 Cb -0.03 -2.14 0.03 0.00 0.52 0.00 0.00 34.95 33.33 3k5m s ARG 687 CO 0.01 -0.43 0.20 -0.51 0.02 0.00 0.00 175.30 174.59 3k5m s LEU 688 N -3.41 4.72 0.07 2.53 1.43 0.18 -4.90 118.68 119.30 3k5m s LEU 688 Ca 0.67 -1.07 0.24 0.00 -1.03 0.00 0.00 54.13 52.93 3k5m s LEU 688 Cb -0.18 -2.00 0.35 0.00 0.03 0.00 0.00 46.19 44.40 3k5m s LEU 688 CO 0.21 -0.40 1.31 0.54 0.23 0.00 0.00 176.35 178.24 3k5m n ARG 689 N 4.97 0.20 -4.41 1.70 1.74 -1.26 -2.61 116.66 116.99 3k5m n ARG 689 Ca -0.12 0.05 -0.27 0.00 -0.77 0.00 0.00 57.85 56.74 3k5m n ARG 689 Cb 0.45 -1.61 -0.12 0.00 -1.02 0.00 0.00 32.46 30.16 3k5m n ARG 689 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 3k5m s ARG 690 N -3.12 1.55 0.43 5.56 0.52 -1.26 -4.92 118.95 117.71 3k5m s ARG 690 Ca 0.07 -1.49 -0.26 0.00 -0.52 0.00 0.00 55.73 53.54 3k5m s ARG 690 Cb 0.15 -1.88 -0.09 0.00 0.52 0.00 0.00 34.95 33.65 3k5m s ARG 690 CO 0.73 0.41 1.41 -2.14 0.02 0.00 0.00 175.30 175.72 3k5m s PRO 691 N -2.62 3.82 0.25 3.54 0.02 -1.26 -4.21 135.00 134.54 3k5m s PRO 691 Ca 0.20 2.39 -0.03 0.00 0.02 0.00 0.00 61.00 63.58 3k5m s PRO 691 Cb -0.08 -2.73 0.49 0.00 0.02 0.00 0.00 34.50 32.20 3k5m s PRO 691 CO 0.10 -0.70 1.74 1.25 -0.33 0.00 0.00 177.00 179.06 3k5m h LEU 692 N 2.52 0.37 -1.45 -5.54 5.85 -1.54 -2.26 115.31 113.25 3k5m h LEU 692 Ca -0.51 0.10 -0.04 0.00 0.84 0.00 0.00 57.88 58.27 3k5m h LEU 692 Cb 1.26 0.06 -0.01 0.00 0.37 0.00 0.00 40.66 42.34 3k5m h LEU 692 CO 0.62 0.14 -0.12 0.77 -0.34 0.00 0.00 178.44 179.51 3k5m h SER 693 N 0.51 0.20 0.57 1.25 4.64 -1.89 -3.15 113.55 115.67 3k5m h SER 693 Ca 0.43 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.72 3k5m h SER 693 Cb 0.65 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.69 3k5m h SER 693 CO -0.39 0.34 0.00 -0.33 -0.87 0.00 0.00 176.83 175.58 3k5m h GLU 694 N 0.20 0.00 -6.33 4.77 5.08 -1.77 -3.41 114.58 113.12 3k5m h GLU 694 Ca 0.04 0.00 -0.57 0.00 -1.00 0.00 0.00 59.36 57.84 3k5m h GLU 694 Cb 0.34 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.55 3k5m h GLU 694 CO 0.02 0.00 1.05 0.71 -1.00 0.00 0.00 179.01 179.79 3k5m s TYR 695 N -3.88 2.38 0.00 4.33 2.02 -1.19 -4.76 117.35 116.24 3k5m s TYR 695 Ca -0.02 0.70 0.00 0.00 -0.37 0.00 0.00 57.07 57.39 3k5m s TYR 695 Cb 0.11 -3.97 0.00 0.00 -0.40 0.00 0.00 41.96 37.70 3k5m s TYR 695 CO 0.48 -2.33 0.00 1.04 -1.57 0.00 0.00 175.55 173.18 3k5m n GLN 696 N 7.53 2.02 -4.72 -0.62 1.13 -1.26 -4.93 117.38 116.53 3k5m n GLN 696 Ca 0.17 0.00 -0.33 0.00 -1.94 0.00 0.00 57.00 54.90 3k5m n GLN 696 Cb 0.46 -0.81 -0.14 0.00 0.11 0.00 0.00 30.24 29.86 3k5m n GLN 696 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 3k5m s ARG 697 N -1.47 3.42 -1.36 -1.09 1.81 -1.26 -4.70 118.95 114.31 3k5m s ARG 697 Ca 0.00 -0.66 -0.09 0.00 -1.72 0.00 0.00 55.73 53.26 3k5m s ARG 697 Cb 0.00 -2.67 0.01 0.00 -0.45 0.00 0.00 34.95 31.83 3k5m s ARG 697 CO 0.00 0.23 0.44 0.09 -0.68 0.00 0.00 175.30 175.38 3k5m n ASN 698 N 3.50 -1.58 -4.69 0.23 3.02 -1.26 -4.65 115.26 109.82 3k5m n ASN 698 Ca -0.18 -1.11 -0.58 0.00 -0.03 0.00 0.00 54.58 52.68 3k5m n ASN 698 Cb 0.53 -2.59 -0.07 0.00 -0.61 0.00 0.00 39.78 37.03 3k5m n ASN 698 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 3k5m n VAL 699 N -4.50 0.22 -1.91 2.41 0.31 -1.26 -4.92 118.33 108.67 3k5m n VAL 699 Ca -0.24 -0.04 -0.33 0.00 -0.01 0.00 0.00 64.34 63.72 3k5m n VAL 699 Cb 0.65 -1.05 0.03 0.00 -0.91 0.00 0.00 33.84 32.56 3k5m n VAL 699 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 3k5m s PRO 700 N 2.89 3.05 0.28 5.55 0.04 -1.26 -4.83 135.00 140.72 3k5m s PRO 700 Ca 0.97 1.32 0.01 0.00 0.04 0.00 0.00 61.00 63.34 3k5m s PRO 700 Cb -1.10 -1.99 0.54 0.00 0.04 0.00 0.00 34.50 31.98 3k5m s PRO 700 CO 0.64 -1.04 1.83 -1.00 0.04 0.00 0.00 177.00 177.47 3k5m h PRO 701 N 0.27 0.93 -0.34 0.56 0.13 -1.98 -0.60 132.00 130.97 3k5m h PRO 701 Ca -0.47 -0.06 -0.08 0.00 -0.87 0.00 0.00 66.00 64.52 3k5m h PRO 701 Cb 1.24 -0.21 -0.02 0.00 0.13 0.00 0.00 31.00 32.14 3k5m h PRO 701 CO 0.56 0.62 -0.12 1.12 -0.23 0.00 0.00 178.00 179.94 3k5m h HIS 702 N 0.96 0.63 -0.38 1.56 2.07 -1.97 0.53 115.15 118.56 3k5m h HIS 702 Ca 0.49 -0.10 -0.16 0.00 -2.85 0.00 0.00 60.37 57.74 3k5m h HIS 702 Cb 0.48 -0.17 -0.01 0.00 2.57 0.00 0.00 27.41 30.29 3k5m h HIS 702 CO -0.01 0.69 -0.40 0.28 -3.07 0.00 0.00 177.93 175.42 3k5m h VAL 703 N 0.54 1.27 -0.80 6.12 2.07 -1.66 -1.16 116.25 122.62 3k5m h VAL 703 Ca 0.10 -1.57 -0.01 0.00 0.82 0.00 0.00 66.70 66.04 3k5m h VAL 703 Cb 0.53 1.41 -0.04 0.00 -1.52 0.00 0.00 31.29 31.67 3k5m h VAL 703 CO 0.03 0.52 0.48 -0.09 0.02 0.00 0.00 177.57 178.54 3k5m h ARG 704 N 0.75 1.09 -0.44 1.57 2.43 -0.77 -1.84 114.38 117.17 3k5m h ARG 704 Ca 0.06 -0.10 -0.05 0.00 -0.81 0.00 0.00 59.98 59.07 3k5m h ARG 704 Cb 0.99 -0.23 -0.02 0.00 -0.42 0.00 0.00 29.97 30.30 3k5m h ARG 704 CO 0.10 0.77 0.06 0.00 -1.51 0.00 0.00 179.97 179.39 3k5m h ALA 705 N 1.26 0.59 -0.49 2.80 0.00 -0.69 -2.52 119.26 120.20 3k5m h ALA 705 Ca 0.29 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 3k5m h ALA 705 Cb -0.04 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 3k5m h ALA 705 CO -0.05 0.32 0.18 0.00 0.00 0.00 0.00 179.25 179.70 3k5m h ALA 706 N 0.94 0.64 -0.86 0.00 0.00 -0.91 -1.14 119.26 117.94 3k5m h ALA 706 Ca 0.13 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 54.88 3k5m h ALA 706 Cb 0.40 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 3k5m h ALA 706 CO 0.01 0.27 0.56 0.00 0.00 0.00 0.00 179.25 180.10 3k5m h ARG 707 N 0.66 1.13 -0.68 0.00 3.08 -1.28 -0.31 114.38 116.99 3k5m h ARG 707 Ca 0.16 -0.07 -0.04 0.00 0.07 0.00 0.00 59.98 60.09 3k5m h ARG 707 Cb 0.23 -0.25 -0.03 0.00 0.08 0.00 0.00 29.97 30.00 3k5m h ARG 707 CO -0.01 0.76 0.25 -0.07 -1.07 0.00 0.00 179.97 179.83 3k5m h LEU 708 N 1.16 0.96 -0.66 3.04 3.38 -1.05 -1.48 115.31 120.66 3k5m h LEU 708 Ca 0.31 -0.19 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 3k5m h LEU 708 Cb -0.12 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.35 3k5m h LEU 708 CO -0.07 0.89 0.40 0.00 0.09 0.00 0.00 178.44 179.75 3k5m h ALA 709 N 1.11 0.84 0.00 1.53 0.00 -0.11 -1.78 119.26 120.85 3k5m h ALA 709 Ca 0.22 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3k5m h ALA 709 Cb 0.24 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.77 3k5m h ALA 709 CO -0.01 0.31 0.00 -0.44 0.00 0.00 0.00 179.25 179.10 3k5m h ASP 710 N 0.90 0.00 -0.37 0.00 3.32 -0.85 0.15 116.42 119.57 3k5m h ASP 710 Ca 0.24 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 57.19 3k5m h ASP 710 Cb -0.04 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.50 3k5m h ASP 710 CO -0.05 0.00 -0.15 -0.33 -1.72 0.00 0.00 179.24 176.99 3k5m h GLU 711 N 0.00 0.76 -0.31 3.56 5.08 -0.74 -0.72 114.58 122.21 3k5m h GLU 711 Ca 0.00 -0.32 -0.09 0.00 -1.00 0.00 0.00 59.36 57.96 3k5m h GLU 711 Cb 0.68 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.89 3k5m h GLU 711 CO 0.00 0.93 -0.14 0.93 -1.00 0.00 0.00 179.01 179.73 3k5m h GLU 712 N 0.55 0.64 -0.17 2.33 4.39 -0.57 -1.85 114.58 119.91 3k5m h GLU 712 Ca 0.09 -0.28 0.00 0.00 0.34 0.00 0.00 59.36 59.51 3k5m h GLU 712 Cb 0.69 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.31 3k5m h GLU 712 CO 0.05 0.86 0.11 -0.91 -1.16 0.00 0.00 179.01 177.96 3k5m h ASN 713 N 0.40 0.19 -0.39 1.42 -0.26 -0.66 -1.44 115.58 114.84 3k5m h ASN 713 Ca 0.07 -0.01 0.06 0.00 -0.56 0.00 0.00 56.30 55.86 3k5m h ASN 713 Cb 0.66 -0.05 -0.05 0.00 -1.06 0.00 0.00 38.32 37.82 3k5m h ASN 713 CO 0.04 0.14 0.06 -0.61 -1.06 0.00 0.00 177.43 176.01 3k5m h GLN 714 N 0.22 0.18 -0.25 0.81 5.75 -1.03 0.17 115.11 120.96 3k5m h GLN 714 Ca 0.06 -0.01 -0.04 0.00 -0.15 0.00 0.00 58.65 58.51 3k5m h GLN 714 Cb -0.02 -0.04 -0.01 0.00 1.07 0.00 0.00 27.48 28.47 3k5m h GLN 714 CO -0.01 0.12 -0.02 0.87 -2.65 0.00 0.00 178.83 177.14 3k5m h LYS 715 N 0.19 0.37 -0.00 1.69 1.57 -1.21 -2.25 116.57 116.93 3k5m h LYS 715 Ca 0.19 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 3k5m h LYS 715 Cb 0.23 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.49 3k5m h LYS 715 CO -0.26 0.42 -0.12 0.54 -0.57 0.00 0.00 179.45 179.46 3k5m n ARG 716 N -4.32 0.64 -1.03 3.15 1.74 -0.30 -4.90 116.66 111.64 3k5m n ARG 716 Ca 0.01 -0.21 -0.01 0.00 -0.77 0.00 0.00 57.85 56.86 3k5m n ARG 716 Cb 0.22 -1.50 -0.01 0.00 -1.02 0.00 0.00 32.46 30.16 3k5m n ARG 716 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3k5m n GLY 717 N 1.29 0.49 3.87 -0.13 0.00 -0.23 -5.03 105.19 105.46 3k5m n GLY 717 Ca 0.14 -0.73 -0.34 0.00 0.00 0.00 0.00 46.02 45.08 3k5m n GLY 717 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3k5m s ARG 718 N -1.59 3.75 0.29 1.61 0.52 0.42 -5.00 118.95 118.95 3k5m s ARG 718 Ca 0.00 0.16 -0.30 0.00 -0.52 0.00 0.00 55.73 55.07 3k5m s ARG 718 Cb 0.00 -2.99 -0.12 0.00 0.52 0.00 0.00 34.95 32.37 3k5m s ARG 718 CO 0.00 0.55 1.58 -0.35 0.02 0.00 0.00 175.30 177.10 3k5m n PRO 719 N 0.85 2.65 -2.04 3.54 -0.04 -1.26 -3.93 135.00 134.76 3k5m n PRO 719 Ca -0.08 0.94 -0.39 0.00 -0.04 0.00 0.00 63.50 63.94 3k5m n PRO 719 Cb 0.52 -2.71 0.00 0.00 -0.04 0.00 0.00 33.50 31.27 3k5m n PRO 719 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3k5m s LEU 720 N -0.46 4.12 -0.01 1.53 2.01 -1.26 -4.92 118.68 119.69 3k5m s LEU 720 Ca 0.64 2.62 0.05 0.00 0.01 0.00 0.00 54.13 57.45 3k5m s LEU 720 Cb -0.51 -4.02 -0.08 0.00 0.01 0.00 0.00 46.19 41.59 3k5m s LEU 720 CO 0.49 -0.98 0.12 0.00 1.01 0.00 0.00 176.35 176.99 3k5m n GLN 721 N -0.16 0.29 -0.12 1.70 6.02 -1.26 -4.77 117.38 119.08 3k5m n GLN 721 Ca 0.05 -0.05 0.04 0.00 -0.01 0.00 0.00 57.00 57.04 3k5m n GLN 721 Cb 0.44 -1.13 0.10 0.00 1.02 0.00 0.00 30.24 30.68 3k5m n GLN 721 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 3k5m n TYR 722 N -1.71 0.25 -0.14 1.08 4.01 -1.26 -4.77 117.16 114.62 3k5m n TYR 722 Ca -0.01 -0.64 -0.11 0.00 -0.16 0.00 0.00 57.90 56.98 3k5m n TYR 722 Cb 0.16 -0.10 -0.01 0.00 -0.31 0.00 0.00 39.34 39.08 3k5m n TYR 722 CO 0.00 0.00 0.00 1.96 -0.46 0.00 0.00 176.86 178.36 3k5m h GLN 723 N 0.81 0.77 -2.11 -0.72 1.08 -1.97 -3.38 115.11 109.59 3k5m h GLN 723 Ca 0.00 -0.28 -0.58 0.00 -1.45 0.00 0.00 58.65 56.34 3k5m h GLN 723 Cb 0.78 -0.05 -0.41 0.00 -0.05 0.00 0.00 27.48 27.75 3k5m h GLN 723 CO 0.03 0.89 -0.83 -1.71 -0.95 0.00 0.00 178.83 176.26 3k5m n ASN 724 N -4.35 2.26 -0.16 1.46 5.15 -1.26 -1.87 115.26 116.48 3k5m n ASN 724 Ca -0.01 -3.15 0.00 0.00 -0.60 0.00 0.00 54.58 50.83 3k5m n ASN 724 Cb 0.35 -0.65 -0.00 0.00 -0.53 0.00 0.00 39.78 38.95 3k5m n ASN 724 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 3k5m n ARG 725 N 0.95 -0.42 -3.83 1.20 1.74 -1.26 -4.94 116.66 110.10 3k5m n ARG 725 Ca 0.26 0.33 0.00 0.00 -0.77 0.00 0.00 57.85 57.67 3k5m n ARG 725 Cb 0.47 -0.42 0.00 0.00 -1.02 0.00 0.00 32.46 31.49 3k5m n ARG 725 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3k5m n GLY 726 N -1.75 -0.95 3.07 -0.13 0.00 -1.07 -4.80 105.19 99.55 3k5m n GLY 726 Ca -0.00 -1.10 -0.26 0.00 0.00 0.00 0.00 46.02 44.66 3k5m n GLY 726 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3k5m s THR 727 N -3.00 1.31 -0.12 2.61 2.01 -1.26 0.49 115.64 117.68 3k5m s THR 727 Ca 0.00 -0.59 0.03 0.00 0.31 0.00 0.00 61.69 61.44 3k5m s THR 727 Cb 0.00 -1.17 0.01 0.00 0.01 0.00 0.00 72.50 71.34 3k5m s THR 727 CO 0.00 0.39 -0.22 -0.51 -0.69 0.00 0.00 174.62 173.59 3k5m s ILE 728 N 0.54 1.99 -0.17 1.82 1.10 -0.46 -4.97 121.20 121.05 3k5m s ILE 728 Ca -0.14 -0.96 -0.18 0.00 -0.51 0.00 0.00 60.65 58.85 3k5m s ILE 728 Cb -0.16 -1.75 -0.04 0.00 0.15 0.00 0.00 42.46 40.67 3k5m s ILE 728 CO 0.04 0.54 0.51 -0.54 -2.11 0.00 0.00 174.94 173.38 3k5m s LYS 729 N 0.60 4.24 0.11 3.50 1.02 -1.26 -2.58 119.74 125.38 3k5m s LYS 729 Ca -0.13 0.44 -0.06 0.00 0.02 0.00 0.00 55.97 56.24 3k5m s LYS 729 Cb -0.17 -3.52 -0.02 0.00 -0.52 0.00 0.00 37.83 33.61 3k5m s LYS 729 CO 0.03 -0.04 0.16 1.52 -0.92 0.00 0.00 175.35 176.09 3k5m s TYR 730 N 1.29 0.43 0.13 3.18 -0.85 0.16 -1.39 117.35 120.31 3k5m s TYR 730 Ca 0.25 -0.85 0.04 0.00 -0.52 0.00 0.00 57.07 55.99 3k5m s TYR 730 Cb -0.15 -0.20 -0.04 0.00 0.38 0.00 0.00 41.96 41.95 3k5m s TYR 730 CO 0.10 -0.57 -0.10 0.14 -1.52 0.00 0.00 175.55 173.60 3k5m s VAL 731 N -3.94 1.10 -0.28 -3.49 -7.23 -0.40 0.07 120.40 106.23 3k5m s VAL 731 Ca 0.13 -1.98 -0.10 0.00 -1.81 0.00 0.00 61.98 58.22 3k5m s VAL 731 Cb 0.05 -1.75 -0.04 0.00 0.56 0.00 0.00 36.38 35.20 3k5m s VAL 731 CO -0.05 -0.72 0.16 0.86 -0.31 0.00 0.00 175.10 175.04 3k5m s TRP 732 N -3.19 3.19 0.52 2.82 -0.11 -1.26 -0.27 118.94 120.63 3k5m s TRP 732 Ca 0.14 -0.10 0.03 0.00 1.22 0.00 0.00 56.10 57.39 3k5m s TRP 732 Cb 0.02 -2.35 0.00 0.00 -1.50 0.00 0.00 33.47 29.64 3k5m s TRP 732 CO 0.00 -0.25 0.14 0.95 -4.62 0.00 0.00 176.95 173.17 3k5m s THR 733 N 1.71 1.33 0.55 5.86 -4.23 -0.35 -1.63 115.64 118.87 3k5m s THR 733 Ca 0.07 -1.83 0.32 0.00 -1.18 0.00 0.00 61.69 59.07 3k5m s THR 733 Cb -0.16 -2.15 0.36 0.00 1.34 0.00 0.00 72.50 71.89 3k5m s THR 733 CO 0.09 0.00 2.23 0.71 -0.54 0.00 0.00 174.62 177.11 3k5m h THR 734 N 1.14 0.42 -0.50 3.99 1.35 -1.32 0.27 112.91 118.26 3k5m h THR 734 Ca -0.42 -0.15 0.00 0.00 -0.55 0.00 0.00 66.41 65.29 3k5m h THR 734 Cb 1.31 1.10 0.00 0.00 -1.73 0.00 0.00 68.15 68.83 3k5m h THR 734 CO 0.68 0.03 0.00 0.59 -0.25 0.00 0.00 175.52 176.57 3k5m n ASN 735 N -3.62 4.95 0.00 5.36 5.03 -1.26 -5.06 115.26 120.65 3k5m n ASN 735 Ca -0.03 -2.83 0.00 0.00 0.87 0.00 0.00 54.58 52.60 3k5m n ASN 735 Cb 0.13 -0.61 0.00 0.00 -1.02 0.00 0.00 39.78 38.28 3k5m n ASN 735 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3k5m n GLY 736 N 0.41 -2.40 3.73 7.41 0.00 0.08 -4.96 105.19 109.46 3k5m n GLY 736 Ca 0.25 -2.08 -0.42 0.00 0.00 0.00 0.00 46.02 43.77 3k5m n GLY 736 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3k5m s PRO 737 N -0.30 4.24 0.01 1.61 0.04 -1.26 -1.21 135.00 138.13 3k5m s PRO 737 Ca 0.00 2.33 0.02 0.00 0.04 0.00 0.00 61.00 63.39 3k5m s PRO 737 Cb 0.00 -3.14 -0.01 0.00 0.04 0.00 0.00 34.50 31.39 3k5m s PRO 737 CO 0.00 -0.53 -0.08 -1.21 0.04 0.00 0.00 177.00 175.22 3k5m s GLU 738 N 0.58 0.58 0.38 4.56 2.02 0.62 -4.56 118.70 122.87 3k5m s GLU 738 Ca 0.66 -0.44 -0.28 0.00 0.02 0.00 0.00 54.97 54.94 3k5m s GLU 738 Cb -0.43 -0.51 -0.10 0.00 0.10 0.00 0.00 34.13 33.19 3k5m s GLU 738 CO 0.36 0.13 1.44 -1.25 0.02 0.00 0.00 175.26 175.95 3k5m s PRO 739 N -0.65 4.11 0.17 0.39 0.04 -1.26 -1.28 135.00 136.51 3k5m s PRO 739 Ca -0.01 2.47 -0.11 0.00 0.04 0.00 0.00 61.00 63.38 3k5m s PRO 739 Cb -0.05 -2.95 0.05 0.00 0.04 0.00 0.00 34.50 31.60 3k5m s PRO 739 CO 0.00 -0.49 1.66 1.25 0.04 0.00 0.00 177.00 179.46 3k5m h LEU 740 N 2.99 0.89 -2.03 -3.56 5.85 -1.56 -1.31 115.31 116.59 3k5m h LEU 740 Ca -0.50 -0.25 -0.01 0.00 0.84 0.00 0.00 57.88 57.95 3k5m h LEU 740 Cb 1.24 -0.24 -0.00 0.00 0.37 0.00 0.00 40.66 42.03 3k5m h LEU 740 CO 0.64 0.91 -0.06 0.44 -0.34 0.00 0.00 178.44 180.03 3k5m h ASP 741 N 0.83 0.00 -0.69 1.25 3.32 -1.90 -3.13 116.42 116.10 3k5m h ASP 741 Ca 0.17 0.00 -0.41 0.00 0.02 0.00 0.00 57.03 56.81 3k5m h ASP 741 Cb 0.39 0.00 -0.42 0.00 0.22 0.00 0.00 39.33 39.53 3k5m h ASP 741 CO 0.01 0.06 -0.96 -1.22 -1.72 0.00 0.00 179.24 175.41 3k5m n TYR 742 N -4.17 2.08 -2.08 4.55 4.01 -1.08 -5.09 117.16 115.38 3k5m n TYR 742 Ca -0.03 -2.29 -0.41 0.00 -0.16 0.00 0.00 57.90 55.01 3k5m n TYR 742 Cb 0.15 -0.28 -0.02 0.00 -0.31 0.00 0.00 39.34 38.88 3k5m n TYR 742 CO 0.00 0.00 0.00 -1.14 -0.46 0.00 0.00 176.86 175.26 3k5m s GLN 743 N -3.65 4.32 0.00 -0.72 0.74 -0.51 -4.69 119.66 115.14 3k5m s GLN 743 Ca 0.39 2.24 0.00 0.00 0.05 0.00 0.00 55.36 58.04 3k5m s GLN 743 Cb 0.38 -3.10 0.00 0.00 1.10 0.00 0.00 33.01 31.38 3k5m s GLN 743 CO -0.01 -0.30 0.00 0.54 -0.55 0.00 0.00 175.29 174.97 3k5m n ARG 744 N 1.68 0.63 -4.34 1.67 1.74 -1.26 -5.08 116.66 111.69 3k5m n ARG 744 Ca 0.04 0.00 -0.24 0.00 -0.77 0.00 0.00 57.85 56.88 3k5m n ARG 744 Cb 0.41 -0.98 -0.09 0.00 -1.02 0.00 0.00 32.46 30.79 3k5m n ARG 744 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 3k5m s SER 745 N -2.02 4.20 0.52 0.55 0.01 -1.26 -5.11 113.70 110.60 3k5m s SER 745 Ca 0.00 -0.74 -0.22 0.00 1.31 0.00 0.00 55.95 56.30 3k5m s SER 745 Cb 0.00 -0.66 -0.06 0.00 0.21 0.00 0.00 66.02 65.52 3k5m s SER 745 CO 0.00 0.04 1.25 -2.84 0.41 0.00 0.00 173.24 172.10 3k5m s PRO 746 N -3.43 3.34 0.42 12.44 0.02 -1.26 -4.80 135.00 141.72 3k5m s PRO 746 Ca 0.29 1.97 -0.25 0.00 0.02 0.00 0.00 61.00 63.03 3k5m s PRO 746 Cb -0.07 -2.24 -0.08 0.00 0.02 0.00 0.00 34.50 32.13 3k5m s PRO 746 CO 0.17 -0.95 1.29 -0.51 -0.33 0.00 0.00 177.00 176.67 3k5m s LEU 747 N -3.46 4.18 -0.64 -5.54 1.43 -1.26 -1.02 118.68 112.36 3k5m s LEU 747 Ca 0.70 2.61 -0.16 0.00 -1.03 0.00 0.00 54.13 56.26 3k5m s LEU 747 Cb -0.34 -3.96 0.15 0.00 0.03 0.00 0.00 46.19 42.08 3k5m s LEU 747 CO 0.40 -0.88 0.62 -0.62 0.23 0.00 0.00 176.35 176.09 3k5m s ASP 748 N -0.82 6.38 0.35 2.29 -1.08 -0.65 -4.58 116.67 118.56 3k5m s ASP 748 Ca 0.58 -2.04 0.10 0.00 -0.52 0.00 0.00 52.55 50.68 3k5m s ASP 748 Cb -0.37 -2.22 0.63 0.00 -1.46 0.00 0.00 42.92 39.50 3k5m s ASP 748 CO 0.47 -0.80 1.79 1.88 0.52 0.00 0.00 175.17 179.03 3k5m h TYR 749 N 8.58 0.12 -0.12 -5.34 0.05 -1.92 -2.26 116.97 116.07 3k5m h TYR 749 Ca -0.16 -0.03 -0.06 0.00 0.05 0.00 0.00 58.73 58.53 3k5m h TYR 749 Cb 1.08 -0.03 -0.01 0.00 1.01 0.00 0.00 36.73 38.78 3k5m h TYR 749 CO 0.85 0.45 -0.20 1.49 -1.05 0.00 0.00 178.16 179.70 3k5m h GLU 750 N 0.09 0.20 -0.32 4.88 4.57 -1.97 -0.02 114.58 122.01 3k5m h GLU 750 Ca 0.01 -0.06 -0.04 0.00 -1.18 0.00 0.00 59.36 58.10 3k5m h GLU 750 Cb 0.68 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.24 3k5m h GLU 750 CO 0.05 0.40 0.05 1.25 -1.18 0.00 0.00 179.01 179.59 3k5m h HIS 751 N 0.19 0.56 -0.29 0.92 2.76 -1.80 -1.39 115.15 116.10 3k5m h HIS 751 Ca 0.03 -0.08 -0.10 0.00 -2.20 0.00 0.00 60.37 58.03 3k5m h HIS 751 Cb 0.47 -0.15 -0.01 0.00 1.55 0.00 0.00 27.41 29.26 3k5m h HIS 751 CO 0.01 0.61 -0.24 1.88 -1.30 0.00 0.00 177.93 178.88 3k5m h TYR 752 N 0.35 0.63 0.25 5.26 0.05 -1.41 0.10 116.97 122.20 3k5m h TYR 752 Ca 0.10 -0.13 -0.01 0.00 0.05 0.00 0.00 58.73 58.73 3k5m h TYR 752 Cb 0.35 -0.15 0.00 0.00 1.01 0.00 0.00 36.73 37.94 3k5m h TYR 752 CO 0.02 0.75 -0.12 1.25 -1.05 0.00 0.00 178.16 179.02 3k5m h LEU 753 N 0.49 -0.28 -0.43 3.88 5.85 -0.84 -0.45 115.31 123.53 3k5m h LEU 753 Ca 0.07 -0.12 -0.17 0.00 0.84 0.00 0.00 57.88 58.50 3k5m h LEU 753 Cb 0.68 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.77 3k5m h LEU 753 CO 0.05 -0.05 -0.77 0.71 -0.34 0.00 0.00 178.44 178.04 3k5m h THR 754 N -0.52 1.47 0.00 1.05 1.35 -1.24 -1.58 112.91 113.44 3k5m h THR 754 Ca -0.03 -2.42 0.00 0.00 -0.55 0.00 0.00 66.41 63.41 3k5m h THR 754 Cb 0.39 2.31 0.00 0.00 -1.73 0.00 0.00 68.15 69.12 3k5m h THR 754 CO 0.06 0.70 -1.12 0.54 -0.25 0.00 0.00 175.52 175.45 3k5m n ARG 755 N -3.72 0.95 0.03 4.72 5.12 0.35 -4.40 116.66 119.70 3k5m n ARG 755 Ca -0.03 -0.05 -0.01 0.00 -1.93 0.00 0.00 57.85 55.84 3k5m n ARG 755 Cb 0.74 -1.37 -0.00 0.00 -1.16 0.00 0.00 32.46 30.66 3k5m n ARG 755 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 3k5m n GLN 756 N -1.62 0.04 -0.16 5.56 1.13 -0.29 -4.74 117.38 117.30 3k5m n GLN 756 Ca 0.02 0.02 -0.10 0.00 -1.94 0.00 0.00 57.00 54.99 3k5m n GLN 756 Cb 0.33 -0.45 -0.00 0.00 0.11 0.00 0.00 30.24 30.23 3k5m n GLN 756 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 3k5m h LEU 757 N -0.08 0.79 -0.17 1.08 3.38 -1.24 -3.28 115.31 115.79 3k5m h LEU 757 Ca 0.00 -0.30 -0.00 0.00 0.09 0.00 0.00 57.88 57.67 3k5m h LEU 757 Cb 0.08 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 3k5m h LEU 757 CO 0.00 0.89 0.10 1.56 0.09 0.00 0.00 178.44 181.08 3k5m h GLN 758 N 0.66 0.24 -0.26 1.13 1.08 -1.51 -2.45 115.11 114.00 3k5m h GLN 758 Ca 0.13 -0.03 -0.01 0.00 -1.45 0.00 0.00 58.65 57.29 3k5m h GLN 758 Cb 0.48 -0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 27.84 3k5m h GLN 758 CO 0.02 0.24 0.10 -1.35 -0.95 0.00 0.00 178.83 176.88 3k5m h PRO 759 N 0.18 0.36 -0.47 1.46 0.11 -1.77 -1.21 132.00 130.67 3k5m h PRO 759 Ca 0.06 -0.04 -0.10 0.00 0.11 0.00 0.00 66.00 66.04 3k5m h PRO 759 Cb 0.06 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.09 3k5m h PRO 759 CO -0.01 0.31 -0.08 0.28 -0.21 0.00 0.00 178.00 178.29 3k5m h VAL 760 N 0.36 1.27 -0.50 3.15 2.07 -1.56 -2.77 116.25 118.28 3k5m h VAL 760 Ca 0.09 -1.19 -0.04 0.00 0.82 0.00 0.00 66.70 66.38 3k5m h VAL 760 Cb 0.09 1.09 -0.02 0.00 -1.52 0.00 0.00 31.29 30.93 3k5m h VAL 760 CO -0.01 0.41 0.15 0.00 0.02 0.00 0.00 177.57 178.14 3k5m h ALA 761 N 0.89 0.66 -0.00 1.67 0.00 -0.91 -2.57 119.26 118.99 3k5m h ALA 761 Ca 0.12 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3k5m h ALA 761 Cb 0.62 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 3k5m h ALA 761 CO 0.04 0.32 0.00 1.05 0.00 0.00 0.00 179.25 180.67 3k5m h GLU 762 N 0.68 0.00 0.00 0.00 4.11 -1.22 0.16 114.58 118.30 3k5m h GLU 762 Ca 0.16 0.00 -0.09 0.00 0.07 0.00 0.00 59.36 59.50 3k5m h GLU 762 Cb 0.29 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 3k5m h GLU 762 CO -0.00 0.00 -0.41 0.78 0.07 0.00 0.00 179.01 179.45 3k5m h GLY 763 N 0.00 0.00 0.00 1.06 0.00 -1.16 -3.40 103.07 99.57 3k5m h GLY 763 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3k5m h GLY 763 CO -0.00 0.00 -0.83 4.51 0.00 0.00 0.00 176.54 180.22 3k5m n ILE 764 N -3.87 0.00 -0.16 2.60 3.06 -0.77 -4.77 119.36 115.44 3k5m n ILE 764 Ca -0.01 0.00 0.04 0.00 -2.50 0.00 0.00 62.75 60.27 3k5m n ILE 764 Cb 0.46 -0.56 0.32 0.00 0.54 0.00 0.00 39.64 40.40 3k5m n ILE 764 CO 0.00 0.00 0.00 -0.07 -2.50 0.00 0.00 176.55 173.98 3k5m h LEU 765 N 0.00 0.71 -1.52 9.51 3.38 -0.93 -2.38 115.31 124.08 3k5m h LEU 765 Ca 0.00 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3k5m h LEU 765 Cb 0.83 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.41 3k5m h LEU 765 CO 0.00 0.49 0.00 -0.65 0.09 0.00 0.00 178.44 178.37 3k5m h PRO 766 N 0.83 0.00 0.00 1.13 0.11 -1.77 -0.92 132.00 131.38 3k5m h PRO 766 Ca 0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.38 3k5m h PRO 766 Cb 0.04 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.15 3k5m h PRO 766 CO -0.07 0.00 0.00 1.19 -0.21 0.00 0.00 178.00 178.91 3k5m n PHE 767 N -2.44 0.00 -1.14 0.65 3.72 -0.89 -2.52 117.46 114.83 3k5m n PHE 767 Ca -0.01 0.00 0.09 0.00 -0.05 0.00 0.00 57.45 57.49 3k5m n PHE 767 Cb 0.10 -0.50 0.15 0.00 -0.94 0.00 0.00 39.48 38.29 3k5m n PHE 767 CO 0.00 0.00 0.00 0.44 -0.05 0.00 0.00 176.76 177.15 3k5m n ILE 768 N -1.50 1.94 -3.77 4.37 -5.35 -0.43 -4.88 119.36 109.75 3k5m n ILE 768 Ca 0.07 -2.40 -0.26 0.00 -0.27 0.00 0.00 62.75 59.88 3k5m n ILE 768 Cb 0.34 -0.24 0.02 0.00 -1.74 0.00 0.00 39.64 38.02 3k5m n ILE 768 CO 0.00 0.00 0.00 -1.84 -1.76 0.00 0.00 176.55 172.95 3k5m n GLU 769 N -1.38 -2.87 0.00 6.28 0.28 -1.05 -5.10 120.64 116.80 3k5m n GLU 769 Ca 0.17 0.49 0.00 0.00 -0.16 0.00 0.00 57.16 57.66 3k5m n GLU 769 Cb 0.65 -4.57 0.00 0.00 1.43 0.00 0.00 31.44 28.95 3k5m n GLU 769 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50