#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k2g s LEU -1 N 0.00 4.35 0.41 1.04 1.43 -1.26 -5.07 118.68 119.58 3k2g s LEU -1 Ca 0.00 0.43 -0.26 0.00 -1.03 0.00 0.00 54.13 53.27 3k2g s LEU -1 Cb 0.00 -2.09 -0.10 0.00 0.03 0.00 0.00 46.19 44.03 3k2g s LEU -1 CO 0.00 0.36 1.22 -0.24 0.23 0.00 0.00 176.35 177.91 3k2g n SER 2 N 2.33 2.29 -0.02 2.29 2.88 -1.26 -4.92 113.62 117.21 3k2g n SER 2 Ca -0.19 1.11 0.03 0.00 -1.33 0.00 0.00 58.87 58.49 3k2g n SER 2 Cb 0.54 -1.46 0.04 0.00 -0.75 0.00 0.00 64.21 62.58 3k2g n SER 2 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 3k2g n GLU 3 N 0.14 2.51 -1.76 -1.46 1.02 -1.26 -5.06 120.64 114.78 3k2g n GLU 3 Ca 0.07 -1.78 -0.41 0.00 -0.02 0.00 0.00 57.16 55.02 3k2g n GLU 3 Cb 0.39 -1.13 -0.01 0.00 -0.02 0.00 0.00 31.44 30.67 3k2g n GLU 3 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3k2g n LEU 4 N -0.75 4.51 -4.75 -4.62 4.77 -1.03 -4.12 117.00 111.01 3k2g n LEU 4 Ca 0.04 1.17 -0.37 0.00 -0.03 0.00 0.00 56.01 56.82 3k2g n LEU 4 Cb 0.36 -1.61 0.04 0.00 -2.33 0.00 0.00 43.42 39.88 3k2g n LEU 4 CO 0.00 0.17 0.88 -0.55 -1.33 0.00 0.00 177.39 176.57 3k2g s SER 5 N 0.34 5.17 0.37 -1.43 0.15 0.51 -4.84 113.70 113.96 3k2g s SER 5 Ca 0.61 2.51 0.26 0.00 0.70 0.00 0.00 55.95 60.03 3k2g s SER 5 Cb -0.49 -2.61 1.31 0.00 -1.71 0.00 0.00 66.02 62.52 3k2g s SER 5 CO 0.53 -1.62 1.79 -0.65 1.20 0.00 0.00 173.24 174.49 3k2g h PRO 6 N 1.04 0.00 -0.98 5.44 0.11 -1.89 -2.12 132.00 133.59 3k2g h PRO 6 Ca -0.51 0.00 -0.57 0.00 0.11 0.00 0.00 66.00 65.03 3k2g h PRO 6 Cb 1.30 0.00 -0.41 0.00 0.11 0.00 0.00 31.00 32.00 3k2g h PRO 6 CO 0.56 0.00 -0.64 0.00 -0.21 0.00 0.00 178.00 177.71 3k2g s HIS 8 N -3.61 1.88 0.18 0.00 -3.43 -0.80 -4.66 115.29 104.85 3k2g s HIS 8 Ca 0.51 1.35 0.29 0.00 -0.80 0.00 0.00 55.06 56.41 3k2g s HIS 8 Cb 0.42 -3.18 1.57 0.00 -1.43 0.00 0.00 32.58 29.95 3k2g s HIS 8 CO -0.03 -2.93 1.87 -0.39 -2.00 0.00 0.00 174.74 171.26 3k2g h VAL 9 N -1.94 0.00 -0.52 -5.38 -1.51 -1.00 -0.12 116.25 105.78 3k2g h VAL 9 Ca -0.52 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 64.95 3k2g h VAL 9 Cb 1.30 0.64 0.00 0.00 -2.13 0.00 0.00 31.29 31.09 3k2g h VAL 9 CO 0.50 0.00 0.00 0.54 -1.23 0.00 0.00 177.57 177.38 3k2g n ARG 10 N -2.55 3.08 0.01 5.19 1.74 -1.26 -0.22 116.66 122.64 3k2g n ARG 10 Ca -0.02 -2.52 -0.10 0.00 -0.77 0.00 0.00 57.85 54.44 3k2g n ARG 10 Cb 0.11 -1.58 -0.14 0.00 -1.02 0.00 0.00 32.46 29.84 3k2g n ARG 10 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 3k2g h SER 11 N 3.12 0.07 0.00 0.55 4.64 -1.33 -3.48 113.55 117.11 3k2g h SER 11 Ca 0.00 -0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.21 3k2g h SER 11 Cb 1.07 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.14 3k2g h SER 11 CO 0.09 1.10 0.00 0.61 -0.87 0.00 0.00 176.83 177.76 3k2g n GLY 12 N 1.55 0.74 3.45 -0.77 0.00 -1.26 -5.02 105.19 103.89 3k2g n GLY 12 Ca -0.14 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.66 3k2g n GLY 12 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3k2g s ARG 13 N -0.43 1.61 0.00 1.61 0.52 -1.26 -1.35 118.95 119.66 3k2g s ARG 13 Ca 0.00 -1.84 0.00 0.00 -0.52 0.00 0.00 55.73 53.37 3k2g s ARG 13 Cb 0.00 -1.17 0.00 0.00 0.52 0.00 0.00 34.95 34.30 3k2g s ARG 13 CO 0.00 -0.00 0.00 -0.89 0.02 0.00 0.00 175.30 174.43 3k2g n ILE 14 N -0.64 0.00 -3.60 1.52 5.41 0.65 -4.62 119.36 118.08 3k2g n ILE 14 Ca -0.05 0.00 0.04 0.00 1.00 0.00 0.00 62.75 63.74 3k2g n ILE 14 Cb 0.64 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.57 3k2g n ILE 14 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 176.55 176.97 3k2g s THR 16 N 1.99 0.00 -0.06 1.39 -4.23 -0.27 -1.33 115.64 113.13 3k2g s THR 16 Ca 0.00 -0.03 0.27 0.00 -1.18 0.00 0.00 61.69 60.75 3k2g s THR 16 Cb 0.00 -2.08 0.27 0.00 1.34 0.00 0.00 72.50 72.04 3k2g s THR 16 CO 0.00 0.00 1.82 -0.37 -0.54 0.00 0.00 174.62 175.53 3k2g h VAL 17 N 2.00 0.00 -0.42 2.29 -1.51 -1.29 0.29 116.25 117.62 3k2g h VAL 17 Ca -0.32 -0.06 0.00 0.00 -1.23 0.00 0.00 66.70 65.09 3k2g h VAL 17 Cb 1.19 0.69 0.00 0.00 -2.13 0.00 0.00 31.29 31.04 3k2g h VAL 17 CO 0.30 0.00 0.00 0.47 -1.23 0.00 0.00 177.57 177.11 3k2g n ASP 18 N -2.45 3.89 0.00 4.19 8.00 -1.26 -4.76 116.55 124.16 3k2g n ASP 18 Ca -0.01 -2.51 0.00 0.00 0.71 0.00 0.00 54.79 52.98 3k2g n ASP 18 Cb 0.08 -0.46 0.00 0.00 -0.02 0.00 0.00 41.12 40.72 3k2g n ASP 18 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3k2g n GLY 19 N 0.36 -1.58 3.78 0.44 0.00 0.09 -5.04 105.19 103.23 3k2g n GLY 19 Ca 0.20 -2.21 -0.36 0.00 0.00 0.00 0.00 46.02 43.65 3k2g n GLY 19 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3k2g s PRO 20 N -0.79 3.68 0.01 1.61 0.02 -1.26 -1.12 135.00 137.16 3k2g s PRO 20 Ca 0.00 1.60 -0.04 0.00 0.02 0.00 0.00 61.00 62.58 3k2g s PRO 20 Cb 0.00 -2.22 -0.01 0.00 0.02 0.00 0.00 34.50 32.29 3k2g s PRO 20 CO 0.00 -0.58 0.06 0.96 -0.33 0.00 0.00 177.00 177.11 3k2g s ILE 21 N -1.72 0.10 0.42 2.83 -4.36 -0.44 -4.92 121.20 113.11 3k2g s ILE 21 Ca 0.67 -0.79 -0.25 0.00 -0.26 0.00 0.00 60.65 60.02 3k2g s ILE 21 Cb -0.24 -0.35 -0.08 0.00 1.25 0.00 0.00 42.46 43.04 3k2g s ILE 21 CO 0.28 -0.43 1.27 -2.16 0.24 0.00 0.00 174.94 174.14 3k2g s PRO 22 N -1.41 3.88 0.59 0.37 0.04 -1.26 -0.25 135.00 136.95 3k2g s PRO 22 Ca -0.15 2.07 0.29 0.00 0.04 0.00 0.00 61.00 63.24 3k2g s PRO 22 Cb -0.09 -2.66 1.66 0.00 0.04 0.00 0.00 34.50 33.45 3k2g s PRO 22 CO 0.00 -0.54 2.10 0.66 0.04 0.00 0.00 177.00 179.27 3k2g h SER 23 N 2.49 0.00 0.81 6.66 4.64 -1.49 0.21 113.55 126.86 3k2g h SER 23 Ca -0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 3k2g h SER 23 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 3k2g h SER 23 CO 0.62 0.00 0.00 0.77 -0.87 0.00 0.00 176.83 177.35 3k2g h SER 24 N 0.00 0.00 0.25 4.97 4.64 -1.89 -2.61 113.55 118.91 3k2g h SER 24 Ca 0.09 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 3k2g h SER 24 Cb 0.49 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.58 3k2g h SER 24 CO -0.00 0.00 -0.24 0.00 -0.87 0.00 0.00 176.83 175.72 3k2g n ALA 25 N -1.92 3.04 0.08 5.18 0.00 0.72 -4.20 120.51 123.41 3k2g n ALA 25 Ca 0.01 -0.39 -0.13 0.00 0.00 0.00 0.00 53.44 52.93 3k2g n ALA 25 Cb 0.25 -1.15 -0.08 0.00 0.00 0.00 0.00 19.45 18.47 3k2g n ALA 25 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3k2g h LEU 26 N 1.15 -0.10 0.00 0.00 5.85 -1.55 -3.48 115.31 117.18 3k2g h LEU 26 Ca 0.00 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.67 3k2g h LEU 26 Cb 0.49 0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.55 3k2g h LEU 26 CO 0.00 -0.01 0.00 0.61 -0.34 0.00 0.00 178.44 178.70 3k2g n GLY 27 N -0.97 0.61 3.61 3.75 0.00 -1.26 -3.78 105.19 107.14 3k2g n GLY 27 Ca -0.08 -0.79 -0.44 0.00 0.00 0.00 0.00 46.02 44.71 3k2g n GLY 27 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3k2g n HIS 28 N 0.00 2.09 -4.17 1.61 -0.00 -1.26 -4.43 115.22 109.05 3k2g n HIS 28 Ca 0.00 -0.15 -0.18 0.00 -0.00 0.00 0.00 57.72 57.40 3k2g n HIS 28 Cb 0.00 -2.73 -0.12 0.00 -0.00 0.00 0.00 29.99 27.14 3k2g n HIS 28 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.34 177.33 3k2g s THR 29 N 7.07 1.04 0.53 3.57 2.01 -1.26 -1.19 115.64 127.41 3k2g s THR 29 Ca 0.98 -1.25 0.06 0.00 0.31 0.00 0.00 61.69 61.79 3k2g s THR 29 Cb -0.43 -1.01 0.06 0.00 0.01 0.00 0.00 72.50 71.13 3k2g s THR 29 CO 0.39 -0.22 0.48 0.18 -0.69 0.00 0.00 174.62 174.76 3k2g n LEU 30 N 1.36 0.00 -3.98 4.42 4.77 -0.83 -4.86 117.00 117.87 3k2g n LEU 30 Ca -0.21 -2.63 -0.30 0.00 -0.03 0.00 0.00 56.01 52.83 3k2g n LEU 30 Cb 0.54 -0.13 -0.16 0.00 -2.33 0.00 0.00 43.42 41.34 3k2g n LEU 30 CO 0.21 -0.60 1.93 1.57 -1.33 0.00 0.00 177.39 179.17 3k2g n HIS 32 N -1.84 0.31 -3.89 -1.77 -0.00 -1.24 -0.89 115.22 105.90 3k2g n HIS 32 Ca 0.02 0.21 -0.11 0.00 -0.00 0.00 0.00 57.72 57.85 3k2g n HIS 32 Cb 0.59 -1.49 -0.10 0.00 -0.00 0.00 0.00 29.99 28.98 3k2g n HIS 32 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 3k2g s GLU 33 N 7.31 0.41 -0.19 1.57 0.41 -0.70 -1.88 118.70 125.64 3k2g s GLU 33 Ca 1.19 -0.37 -0.04 0.00 -0.41 0.00 0.00 54.97 55.34 3k2g s GLU 33 Cb -0.98 0.17 -0.02 0.00 -1.78 0.00 0.00 34.13 31.51 3k2g s GLU 33 CO 0.46 -0.09 -0.03 -1.01 -0.49 0.00 0.00 175.26 174.10 3k2g s HIS 34 N -1.21 2.99 -0.11 1.61 3.76 -0.87 -3.87 115.29 117.59 3k2g s HIS 34 Ca -0.13 -0.53 0.16 0.00 -0.15 0.00 0.00 55.06 54.41 3k2g s HIS 34 Cb -0.07 -2.03 -0.20 0.00 1.11 0.00 0.00 32.58 31.38 3k2g s HIS 34 CO 0.01 -0.25 0.59 1.28 -0.85 0.00 0.00 174.74 175.52 3k2g n LEU 35 N 4.10 0.62 -3.70 0.89 4.77 -1.26 -4.69 117.00 117.73 3k2g n LEU 35 Ca -0.17 0.28 -0.13 0.00 -0.03 0.00 0.00 56.01 55.95 3k2g n LEU 35 Cb 0.52 0.19 -0.09 0.00 -2.33 0.00 0.00 43.42 41.71 3k2g n LEU 35 CO 0.31 0.29 0.19 -1.10 -1.33 0.00 0.00 177.39 175.75 3k2g s GLN 36 N -2.77 0.60 0.19 3.23 -1.52 -1.26 -4.82 119.66 113.32 3k2g s GLN 36 Ca -0.05 0.68 -0.22 0.00 -1.95 0.00 0.00 55.36 53.82 3k2g s GLN 36 Cb 0.08 0.29 0.08 0.00 -0.22 0.00 0.00 33.01 33.24 3k2g s GLN 36 CO 0.83 -0.08 1.03 0.54 -0.25 0.00 0.00 175.29 177.36 3k2g s ASN 37 N 0.21 0.01 -0.17 5.90 4.22 -0.51 -4.80 114.94 119.80 3k2g s ASN 37 Ca -0.00 -0.70 -0.05 0.00 -2.14 0.00 0.00 52.86 49.97 3k2g s ASN 37 Cb -0.04 0.52 0.07 0.00 1.28 0.00 0.00 41.25 43.08 3k2g s ASN 37 CO 0.01 -1.03 0.13 -0.62 -2.04 0.00 0.00 177.10 173.55 3k2g s ASP 38 N -3.41 1.96 -0.18 3.54 2.15 0.02 -2.34 116.67 118.41 3k2g s ASP 38 Ca 0.22 -0.44 0.16 0.00 0.43 0.00 0.00 52.55 52.92 3k2g s ASP 38 Cb -0.03 -0.04 0.41 0.00 -0.30 0.00 0.00 42.92 42.96 3k2g s ASP 38 CO 0.06 -0.34 1.28 0.00 -0.17 0.00 0.00 175.17 176.01 3k2g h ARG 40 N 0.80 0.00 0.00 0.00 3.08 -1.92 -1.10 114.38 115.24 3k2g h ARG 40 Ca 0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.08 3k2g h ARG 40 Cb 1.23 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.28 3k2g h ARG 40 CO 0.12 0.00 0.00 0.00 -1.07 0.00 0.00 179.97 179.02 3k2g n TRP 42 N -0.66 0.01 -1.73 0.00 8.01 -0.42 -5.01 117.44 117.64 3k2g n TRP 42 Ca 0.06 -0.67 -0.42 0.00 -1.31 0.00 0.00 57.50 55.15 3k2g n TRP 42 Cb 0.03 -0.08 -0.02 0.00 -2.01 0.00 0.00 31.31 29.23 3k2g n TRP 42 CO 0.00 0.00 0.00 1.87 -1.01 0.00 0.00 177.69 178.55 3k2g n TRP 43 N -0.81 2.66 -3.66 -5.99 -0.00 -1.05 -4.85 117.44 103.75 3k2g n TRP 43 Ca 0.06 0.32 -0.37 0.00 -0.00 0.00 0.00 57.50 57.51 3k2g n TRP 43 Cb 0.39 -2.55 -0.08 0.00 -0.00 0.00 0.00 31.31 29.07 3k2g n TRP 43 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 177.69 178.90 3k2g s ASN 44 N 0.38 5.71 0.10 5.87 2.47 0.29 -5.00 114.94 124.74 3k2g s ASN 44 Ca 0.64 -3.34 -0.36 0.00 0.42 0.00 0.00 52.86 50.22 3k2g s ASN 44 Cb -0.54 -1.90 -0.15 0.00 -1.45 0.00 0.00 41.25 37.22 3k2g s ASN 44 CO 0.50 -0.27 1.48 -0.81 -3.72 0.00 0.00 177.10 174.28 3k2g n PRO 45 N 2.85 1.63 -2.22 0.43 -0.04 -1.26 -4.18 135.00 132.20 3k2g n PRO 45 Ca 0.16 0.59 -0.43 0.00 -0.04 0.00 0.00 63.50 63.78 3k2g n PRO 45 Cb 0.38 -2.30 -0.02 0.00 -0.04 0.00 0.00 33.50 31.52 3k2g n PRO 45 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 3k2g s PRO 46 N 0.94 3.51 0.17 0.54 0.04 -1.26 -4.88 135.00 134.05 3k2g s PRO 46 Ca 0.83 1.14 -0.12 0.00 0.04 0.00 0.00 61.00 62.89 3k2g s PRO 46 Cb -0.83 -4.08 0.06 0.00 0.04 0.00 0.00 34.50 29.69 3k2g s PRO 46 CO 0.44 -1.64 1.68 -0.56 0.04 0.00 0.00 177.00 176.95 3k2g h GLN 47 N 11.41 0.91 -6.27 4.56 3.07 -1.95 -3.40 115.11 123.43 3k2g h GLN 47 Ca -0.30 -0.21 -0.57 0.00 0.09 0.00 0.00 58.65 57.66 3k2g h GLN 47 Cb 1.13 -0.12 -0.02 0.00 0.08 0.00 0.00 27.48 28.55 3k2g h GLN 47 CO 1.06 0.84 1.17 -1.21 0.09 0.00 0.00 178.83 180.78 3k2g s GLU 48 N -5.32 3.74 0.59 0.06 8.01 -1.26 -4.84 118.70 119.68 3k2g s GLU 48 Ca -0.13 1.72 0.29 0.00 0.01 0.00 0.00 54.97 56.86 3k2g s GLU 48 Cb 0.13 -4.08 1.56 0.00 -4.31 0.00 0.00 34.13 27.42 3k2g s GLU 48 CO 0.81 -1.37 1.98 -1.35 0.01 0.00 0.00 175.26 175.34 3k2g h PRO 49 N 11.16 0.00 0.00 0.39 0.11 -2.02 -0.22 132.00 141.42 3k2g h PRO 49 Ca -0.35 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.72 3k2g h PRO 49 Cb 1.16 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 3k2g h PRO 49 CO 1.00 0.00 -0.20 1.05 -0.21 0.00 0.00 178.00 179.64 3k2g h GLU 50 N 0.00 0.00 -0.59 1.05 4.11 -1.92 -1.68 114.58 115.54 3k2g h GLU 50 Ca 0.15 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.58 3k2g h GLU 50 Cb 0.88 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.13 3k2g h GLU 50 CO -0.00 0.20 0.00 0.54 0.07 0.00 0.00 179.01 179.82 3k2g n ARG 51 N -4.07 2.68 -0.29 1.06 1.74 -0.09 -4.36 116.66 113.32 3k2g n ARG 51 Ca -0.02 -2.10 0.00 0.00 -0.77 0.00 0.00 57.85 54.96 3k2g n ARG 51 Cb 0.27 -1.58 0.20 0.00 -1.02 0.00 0.00 32.46 30.33 3k2g n ARG 51 CO 0.00 0.00 0.00 0.37 -1.52 0.00 0.00 177.63 176.48 3k2g h GLN 52 N 3.23 1.11 -0.38 5.56 5.75 -1.35 -2.41 115.11 126.62 3k2g h GLN 52 Ca 0.00 -0.07 0.04 0.00 -0.15 0.00 0.00 58.65 58.47 3k2g h GLN 52 Cb 0.95 -0.25 -0.02 0.00 1.07 0.00 0.00 27.48 29.23 3k2g h GLN 52 CO 0.08 0.74 0.25 0.10 -2.65 0.00 0.00 178.83 177.35 3k2g h TYR 53 N 1.15 0.33 0.00 3.99 -0.00 -1.80 -1.67 116.97 118.97 3k2g h TYR 53 Ca 0.32 0.01 -0.05 0.00 0.00 0.00 0.00 58.73 59.01 3k2g h TYR 53 Cb -0.09 -0.11 -0.01 0.00 0.00 0.00 0.00 36.73 36.52 3k2g h TYR 53 CO -0.00 0.19 -0.25 -0.07 -0.00 0.00 0.00 178.16 178.03 3k2g h LEU 54 N 0.34 0.00 -0.14 0.10 3.38 -1.76 -1.18 115.31 116.06 3k2g h LEU 54 Ca 0.16 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.89 3k2g h LEU 54 Cb 0.21 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.97 3k2g h LEU 54 CO -0.04 0.25 -0.90 0.00 0.09 0.00 0.00 178.44 177.84 3k2g h ALA 55 N 1.75 0.29 0.00 1.53 0.00 -1.36 -3.34 119.26 118.13 3k2g h ALA 55 Ca -0.00 -0.66 -0.21 0.00 0.00 0.00 0.00 54.91 54.04 3k2g h ALA 55 Cb 0.69 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.45 3k2g h ALA 55 CO 0.03 0.72 -1.99 -1.91 0.00 0.00 0.00 179.25 176.10 3k2g n GLU 56 N -3.86 0.66 -1.84 0.00 4.07 -1.19 -2.22 120.64 116.27 3k2g n GLU 56 Ca -0.08 0.01 -0.36 0.00 -0.06 0.00 0.00 57.16 56.67 3k2g n GLU 56 Cb 0.81 -1.61 0.05 0.00 -0.06 0.00 0.00 31.44 30.64 3k2g n GLU 56 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3k2g s ALA 57 N -2.90 2.43 0.72 4.31 0.00 -0.45 -4.86 121.76 121.00 3k2g s ALA 57 Ca -0.07 1.05 -0.11 0.00 0.00 0.00 0.00 51.96 52.82 3k2g s ALA 57 Cb 0.09 -3.49 0.02 0.00 0.00 0.00 0.00 23.12 19.74 3k2g s ALA 57 CO 0.85 -1.41 1.10 -1.25 0.00 0.00 0.00 175.76 175.05 3k2g s PRO 58 N -3.44 2.77 -0.08 0.00 0.04 -1.26 -4.58 135.00 128.45 3k2g s PRO 58 Ca 0.79 0.45 -0.30 0.00 0.04 0.00 0.00 61.00 61.98 3k2g s PRO 58 Cb -0.32 -2.01 -0.03 0.00 0.04 0.00 0.00 34.50 32.17 3k2g s PRO 58 CO 0.37 -1.09 1.30 0.42 0.04 0.00 0.00 177.00 178.03 3k2g s ILE 59 N -3.36 4.09 0.03 0.56 1.01 -1.26 -5.00 121.20 117.27 3k2g s ILE 59 Ca 0.58 1.40 0.00 0.00 0.00 0.00 0.00 60.65 62.64 3k2g s ILE 59 Cb -0.11 -3.90 -0.02 0.00 0.01 0.00 0.00 42.46 38.43 3k2g s ILE 59 CO 0.52 -0.05 -0.04 -0.94 0.00 0.00 0.00 174.94 174.43 3k2g s SER 60 N 1.85 0.39 0.50 3.58 1.04 -1.26 -5.04 113.70 114.76 3k2g s SER 60 Ca 0.58 -0.59 0.29 0.00 0.48 0.00 0.00 55.95 56.72 3k2g s SER 60 Cb -0.26 0.10 1.40 0.00 0.10 0.00 0.00 66.02 67.36 3k2g s SER 60 CO 0.21 -0.33 1.84 -0.29 0.98 0.00 0.00 173.24 175.66 3k2g h ILE 61 N 4.38 0.52 0.00 -1.02 2.10 -1.94 -1.43 117.51 120.12 3k2g h ILE 61 Ca -0.33 -0.04 0.00 0.00 1.08 0.00 0.00 64.86 65.57 3k2g h ILE 61 Cb 1.20 0.40 0.00 0.00 -1.09 0.00 0.00 36.82 37.33 3k2g h ILE 61 CO 0.45 0.02 0.00 -0.33 -1.08 0.00 0.00 178.15 177.21 3k2g h GLU 62 N 0.11 0.00 -0.04 2.19 3.07 -1.99 -3.18 114.58 114.74 3k2g h GLU 62 Ca 0.49 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.35 3k2g h GLU 62 Cb 1.76 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.67 3k2g h GLU 62 CO -0.07 0.00 0.00 0.44 -1.40 0.00 0.00 179.01 177.98 3k2g n ILE 63 N -3.07 1.38 -0.20 3.13 -5.35 -0.54 -4.76 119.36 109.94 3k2g n ILE 63 Ca -0.01 -1.49 -0.01 0.00 -0.27 0.00 0.00 62.75 60.97 3k2g n ILE 63 Cb 0.22 0.20 0.22 0.00 -1.74 0.00 0.00 39.64 38.53 3k2g n ILE 63 CO 0.00 0.00 0.00 -0.07 -1.76 0.00 0.00 176.55 174.72 3k2g h LEU 64 N 0.25 0.86 0.16 7.28 3.38 -1.58 -1.89 115.31 123.76 3k2g h LEU 64 Ca 0.00 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.91 3k2g h LEU 64 Cb 0.74 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 3k2g h LEU 64 CO 0.01 0.68 -0.13 -1.28 0.09 0.00 0.00 178.44 177.82 3k2g h SER 65 N 0.98 -0.33 -0.80 -0.43 0.87 -1.86 -0.63 113.55 111.36 3k2g h SER 65 Ca 0.25 0.03 0.02 0.00 -1.23 0.00 0.00 61.79 60.86 3k2g h SER 65 Cb 0.00 0.11 -0.05 0.00 -0.44 0.00 0.00 62.40 62.02 3k2g h SER 65 CO -0.04 -0.20 0.52 -0.33 -0.53 0.00 0.00 176.83 176.24 3k2g h GLU 66 N -0.30 0.99 -0.85 2.24 4.39 -1.86 -2.55 114.58 116.64 3k2g h GLU 66 Ca -0.00 -0.06 -0.02 0.00 0.34 0.00 0.00 59.36 59.62 3k2g h GLU 66 Cb 0.27 -0.22 -0.04 0.00 -0.10 0.00 0.00 28.75 28.65 3k2g h GLU 66 CO -0.01 0.66 0.47 -0.07 -1.16 0.00 0.00 179.01 178.89 3k2g h LEU 67 N 1.02 1.06 -2.79 1.33 3.38 -1.01 -2.01 115.31 116.28 3k2g h LEU 67 Ca 0.31 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 58.18 3k2g h LEU 67 Cb -0.04 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.44 3k2g h LEU 67 CO -0.10 0.85 -0.00 0.03 0.09 0.00 0.00 178.44 179.31 3k2g h ARG 68 N 1.18 0.00 -0.01 1.13 3.08 -0.69 0.76 114.38 119.84 3k2g h ARG 68 Ca 0.30 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.35 3k2g h ARG 68 Cb 0.03 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.08 3k2g h ARG 68 CO -0.05 0.00 -0.36 1.04 -1.07 0.00 0.00 179.97 179.54 3k2g n GLN 69 N -3.24 0.67 -2.69 0.04 1.13 -0.76 -1.84 117.38 110.68 3k2g n GLN 69 Ca -0.03 -0.42 -0.05 0.00 -1.94 0.00 0.00 57.00 54.56 3k2g n GLN 69 Cb 0.09 -1.49 0.06 0.00 0.11 0.00 0.00 30.24 29.01 3k2g n GLN 69 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 3k2g n ASP 70 N -0.80 -1.89 -0.34 1.08 2.03 -0.33 -3.78 116.55 112.53 3k2g n ASP 70 Ca 0.10 -2.13 0.14 0.00 0.52 0.00 0.00 54.79 53.43 3k2g n ASP 70 Cb 0.36 1.08 0.35 0.00 -0.72 0.00 0.00 41.12 42.18 3k2g n ASP 70 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 3k2g h PRO 71 N 3.66 0.69 0.00 -0.67 0.11 -1.13 -1.94 132.00 132.72 3k2g h PRO 71 Ca -0.16 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.91 3k2g h PRO 71 Cb 1.15 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.10 3k2g h PRO 71 CO -0.03 0.45 0.00 1.19 -0.21 0.00 0.00 178.00 179.40 3k2g n PHE 72 N -4.74 0.00 0.10 0.65 3.72 -1.26 -3.31 117.46 112.62 3k2g n PHE 72 Ca 0.23 0.00 -0.01 0.00 -0.05 0.00 0.00 57.45 57.62 3k2g n PHE 72 Cb 0.61 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 39.11 3k2g n PHE 72 CO 0.00 0.00 0.00 -0.24 -0.05 0.00 0.00 176.76 176.47 3k2g h VAL 73 N 0.00 1.15 -3.64 -4.37 3.04 -1.51 0.82 116.25 111.75 3k2g h VAL 73 Ca 0.00 -2.65 -0.63 0.00 -1.01 0.00 0.00 66.70 62.41 3k2g h VAL 73 Cb 0.00 2.56 -0.14 0.00 -2.01 0.00 0.00 31.29 31.70 3k2g h VAL 73 CO 0.00 0.66 -0.10 0.21 -1.01 0.00 0.00 177.57 177.33 3k2g s ASN 74 N -6.51 6.34 0.25 3.17 2.47 -1.21 -3.67 114.94 115.79 3k2g s ASN 74 Ca 0.02 0.31 -0.03 0.00 0.42 0.00 0.00 52.86 53.58 3k2g s ASN 74 Cb 0.08 -2.25 0.31 0.00 -1.45 0.00 0.00 41.25 37.94 3k2g s ASN 74 CO 0.78 -0.30 1.78 0.11 -3.72 0.00 0.00 177.10 175.74 3k2g h LYS 75 N 8.18 0.90 0.00 0.43 1.57 -1.69 -2.75 116.57 123.22 3k2g h LYS 75 Ca -0.29 -0.21 -0.04 0.00 -1.87 0.00 0.00 60.65 58.23 3k2g h LYS 75 Cb 1.14 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 33.32 3k2g h LYS 75 CO 0.70 0.83 -0.21 1.25 -0.57 0.00 0.00 179.45 181.45 3k2g h HIS 76 N 0.86 0.00 0.06 -1.35 2.76 -1.81 -3.18 115.15 112.49 3k2g h HIS 76 Ca 0.18 0.00 -0.27 0.00 -2.20 0.00 0.00 60.37 58.08 3k2g h HIS 76 Cb 0.36 0.00 0.02 0.00 1.55 0.00 0.00 27.41 29.34 3k2g h HIS 76 CO 0.02 0.21 -1.12 -0.97 -1.30 0.00 0.00 177.93 174.78 3k2g h ASN 77 N 0.00 0.77 -0.03 3.26 -1.24 -1.83 -3.39 115.58 113.11 3k2g h ASN 77 Ca -0.00 -0.67 -0.22 0.00 0.71 0.00 0.00 56.30 56.12 3k2g h ASN 77 Cb 0.50 -0.24 -0.07 0.00 0.73 0.00 0.00 38.32 39.24 3k2g h ASN 77 CO 0.03 1.48 -0.18 2.30 -1.29 0.00 0.00 177.43 179.77 3k2g n ILE 78 N -3.77 3.07 -3.25 2.57 -5.35 -1.18 -1.49 119.36 109.95 3k2g n ILE 78 Ca -0.11 -1.59 0.03 0.00 -0.27 0.00 0.00 62.75 60.81 3k2g n ILE 78 Cb 0.93 -2.02 -0.04 0.00 -1.74 0.00 0.00 39.64 36.77 3k2g n ILE 78 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3k2g s ALA 79 N 0.97 -3.11 -0.61 -1.28 0.00 -1.26 -1.95 121.76 114.53 3k2g s ALA 79 Ca 0.67 1.85 -0.18 0.00 0.00 0.00 0.00 51.96 54.30 3k2g s ALA 79 Cb 0.32 -2.23 0.11 0.00 0.00 0.00 0.00 23.12 21.32 3k2g s ALA 79 CO -0.01 -0.99 0.70 -0.51 0.00 0.00 0.00 175.76 174.95 3k2g s LEU 80 N 2.23 5.53 0.00 0.00 1.43 -0.99 -4.55 118.68 122.33 3k2g s LEU 80 Ca -0.01 -1.55 0.00 0.00 -1.03 0.00 0.00 54.13 51.54 3k2g s LEU 80 Cb -0.03 -2.29 0.00 0.00 0.03 0.00 0.00 46.19 43.90 3k2g s LEU 80 CO -0.16 -1.06 0.64 -0.90 0.23 0.00 0.00 176.35 175.09 3k2g n ASP 81 N 6.12 1.15 -4.29 2.29 5.68 -1.26 -1.42 116.55 124.82 3k2g n ASP 81 Ca -0.08 -1.39 -0.43 0.00 -0.50 0.00 0.00 54.79 52.39 3k2g n ASP 81 Cb 0.43 0.00 -0.07 0.00 -1.14 0.00 0.00 41.12 40.33 3k2g n ASP 81 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 3k2g s ASP 82 N -0.39 5.93 0.25 -1.12 -1.08 -1.26 -4.94 116.67 114.06 3k2g s ASP 82 Ca 0.00 -1.68 -0.05 0.00 -0.52 0.00 0.00 52.55 50.31 3k2g s ASP 82 Cb 0.00 -2.10 0.29 0.00 -1.46 0.00 0.00 42.92 39.65 3k2g s ASP 82 CO 0.00 -0.71 1.85 0.25 0.52 0.00 0.00 175.17 177.08 3k2g h LEU 83 N 8.64 1.00 -0.96 -1.34 5.85 -1.93 -1.77 115.31 124.80 3k2g h LEU 83 Ca -0.26 -0.12 -0.07 0.00 0.84 0.00 0.00 57.88 58.27 3k2g h LEU 83 Cb 1.09 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.85 3k2g h LEU 83 CO 0.90 0.85 -0.04 0.44 -0.34 0.00 0.00 178.44 180.25 3k2g h ASP 84 N 1.09 0.69 -0.34 1.25 3.32 -2.00 -1.27 116.42 119.16 3k2g h ASP 84 Ca 0.26 -0.17 -0.15 0.00 0.02 0.00 0.00 57.03 56.99 3k2g h ASP 84 Cb 0.13 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 39.49 3k2g h ASP 84 CO -0.03 0.78 -0.39 0.25 -1.72 0.00 0.00 179.24 178.13 3k2g h LEU 85 N 0.66 0.92 -0.43 1.55 5.85 -1.91 -2.03 115.31 119.93 3k2g h LEU 85 Ca 0.13 -0.48 0.05 0.00 0.84 0.00 0.00 57.88 58.41 3k2g h LEU 85 Cb 0.47 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 41.20 3k2g h LEU 85 CO 0.02 1.22 0.17 0.00 -0.34 0.00 0.00 178.44 179.52 3k2g h ALA 86 N 0.73 0.52 -0.66 1.25 0.00 -1.03 0.28 119.26 120.35 3k2g h ALA 86 Ca 0.05 0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.00 3k2g h ALA 86 Cb 0.98 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.73 3k2g h ALA 86 CO 0.09 -0.21 0.43 0.82 0.00 0.00 0.00 179.25 180.39 3k2g h ILE 87 N 0.36 1.17 -0.41 0.00 2.04 -1.09 0.13 117.51 119.70 3k2g h ILE 87 Ca 0.19 -0.31 -0.09 0.00 1.00 0.00 0.00 64.86 65.65 3k2g h ILE 87 Cb 0.15 0.21 -0.01 0.00 -0.74 0.00 0.00 36.82 36.43 3k2g h ILE 87 CO -0.17 0.16 -0.10 0.00 0.00 0.00 0.00 178.15 178.04 3k2g h ALA 88 N 1.24 0.57 -0.48 1.87 0.00 -0.66 -1.61 119.26 120.19 3k2g h ALA 88 Ca 0.24 -0.32 -0.07 0.00 0.00 0.00 0.00 54.91 54.75 3k2g h ALA 88 Cb -0.10 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 3k2g h ALA 88 CO -0.05 0.45 0.00 0.93 0.00 0.00 0.00 179.25 180.58 3k2g h GLU 89 N 0.62 0.79 -0.09 0.00 4.39 -0.15 -2.63 114.58 117.51 3k2g h GLU 89 Ca 0.10 -0.21 -0.14 0.00 0.34 0.00 0.00 59.36 59.45 3k2g h GLU 89 Cb 0.63 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.18 3k2g h GLU 89 CO 0.04 0.79 -0.58 0.28 -1.16 0.00 0.00 179.01 178.39 3k2g h VAL 90 N 0.74 1.37 0.00 3.13 2.07 -0.64 -2.78 116.25 120.13 3k2g h VAL 90 Ca 0.14 -1.91 -0.00 0.00 0.82 0.00 0.00 66.70 65.75 3k2g h VAL 90 Cb 0.45 1.94 -0.00 0.00 -1.52 0.00 0.00 31.29 32.15 3k2g h VAL 90 CO 0.02 0.57 -0.02 0.11 0.02 0.00 0.00 177.57 178.27 3k2g h LYS 91 N 0.22 0.00 -0.49 1.57 1.57 -0.91 -0.76 116.57 117.77 3k2g h LYS 91 Ca -0.00 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.67 3k2g h LYS 91 Cb 1.08 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.37 3k2g h LYS 91 CO 0.09 0.02 -0.13 1.96 -0.57 0.00 0.00 179.45 180.82 3k2g h GLN 92 N 0.00 0.92 -0.13 3.15 4.20 -1.42 0.19 115.11 122.02 3k2g h GLN 92 Ca -0.00 -0.34 -0.02 0.00 0.06 0.00 0.00 58.65 58.36 3k2g h GLN 92 Cb 0.05 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.77 3k2g h GLN 92 CO 0.00 0.99 0.02 0.35 -0.67 0.00 0.00 178.83 179.52 3k2g h PHE 93 N 0.82 0.24 -0.51 2.96 3.57 -1.25 -2.53 116.94 120.24 3k2g h PHE 93 Ca 0.13 -0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.57 3k2g h PHE 93 Cb 0.67 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 39.32 3k2g h PHE 93 CO 0.04 0.42 0.24 0.00 -2.23 0.00 0.00 178.31 176.78 3k2g h ALA 94 N 0.79 1.48 -0.06 2.41 0.00 -1.28 0.22 119.26 122.82 3k2g h ALA 94 Ca 0.04 -0.10 0.02 0.00 0.00 0.00 0.00 54.91 54.86 3k2g h ALA 94 Cb 0.31 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 3k2g h ALA 94 CO 0.00 0.42 0.06 0.00 0.00 0.00 0.00 179.25 179.73 3k2g h ALA 95 N 1.56 1.73 -0.47 0.00 0.00 -0.19 -1.52 119.26 120.36 3k2g h ALA 95 Ca 0.18 -0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.97 3k2g h ALA 95 Cb 0.07 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 17.80 3k2g h ALA 95 CO -0.02 -0.10 0.09 1.33 0.00 0.00 0.00 179.25 180.55 3k2g n VAL 96 N -4.00 2.61 0.00 0.00 0.24 -0.66 -4.92 118.33 111.60 3k2g n VAL 96 Ca -0.01 -1.95 0.00 0.00 -2.04 0.00 0.00 64.34 60.33 3k2g n VAL 96 Cb 0.16 -0.31 0.00 0.00 -1.47 0.00 0.00 33.84 32.22 3k2g n VAL 96 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3k2g n GLY 97 N -0.47 0.39 3.77 7.63 0.00 -0.57 -5.01 105.19 110.93 3k2g n GLY 97 Ca 0.32 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.92 3k2g n GLY 97 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3k2g s GLY 98 N -1.22 2.65 -0.00 -0.02 0.00 -0.02 -4.59 107.32 104.12 3k2g s GLY 98 Ca 0.00 1.51 0.00 0.00 0.00 0.00 0.00 44.72 46.23 3k2g s GLY 98 CO 0.00 2.30 -0.00 0.54 0.00 0.00 0.00 173.10 175.94 3k2g n ARG 99 N 1.19 1.68 -4.03 2.90 1.74 -0.33 -4.26 116.66 115.55 3k2g n ARG 99 Ca 0.03 0.00 -0.11 0.00 -0.77 0.00 0.00 57.85 57.00 3k2g n ARG 99 Cb 0.39 -1.00 -0.11 0.00 -1.02 0.00 0.00 32.46 30.71 3k2g n ARG 99 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 3k2g s SER 100 N -3.60 0.61 -0.03 0.55 0.01 -1.01 -0.70 113.70 109.53 3k2g s SER 100 Ca -0.00 -0.56 0.02 0.00 1.31 0.00 0.00 55.95 56.72 3k2g s SER 100 Cb 0.00 0.07 0.01 0.00 0.21 0.00 0.00 66.02 66.31 3k2g s SER 100 CO 0.01 -0.26 -0.07 -0.63 0.41 0.00 0.00 173.24 172.70 3k2g s ILE 101 N -1.56 0.63 -0.31 1.44 1.01 0.61 -1.96 121.20 121.06 3k2g s ILE 101 Ca -0.11 -0.26 -0.10 0.00 0.00 0.00 0.00 60.65 60.18 3k2g s ILE 101 Cb -0.09 -0.58 -0.02 0.00 0.01 0.00 0.00 42.46 41.78 3k2g s ILE 101 CO -0.01 0.21 0.16 -0.69 0.00 0.00 0.00 174.94 174.62 3k2g s VAL 102 N 0.34 4.77 -0.42 2.92 1.01 -0.07 -1.36 120.40 127.60 3k2g s VAL 102 Ca -0.05 -0.29 -0.10 0.00 0.00 0.00 0.00 61.98 61.54 3k2g s VAL 102 Cb -0.09 -3.40 0.07 0.00 0.00 0.00 0.00 36.38 32.96 3k2g s VAL 102 CO 0.00 0.10 0.26 -0.62 0.00 0.00 0.00 175.10 174.85 3k2g s ASP 103 N 1.65 5.69 -0.05 3.32 -1.08 -0.16 -1.72 116.67 124.32 3k2g s ASP 103 Ca 0.05 -1.42 0.04 0.00 -0.52 0.00 0.00 52.55 50.71 3k2g s ASP 103 Cb -0.17 -2.01 0.21 0.00 -1.46 0.00 0.00 42.92 39.50 3k2g s ASP 103 CO 0.07 -0.53 0.92 -0.81 0.52 0.00 0.00 175.17 175.35 3k2g n PRO 104 N 4.95 1.91 -1.85 4.34 -0.04 -1.25 -1.98 135.00 141.07 3k2g n PRO 104 Ca -0.10 -0.83 -0.42 0.00 -0.04 0.00 0.00 63.50 62.11 3k2g n PRO 104 Cb 0.43 -1.57 -0.03 0.00 -0.04 0.00 0.00 33.50 32.30 3k2g n PRO 104 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 3k2g s THR 105 N -1.55 3.22 0.00 0.52 2.01 -1.26 -4.25 115.64 114.34 3k2g s THR 105 Ca 0.15 0.38 0.00 0.00 0.31 0.00 0.00 61.69 62.53 3k2g s THR 105 Cb 0.10 -3.25 0.00 0.00 0.01 0.00 0.00 72.50 69.37 3k2g s THR 105 CO 0.06 -0.03 0.00 0.00 -0.69 0.00 0.00 174.62 173.96 3k2g s ARG 107 N 0.99 4.23 0.00 0.00 0.52 -0.73 -2.46 118.95 121.49 3k2g s ARG 107 Ca 0.00 2.29 0.00 0.00 -0.52 0.00 0.00 55.73 57.50 3k2g s ARG 107 Cb 0.00 -3.36 0.00 0.00 0.52 0.00 0.00 34.95 32.11 3k2g s ARG 107 CO 0.00 -0.63 0.00 0.41 0.02 0.00 0.00 175.30 175.10 3k2g n GLY 108 N 3.81 2.56 0.22 -3.53 0.00 -1.26 -3.63 105.19 103.36 3k2g n GLY 108 Ca 0.14 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.22 3k2g n GLY 108 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3k2g n ILE 109 N -0.66 1.57 -0.31 -0.61 -5.35 -1.03 -4.94 119.36 108.03 3k2g n ILE 109 Ca 0.00 -1.68 0.00 0.00 -0.27 0.00 0.00 62.75 60.80 3k2g n ILE 109 Cb 0.00 0.07 0.00 0.00 -1.74 0.00 0.00 39.64 37.97 3k2g n ILE 109 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3k2g n GLY 110 N -0.81 1.68 3.73 3.28 0.00 -1.23 -0.80 105.19 111.03 3k2g n GLY 110 Ca 0.11 -0.13 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 3k2g n GLY 110 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3k2g s ARG 111 N -1.39 4.26 -0.29 1.61 3.52 -1.20 -4.57 118.95 120.89 3k2g s ARG 111 Ca 0.00 2.27 -0.01 0.00 -0.13 0.00 0.00 55.73 57.86 3k2g s ARG 111 Cb 0.00 -3.16 0.13 0.00 -1.56 0.00 0.00 34.95 30.36 3k2g s ARG 111 CO 0.00 -0.49 0.26 0.34 -0.81 0.00 0.00 175.30 174.60 3k2g s ASP 112 N 0.81 2.07 0.52 -2.12 -1.08 -1.26 -5.01 116.67 110.59 3k2g s ASP 112 Ca 0.64 -0.92 0.21 0.00 -0.52 0.00 0.00 52.55 51.96 3k2g s ASP 112 Cb -0.41 0.32 1.39 0.00 -1.46 0.00 0.00 42.92 42.75 3k2g s ASP 112 CO 0.36 -0.39 2.13 1.55 0.52 0.00 0.00 175.17 179.33 3k2g h PRO 113 N 8.23 0.00 -0.07 4.34 0.13 -1.94 -2.28 132.00 140.42 3k2g h PRO 113 Ca -0.14 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.99 3k2g h PRO 113 Cb 1.06 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.19 3k2g h PRO 113 CO 0.35 0.06 0.01 0.28 -0.23 0.00 0.00 178.00 178.48 3k2g h VAL 114 N 0.00 1.20 -0.23 1.56 2.07 -1.95 -1.96 116.25 116.93 3k2g h VAL 114 Ca -0.00 -0.60 -0.01 0.00 0.82 0.00 0.00 66.70 66.91 3k2g h VAL 114 Cb 0.13 1.47 -0.01 0.00 -1.52 0.00 0.00 31.29 31.36 3k2g h VAL 114 CO 0.01 0.17 0.12 0.11 0.02 0.00 0.00 177.57 177.99 3k2g h LYS 115 N -0.11 0.33 -0.79 1.57 1.57 -1.91 -2.55 116.57 114.68 3k2g h LYS 115 Ca 0.02 -0.04 0.11 0.00 -1.87 0.00 0.00 60.65 58.86 3k2g h LYS 115 Cb 0.25 -0.06 -0.08 0.00 0.08 0.00 0.00 32.23 32.43 3k2g h LYS 115 CO 0.00 0.32 0.42 -0.07 -0.57 0.00 0.00 179.45 179.55 3k2g h LEU 116 N 0.25 0.55 -0.90 2.94 3.38 -1.38 -0.46 115.31 119.69 3k2g h LEU 116 Ca 0.08 0.06 -0.06 0.00 0.09 0.00 0.00 57.88 58.05 3k2g h LEU 116 Cb 0.10 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 3k2g h LEU 116 CO -0.01 0.29 0.11 0.03 0.09 0.00 0.00 178.44 178.95 3k2g h ARG 117 N 0.67 0.92 -0.55 1.13 3.08 -1.11 0.80 114.38 119.31 3k2g h ARG 117 Ca 0.40 -0.21 -0.11 0.00 0.07 0.00 0.00 59.98 60.13 3k2g h ARG 117 Cb 0.44 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.35 3k2g h ARG 117 CO -0.29 0.84 -0.07 -0.09 -1.07 0.00 0.00 179.97 179.29 3k2g h ARG 118 N 0.87 1.01 -0.21 0.04 2.43 -0.87 0.14 114.38 117.80 3k2g h ARG 118 Ca 0.18 -0.35 -0.02 0.00 -0.81 0.00 0.00 59.98 58.98 3k2g h ARG 118 Cb 0.37 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.83 3k2g h ARG 118 CO 0.01 1.04 0.05 0.82 -1.51 0.00 0.00 179.97 180.37 3k2g h ILE 119 N 0.91 1.21 -0.67 1.20 2.04 -0.61 -0.23 117.51 121.36 3k2g h ILE 119 Ca 0.15 -0.67 -0.06 0.00 1.00 0.00 0.00 64.86 65.27 3k2g h ILE 119 Cb 0.63 1.26 -0.03 0.00 -0.74 0.00 0.00 36.82 37.94 3k2g h ILE 119 CO 0.04 0.21 0.17 0.77 0.00 0.00 0.00 178.15 179.34 3k2g h SER 120 N 0.15 1.00 -0.21 1.72 4.64 -0.72 -0.60 113.55 119.54 3k2g h SER 120 Ca 0.07 -0.20 -0.02 0.00 -0.47 0.00 0.00 61.79 61.17 3k2g h SER 120 Cb 0.28 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 62.09 3k2g h SER 120 CO 0.00 0.96 0.07 0.00 -0.87 0.00 0.00 176.83 176.99 3k2g h ALA 121 N 1.16 0.28 0.00 5.18 0.00 -0.48 -0.23 119.26 125.17 3k2g h ALA 121 Ca 0.21 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 3k2g h ALA 121 Cb 0.35 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 3k2g h ALA 121 CO 0.00 -0.11 -0.05 0.93 0.00 0.00 0.00 179.25 180.02 3k2g h GLU 122 N 0.18 0.00 0.00 0.00 5.08 -0.92 -3.34 114.58 115.58 3k2g h GLU 122 Ca 0.07 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.27 3k2g h GLU 122 Cb 0.22 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.44 3k2g h GLU 122 CO -0.00 0.05 -2.10 0.25 -1.00 0.00 0.00 179.01 176.21 3k2g n THR 123 N -3.11 0.59 -0.87 1.13 -2.24 -0.24 -4.98 114.28 104.56 3k2g n THR 123 Ca 0.04 -0.62 0.00 0.00 -2.27 0.00 0.00 64.05 61.20 3k2g n THR 123 Cb 0.55 -0.21 0.00 0.00 -2.10 0.00 0.00 70.33 68.57 3k2g n THR 123 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3k2g n GLY 124 N 1.56 0.79 3.74 3.38 0.00 -0.10 -4.94 105.19 109.63 3k2g n GLY 124 Ca -0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.48 3k2g n GLY 124 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3k2g s VAL 125 N -3.07 5.17 0.14 1.61 1.01 -1.24 -5.00 120.40 119.03 3k2g s VAL 125 Ca 0.00 0.88 -0.30 0.00 0.00 0.00 0.00 61.98 62.55 3k2g s VAL 125 Cb 0.00 -3.77 -0.07 0.00 0.00 0.00 0.00 36.38 32.54 3k2g s VAL 125 CO 0.00 0.38 1.17 -1.10 0.00 0.00 0.00 175.10 175.55 3k2g s GLN 126 N 0.30 4.50 -0.12 2.72 -0.21 0.12 -4.34 119.66 122.63 3k2g s GLN 126 Ca 0.24 1.79 0.03 0.00 0.02 0.00 0.00 55.36 57.44 3k2g s GLN 126 Cb -0.15 -3.29 0.00 0.00 1.00 0.00 0.00 33.01 30.58 3k2g s GLN 126 CO 0.10 -0.09 -0.23 0.08 -2.12 0.00 0.00 175.29 173.03 3k2g s VAL 127 N 0.26 2.12 0.06 1.09 1.01 -1.26 -0.29 120.40 123.39 3k2g s VAL 127 Ca 0.54 -0.98 0.01 0.00 0.00 0.00 0.00 61.98 61.54 3k2g s VAL 127 Cb -0.31 -1.83 0.01 0.00 0.00 0.00 0.00 36.38 34.26 3k2g s VAL 127 CO 0.34 0.55 0.07 0.52 0.00 0.00 0.00 175.10 176.58 3k2g n VAL 128 N 3.75 0.00 -3.70 2.92 0.31 -0.46 -0.96 118.33 120.18 3k2g n VAL 128 Ca -0.19 -0.21 -0.01 0.00 -0.01 0.00 0.00 64.34 63.92 3k2g n VAL 128 Cb 0.52 -0.75 -0.00 0.00 -0.91 0.00 0.00 33.84 32.70 3k2g n VAL 128 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3k2g n GLY 130 N 4.29 3.29 3.84 2.92 0.00 -0.84 -0.98 105.19 117.71 3k2g n GLY 130 Ca 0.01 -1.46 -0.05 0.00 0.00 0.00 0.00 46.02 44.52 3k2g n GLY 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k2g s ALA 131 N -1.76 -1.40 0.00 4.61 0.00 -1.22 -4.74 121.76 117.25 3k2g s ALA 131 Ca 0.02 -0.34 0.00 0.00 0.00 0.00 0.00 51.96 51.64 3k2g s ALA 131 Cb -0.00 0.72 0.00 0.00 0.00 0.00 0.00 23.12 23.84 3k2g s ALA 131 CO 0.02 -1.04 0.00 0.41 0.00 0.00 0.00 175.76 175.14 3k2g n GLY 132 N -0.61 -2.15 3.72 0.00 0.00 -1.26 -0.64 105.19 104.25 3k2g n GLY 132 Ca -0.05 -2.00 -0.30 0.00 0.00 0.00 0.00 46.02 43.67 3k2g n GLY 132 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3k2g s TYR 133 N -0.17 3.05 0.00 1.61 2.02 -1.26 -1.78 117.35 120.81 3k2g s TYR 133 Ca 0.00 -0.00 0.00 0.00 -0.37 0.00 0.00 57.07 56.70 3k2g s TYR 133 Cb 0.00 -1.55 0.00 0.00 -0.40 0.00 0.00 41.96 40.01 3k2g s TYR 133 CO 0.00 0.50 0.00 0.98 -1.57 0.00 0.00 175.55 175.46 3k2g n TYR 134 N 0.42 0.00 -1.54 2.71 9.36 -1.24 -1.80 117.16 125.08 3k2g n TYR 134 Ca -0.10 0.00 -0.36 0.00 3.32 0.00 0.00 57.90 60.76 3k2g n TYR 134 Cb 0.52 0.00 0.09 0.00 -0.63 0.00 0.00 39.34 39.32 3k2g n TYR 134 CO 0.00 0.00 0.00 1.28 0.22 0.00 0.00 176.86 178.36 3k2g n LEU 135 N 0.00 5.34 -0.26 2.98 4.77 -1.26 -3.95 117.00 124.61 3k2g n LEU 135 Ca 0.00 0.75 -0.09 0.00 -0.03 0.00 0.00 56.01 56.64 3k2g n LEU 135 Cb 0.00 -1.53 -0.08 0.00 -2.33 0.00 0.00 43.42 39.49 3k2g n LEU 135 CO 0.00 -1.30 0.49 0.00 -1.33 0.00 0.00 177.39 175.25 3k2g h ALA 136 N 0.10 -0.50 0.00 -1.18 0.00 -1.97 -0.78 119.26 114.92 3k2g h ALA 136 Ca -0.49 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.48 3k2g h ALA 136 Cb 1.33 1.22 0.00 0.00 0.00 0.00 0.00 17.79 20.34 3k2g h ALA 136 CO 0.51 -0.80 0.29 -1.13 0.00 0.00 0.00 179.25 178.12 3k2g n SER 137 N -4.77 0.34 -4.08 0.00 3.41 -1.26 -4.83 113.62 102.43 3k2g n SER 137 Ca 0.00 0.56 -0.41 0.00 -0.26 0.00 0.00 58.87 58.76 3k2g n SER 137 Cb 0.22 -0.51 -0.02 0.00 -0.26 0.00 0.00 64.21 63.65 3k2g n SER 137 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3k2g n SER 138 N -2.04 5.47 -4.61 4.04 3.41 -0.30 -5.04 113.62 114.54 3k2g n SER 138 Ca -0.01 -3.24 -0.27 0.00 -0.26 0.00 0.00 58.87 55.09 3k2g n SER 138 Cb 0.31 -1.21 -0.09 0.00 -0.26 0.00 0.00 64.21 62.96 3k2g n SER 138 CO 0.00 0.00 0.00 -2.84 -0.16 0.00 0.00 175.04 172.04 3k2g s PRO 140 N -2.00 2.22 0.35 4.33 0.02 -1.26 -4.49 135.00 134.17 3k2g s PRO 140 Ca 0.31 -1.17 0.03 0.00 0.02 0.00 0.00 61.00 60.19 3k2g s PRO 140 Cb -0.01 -2.26 0.67 0.00 0.02 0.00 0.00 34.50 32.91 3k2g s PRO 140 CO -0.01 0.45 2.00 1.49 -0.33 0.00 0.00 177.00 180.60 3k2g h GLU 141 N 2.88 0.80 0.00 5.54 4.22 -2.02 -2.09 114.58 123.92 3k2g h GLU 141 Ca -0.47 -0.05 -0.03 0.00 0.08 0.00 0.00 59.36 58.89 3k2g h GLU 141 Cb 1.20 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 30.26 3k2g h GLU 141 CO 0.56 0.53 -0.15 0.00 -2.18 0.00 0.00 179.01 177.77 3k2g h THR 142 N 0.83 1.09 0.00 0.32 1.03 -2.03 -2.69 112.91 111.46 3k2g h THR 142 Ca 0.25 -0.50 0.00 0.00 -0.01 0.00 0.00 66.41 66.14 3k2g h THR 142 Cb -0.03 1.27 0.00 0.00 -1.07 0.00 0.00 68.15 68.33 3k2g h THR 142 CO -0.06 0.14 0.00 0.00 -0.01 0.00 0.00 175.52 175.59 3k2g n ALA 143 N -2.51 1.22 0.11 0.00 0.00 -0.79 -2.04 120.51 116.50 3k2g n ALA 143 Ca -0.03 0.18 -0.03 0.00 0.00 0.00 0.00 53.44 53.56 3k2g n ALA 143 Cb 0.21 -1.35 0.17 0.00 0.00 0.00 0.00 19.45 18.48 3k2g n ALA 143 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3k2g h ALA 144 N 2.07 0.96 0.00 0.00 0.00 -1.63 -3.10 119.26 117.58 3k2g h ALA 144 Ca 0.00 -0.51 -0.08 0.00 0.00 0.00 0.00 54.91 54.32 3k2g h ALA 144 Cb 0.11 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3k2g h ALA 144 CO 0.00 0.70 -0.66 0.00 0.00 0.00 0.00 179.25 179.29 3k2g h ARG 145 N 0.13 0.00 -6.86 0.00 3.08 -1.62 -3.46 114.38 105.64 3k2g h ARG 145 Ca -0.00 0.00 -0.52 0.00 0.07 0.00 0.00 59.98 59.53 3k2g h ARG 145 Cb 1.02 0.00 0.05 0.00 0.08 0.00 0.00 29.97 31.12 3k2g h ARG 145 CO 0.08 0.28 0.59 -0.51 -1.07 0.00 0.00 179.97 179.34 3k2g s LEU 146 N -6.10 4.46 0.62 3.04 1.43 -1.17 -5.04 118.68 115.91 3k2g s LEU 146 Ca 0.03 2.57 0.01 0.00 -1.03 0.00 0.00 54.13 55.70 3k2g s LEU 146 Cb 0.08 -3.64 0.07 0.00 0.03 0.00 0.00 46.19 42.73 3k2g s LEU 146 CO 0.75 -0.42 0.86 -0.94 0.23 0.00 0.00 176.35 176.83 3k2g s SER 147 N -0.59 4.90 0.25 2.29 1.04 -1.26 -4.91 113.70 115.42 3k2g s SER 147 Ca 0.48 -0.21 -0.06 0.00 0.48 0.00 0.00 55.95 56.64 3k2g s SER 147 Cb -0.38 -0.45 0.27 0.00 0.10 0.00 0.00 66.02 65.56 3k2g s SER 147 CO 0.49 -1.44 1.90 0.00 0.98 0.00 0.00 173.24 175.18 3k2g h ALA 148 N -0.15 1.25 -0.17 5.32 0.00 -1.97 -1.61 119.26 121.93 3k2g h ALA 148 Ca -0.39 -0.10 -0.12 0.00 0.00 0.00 0.00 54.91 54.30 3k2g h ALA 148 Cb 1.28 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 3k2g h ALA 148 CO 0.47 0.65 -0.43 -0.44 0.00 0.00 0.00 179.25 179.50 3k2g h ASP 149 N 1.29 0.43 -0.39 0.00 3.32 -1.93 -1.63 116.42 117.51 3k2g h ASP 149 Ca 0.34 -0.19 -0.08 0.00 0.02 0.00 0.00 57.03 57.12 3k2g h ASP 149 Cb -0.08 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.33 3k2g h ASP 149 CO -0.07 0.81 -0.03 0.44 -1.72 0.00 0.00 179.24 178.67 3k2g h ASP 150 N 0.33 0.77 -0.52 6.45 3.32 -1.77 0.14 116.42 125.14 3k2g h ASP 150 Ca 0.03 -0.20 -0.09 0.00 0.02 0.00 0.00 57.03 56.78 3k2g h ASP 150 Cb 0.90 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 40.22 3k2g h ASP 150 CO 0.07 0.86 -0.05 0.40 -1.72 0.00 0.00 179.24 178.81 3k2g h ILE 151 N 0.74 1.27 -0.61 0.35 2.04 -1.06 -1.30 117.51 118.93 3k2g h ILE 151 Ca 0.14 -1.17 -0.03 0.00 1.00 0.00 0.00 64.86 64.80 3k2g h ILE 151 Cb 0.50 0.97 -0.03 0.00 -0.74 0.00 0.00 36.82 37.52 3k2g h ILE 151 CO 0.03 0.41 0.27 0.00 0.00 0.00 0.00 178.15 178.86 3k2g h ALA 152 N 0.93 0.79 -0.93 1.87 0.00 -0.77 -2.20 119.26 118.95 3k2g h ALA 152 Ca 0.14 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 54.92 3k2g h ALA 152 Cb 0.59 -0.24 -0.05 0.00 0.00 0.00 0.00 17.79 18.09 3k2g h ALA 152 CO 0.04 0.38 0.61 -0.44 0.00 0.00 0.00 179.25 179.83 3k2g h ASP 153 N 0.84 1.03 -0.55 0.00 3.32 -0.38 -0.32 116.42 120.36 3k2g h ASP 153 Ca 0.21 -0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.22 3k2g h ASP 153 Cb 0.16 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.43 3k2g h ASP 153 CO -0.02 0.73 0.27 -0.33 -1.72 0.00 0.00 179.24 178.17 3k2g h GLU 154 N 1.21 0.79 -0.61 3.56 5.08 -0.81 -1.65 114.58 122.16 3k2g h GLU 154 Ca 0.35 -0.11 -0.08 0.00 -1.00 0.00 0.00 59.36 58.52 3k2g h GLU 154 Cb -0.07 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.01 3k2g h GLU 154 CO -0.10 0.64 0.07 0.82 -1.00 0.00 0.00 179.01 179.45 3k2g h ILE 155 N 0.75 1.26 -0.74 3.13 2.04 -0.88 -2.59 117.51 120.47 3k2g h ILE 155 Ca 0.19 -1.05 -0.04 0.00 1.00 0.00 0.00 64.86 64.97 3k2g h ILE 155 Cb 0.11 0.75 -0.03 0.00 -0.74 0.00 0.00 36.82 36.90 3k2g h ILE 155 CO -0.03 0.38 0.32 0.58 0.00 0.00 0.00 178.15 179.40 3k2g h VAL 156 N 0.93 1.25 -0.29 1.67 2.07 -0.82 -2.14 116.25 118.92 3k2g h VAL 156 Ca 0.18 -0.75 -0.06 0.00 0.82 0.00 0.00 66.70 66.89 3k2g h VAL 156 Cb 0.46 0.34 -0.02 0.00 -1.52 0.00 0.00 31.29 30.55 3k2g h VAL 156 CO 0.02 0.31 -0.09 0.00 0.02 0.00 0.00 177.57 177.83 3k2g h ALA 157 N 1.27 1.32 0.00 1.67 0.00 -1.06 -1.56 119.26 120.91 3k2g h ALA 157 Ca 0.25 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 3k2g h ALA 157 Cb 0.17 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 3k2g h ALA 157 CO -0.02 0.46 -0.15 0.93 0.00 0.00 0.00 179.25 180.46 3k2g h GLU 158 N 0.44 0.00 0.01 0.00 5.08 -1.08 0.28 114.58 119.31 3k2g h GLU 158 Ca 0.09 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 58.20 3k2g h GLU 158 Cb 0.43 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.64 3k2g h GLU 158 CO 0.02 0.15 -1.31 0.00 -1.00 0.00 0.00 179.01 176.88 3k2g h ALA 159 N 1.85 0.51 0.00 3.43 0.00 -0.94 -1.65 119.26 122.46 3k2g h ALA 159 Ca -0.00 -1.14 -0.30 0.00 0.00 0.00 0.00 54.91 53.47 3k2g h ALA 159 Cb 1.04 0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.89 3k2g h ALA 159 CO 0.02 1.37 -2.14 1.28 0.00 0.00 0.00 179.25 179.78 3k2g n LEU 160 N -3.24 0.98 -0.02 0.00 4.77 -0.63 -4.66 117.00 114.21 3k2g n LEU 160 Ca -0.08 -0.04 -0.02 0.00 -0.03 0.00 0.00 56.01 55.85 3k2g n LEU 160 Cb 0.99 0.03 -0.01 0.00 -2.33 0.00 0.00 43.42 42.10 3k2g n LEU 160 CO 0.46 0.55 -0.15 -0.62 -1.33 0.00 0.00 177.39 176.30 3k2g n GLU 161 N -2.77 0.12 0.00 3.23 1.02 0.06 -5.06 120.64 117.24 3k2g n GLU 161 Ca -0.30 0.05 0.00 0.00 -0.02 0.00 0.00 57.16 56.89 3k2g n GLU 161 Cb 0.99 -0.62 0.00 0.00 -0.02 0.00 0.00 31.44 31.78 3k2g n GLU 161 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3k2g n GLY 162 N 1.99 -0.74 3.04 0.62 0.00 -1.03 -4.69 105.19 104.38 3k2g n GLY 162 Ca -0.03 -0.99 -0.18 0.00 0.00 0.00 0.00 46.02 44.83 3k2g n GLY 162 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3k2g s THR 163 N -2.00 0.70 -1.54 2.61 2.01 -0.09 -3.81 115.64 113.52 3k2g s THR 163 Ca 0.00 -0.56 -0.05 0.00 0.31 0.00 0.00 61.69 61.39 3k2g s THR 163 Cb 0.00 -0.63 0.05 0.00 0.01 0.00 0.00 72.50 71.93 3k2g s THR 163 CO 0.00 0.07 0.36 -0.67 -0.69 0.00 0.00 174.62 173.69 3k2g n ASP 164 N 2.51 -0.55 0.00 3.53 -0.08 -1.26 -0.56 116.55 120.13 3k2g n ASP 164 Ca -0.15 -1.12 0.00 0.00 -1.51 0.00 0.00 54.79 52.01 3k2g n ASP 164 Cb 0.56 -2.41 0.00 0.00 2.34 0.00 0.00 41.12 41.61 3k2g n ASP 164 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3k2g n GLY 165 N -2.00 1.54 3.89 0.27 0.00 -1.26 -5.02 105.19 102.61 3k2g n GLY 165 Ca -0.21 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.55 3k2g n GLY 165 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3k2g s THR 166 N -3.56 1.83 -1.62 2.61 -1.32 0.27 -5.03 115.64 108.83 3k2g s THR 166 Ca 0.00 -1.48 0.21 0.00 -1.21 0.00 0.00 61.69 59.21 3k2g s THR 166 Cb 0.00 -2.31 0.69 0.00 -1.51 0.00 0.00 72.50 69.36 3k2g s THR 166 CO 0.00 0.00 1.59 -0.90 -2.21 0.00 0.00 174.62 173.10 3k2g n ASP 167 N -1.71 4.34 -4.72 8.08 5.75 -1.26 -1.80 116.55 125.22 3k2g n ASP 167 Ca -0.01 -2.19 -0.42 0.00 -0.01 0.00 0.00 54.79 52.17 3k2g n ASP 167 Cb 0.64 -0.53 -0.03 0.00 -1.03 0.00 0.00 41.12 40.16 3k2g n ASP 167 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3k2g s ALA 168 N -1.36 3.36 0.16 2.12 0.00 -1.26 -4.65 121.76 120.13 3k2g s ALA 168 Ca 0.50 0.81 0.07 0.00 0.00 0.00 0.00 51.96 53.34 3k2g s ALA 168 Cb 0.29 -3.40 -0.04 0.00 0.00 0.00 0.00 23.12 19.97 3k2g s ALA 168 CO 0.30 -0.34 0.02 1.03 0.00 0.00 0.00 175.76 176.77 3k2g s ARG 169 N 0.51 2.49 0.54 0.00 0.52 -1.26 -0.91 118.95 120.83 3k2g s ARG 169 Ca 0.55 -1.03 -0.16 0.00 -0.52 0.00 0.00 55.73 54.57 3k2g s ARG 169 Cb -0.29 -2.43 -0.06 0.00 0.52 0.00 0.00 34.95 32.69 3k2g s ARG 169 CO 0.31 0.47 1.01 0.96 0.02 0.00 0.00 175.30 178.08 3k2g s ILE 170 N -1.65 4.28 0.00 1.52 -4.36 -0.62 -4.55 121.20 115.83 3k2g s ILE 170 Ca 0.27 1.10 0.00 0.00 -0.26 0.00 0.00 60.65 61.76 3k2g s ILE 170 Cb -0.10 -3.61 0.00 0.00 1.25 0.00 0.00 42.46 40.01 3k2g s ILE 170 CO 0.19 -0.63 0.28 0.61 0.24 0.00 0.00 174.94 175.63 3k2g n GLY 171 N -1.37 -0.40 3.29 6.27 0.00 -1.26 -4.73 105.19 106.99 3k2g n GLY 171 Ca 0.07 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.95 3k2g n GLY 171 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3k2g s LEU 172 N -0.78 0.55 -0.59 0.99 0.20 -1.26 -4.48 118.68 113.31 3k2g s LEU 172 Ca 0.00 0.22 -0.16 0.00 0.69 0.00 0.00 54.13 54.88 3k2g s LEU 172 Cb 0.00 1.52 0.14 0.00 -0.43 0.00 0.00 46.19 47.42 3k2g s LEU 172 CO 0.00 -0.48 0.57 -0.63 -0.29 0.00 0.00 176.35 175.52 3k2g s ILE 173 N -1.28 5.19 -5.00 6.68 1.01 -0.14 -3.41 121.20 124.26 3k2g s ILE 173 Ca -0.13 -1.54 0.00 0.00 0.00 0.00 0.00 60.65 58.98 3k2g s ILE 173 Cb -0.04 -4.38 0.00 0.00 0.01 0.00 0.00 42.46 38.05 3k2g s ILE 173 CO 0.05 -0.93 0.00 0.61 0.00 0.00 0.00 174.94 174.67 3k2g n GLY 174 N 5.11 -1.50 0.00 6.18 0.00 0.19 -4.44 105.19 110.73 3k2g n GLY 174 Ca -0.10 -1.37 0.00 0.00 0.00 0.00 0.00 46.02 44.56 3k2g n GLY 174 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3k2g n GLU 175 N -0.41 0.00 -2.61 1.61 4.07 -1.26 -3.83 120.64 118.20 3k2g n GLU 175 Ca 0.00 0.00 -0.42 0.00 -0.06 0.00 0.00 57.16 56.68 3k2g n GLU 175 Cb 0.00 0.00 -0.03 0.00 -0.06 0.00 0.00 31.44 31.35 3k2g n GLU 175 CO 0.00 0.00 0.00 0.42 -0.06 0.00 0.00 177.13 177.49 3k2g s ILE 176 N -1.69 4.59 -0.03 6.31 -1.09 -1.26 -4.46 121.20 123.57 3k2g s ILE 176 Ca 0.00 1.87 -0.30 0.00 -2.23 0.00 0.00 60.65 59.99 3k2g s ILE 176 Cb 0.00 -4.20 -0.04 0.00 -1.58 0.00 0.00 42.46 36.64 3k2g s ILE 176 CO 0.00 0.08 1.22 -0.83 -1.23 0.00 0.00 174.94 174.17 3k2g s GLY 177 N 1.13 2.15 -0.15 6.18 0.00 -0.74 -0.65 107.32 115.24 3k2g s GLY 177 Ca 0.53 0.69 -0.03 0.00 0.00 0.00 0.00 44.72 45.91 3k2g s GLY 177 CO 0.24 2.20 0.03 0.14 0.00 0.00 0.00 173.10 175.71 3k2g s VAL 178 N 1.99 0.37 0.64 1.40 1.01 -1.19 -4.54 120.40 120.07 3k2g s VAL 178 Ca 0.57 -0.26 -0.01 0.00 0.00 0.00 0.00 61.98 62.28 3k2g s VAL 178 Cb -0.26 -0.78 0.07 0.00 0.00 0.00 0.00 36.38 35.40 3k2g s VAL 178 CO 0.24 -0.07 0.90 -0.94 0.00 0.00 0.00 175.10 175.23 3k2g s SER 179 N 1.95 4.87 0.52 3.32 1.04 -1.26 -3.52 113.70 120.62 3k2g s SER 179 Ca 0.01 -0.01 0.35 0.00 0.48 0.00 0.00 55.95 56.79 3k2g s SER 179 Cb -0.15 -0.67 1.77 0.00 0.10 0.00 0.00 66.02 67.07 3k2g s SER 179 CO -0.07 -1.47 2.06 0.77 0.98 0.00 0.00 173.24 175.51 3k2g h SER 180 N -0.27 0.00 0.97 7.02 4.64 -1.98 -0.51 113.55 123.42 3k2g h SER 180 Ca -0.41 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 60.80 3k2g h SER 180 Cb 1.29 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.36 3k2g h SER 180 CO 0.50 0.00 -1.09 0.44 -0.87 0.00 0.00 176.83 175.81 3k2g h ASP 181 N 0.00 0.00 -6.40 4.97 3.32 -2.02 -3.49 116.42 112.80 3k2g h ASP 181 Ca 0.00 0.00 -0.45 0.00 0.02 0.00 0.00 57.03 56.60 3k2g h ASP 181 Cb 0.15 0.00 0.05 0.00 0.22 0.00 0.00 39.33 39.75 3k2g h ASP 181 CO 0.00 0.39 -0.92 0.33 -1.72 0.00 0.00 179.24 177.32 3k2g n PHE 182 N -2.90 -1.86 -0.82 4.55 -0.00 -0.20 -4.90 117.46 111.33 3k2g n PHE 182 Ca -0.05 0.43 -0.30 0.00 -0.00 0.00 0.00 57.45 57.53 3k2g n PHE 182 Cb 0.74 -3.25 0.17 0.00 -0.00 0.00 0.00 39.48 37.14 3k2g n PHE 182 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 176.76 177.71 3k2g s THR 183 N -3.40 2.32 0.35 -2.13 -4.23 -1.26 -4.74 115.64 102.55 3k2g s THR 183 Ca 0.41 0.10 0.05 0.00 -1.18 0.00 0.00 61.69 61.07 3k2g s THR 183 Cb -0.17 -2.27 0.29 0.00 1.34 0.00 0.00 72.50 71.69 3k2g s THR 183 CO 0.89 -0.14 1.96 0.00 -0.54 0.00 0.00 174.62 176.79 3k2g h ALA 184 N -1.90 1.65 -0.43 3.99 0.00 -1.99 -0.23 119.26 120.36 3k2g h ALA 184 Ca -0.48 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.34 3k2g h ALA 184 Cb 1.28 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 3k2g h ALA 184 CO 0.47 0.25 0.03 0.93 0.00 0.00 0.00 179.25 180.93 3k2g h GLU 185 N 0.80 0.74 -0.27 0.00 3.07 -1.99 -0.51 114.58 116.42 3k2g h GLU 185 Ca 0.31 -0.22 -0.09 0.00 -0.50 0.00 0.00 59.36 58.85 3k2g h GLU 185 Cb 0.18 -0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 28.00 3k2g h GLU 185 CO -0.10 0.79 -0.22 0.93 -1.40 0.00 0.00 179.01 179.02 3k2g h GLU 186 N 0.58 0.51 -0.43 2.33 5.08 -1.63 0.12 114.58 121.14 3k2g h GLU 186 Ca 0.13 -0.18 -0.08 0.00 -1.00 0.00 0.00 59.36 58.23 3k2g h GLU 186 Cb 0.44 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 3k2g h GLU 186 CO 0.02 0.70 -0.03 1.49 -1.00 0.00 0.00 179.01 180.18 3k2g h GLU 187 N 0.45 0.78 -0.56 2.33 4.81 -0.80 0.22 114.58 121.82 3k2g h GLU 187 Ca 0.07 -0.26 -0.03 0.00 -0.13 0.00 0.00 59.36 59.00 3k2g h GLU 187 Cb 0.63 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.92 3k2g h GLU 187 CO 0.04 0.87 0.22 -0.22 -0.73 0.00 0.00 179.01 179.19 3k2g h LYS 188 N 0.62 0.83 -0.21 1.92 3.64 -0.77 -0.05 116.57 122.54 3k2g h LYS 188 Ca 0.12 -0.15 0.02 0.00 -1.27 0.00 0.00 60.65 59.36 3k2g h LYS 188 Cb 0.53 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.20 3k2g h LYS 188 CO 0.03 0.72 0.08 1.03 -2.27 0.00 0.00 179.45 179.04 3k2g h SER 189 N 0.76 0.11 -0.49 4.20 0.87 -0.70 -1.07 113.55 117.24 3k2g h SER 189 Ca 0.19 0.02 -0.07 0.00 -1.23 0.00 0.00 61.79 60.69 3k2g h SER 189 Cb 0.20 -0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.14 3k2g h SER 189 CO -0.01 0.09 0.08 0.25 -0.53 0.00 0.00 176.83 176.71 3k2g h LEU 190 N 0.19 0.83 -0.59 2.23 5.85 -0.67 -1.23 115.31 121.93 3k2g h LEU 190 Ca 0.09 -0.18 -0.07 0.00 0.84 0.00 0.00 57.88 58.56 3k2g h LEU 190 Cb 0.04 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 40.83 3k2g h LEU 190 CO -0.08 0.85 0.09 0.03 -0.34 0.00 0.00 178.44 178.99 3k2g h ARG 191 N 0.83 0.97 -0.41 1.25 3.08 -0.71 -0.09 114.38 119.31 3k2g h ARG 191 Ca 0.17 -0.26 -0.08 0.00 0.07 0.00 0.00 59.98 59.88 3k2g h ARG 191 Cb 0.39 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.31 3k2g h ARG 191 CO 0.01 0.93 -0.08 0.78 -1.07 0.00 0.00 179.97 180.53 3k2g h GLY 192 N 0.87 0.76 1.00 0.04 0.00 -0.92 -1.07 103.07 103.75 3k2g h GLY 192 Ca 0.18 -0.54 -0.09 0.00 0.00 0.00 0.00 47.33 46.88 3k2g h GLY 192 CO 0.01 0.50 -0.09 0.00 0.00 0.00 0.00 176.54 176.96 3k2g h ALA 193 N 1.26 0.58 -0.55 3.60 0.00 -0.85 -1.09 119.26 122.21 3k2g h ALA 193 Ca 0.12 -0.32 -0.08 0.00 0.00 0.00 0.00 54.91 54.63 3k2g h ALA 193 Cb 0.52 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 3k2g h ALA 193 CO 0.03 0.45 0.03 0.00 0.00 0.00 0.00 179.25 179.76 3k2g h ALA 194 N 0.86 1.01 -0.24 0.00 0.00 -0.74 0.61 119.26 120.76 3k2g h ALA 194 Ca 0.11 -0.28 -0.09 0.00 0.00 0.00 0.00 54.91 54.66 3k2g h ALA 194 Cb 0.62 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 3k2g h ALA 194 CO 0.04 0.61 -0.22 0.00 0.00 0.00 0.00 179.25 179.68 3k2g h ARG 195 N 0.86 0.44 0.00 0.00 3.08 -1.05 -1.35 114.38 116.36 3k2g h ARG 195 Ca 0.16 -0.15 -0.11 0.00 0.07 0.00 0.00 59.98 59.96 3k2g h ARG 195 Cb 0.47 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.47 3k2g h ARG 195 CO 0.02 0.64 -0.50 0.00 -1.07 0.00 0.00 179.97 179.06 3k2g h ALA 196 N 1.37 1.17 -0.48 0.04 0.00 -0.39 -1.35 119.26 119.61 3k2g h ALA 196 Ca 0.06 -0.46 -0.07 0.00 0.00 0.00 0.00 54.91 54.45 3k2g h ALA 196 Cb 0.61 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 3k2g h ALA 196 CO 0.04 0.63 0.02 0.37 0.00 0.00 0.00 179.25 180.31 3k2g h GLN 197 N 0.00 0.83 -0.27 0.00 -0.00 0.18 0.61 115.11 116.46 3k2g h GLN 197 Ca -0.01 -0.25 -0.05 0.00 -0.00 0.00 0.00 58.65 58.35 3k2g h GLN 197 Cb 0.89 -0.08 -0.01 0.00 0.00 0.00 0.00 27.48 28.28 3k2g h GLN 197 CO 0.07 0.86 -0.02 0.28 0.00 0.00 0.00 178.83 180.02 3k2g h VAL 198 N 0.69 1.26 -0.35 2.39 2.07 -1.04 0.70 116.25 121.97 3k2g h VAL 198 Ca 0.14 -0.96 -0.10 0.00 0.82 0.00 0.00 66.70 66.59 3k2g h VAL 198 Cb 0.47 1.36 -0.01 0.00 -1.52 0.00 0.00 31.29 31.60 3k2g h VAL 198 CO 0.02 0.30 -0.19 0.03 0.02 0.00 0.00 177.57 177.76 3k2g h ARG 199 N 0.25 0.74 0.00 1.57 3.08 -1.13 -3.32 114.38 115.58 3k2g h ARG 199 Ca 0.07 -0.33 -0.13 0.00 0.07 0.00 0.00 59.98 59.66 3k2g h ARG 199 Cb 0.45 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.46 3k2g h ARG 199 CO 0.02 0.95 -1.44 0.25 -1.07 0.00 0.00 179.97 178.67 3k2g n THR 200 N -4.30 0.99 -1.05 2.04 -2.24 0.20 -2.47 114.28 107.44 3k2g n THR 200 Ca -0.02 -0.66 -0.02 0.00 -2.27 0.00 0.00 64.05 61.08 3k2g n THR 200 Cb 0.41 -0.58 -0.01 0.00 -2.10 0.00 0.00 70.33 68.06 3k2g n THR 200 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3k2g n GLY 201 N 1.36 0.52 3.90 3.38 0.00 0.24 -0.36 105.19 114.22 3k2g n GLY 201 Ca -0.09 -0.35 -0.28 0.00 0.00 0.00 0.00 46.02 45.30 3k2g n GLY 201 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3k2g s LEU 202 N -0.38 3.85 0.76 0.99 1.43 -1.25 -0.59 118.68 123.50 3k2g s LEU 202 Ca 0.00 0.91 -0.14 0.00 -1.03 0.00 0.00 54.13 53.87 3k2g s LEU 202 Cb 0.00 -3.79 0.06 0.00 0.03 0.00 0.00 46.19 42.49 3k2g s LEU 202 CO 0.00 -0.39 1.20 -2.84 0.23 0.00 0.00 176.35 174.56 3k2g s PRO 203 N -4.05 1.92 0.47 1.29 0.02 -1.26 -4.75 135.00 128.64 3k2g s PRO 203 Ca 0.47 1.74 0.01 0.00 0.02 0.00 0.00 61.00 63.24 3k2g s PRO 203 Cb -0.10 -1.81 -0.00 0.00 0.02 0.00 0.00 34.50 32.60 3k2g s PRO 203 CO 0.35 -1.99 0.03 -0.11 -0.33 0.00 0.00 177.00 174.94 3k2g n LEU 204 N -3.00 0.00 -3.52 -5.54 7.94 -0.19 -0.96 117.00 111.73 3k2g n LEU 204 Ca 0.13 -3.02 0.03 0.00 -1.11 0.00 0.00 56.01 52.04 3k2g n LEU 204 Cb 0.50 0.46 -0.05 0.00 0.53 0.00 0.00 43.42 44.86 3k2g n LEU 204 CO 0.48 -0.44 1.00 -0.69 -1.11 0.00 0.00 177.39 176.64 3k2g s VAL 206 N -2.80 -0.01 0.01 1.96 1.01 0.39 0.51 120.40 121.48 3k2g s VAL 206 Ca 0.04 0.00 -0.30 0.00 0.00 0.00 0.00 61.98 61.71 3k2g s VAL 206 Cb 0.00 -1.00 -0.04 0.00 0.00 0.00 0.00 36.38 35.34 3k2g s VAL 206 CO 0.03 0.00 1.15 -2.28 0.00 0.00 0.00 175.10 174.00 3k2g s HIS 207 N 1.29 3.41 0.00 5.22 5.65 0.18 -0.79 115.29 130.25 3k2g s HIS 207 Ca -0.06 1.36 0.05 0.00 0.25 0.00 0.00 55.06 56.66 3k2g s HIS 207 Cb -0.02 -3.36 -0.03 0.00 -1.18 0.00 0.00 32.58 27.99 3k2g s HIS 207 CO -0.11 -1.03 -0.13 -0.51 -0.65 0.00 0.00 174.74 172.31 3k2g s LEU 208 N 1.39 2.85 -1.20 8.88 1.43 -1.24 -3.16 118.68 127.64 3k2g s LEU 208 Ca 0.56 -0.26 -0.22 0.00 -1.03 0.00 0.00 54.13 53.19 3k2g s LEU 208 Cb -0.26 -1.64 -0.05 0.00 0.03 0.00 0.00 46.19 44.27 3k2g s LEU 208 CO 0.27 0.29 1.88 -2.16 0.23 0.00 0.00 176.35 176.86 3k2g s PRO 209 N -1.24 2.84 0.41 1.29 0.04 -1.23 -4.77 135.00 132.34 3k2g s PRO 209 Ca 0.15 -1.31 0.32 0.00 0.04 0.00 0.00 61.00 60.19 3k2g s PRO 209 Cb -0.11 -5.30 1.36 0.00 0.04 0.00 0.00 34.50 30.49 3k2g s PRO 209 CO 0.05 -3.55 1.38 0.41 0.04 0.00 0.00 177.00 175.32 3k2g n GLY 210 N 5.78 -0.77 0.44 0.56 0.00 -1.26 -0.70 105.19 109.24 3k2g n GLY 210 Ca 0.45 0.66 0.06 0.00 0.00 0.00 0.00 46.02 47.20 3k2g n GLY 210 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3k2g n TRP 211 N -4.34 0.27 -4.09 1.61 8.01 -1.26 -4.09 117.44 113.55 3k2g n TRP 211 Ca 0.36 -0.14 -0.09 0.00 -1.31 0.00 0.00 57.50 56.33 3k2g n TRP 211 Cb 1.46 0.00 -0.02 0.00 -2.01 0.00 0.00 31.31 30.74 3k2g n TRP 211 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.69 177.87 3k2g n PHE 212 N 0.15 -0.00 -3.05 -5.99 3.72 0.12 -5.05 117.46 107.36 3k2g n PHE 212 Ca 0.11 -0.73 -0.21 0.00 -0.05 0.00 0.00 57.45 56.57 3k2g n PHE 212 Cb 0.22 -0.11 -0.03 0.00 -0.94 0.00 0.00 39.48 38.63 3k2g n PHE 212 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 3k2g n ARG 213 N -0.49 1.90 -0.07 -1.08 5.12 -1.26 -4.88 116.66 115.90 3k2g n ARG 213 Ca -0.05 -3.96 0.12 0.00 -1.93 0.00 0.00 57.85 52.03 3k2g n ARG 213 Cb 0.19 -1.90 0.21 0.00 -1.16 0.00 0.00 32.46 29.80 3k2g n ARG 213 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 3k2g n LEU 214 N 0.04 2.86 -0.23 0.55 4.77 -1.26 -4.60 117.00 119.13 3k2g n LEU 214 Ca 0.27 -1.08 0.01 0.00 -0.03 0.00 0.00 56.01 55.18 3k2g n LEU 214 Cb 0.57 -0.09 0.13 0.00 -2.33 0.00 0.00 43.42 41.69 3k2g n LEU 214 CO 0.26 0.54 1.03 0.00 -1.33 0.00 0.00 177.39 177.90 3k2g h ALA 215 N 4.55 0.91 -0.29 -1.18 0.00 -1.95 -1.07 119.26 120.23 3k2g h ALA 215 Ca 0.00 0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 3k2g h ALA 215 Cb 0.89 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 3k2g h ALA 215 CO 0.00 -0.11 -0.15 0.45 0.00 0.00 0.00 179.25 179.43 3k2g h HIS 216 N 0.52 0.56 -0.26 0.00 3.86 -1.97 -0.10 115.15 117.76 3k2g h HIS 216 Ca 0.34 -0.09 -0.12 0.00 -1.16 0.00 0.00 60.37 59.33 3k2g h HIS 216 Cb 0.39 -0.15 -0.01 0.00 1.06 0.00 0.00 27.41 28.71 3k2g h HIS 216 CO -0.13 0.65 -0.35 -0.09 0.86 0.00 0.00 177.93 178.86 3k2g h ARG 217 N 0.47 0.56 -0.11 2.45 2.43 -1.71 -0.28 114.38 118.19 3k2g h ARG 217 Ca 0.08 -0.26 -0.01 0.00 -0.81 0.00 0.00 59.98 58.98 3k2g h ARG 217 Cb 0.54 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.08 3k2g h ARG 217 CO 0.03 0.83 0.03 0.28 -1.51 0.00 0.00 179.97 179.64 3k2g h VAL 218 N 0.47 1.18 -0.24 0.20 2.07 -0.59 -2.27 116.25 117.07 3k2g h VAL 218 Ca 0.05 -0.54 -0.07 0.00 0.82 0.00 0.00 66.70 66.96 3k2g h VAL 218 Cb 0.83 1.34 -0.01 0.00 -1.52 0.00 0.00 31.29 31.93 3k2g h VAL 218 CO 0.07 0.16 -0.16 -0.07 0.02 0.00 0.00 177.57 177.59 3k2g h LEU 219 N -0.02 0.40 -0.81 2.57 3.38 -0.90 -1.36 115.31 118.57 3k2g h LEU 219 Ca 0.03 -0.10 0.01 0.00 0.09 0.00 0.00 57.88 57.91 3k2g h LEU 219 Cb 0.22 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.82 3k2g h LEU 219 CO -0.00 0.58 0.53 0.44 0.09 0.00 0.00 178.44 180.08 3k2g h ASP 220 N 0.38 0.93 -0.14 -0.43 3.32 -0.84 0.16 116.42 119.80 3k2g h ASP 220 Ca 0.07 -0.03 -0.06 0.00 0.02 0.00 0.00 57.03 57.03 3k2g h ASP 220 Cb 0.50 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 39.82 3k2g h ASP 220 CO 0.03 0.68 -0.15 0.25 -1.72 0.00 0.00 179.24 178.34 3k2g h LEU 221 N 1.10 0.37 -1.41 1.55 6.46 -0.93 -1.01 115.31 121.45 3k2g h LEU 221 Ca 0.30 -0.49 0.01 0.00 -0.12 0.00 0.00 57.88 57.58 3k2g h LEU 221 Cb -0.12 -0.11 -0.03 0.00 -0.73 0.00 0.00 40.66 39.68 3k2g h LEU 221 CO -0.06 0.78 0.40 0.58 -0.62 0.00 0.00 178.44 179.52 3k2g h VAL 222 N -0.03 1.15 -0.04 1.05 2.07 -1.03 -2.28 116.25 117.14 3k2g h VAL 222 Ca 0.02 -0.28 -0.01 0.00 0.82 0.00 0.00 66.70 67.25 3k2g h VAL 222 Cb 0.68 0.26 -0.00 0.00 -1.52 0.00 0.00 31.29 30.71 3k2g h VAL 222 CO 0.04 0.15 -0.02 -0.08 0.02 0.00 0.00 177.57 177.68 3k2g h GLU 223 N 0.82 0.08 0.00 1.57 4.81 -0.53 -1.31 114.58 120.01 3k2g h GLU 223 Ca 0.22 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.42 3k2g h GLU 223 Cb -0.09 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.29 3k2g h GLU 223 CO -0.05 0.47 0.00 -0.85 -0.73 0.00 0.00 179.01 177.85 3k2g n GLU 224 N -4.83 0.08 -0.07 1.92 0.28 -0.40 -0.84 120.64 116.78 3k2g n GLU 224 Ca -0.08 0.36 0.12 0.00 -0.16 0.00 0.00 57.16 57.41 3k2g n GLU 224 Cb 0.24 -1.66 0.34 0.00 1.43 0.00 0.00 31.44 31.78 3k2g n GLU 224 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 3k2g n GLU 225 N -1.81 1.97 -0.96 3.44 -0.58 -0.88 -4.93 120.64 116.88 3k2g n GLU 225 Ca 0.02 -1.44 0.00 0.00 -0.42 0.00 0.00 57.16 55.33 3k2g n GLU 225 Cb 0.16 -1.45 0.00 0.00 -0.57 0.00 0.00 31.44 29.58 3k2g n GLU 225 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3k2g n GLY 226 N 1.25 0.51 3.85 0.62 0.00 -0.02 -4.68 105.19 106.72 3k2g n GLY 226 Ca 0.17 -0.06 -0.31 0.00 0.00 0.00 0.00 46.02 45.82 3k2g n GLY 226 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k2g s ALA 227 N -2.00 2.87 -0.64 4.61 0.00 -0.51 -4.82 121.76 121.27 3k2g s ALA 227 Ca 0.00 -0.05 -0.24 0.00 0.00 0.00 0.00 51.96 51.68 3k2g s ALA 227 Cb 0.00 -3.12 0.06 0.00 0.00 0.00 0.00 23.12 20.06 3k2g s ALA 227 CO 0.00 -1.00 1.00 0.34 0.00 0.00 0.00 175.76 176.10 3k2g s ASP 228 N -4.02 6.22 0.54 0.00 -1.08 -1.26 -4.56 116.67 112.50 3k2g s ASP 228 Ca 0.57 -0.73 0.20 0.00 -0.52 0.00 0.00 52.55 52.07 3k2g s ASP 228 Cb -0.12 -2.44 1.39 0.00 -1.46 0.00 0.00 42.92 40.28 3k2g s ASP 228 CO 0.54 -1.43 2.13 -0.07 0.52 0.00 0.00 175.17 176.86 3k2g h LEU 229 N 11.46 0.00 -1.79 -1.34 3.38 -1.92 -1.44 115.31 123.66 3k2g h LEU 229 Ca -0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.69 3k2g h LEU 229 Cb 1.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.82 3k2g h LEU 229 CO 1.17 0.00 0.00 -0.09 0.09 0.00 0.00 178.44 179.61 3k2g h ARG 230 N 0.00 0.00 -0.19 1.13 9.65 -1.86 -2.29 114.38 120.83 3k2g h ARG 230 Ca 0.06 0.00 -0.17 0.00 -1.10 0.00 0.00 59.98 58.77 3k2g h ARG 230 Cb 0.25 0.00 -0.21 0.00 -1.39 0.00 0.00 29.97 28.61 3k2g h ARG 230 CO -0.00 0.00 -0.75 0.72 2.80 0.00 0.00 179.97 182.74 3k2g n HIS 231 N -2.71 0.67 -4.51 2.20 8.25 -0.55 -4.81 115.22 113.76 3k2g n HIS 231 Ca -0.01 -1.47 -0.33 0.00 -0.26 0.00 0.00 57.72 55.64 3k2g n HIS 231 Cb 0.15 -0.24 -0.13 0.00 1.12 0.00 0.00 29.99 30.88 3k2g n HIS 231 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 3k2g s THR 232 N -2.82 3.59 -0.20 1.59 2.01 -0.86 -1.02 115.64 117.92 3k2g s THR 232 Ca 0.39 -0.47 -0.04 0.00 0.31 0.00 0.00 61.69 61.88 3k2g s THR 232 Cb 0.38 -2.55 -0.02 0.00 0.01 0.00 0.00 72.50 70.31 3k2g s THR 232 CO -0.07 0.50 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.64 3k2g s VAL 233 N 0.40 3.67 -0.38 3.82 1.01 0.18 -1.16 120.40 127.95 3k2g s VAL 233 Ca -0.06 -0.41 -0.17 0.00 0.00 0.00 0.00 61.98 61.34 3k2g s VAL 233 Cb -0.15 -2.65 0.00 0.00 0.00 0.00 0.00 36.38 33.59 3k2g s VAL 233 CO 0.04 0.44 0.43 -0.76 0.00 0.00 0.00 175.10 175.25 3k2g s LEU 234 N 1.04 4.57 0.60 3.92 1.43 -0.41 -0.46 118.68 129.36 3k2g s LEU 234 Ca 0.01 -0.34 -0.12 0.00 -1.03 0.00 0.00 54.13 52.65 3k2g s LEU 234 Cb -0.15 -2.43 -0.05 0.00 0.03 0.00 0.00 46.19 43.60 3k2g s LEU 234 CO 0.01 -0.47 1.01 0.00 0.23 0.00 0.00 176.35 177.13 3k2g n HIS 236 N -2.51 -4.60 0.00 0.00 8.25 -1.10 -3.62 115.22 111.63 3k2g n HIS 236 Ca 0.06 2.75 0.00 0.00 -0.26 0.00 0.00 57.72 60.27 3k2g n HIS 236 Cb 0.54 -3.58 0.00 0.00 1.12 0.00 0.00 29.99 28.07 3k2g n HIS 236 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 3k2g n ASN 238 N 1.90 0.00 0.31 0.41 3.02 -1.26 -4.20 115.26 115.44 3k2g n ASN 238 Ca 0.00 0.00 0.21 0.00 -0.03 0.00 0.00 54.58 54.76 3k2g n ASN 238 Cb 0.00 0.00 1.08 0.00 -0.61 0.00 0.00 39.78 40.25 3k2g n ASN 238 CO 0.00 0.00 0.00 -0.65 -2.62 0.00 0.00 177.26 173.99 3k2g h PRO 239 N 0.00 0.00 -0.59 3.52 0.11 -1.94 -2.44 132.00 130.65 3k2g h PRO 239 Ca 0.00 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 66.03 3k2g h PRO 239 Cb 0.00 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 31.06 3k2g h PRO 239 CO 0.00 0.00 0.10 -1.13 -0.21 0.00 0.00 178.00 176.76 3k2g n SER 240 N -2.97 5.12 -2.10 -2.05 3.41 -1.26 -4.87 113.62 108.91 3k2g n SER 240 Ca -0.02 -3.08 0.00 0.00 -0.26 0.00 0.00 58.87 55.51 3k2g n SER 240 Cb 0.09 -0.69 0.00 0.00 -0.26 0.00 0.00 64.21 63.35 3k2g n SER 240 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3k2g n HIS 241 N 0.15 0.00 -2.76 7.33 1.44 -0.92 -4.48 115.22 115.97 3k2g n HIS 241 Ca 0.32 0.00 -0.05 0.00 -2.01 0.00 0.00 57.72 55.98 3k2g n HIS 241 Cb 1.23 -0.21 0.00 0.00 0.12 0.00 0.00 29.99 31.13 3k2g n HIS 241 CO 0.00 0.00 0.00 -3.47 -2.81 0.00 0.00 176.34 170.06 3k2g n ASP 243 N 1.81 -0.96 -0.12 4.39 -0.08 -1.26 -4.73 116.55 115.61 3k2g n ASP 243 Ca 0.00 -0.20 0.12 0.00 -1.51 0.00 0.00 54.79 53.20 3k2g n ASP 243 Cb 0.00 -0.32 0.48 0.00 2.34 0.00 0.00 41.12 43.62 3k2g n ASP 243 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 3k2g h PRO 244 N 0.74 0.46 -0.04 -0.67 0.13 -2.00 -1.82 132.00 128.80 3k2g h PRO 244 Ca -0.13 -0.03 -0.00 0.00 -0.87 0.00 0.00 66.00 64.97 3k2g h PRO 244 Cb 0.28 -0.10 -0.00 0.00 0.13 0.00 0.00 31.00 31.31 3k2g h PRO 244 CO 0.07 0.30 0.01 0.28 -0.23 0.00 0.00 178.00 178.44 3k2g h VAL 245 N 0.47 1.19 0.12 1.56 2.07 -1.97 0.57 116.25 120.26 3k2g h VAL 245 Ca 0.31 -0.55 0.02 0.00 0.82 0.00 0.00 66.70 67.29 3k2g h VAL 245 Cb 0.57 1.49 -0.04 0.00 -1.52 0.00 0.00 31.29 31.80 3k2g h VAL 245 CO -0.09 0.15 -0.28 0.22 0.02 0.00 0.00 177.57 177.58 3k2g h TYR 246 N -0.16 -0.77 -0.47 1.57 3.20 -1.82 -0.20 116.97 118.33 3k2g h TYR 246 Ca 0.01 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.89 3k2g h TYR 246 Cb 0.23 0.32 -0.02 0.00 1.54 0.00 0.00 36.73 38.80 3k2g h TYR 246 CO 0.00 -0.39 0.24 1.96 -1.64 0.00 0.00 178.16 178.34 3k2g h GLN 247 N -0.50 0.66 -0.66 1.82 4.20 -1.30 -2.54 115.11 116.78 3k2g h GLN 247 Ca 0.03 -0.08 -0.08 0.00 0.06 0.00 0.00 58.65 58.57 3k2g h GLN 247 Cb 0.53 -0.12 -0.03 0.00 0.30 0.00 0.00 27.48 28.16 3k2g h GLN 247 CO -0.16 0.53 0.09 0.00 -0.67 0.00 0.00 178.83 178.61 3k2g h ALA 248 N 1.09 0.89 0.00 3.87 0.00 -0.73 -1.84 119.26 122.54 3k2g h ALA 248 Ca 0.16 -0.28 -0.06 0.00 0.00 0.00 0.00 54.91 54.73 3k2g h ALA 248 Cb 0.08 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 3k2g h ALA 248 CO -0.02 0.67 -0.28 1.79 0.00 0.00 0.00 179.25 181.41 3k2g h THR 249 N 1.03 0.95 -0.12 0.00 1.35 -0.91 0.58 112.91 115.79 3k2g h THR 249 Ca 0.20 -1.06 -0.19 0.00 -0.55 0.00 0.00 66.41 64.80 3k2g h THR 249 Cb 0.47 1.62 0.01 0.00 -1.73 0.00 0.00 68.15 68.52 3k2g h THR 249 CO 0.02 0.28 -0.68 -0.07 -0.25 0.00 0.00 175.52 174.82 3k2g h LEU 250 N 0.00 0.80 -0.68 3.87 3.38 -1.16 -2.69 115.31 118.83 3k2g h LEU 250 Ca -0.00 -0.65 -0.04 0.00 0.09 0.00 0.00 57.88 57.28 3k2g h LEU 250 Cb 0.60 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.08 3k2g h LEU 250 CO 0.04 1.32 0.27 0.00 0.09 0.00 0.00 178.44 180.15 3k2g h ALA 251 N 0.50 0.88 -0.46 1.53 0.00 -0.76 -2.51 119.26 118.43 3k2g h ALA 251 Ca -0.05 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.68 3k2g h ALA 251 Cb 1.32 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 3k2g h ALA 251 CO 0.14 0.50 0.28 0.37 0.00 0.00 0.00 179.25 180.54 3k2g h GLN 252 N 0.96 0.61 0.00 0.00 5.75 -0.87 0.13 115.11 121.68 3k2g h GLN 252 Ca 0.23 -0.04 0.00 0.00 -0.15 0.00 0.00 58.65 58.68 3k2g h GLN 252 Cb 0.21 -0.13 0.00 0.00 1.07 0.00 0.00 27.48 28.62 3k2g h GLN 252 CO -0.02 0.42 0.00 0.00 -2.65 0.00 0.00 178.83 176.58 3k2g h ARG 253 N 0.62 0.00 0.00 1.69 3.08 -1.10 -3.46 114.38 115.21 3k2g h ARG 253 Ca 0.17 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.22 3k2g h ARG 253 Cb -0.04 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.01 3k2g h ARG 253 CO -0.03 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.28 3k2g n GLY 254 N -0.24 1.42 3.79 0.04 0.00 0.44 -4.75 105.19 105.90 3k2g n GLY 254 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 3k2g n GLY 254 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k2g s ALA 255 N -2.05 2.81 0.30 4.61 0.00 -1.20 -4.06 121.76 122.18 3k2g s ALA 255 Ca 0.00 0.62 -0.28 0.00 0.00 0.00 0.00 51.96 52.30 3k2g s ALA 255 Cb 0.00 -3.27 -0.09 0.00 0.00 0.00 0.00 23.12 19.75 3k2g s ALA 255 CO 0.00 -0.49 0.97 -0.06 0.00 0.00 0.00 175.76 176.18 3k2g s PHE 256 N -2.01 3.75 -0.36 0.00 0.08 -0.31 -4.39 117.98 114.73 3k2g s PHE 256 Ca 0.68 1.81 -0.09 0.00 0.12 0.00 0.00 56.93 59.45 3k2g s PHE 256 Cb -0.18 -3.00 0.04 0.00 -0.57 0.00 0.00 43.02 39.31 3k2g s PHE 256 CO 0.24 0.15 0.16 -0.51 -0.10 0.00 0.00 175.22 175.16 3k2g s LEU 257 N -1.74 4.57 -0.41 -0.37 1.43 0.12 -1.28 118.68 121.00 3k2g s LEU 257 Ca 0.47 -1.11 -0.18 0.00 -1.03 0.00 0.00 54.13 52.29 3k2g s LEU 257 Cb -0.23 -1.95 0.02 0.00 0.03 0.00 0.00 46.19 44.06 3k2g s LEU 257 CO 0.29 -0.37 0.47 -0.70 0.23 0.00 0.00 176.35 176.26 3k2g s GLU 258 N 1.47 3.22 -1.20 1.70 2.12 -0.21 -1.68 118.70 124.12 3k2g s GLU 258 Ca 0.00 -0.61 -0.10 0.00 0.36 0.00 0.00 54.97 54.63 3k2g s GLU 258 Cb -0.20 -3.93 0.21 0.00 0.26 0.00 0.00 34.13 30.47 3k2g s GLU 258 CO 0.05 -0.82 1.56 1.19 -0.54 0.00 0.00 175.26 176.70 3k2g n PHE 259 N 5.69 3.81 -2.17 5.30 3.72 0.12 -2.73 117.46 131.20 3k2g n PHE 259 Ca -0.06 -3.10 -0.41 0.00 -0.05 0.00 0.00 57.45 53.82 3k2g n PHE 259 Cb 0.48 -1.88 0.00 0.00 -0.94 0.00 0.00 39.48 37.14 3k2g n PHE 259 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 3k2g n ASP 260 N 3.85 6.24 0.00 4.37 5.68 -1.26 -2.05 116.55 133.38 3k2g n ASP 260 Ca 0.34 -3.10 0.00 0.00 -0.50 0.00 0.00 54.79 51.53 3k2g n ASP 260 Cb 0.38 -1.44 0.00 0.00 -1.14 0.00 0.00 41.12 38.92 3k2g n ASP 260 CO 0.00 0.00 0.00 -0.38 -1.33 0.00 0.00 177.20 175.49 3k2g n ILE 262 N 2.78 0.00 -0.39 2.12 2.08 -0.91 -1.55 119.36 123.49 3k2g n ILE 262 Ca 0.49 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.80 3k2g n ILE 262 Cb 0.32 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.21 3k2g n ILE 262 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3k2g n GLY 263 N 2.35 0.65 0.00 7.39 0.00 -1.26 -4.51 105.19 109.81 3k2g n GLY 263 Ca 0.00 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.39 3k2g n GLY 263 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3k2g n ASP 265 N -0.30 0.00 -4.86 1.61 5.75 -1.26 -4.96 116.55 112.52 3k2g n ASP 265 Ca 0.00 0.00 -0.30 0.00 -0.01 0.00 0.00 54.79 54.48 3k2g n ASP 265 Cb 0.13 0.00 0.04 0.00 -1.03 0.00 0.00 41.12 40.26 3k2g n ASP 265 CO 0.00 0.00 0.00 -0.36 -0.11 0.00 0.00 177.20 176.73 3k2g s PHE 266 N 0.00 3.32 -0.21 2.11 0.08 -1.26 -4.72 117.98 117.29 3k2g s PHE 266 Ca 0.00 1.19 -0.03 0.00 0.12 0.00 0.00 56.93 58.20 3k2g s PHE 266 Cb 0.00 -2.95 -0.01 0.00 -0.57 0.00 0.00 43.02 39.50 3k2g s PHE 266 CO 0.00 -1.13 -0.06 0.12 -0.10 0.00 0.00 175.22 174.05 3k2g s PHE 267 N -3.23 2.94 -0.85 0.36 5.36 -0.77 -1.68 117.98 120.11 3k2g s PHE 267 Ca 0.58 -0.98 -0.19 0.00 -0.96 0.00 0.00 56.93 55.38 3k2g s PHE 267 Cb -0.12 -2.08 0.12 0.00 -0.34 0.00 0.00 43.02 40.61 3k2g s PHE 267 CO 0.53 -0.55 1.06 0.71 -1.46 0.00 0.00 175.22 175.51 3k2g s TYR 268 N 1.40 3.05 0.30 10.12 2.02 0.32 -3.20 117.35 131.35 3k2g s TYR 268 Ca 0.05 -1.22 0.05 0.00 -0.37 0.00 0.00 57.07 55.57 3k2g s TYR 268 Cb -0.14 -4.25 0.79 0.00 -0.40 0.00 0.00 41.96 37.95 3k2g s TYR 268 CO -0.04 -1.49 1.67 0.00 -1.57 0.00 0.00 175.55 174.12 3k2g h ALA 269 N 8.97 1.46 0.10 3.71 0.00 -1.84 0.86 119.26 132.51 3k2g h ALA 269 Ca 0.04 0.20 0.02 0.00 0.00 0.00 0.00 54.91 55.17 3k2g h ALA 269 Cb 1.04 0.23 -0.04 0.00 0.00 0.00 0.00 17.79 19.02 3k2g h ALA 269 CO 1.11 -0.44 -0.28 0.38 0.00 0.00 0.00 179.25 180.02 3k2g h ASP 270 N 0.30 -0.80 1.38 0.00 2.03 -1.92 -2.96 116.42 114.45 3k2g h ASP 270 Ca 0.59 0.09 -0.07 0.00 -0.73 0.00 0.00 57.03 56.91 3k2g h ASP 270 Cb 1.20 0.31 -0.01 0.00 -0.83 0.00 0.00 39.33 40.00 3k2g h ASP 270 CO -0.60 -0.36 -0.64 1.56 -1.03 0.00 0.00 179.24 178.16 3k2g h GLN 271 N -0.48 0.00 -0.94 4.15 4.20 -1.76 -3.47 115.11 116.80 3k2g h GLN 271 Ca 0.04 0.00 -0.11 0.00 0.06 0.00 0.00 58.65 58.64 3k2g h GLN 271 Cb 0.52 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.30 3k2g h GLN 271 CO -0.17 0.23 -0.14 0.41 -0.67 0.00 0.00 178.83 178.49 3k2g n GLY 272 N 1.22 0.20 3.47 3.46 0.00 0.29 -5.04 105.19 108.79 3k2g n GLY 272 Ca -0.00 -0.64 -0.29 0.00 0.00 0.00 0.00 46.02 45.09 3k2g n GLY 272 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3k2g s VAL 273 N -2.36 2.73 -0.12 1.61 -7.23 -1.14 -4.96 120.40 108.93 3k2g s VAL 273 Ca 0.02 -1.54 0.01 0.00 -1.81 0.00 0.00 61.98 58.66 3k2g s VAL 273 Cb -0.01 -2.24 -0.01 0.00 0.56 0.00 0.00 36.38 34.68 3k2g s VAL 273 CO 0.02 0.11 -0.15 -1.58 -0.31 0.00 0.00 175.10 173.19 3k2g s GLN 274 N -2.09 3.24 0.19 4.82 2.00 -1.26 -0.52 119.66 126.03 3k2g s GLN 274 Ca 0.17 -0.71 -0.30 0.00 -2.00 0.00 0.00 55.36 52.52 3k2g s GLN 274 Cb -0.10 -2.56 -0.08 0.00 0.80 0.00 0.00 33.01 31.07 3k2g s GLN 274 CO 0.09 0.26 1.24 0.00 -0.50 0.00 0.00 175.29 176.38 3k2g s PRO 276 N -0.22 1.36 0.53 0.00 0.04 -1.26 -4.73 135.00 130.71 3k2g s PRO 276 Ca 0.54 0.82 -0.10 0.00 0.04 0.00 0.00 61.00 62.30 3k2g s PRO 276 Cb -0.34 -1.82 -0.05 0.00 0.04 0.00 0.00 34.50 32.33 3k2g s PRO 276 CO 0.37 -2.17 0.91 -1.54 0.04 0.00 0.00 177.00 174.62 3k2g s SER 277 N -3.45 6.34 0.47 6.66 1.04 -1.26 -4.72 113.70 118.78 3k2g s SER 277 Ca 0.63 1.26 0.19 0.00 0.48 0.00 0.00 55.95 58.51 3k2g s SER 277 Cb -0.18 -2.39 1.16 0.00 0.10 0.00 0.00 66.02 64.71 3k2g s SER 277 CO 0.57 -0.67 2.02 0.44 0.98 0.00 0.00 173.24 176.57 3k2g h ASP 278 N 0.26 0.00 -0.36 7.02 3.32 -1.97 -1.99 116.42 122.69 3k2g h ASP 278 Ca -0.46 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.48 3k2g h ASP 278 Cb 1.19 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.73 3k2g h ASP 278 CO 0.62 0.17 -0.23 0.44 -1.72 0.00 0.00 179.24 178.52 3k2g h ASP 279 N 0.00 0.82 -0.81 6.45 3.32 -1.99 0.13 116.42 124.35 3k2g h ASP 279 Ca -0.00 -0.43 -0.04 0.00 0.02 0.00 0.00 57.03 56.58 3k2g h ASP 279 Cb 0.34 -0.23 -0.04 0.00 0.22 0.00 0.00 39.33 39.62 3k2g h ASP 279 CO 0.02 1.07 0.35 -0.33 -1.72 0.00 0.00 179.24 178.63 3k2g h GLU 280 N 0.58 1.19 -0.33 3.56 5.08 -1.78 -1.43 114.58 121.44 3k2g h GLU 280 Ca 0.07 -0.20 -0.12 0.00 -1.00 0.00 0.00 59.36 58.12 3k2g h GLU 280 Cb 0.79 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.83 3k2g h GLU 280 CO 0.06 0.94 -0.24 0.28 -1.00 0.00 0.00 179.01 179.05 3k2g h VAL 281 N 1.16 1.29 -0.55 3.13 2.07 -1.26 -2.29 116.25 119.80 3k2g h VAL 281 Ca 0.27 -1.39 0.06 0.00 0.82 0.00 0.00 66.70 66.45 3k2g h VAL 281 Cb 0.18 1.45 -0.05 0.00 -1.52 0.00 0.00 31.29 31.35 3k2g h VAL 281 CO -0.03 0.45 0.26 0.00 0.02 0.00 0.00 177.57 178.28 3k2g h ALA 282 N 0.75 0.71 -0.83 1.67 0.00 -0.44 0.23 119.26 121.35 3k2g h ALA 282 Ca 0.06 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 3k2g h ALA 282 Cb 0.81 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.51 3k2g h ALA 282 CO 0.07 -0.10 0.39 0.00 0.00 0.00 0.00 179.25 179.61 3k2g h ARG 283 N 0.50 1.19 -0.61 0.00 3.08 -1.16 0.21 114.38 117.60 3k2g h ARG 283 Ca 0.25 -0.18 -0.06 0.00 0.07 0.00 0.00 59.98 60.06 3k2g h ARG 283 Cb 0.20 -0.21 -0.03 0.00 0.08 0.00 0.00 29.97 30.01 3k2g h ARG 283 CO -0.19 0.92 0.14 0.00 -1.07 0.00 0.00 179.97 179.76 3k2g h ALA 284 N 1.25 1.09 -0.43 0.04 0.00 -0.74 -1.23 119.26 119.24 3k2g h ALA 284 Ca 0.28 -0.23 -0.08 0.00 0.00 0.00 0.00 54.91 54.88 3k2g h ALA 284 Cb 0.13 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3k2g h ALA 284 CO -0.03 0.60 -0.05 0.82 0.00 0.00 0.00 179.25 180.59 3k2g h ILE 285 N 0.91 1.27 -0.40 0.00 2.04 -0.40 -0.72 117.51 120.21 3k2g h ILE 285 Ca 0.19 -1.12 0.03 0.00 1.00 0.00 0.00 64.86 64.96 3k2g h ILE 285 Cb 0.34 1.13 -0.03 0.00 -0.74 0.00 0.00 36.82 37.52 3k2g h ILE 285 CO 0.00 0.38 0.21 -0.07 0.00 0.00 0.00 178.15 178.67 3k2g h LEU 286 N 0.62 0.32 -0.17 1.44 4.07 -0.62 -0.68 115.31 120.29 3k2g h LEU 286 Ca 0.11 0.01 -0.00 0.00 0.08 0.00 0.00 57.88 58.09 3k2g h LEU 286 Cb 0.56 -0.05 -0.01 0.00 1.08 0.00 0.00 40.66 42.25 3k2g h LEU 286 CO 0.03 0.23 0.10 1.23 -1.08 0.00 0.00 178.44 178.95 3k2g h GLY 287 N 0.43 0.25 0.56 0.83 0.00 -1.05 0.16 103.07 104.24 3k2g h GLY 287 Ca 0.17 -0.10 0.09 0.00 0.00 0.00 0.00 47.33 47.48 3k2g h GLY 287 CO -0.10 0.10 0.46 1.41 0.00 0.00 0.00 176.54 178.40 3k2g h LEU 288 N 0.19 0.66 -0.37 3.11 3.38 -0.78 -1.30 115.31 120.21 3k2g h LEU 288 Ca 0.06 0.04 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 3k2g h LEU 288 Cb 0.03 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 3k2g h LEU 288 CO -0.01 0.39 0.12 0.00 0.09 0.00 0.00 178.44 179.03 3k2g h ALA 289 N 1.44 0.48 -0.42 1.53 0.00 -0.58 -1.77 119.26 119.94 3k2g h ALA 289 Ca 0.38 -0.16 0.12 0.00 0.00 0.00 0.00 54.91 55.25 3k2g h ALA 289 Cb 0.32 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 3k2g h ALA 289 CO -0.23 0.11 0.33 -0.44 0.00 0.00 0.00 179.25 179.03 3k2g h ASP 290 N 0.45 0.00 -0.26 0.00 3.32 0.36 0.21 116.42 120.50 3k2g h ASP 290 Ca 0.12 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.17 3k2g h ASP 290 Cb 0.24 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.79 3k2g h ASP 290 CO -0.01 0.00 0.00 1.41 -1.72 0.00 0.00 179.24 178.92 3k2g n HIS 291 N -4.18 0.34 -0.82 4.55 8.25 -0.63 -4.94 115.22 117.78 3k2g n HIS 291 Ca 0.07 -0.17 0.00 0.00 -0.26 0.00 0.00 57.72 57.36 3k2g n HIS 291 Cb 0.53 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.64 3k2g n HIS 291 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3k2g n GLY 292 N 1.23 0.70 0.93 -1.41 0.00 0.75 -4.99 105.19 102.40 3k2g n GLY 292 Ca 0.17 -0.67 0.02 0.00 0.00 0.00 0.00 46.02 45.54 3k2g n GLY 292 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3k2g n TYR 293 N -2.72 0.88 -0.24 1.61 4.01 -0.72 -4.73 117.16 115.26 3k2g n TYR 293 Ca 0.00 -1.27 0.03 0.00 -0.16 0.00 0.00 57.90 56.50 3k2g n TYR 293 Cb 0.09 -0.38 0.27 0.00 -0.31 0.00 0.00 39.34 39.00 3k2g n TYR 293 CO 0.00 0.00 0.00 1.25 -0.46 0.00 0.00 176.86 177.65 3k2g h LEU 294 N 1.18 0.83 0.00 7.72 5.85 -1.80 -1.95 115.31 127.14 3k2g h LEU 294 Ca 0.11 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.82 3k2g h LEU 294 Cb 1.49 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 42.33 3k2g h LEU 294 CO 0.28 0.56 0.00 -0.90 -0.34 0.00 0.00 178.44 178.04 3k2g n ASP 295 N -4.46 0.00 -0.43 1.25 5.68 -1.26 -2.26 116.55 115.07 3k2g n ASP 295 Ca 0.11 -0.82 0.05 0.00 -0.50 0.00 0.00 54.79 53.63 3k2g n ASP 295 Cb 0.14 0.00 0.05 0.00 -1.14 0.00 0.00 41.12 40.16 3k2g n ASP 295 CO 0.00 0.00 0.00 -1.14 -1.33 0.00 0.00 177.20 174.73 3k2g n ARG 296 N -0.86 0.51 -3.28 0.11 3.00 -0.73 -4.86 116.66 110.55 3k2g n ARG 296 Ca 0.11 -1.15 -0.38 0.00 -0.00 0.00 0.00 57.85 56.43 3k2g n ARG 296 Cb 0.05 -1.21 -0.06 0.00 0.00 0.00 0.00 32.46 31.24 3k2g n ARG 296 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 3k2g s ILE 297 N -0.90 5.15 0.08 5.15 1.01 -0.96 0.13 121.20 130.87 3k2g s ILE 297 Ca 0.13 0.96 0.09 0.00 0.00 0.00 0.00 60.65 61.83 3k2g s ILE 297 Cb 0.09 -3.83 -0.03 0.00 0.01 0.00 0.00 42.46 38.70 3k2g s ILE 297 CO 0.13 0.27 -0.24 -0.76 0.00 0.00 0.00 174.94 174.34 3k2g s LEU 298 N 1.03 2.24 -0.01 2.97 1.43 -0.68 -4.79 118.68 120.87 3k2g s LEU 298 Ca 0.25 -0.64 0.04 0.00 -1.03 0.00 0.00 54.13 52.75 3k2g s LEU 298 Cb -0.15 -1.10 -0.01 0.00 0.03 0.00 0.00 46.19 44.95 3k2g s LEU 298 CO 0.10 0.17 -0.13 -0.76 0.23 0.00 0.00 176.35 175.96 3k2g s LEU 299 N -1.61 2.01 0.22 1.79 1.43 -1.26 0.11 118.68 121.37 3k2g s LEU 299 Ca 0.10 -0.25 -0.21 0.00 -1.03 0.00 0.00 54.13 52.75 3k2g s LEU 299 Cb -0.10 -0.70 0.07 0.00 0.03 0.00 0.00 46.19 45.50 3k2g s LEU 299 CO 0.04 0.16 0.99 -0.55 0.23 0.00 0.00 176.35 177.22 3k2g s SER 300 N -0.28 0.01 -0.06 2.29 0.15 -0.87 -4.73 113.70 110.20 3k2g s SER 300 Ca 0.05 -0.76 0.16 0.00 0.70 0.00 0.00 55.95 56.09 3k2g s SER 300 Cb -0.06 0.56 -0.23 0.00 -1.71 0.00 0.00 66.02 64.58 3k2g s SER 300 CO -0.00 -1.12 0.26 1.41 1.20 0.00 0.00 173.24 174.99 3k2g n HIS 301 N -0.67 0.00 -3.59 3.44 -0.00 -1.19 -2.13 115.22 111.07 3k2g n HIS 301 Ca -0.04 0.00 -0.22 0.00 -0.00 0.00 0.00 57.72 57.47 3k2g n HIS 301 Cb 0.59 -0.49 0.07 0.00 -0.00 0.00 0.00 29.99 30.16 3k2g n HIS 301 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.34 172.87 3k2g n ASP 302 N -2.23 -3.72 -4.68 0.41 2.03 -0.60 -4.53 116.55 103.24 3k2g n ASP 302 Ca -0.10 -0.64 -0.45 0.00 0.52 0.00 0.00 54.79 54.12 3k2g n ASP 302 Cb 0.61 -4.78 -0.04 0.00 -0.72 0.00 0.00 41.12 36.19 3k2g n ASP 302 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 3k2g n VAL 303 N -4.52 0.55 -1.23 5.18 0.31 -1.26 -4.77 118.33 112.59 3k2g n VAL 303 Ca -0.15 -0.10 0.00 0.00 -0.01 0.00 0.00 64.34 64.08 3k2g n VAL 303 Cb 0.62 -2.06 0.00 0.00 -0.91 0.00 0.00 33.84 31.49 3k2g n VAL 303 CO 0.00 0.00 0.00 2.22 -1.32 0.00 0.00 176.83 177.73 3k2g n PHE 304 N 6.45 0.00 -3.87 3.52 1.16 -1.26 -2.06 117.46 121.41 3k2g n PHE 304 Ca 0.20 0.00 -0.11 0.00 -1.87 0.00 0.00 57.45 55.68 3k2g n PHE 304 Cb 0.35 0.02 -0.09 0.00 -1.61 0.00 0.00 39.48 38.15 3k2g n PHE 304 CO 0.00 0.00 0.00 0.14 -1.87 0.00 0.00 176.76 175.03 3k2g s VAL 305 N 0.00 0.10 -0.78 1.97 -7.23 -1.26 -4.63 120.40 108.58 3k2g s VAL 305 Ca 0.00 -0.85 -0.25 0.00 -1.81 0.00 0.00 61.98 59.07 3k2g s VAL 305 Cb 0.00 -0.74 -0.17 0.00 0.56 0.00 0.00 36.38 36.03 3k2g s VAL 305 CO 0.00 -0.47 2.45 0.29 -0.31 0.00 0.00 175.10 177.06 3k2g n LYS 306 N 0.98 0.48 0.00 4.82 5.02 -0.56 -4.99 118.16 123.92 3k2g n LYS 306 Ca -0.20 -0.18 0.00 0.00 -2.02 0.00 0.00 58.31 55.90 3k2g n LYS 306 Cb 0.58 -2.57 0.00 0.00 -0.02 0.00 0.00 35.03 33.01 3k2g n LYS 306 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3k2g n LEU 309 N 13.37 -0.01 -0.01 -0.35 4.77 -1.26 -4.50 117.00 129.02 3k2g n LEU 309 Ca 0.52 0.00 0.04 0.00 -0.03 0.00 0.00 56.01 56.54 3k2g n LEU 309 Cb 0.32 0.03 0.41 0.00 -2.33 0.00 0.00 43.42 41.84 3k2g n LEU 309 CO 0.80 0.00 1.15 0.71 -1.33 0.00 0.00 177.39 178.72 3k2g h THR 310 N 0.00 1.12 -0.48 -5.08 1.35 -1.84 0.13 112.91 108.11 3k2g h THR 310 Ca 0.00 -0.24 0.14 0.00 -0.55 0.00 0.00 66.41 65.76 3k2g h THR 310 Cb 0.00 0.52 -0.02 0.00 -1.73 0.00 0.00 68.15 66.92 3k2g h THR 310 CO 0.00 0.12 0.37 -0.09 -0.25 0.00 0.00 175.52 175.66 3k2g h ARG 311 N 0.56 0.00 -0.42 4.72 9.65 -1.91 -0.61 114.38 126.38 3k2g h ARG 311 Ca 0.15 0.00 -0.10 0.00 -1.10 0.00 0.00 59.98 58.93 3k2g h ARG 311 Cb -0.04 0.00 -0.06 0.00 -1.39 0.00 0.00 29.97 28.48 3k2g h ARG 311 CO -0.03 0.00 0.06 0.66 2.80 0.00 0.00 179.97 183.46 3k2g n TYR 312 N -4.29 1.40 -0.59 2.20 4.01 -0.41 -4.92 117.16 114.57 3k2g n TYR 312 Ca 0.09 -1.13 0.00 0.00 -0.16 0.00 0.00 57.90 56.69 3k2g n TYR 312 Cb 0.58 -0.46 0.00 0.00 -0.31 0.00 0.00 39.34 39.15 3k2g n TYR 312 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3k2g n GLY 313 N -0.55 0.76 0.84 2.72 0.00 -0.24 -4.90 105.19 103.81 3k2g n GLY 313 Ca 0.30 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.26 3k2g n GLY 313 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k2g n GLY 314 N -2.26 0.35 0.14 -0.02 0.00 0.34 -4.93 105.19 98.81 3k2g n GLY 314 Ca 0.00 -1.91 0.06 0.00 0.00 0.00 0.00 46.02 44.17 3k2g n GLY 314 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3k2g h ASN 315 N -0.18 0.00 0.00 1.61 -0.26 -1.93 -3.27 115.58 111.55 3k2g h ASN 315 Ca -0.08 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.66 3k2g h ASN 315 Cb 0.26 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.52 3k2g h ASN 315 CO 0.07 0.29 0.00 0.61 -1.06 0.00 0.00 177.43 177.34 3k2g n GLY 316 N 1.23 -0.97 0.70 2.83 0.00 -1.26 -3.92 105.19 103.81 3k2g n GLY 316 Ca -0.01 -1.20 0.11 0.00 0.00 0.00 0.00 46.02 44.91 3k2g n GLY 316 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3k2g n TYR 317 N 0.00 0.00 -0.00 1.61 4.01 -1.26 -4.35 117.16 117.17 3k2g n TYR 317 Ca 0.00 0.00 0.08 0.00 -0.16 0.00 0.00 57.90 57.82 3k2g n TYR 317 Cb 0.00 0.00 0.17 0.00 -0.31 0.00 0.00 39.34 39.20 3k2g n TYR 317 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3k2g n ALA 318 N 0.66 2.30 -0.02 -0.72 0.00 -1.26 -4.64 120.51 116.83 3k2g n ALA 318 Ca 0.11 -1.04 -0.12 0.00 0.00 0.00 0.00 53.44 52.39 3k2g n ALA 318 Cb 0.51 -0.57 -0.08 0.00 0.00 0.00 0.00 19.45 19.31 3k2g n ALA 318 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 3k2g h PHE 319 N 2.82 0.15 -0.35 0.00 3.57 -1.76 -0.80 116.94 120.58 3k2g h PHE 319 Ca 0.00 -0.03 0.06 0.00 3.53 0.00 0.00 57.97 61.53 3k2g h PHE 319 Cb 0.77 -0.04 -0.06 0.00 2.79 0.00 0.00 35.95 39.41 3k2g h PHE 319 CO 0.23 0.42 -0.00 0.28 -2.23 0.00 0.00 178.31 177.01 3k2g h VAL 320 N -0.16 0.74 -0.27 1.41 2.07 -1.90 0.32 116.25 118.45 3k2g h VAL 320 Ca 0.02 -0.03 -0.05 0.00 0.82 0.00 0.00 66.70 67.46 3k2g h VAL 320 Cb 0.37 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 30.76 3k2g h VAL 320 CO 0.01 0.02 -0.03 0.74 0.02 0.00 0.00 177.57 178.32 3k2g h THR 321 N 0.09 1.27 0.06 2.57 2.02 -1.86 -0.95 112.91 116.10 3k2g h THR 321 Ca 0.17 -1.00 -0.26 0.00 0.77 0.00 0.00 66.41 66.09 3k2g h THR 321 Cb 0.23 1.38 -0.02 0.00 -1.74 0.00 0.00 68.15 68.01 3k2g h THR 321 CO -0.29 0.32 -1.27 0.50 0.37 0.00 0.00 175.52 175.14 3k2g h LYS 322 N 0.26 0.12 0.00 6.66 3.64 -0.97 -3.39 116.57 122.89 3k2g h LYS 322 Ca 0.07 -0.21 -0.05 0.00 -1.27 0.00 0.00 60.65 59.20 3k2g h LYS 322 Cb 0.48 0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.37 3k2g h LYS 322 CO 0.02 1.01 -1.18 0.72 -2.27 0.00 0.00 179.45 177.75 3k2g n HIS 323 N -3.38 0.00 -0.05 1.91 8.25 0.11 -4.64 115.22 117.42 3k2g n HIS 323 Ca -0.08 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.22 3k2g n HIS 323 Cb 1.00 -0.12 -0.07 0.00 1.12 0.00 0.00 29.99 31.91 3k2g n HIS 323 CO 0.00 0.00 0.00 0.35 0.64 0.00 0.00 176.34 177.33 3k2g h PHE 324 N 0.00 0.86 -0.41 4.41 3.57 -0.93 -2.88 116.94 121.56 3k2g h PHE 324 Ca -0.07 -0.35 0.07 0.00 3.53 0.00 0.00 57.97 61.15 3k2g h PHE 324 Cb 1.12 -0.15 -0.06 0.00 2.79 0.00 0.00 35.95 39.65 3k2g h PHE 324 CO 0.00 1.14 0.05 -0.07 -2.23 0.00 0.00 178.31 177.20 3k2g h LEU 325 N 0.34 -0.06 -1.61 0.59 3.38 -1.39 0.93 115.31 117.49 3k2g h LEU 325 Ca -0.02 0.08 0.03 0.00 0.09 0.00 0.00 57.88 58.07 3k2g h LEU 325 Cb 1.15 0.12 -0.03 0.00 0.09 0.00 0.00 40.66 42.00 3k2g h LEU 325 CO 0.11 0.00 0.31 -0.65 0.09 0.00 0.00 178.44 178.31 3k2g h PRO 326 N 0.17 0.49 -0.44 1.13 0.11 -1.82 -0.78 132.00 130.86 3k2g h PRO 326 Ca 0.20 -0.03 -0.08 0.00 0.11 0.00 0.00 66.00 66.20 3k2g h PRO 326 Cb 0.26 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 31.24 3k2g h PRO 326 CO -0.29 0.33 -0.05 -0.09 -0.21 0.00 0.00 178.00 177.69 3k2g h ARG 327 N 0.51 0.81 -0.10 1.05 2.43 -0.70 -0.94 114.38 117.44 3k2g h ARG 327 Ca 0.19 -0.28 -0.03 0.00 -0.81 0.00 0.00 59.98 59.05 3k2g h ARG 327 Cb 0.13 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.61 3k2g h ARG 327 CO -0.05 0.90 -0.09 -0.07 -1.51 0.00 0.00 179.97 179.15 3k2g h LEU 328 N 0.65 0.13 -0.21 3.80 3.38 0.17 -1.36 115.31 121.87 3k2g h LEU 328 Ca 0.12 -0.02 -0.13 0.00 0.09 0.00 0.00 57.88 57.94 3k2g h LEU 328 Cb 0.56 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.28 3k2g h LEU 328 CO 0.03 0.24 -0.39 -0.09 0.09 0.00 0.00 178.44 178.32 3k2g h ARG 329 N 0.14 0.63 -0.03 1.13 2.43 -0.68 -1.53 114.38 116.47 3k2g h ARG 329 Ca 0.03 -0.40 0.01 0.00 -0.81 0.00 0.00 59.98 58.81 3k2g h ARG 329 Cb 0.25 0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 29.85 3k2g h ARG 329 CO 0.01 1.02 0.03 0.00 -1.51 0.00 0.00 179.97 179.52 3k2g h ARG 330 N 0.32 0.00 0.00 0.20 3.08 -0.32 -0.21 114.38 117.45 3k2g h ARG 330 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.06 3k2g h ARG 330 Cb 0.99 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.04 3k2g h ARG 330 CO 0.09 0.00 -0.15 0.72 -1.07 0.00 0.00 179.97 179.56 3k2g n HIS 331 N -4.29 0.25 0.00 3.04 8.25 -0.60 -4.93 115.22 116.94 3k2g n HIS 331 Ca -0.02 0.07 0.00 0.00 -0.26 0.00 0.00 57.72 57.51 3k2g n HIS 331 Cb 0.12 -0.56 0.00 0.00 1.12 0.00 0.00 29.99 30.67 3k2g n HIS 331 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3k2g n GLY 332 N 1.44 0.97 3.76 -1.41 0.00 -0.09 -5.06 105.19 104.80 3k2g n GLY 332 Ca 0.06 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.68 3k2g n GLY 332 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3k2g s LEU 333 N 0.00 4.56 0.63 0.99 1.43 -0.61 -4.99 118.68 120.69 3k2g s LEU 333 Ca 0.00 1.71 -0.01 0.00 -1.03 0.00 0.00 54.13 54.79 3k2g s LEU 333 Cb 0.00 -3.41 0.06 0.00 0.03 0.00 0.00 46.19 42.87 3k2g s LEU 333 CO 0.00 0.11 0.89 1.51 0.23 0.00 0.00 176.35 179.09 3k2g s ASP 334 N -0.73 4.92 0.46 2.29 1.47 -1.26 -4.16 116.67 119.65 3k2g s ASP 334 Ca 0.40 0.03 0.16 0.00 1.18 0.00 0.00 52.55 54.32 3k2g s ASP 334 Cb -0.23 -0.73 1.12 0.00 -0.34 0.00 0.00 42.92 42.74 3k2g s ASP 334 CO 0.28 -1.44 1.99 -2.24 0.68 0.00 0.00 175.17 174.43 3k2g h ASP 335 N -0.26 0.27 -0.60 2.11 2.03 -1.99 -0.97 116.42 117.03 3k2g h ASP 335 Ca -0.41 0.01 -0.03 0.00 -0.73 0.00 0.00 57.03 55.86 3k2g h ASP 335 Cb 1.29 -0.05 -0.03 0.00 -0.83 0.00 0.00 39.33 39.72 3k2g h ASP 335 CO 0.51 0.16 0.26 0.00 -1.03 0.00 0.00 179.24 179.14 3k2g h ALA 336 N 1.72 0.77 -0.46 4.15 0.00 -1.99 0.83 119.26 124.29 3k2g h ALA 336 Ca 0.26 -0.15 -0.10 0.00 0.00 0.00 0.00 54.91 54.92 3k2g h ALA 336 Cb 0.63 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 3k2g h ALA 336 CO -0.06 0.36 -0.12 0.00 0.00 0.00 0.00 179.25 179.43 3k2g h ALA 337 N 1.10 0.91 -0.32 0.00 0.00 -1.58 -0.55 119.26 118.82 3k2g h ALA 337 Ca 0.20 -0.33 -0.11 0.00 0.00 0.00 0.00 54.91 54.67 3k2g h ALA 337 Cb 0.17 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 3k2g h ALA 337 CO -0.02 0.63 -0.25 -0.07 0.00 0.00 0.00 179.25 179.54 3k2g h LEU 338 N 0.76 0.65 -0.58 0.00 3.38 -0.91 -1.00 115.31 117.61 3k2g h LEU 338 Ca 0.12 -0.23 -0.10 0.00 0.09 0.00 0.00 57.88 57.76 3k2g h LEU 338 Cb 0.63 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 3k2g h LEU 338 CO 0.04 0.88 -0.01 -0.08 0.09 0.00 0.00 178.44 179.37 3k2g h GLU 339 N 0.56 1.03 -0.69 1.13 4.57 -0.54 -2.91 114.58 117.73 3k2g h GLU 339 Ca 0.08 -0.33 -0.03 0.00 -1.18 0.00 0.00 59.36 57.89 3k2g h GLU 339 Cb 0.72 -0.09 -0.03 0.00 -0.16 0.00 0.00 28.75 29.19 3k2g h GLU 339 CO 0.06 1.02 0.31 1.15 -1.18 0.00 0.00 179.01 180.37 3k2g h THR 340 N 0.92 1.23 0.00 0.32 2.02 -0.66 -0.74 112.91 116.00 3k2g h THR 340 Ca 0.16 -0.69 0.00 0.00 0.77 0.00 0.00 66.41 66.66 3k2g h THR 340 Cb 0.56 0.42 0.00 0.00 -1.74 0.00 0.00 68.15 67.39 3k2g h THR 340 CO 0.03 0.28 0.00 0.18 0.37 0.00 0.00 175.52 176.38 3k2g n LEU 341 N -4.42 0.07 0.00 2.58 4.77 -0.42 0.24 117.00 119.82 3k2g n LEU 341 Ca 0.05 -0.04 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 3k2g n LEU 341 Cb 0.15 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 3k2g n LEU 341 CO 0.39 0.02 0.00 0.52 -1.33 0.00 0.00 177.39 176.99 3k2g n VAL 343 N -0.34 0.00 0.01 4.08 0.31 -0.30 -4.41 118.33 117.68 3k2g n VAL 343 Ca 0.00 0.00 -0.11 0.00 -0.01 0.00 0.00 64.34 64.22 3k2g n VAL 343 Cb 0.02 0.00 -0.05 0.00 -0.91 0.00 0.00 33.84 32.89 3k2g n VAL 343 CO 0.00 0.00 0.00 0.74 -1.32 0.00 0.00 176.83 176.25 3k2g h THR 344 N 0.00 0.98 -0.36 2.52 2.02 -1.42 -2.01 112.91 114.64 3k2g h THR 344 Ca 0.00 -0.02 -0.02 0.00 0.77 0.00 0.00 66.41 67.14 3k2g h THR 344 Cb 0.00 0.91 -0.02 0.00 -1.74 0.00 0.00 68.15 67.30 3k2g h THR 344 CO 0.00 0.01 0.13 0.78 0.37 0.00 0.00 175.52 176.82 3k2g h ASN 345 N 0.06 0.50 -0.83 4.18 2.35 -0.44 0.60 115.58 122.01 3k2g h ASN 345 Ca 0.04 -0.18 0.06 0.00 -0.55 0.00 0.00 56.30 55.67 3k2g h ASN 345 Cb 0.02 -0.13 -0.06 0.00 0.05 0.00 0.00 38.32 38.20 3k2g h ASN 345 CO -0.04 0.54 0.51 -0.65 -1.65 0.00 0.00 177.43 176.14 3k2g h PRO 346 N 0.43 0.89 -0.73 0.81 0.11 -1.75 -0.42 132.00 131.35 3k2g h PRO 346 Ca 0.12 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 66.15 3k2g h PRO 346 Cb 0.21 -0.20 -0.03 0.00 0.11 0.00 0.00 31.00 31.08 3k2g h PRO 346 CO -0.01 0.59 0.38 -0.09 -0.21 0.00 0.00 178.00 178.66 3k2g h ARG 347 N 0.92 1.04 -0.52 1.05 2.43 -1.00 -1.95 114.38 116.35 3k2g h ARG 347 Ca 0.37 -0.14 0.06 0.00 -0.81 0.00 0.00 59.98 59.46 3k2g h ARG 347 Cb 0.19 -0.19 -0.03 0.00 -0.42 0.00 0.00 29.97 29.51 3k2g h ARG 347 CO -0.18 0.80 0.35 0.00 -1.51 0.00 0.00 179.97 179.42 3k2g h ARG 348 N 1.02 0.43 -0.87 0.20 3.08 0.69 0.39 114.38 119.31 3k2g h ARG 348 Ca 0.25 -0.03 0.01 0.00 0.07 0.00 0.00 59.98 60.29 3k2g h ARG 348 Cb 0.08 -0.10 -0.04 0.00 0.08 0.00 0.00 29.97 29.99 3k2g h ARG 348 CO -0.04 0.28 0.58 0.28 -1.07 0.00 0.00 179.97 180.01 3k2g h VAL 349 N 0.44 1.22 0.00 2.04 2.07 -0.41 -3.10 116.25 118.52 3k2g h VAL 349 Ca 0.23 -0.41 0.00 0.00 0.82 0.00 0.00 66.70 67.34 3k2g h VAL 349 Cb 0.33 -0.06 0.00 0.00 -1.52 0.00 0.00 31.29 30.03 3k2g h VAL 349 CO -0.06 0.22 -1.03 0.49 0.02 0.00 0.00 177.57 177.21 3k2g n PHE 350 N -4.48 0.11 -3.80 1.57 3.72 -0.51 -4.70 117.46 109.36 3k2g n PHE 350 Ca 0.10 0.03 -0.29 0.00 -0.05 0.00 0.00 57.45 57.24 3k2g n PHE 350 Cb 0.02 -0.26 -0.16 0.00 -0.94 0.00 0.00 39.48 38.14 3k2g n PHE 350 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 3k2g s ASP 351 N -3.52 3.47 0.20 4.37 -1.08 0.12 -4.12 116.67 116.11 3k2g s ASP 351 Ca 0.05 -1.12 0.22 0.00 -0.52 0.00 0.00 52.55 51.18 3k2g s ASP 351 Cb 0.15 -0.85 0.90 0.00 -1.46 0.00 0.00 42.92 41.67 3k2g s ASP 351 CO 0.82 -0.31 1.67 0.00 0.52 0.00 0.00 175.17 177.87 3k2g n ALA 352 N 4.87 1.70 0.88 3.66 0.00 0.69 -2.80 120.51 129.51 3k2g n ALA 352 Ca -0.08 0.05 0.13 0.00 0.00 0.00 0.00 53.44 53.54 3k2g n ALA 352 Cb 0.45 -1.36 0.55 0.00 0.00 0.00 0.00 19.45 19.09 3k2g n ALA 352 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3k2g n SER 353 N -2.08 0.08 -4.69 0.00 3.41 -1.26 -4.77 113.62 104.31 3k2g n SER 353 Ca 0.03 0.51 -0.42 0.00 -0.26 0.00 0.00 58.87 58.72 3k2g n SER 353 Cb 0.23 -0.53 -0.03 0.00 -0.26 0.00 0.00 64.21 63.62 3k2g n SER 353 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3k2g s ILE 354 N -3.01 4.06 0.58 -1.33 -1.09 -1.12 -4.98 121.20 114.30 3k2g s ILE 354 Ca 0.12 1.40 -0.20 0.00 -2.23 0.00 0.00 60.65 59.75 3k2g s ILE 354 Cb 0.17 -3.90 -0.04 0.00 -1.58 0.00 0.00 42.46 37.11 3k2g s ILE 354 CO 0.49 -0.00 1.26 -0.70 -1.23 0.00 0.00 174.94 174.76 3k2g s GLU 355 N 2.28 2.98 0.00 2.79 2.12 -1.26 -5.02 118.70 122.59 3k2g s GLU 355 Ca 0.59 1.96 0.00 0.00 0.36 0.00 0.00 54.97 57.88 3k2g s GLU 355 Cb -0.27 -2.02 0.00 0.00 0.26 0.00 0.00 34.13 32.10 3k2g s GLU 355 CO 0.24 -1.24 0.00 0.41 -0.54 0.00 0.00 175.26 174.13 3k2g n GLY 356 N 0.64 1.27 3.89 -1.50 0.00 -1.26 -5.10 105.19 103.14 3k2g n GLY 356 Ca 0.13 -1.64 0.00 0.00 0.00 0.00 0.00 46.02 44.51 3k2g n GLY 356 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89