#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k2g n GLU 3 N 0.00 2.88 -1.85 4.33 1.02 -1.26 -5.02 120.64 120.74 3k2g n GLU 3 Ca 0.00 -2.08 -0.41 0.00 -0.02 0.00 0.00 57.16 54.65 3k2g n GLU 3 Cb 0.00 -1.30 -0.01 0.00 -0.02 0.00 0.00 31.44 30.11 3k2g n GLU 3 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3k2g s LEU 4 N -1.16 4.34 0.60 -4.62 1.43 -1.06 -3.98 118.68 114.22 3k2g s LEU 4 Ca 0.23 2.95 -0.18 0.00 -1.03 0.00 0.00 54.13 56.10 3k2g s LEU 4 Cb 0.13 -3.65 -0.03 0.00 0.03 0.00 0.00 46.19 42.67 3k2g s LEU 4 CO 0.14 -0.83 1.17 -0.55 0.23 0.00 0.00 176.35 176.50 3k2g s SER 5 N 0.03 5.27 0.14 2.29 0.15 -0.13 -4.86 113.70 116.59 3k2g s SER 5 Ca 0.56 2.25 0.16 0.00 0.70 0.00 0.00 55.95 59.62 3k2g s SER 5 Cb -0.46 -2.58 0.70 0.00 -1.71 0.00 0.00 66.02 61.97 3k2g s SER 5 CO 0.56 -1.53 1.48 -0.81 1.20 0.00 0.00 173.24 174.14 3k2g n PRO 6 N -1.72 0.08 -2.10 5.44 -0.04 -1.26 -2.14 135.00 133.27 3k2g n PRO 6 Ca 0.12 0.43 -0.21 0.00 -0.04 0.00 0.00 63.50 63.80 3k2g n PRO 6 Cb 0.50 -1.70 0.02 0.00 -0.04 0.00 0.00 33.50 32.29 3k2g n PRO 6 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3k2g s HIS 8 N -3.62 1.74 -0.40 0.00 -3.43 -0.91 -4.58 115.29 104.10 3k2g s HIS 8 Ca 0.48 1.45 0.13 0.00 -0.80 0.00 0.00 55.06 56.33 3k2g s HIS 8 Cb 0.40 -3.20 0.73 0.00 -1.43 0.00 0.00 32.58 29.07 3k2g s HIS 8 CO 0.03 -3.02 1.38 1.33 -2.00 0.00 0.00 174.74 172.46 3k2g n VAL 9 N -4.35 1.23 -0.92 -5.38 0.24 -0.12 -1.03 118.33 108.00 3k2g n VAL 9 Ca 0.08 0.66 0.08 0.00 -2.04 0.00 0.00 64.34 63.12 3k2g n VAL 9 Cb 0.54 -1.66 0.25 0.00 -1.47 0.00 0.00 33.84 31.49 3k2g n VAL 9 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 3k2g n ARG 10 N -1.97 2.88 0.01 7.34 1.74 -1.26 -0.22 116.66 125.19 3k2g n ARG 10 Ca -0.01 -2.76 0.09 0.00 -0.77 0.00 0.00 57.85 54.40 3k2g n ARG 10 Cb 0.08 -1.78 -0.12 0.00 -1.02 0.00 0.00 32.46 29.62 3k2g n ARG 10 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 3k2g n SER 11 N -0.44 0.26 0.00 0.55 3.41 -0.20 -4.97 113.62 112.24 3k2g n SER 11 Ca 0.20 0.11 0.00 0.00 -0.26 0.00 0.00 58.87 58.92 3k2g n SER 11 Cb 0.84 1.42 0.00 0.00 -0.26 0.00 0.00 64.21 66.21 3k2g n SER 11 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3k2g n GLY 12 N 1.29 0.76 3.46 5.00 0.00 -1.26 -5.01 105.19 109.43 3k2g n GLY 12 Ca -0.06 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.12 1.64 0.00 1.61 0.52 -1.26 -1.12 118.95 120.22 3k2g s ARG 13 Ca 0.00 -1.79 0.00 0.00 -0.52 0.00 0.00 55.73 53.42 3k2g s ARG 13 Cb 0.00 -1.54 0.00 0.00 0.52 0.00 0.00 34.95 33.93 3k2g s ARG 13 CO 0.00 0.21 0.00 -0.89 0.02 0.00 0.00 175.30 174.64 3k2g n ILE 14 N -0.62 0.00 -3.62 1.52 5.41 0.14 -4.56 119.36 117.63 3k2g n ILE 14 Ca -0.06 0.00 0.02 0.00 1.00 0.00 0.00 62.75 63.72 3k2g n ILE 14 Cb 0.62 0.00 -0.00 0.00 -0.71 0.00 0.00 39.64 39.54 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 2.17 0.00 -0.09 1.39 -4.23 -0.39 -0.67 115.64 113.81 3k2g s THR 16 Ca 0.00 -0.15 0.28 0.00 -1.18 0.00 0.00 61.69 60.64 3k2g s THR 16 Cb 0.00 -2.05 0.29 0.00 1.34 0.00 0.00 72.50 72.08 3k2g s THR 16 CO 0.00 0.00 1.85 -0.37 -0.54 0.00 0.00 174.62 175.56 3k2g h VAL 17 N 2.00 0.00 -0.48 2.29 -1.51 -1.15 -0.93 116.25 116.48 3k2g h VAL 17 Ca -0.31 -0.14 0.00 0.00 -1.23 0.00 0.00 66.70 65.02 3k2g h VAL 17 Cb 1.20 0.85 0.00 0.00 -2.13 0.00 0.00 31.29 31.21 3k2g h VAL 17 CO 0.29 0.00 0.00 0.47 -1.23 0.00 0.00 177.57 177.10 3k2g n ASP 18 N -2.51 4.34 0.00 4.19 8.00 -1.26 -4.71 116.55 124.60 3k2g n ASP 18 Ca -0.00 -2.60 0.00 0.00 0.71 0.00 0.00 54.79 52.89 3k2g n ASP 18 Cb 0.14 -0.52 0.00 0.00 -0.02 0.00 0.00 41.12 40.71 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 0.48 1.06 3.77 0.44 0.00 -0.36 -5.04 105.19 105.55 3k2g n GLY 19 Ca 0.22 -2.20 -0.37 0.00 0.00 0.00 0.00 46.02 43.68 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 -1.28 3.75 0.01 1.61 0.02 -1.26 -1.27 135.00 136.58 3k2g s PRO 20 Ca 0.00 1.73 -0.02 0.00 0.02 0.00 0.00 61.00 62.73 3k2g s PRO 20 Cb 0.00 -2.37 -0.01 0.00 0.02 0.00 0.00 34.50 32.14 3k2g s PRO 20 CO 0.00 -0.55 0.02 0.96 -0.33 0.00 0.00 177.00 177.10 3k2g s ILE 21 N -1.59 0.08 0.46 2.83 -4.36 0.15 -4.91 121.20 113.87 3k2g s ILE 21 Ca 0.64 -0.70 -0.24 0.00 -0.26 0.00 0.00 60.65 60.09 3k2g s ILE 21 Cb -0.27 -0.26 -0.07 0.00 1.25 0.00 0.00 42.46 43.10 3k2g s ILE 21 CO 0.33 -0.39 1.22 -2.16 0.24 0.00 0.00 174.94 174.18 3k2g s PRO 22 N -1.18 3.73 0.54 0.37 0.04 -1.26 0.27 135.00 137.50 3k2g s PRO 22 Ca -0.13 1.92 0.25 0.00 0.04 0.00 0.00 61.00 63.08 3k2g s PRO 22 Cb -0.08 -2.48 1.42 0.00 0.04 0.00 0.00 34.50 33.40 3k2g s PRO 22 CO -0.00 -0.62 2.02 0.66 0.04 0.00 0.00 177.00 179.10 3k2g h SER 23 N 2.13 0.00 0.35 6.66 4.64 -1.40 0.13 113.55 126.07 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 0.60 0.00 0.00 0.77 -0.87 0.00 0.00 176.83 177.33 3k2g h SER 24 N 0.00 0.00 0.36 4.97 4.64 -1.89 -2.24 113.55 119.38 3k2g h SER 24 Ca 0.20 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.52 3k2g h SER 24 Cb 0.82 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.91 3k2g h SER 24 CO -0.00 0.00 -0.34 0.00 -0.87 0.00 0.00 176.83 175.62 3k2g n ALA 25 N -1.94 3.23 -0.10 5.18 0.00 0.46 -4.20 120.51 123.15 3k2g n ALA 25 Ca -0.01 -0.37 -0.09 0.00 0.00 0.00 0.00 53.44 52.97 3k2g n ALA 25 Cb 0.14 -1.15 -0.02 0.00 0.00 0.00 0.00 19.45 18.43 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 0.67 0.40 0.00 0.00 5.85 -1.52 -3.48 115.31 117.23 3k2g h LEU 26 Ca 0.00 -0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.65 3k2g h LEU 26 Cb 0.50 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.42 3k2g h LEU 26 CO 0.00 0.35 0.00 0.61 -0.34 0.00 0.00 178.44 179.06 3k2g n GLY 27 N -1.02 0.97 3.56 3.75 0.00 -1.26 -3.86 105.19 107.32 3k2g n GLY 27 Ca -0.01 -0.78 -0.46 0.00 0.00 0.00 0.00 46.02 44.76 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 1.92 -4.30 1.61 -0.00 -1.26 -4.53 115.22 108.66 3k2g n HIS 28 Ca 0.00 0.02 -0.22 0.00 -0.00 0.00 0.00 57.72 57.52 3k2g n HIS 28 Cb 0.00 -2.65 -0.13 0.00 -0.00 0.00 0.00 29.99 27.21 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 7.13 1.40 0.49 3.57 2.01 -1.26 -0.59 115.64 128.39 3k2g s THR 29 Ca 1.02 -1.33 0.05 0.00 0.31 0.00 0.00 61.69 61.74 3k2g s THR 29 Cb -0.58 -1.29 0.05 0.00 0.01 0.00 0.00 72.50 70.69 3k2g s THR 29 CO 0.43 -0.07 0.41 0.18 -0.69 0.00 0.00 174.62 174.88 3k2g n LEU 30 N 1.37 0.00 -4.42 4.42 4.77 -0.83 -4.85 117.00 117.46 3k2g n LEU 30 Ca -0.20 -2.46 -0.32 0.00 -0.03 0.00 0.00 56.01 53.00 3k2g n LEU 30 Cb 0.54 -0.09 -0.18 0.00 -2.33 0.00 0.00 43.42 41.36 3k2g n LEU 30 CO 0.22 -0.57 2.13 1.57 -1.33 0.00 0.00 177.39 179.41 3k2g n HIS 32 N -1.70 0.31 -3.92 -1.77 -0.00 -1.24 -0.77 115.22 106.14 3k2g n HIS 32 Ca 0.01 0.21 -0.10 0.00 -0.00 0.00 0.00 57.72 57.84 3k2g n HIS 32 Cb 0.54 -1.54 -0.11 0.00 -0.00 0.00 0.00 29.99 28.88 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 7.99 0.37 -0.21 1.57 0.41 -0.86 -2.09 118.70 125.88 3k2g s GLU 33 Ca 1.32 -0.45 -0.05 0.00 -0.41 0.00 0.00 54.97 55.38 3k2g s GLU 33 Cb -1.06 0.15 -0.02 0.00 -1.78 0.00 0.00 34.13 31.41 3k2g s GLU 33 CO 0.51 -0.08 -0.01 -1.01 -0.49 0.00 0.00 175.26 174.19 3k2g s HIS 34 N -1.30 3.01 -0.09 1.61 3.76 -0.70 -3.95 115.29 117.63 3k2g s HIS 34 Ca -0.14 -0.61 0.08 0.00 -0.15 0.00 0.00 55.06 54.23 3k2g s HIS 34 Cb -0.08 -2.11 -0.24 0.00 1.11 0.00 0.00 32.58 31.26 3k2g s HIS 34 CO 0.00 -0.36 0.50 1.28 -0.85 0.00 0.00 174.74 175.31 3k2g n LEU 35 N 4.52 1.34 -3.77 0.89 4.77 -1.26 -4.68 117.00 118.81 3k2g n LEU 35 Ca -0.17 0.30 -0.13 0.00 -0.03 0.00 0.00 56.01 55.98 3k2g n LEU 35 Cb 0.51 -0.18 -0.10 0.00 -2.33 0.00 0.00 43.42 41.32 3k2g n LEU 35 CO 0.30 0.54 -0.03 -1.10 -1.33 0.00 0.00 177.39 175.78 3k2g s GLN 36 N -2.57 0.42 0.16 3.23 -1.52 -1.26 -4.85 119.66 113.27 3k2g s GLN 36 Ca -0.11 0.24 -0.23 0.00 -1.95 0.00 0.00 55.36 53.30 3k2g s GLN 36 Cb 0.07 0.20 0.08 0.00 -0.22 0.00 0.00 33.01 33.14 3k2g s GLN 36 CO 0.80 -0.08 1.05 0.54 -0.25 0.00 0.00 175.29 177.36 3k2g s ASN 37 N -0.25 -0.03 -0.20 5.90 4.22 -0.55 -4.77 114.94 119.26 3k2g s ASN 37 Ca -0.04 -0.58 -0.04 0.00 -2.14 0.00 0.00 52.86 50.06 3k2g s ASN 37 Cb -0.03 0.46 0.08 0.00 1.28 0.00 0.00 41.25 43.04 3k2g s ASN 37 CO 0.01 -0.91 0.15 -0.62 -2.04 0.00 0.00 177.10 173.70 3k2g s ASP 38 N -3.33 2.04 -0.20 3.54 -1.08 -0.14 -2.18 116.67 115.31 3k2g s ASP 38 Ca 0.20 -0.52 0.15 0.00 -0.52 0.00 0.00 52.55 51.87 3k2g s ASP 38 Cb -0.02 0.02 0.52 0.00 -1.46 0.00 0.00 42.92 41.98 3k2g s ASP 38 CO 0.04 -0.35 1.43 0.00 0.52 0.00 0.00 175.17 176.81 3k2g h ARG 40 N 1.63 0.00 0.00 0.00 3.08 -1.92 0.95 114.38 118.11 3k2g h ARG 40 Ca 0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.09 3k2g h ARG 40 Cb 1.49 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.54 3k2g h ARG 40 CO 0.26 0.00 0.00 0.00 -1.07 0.00 0.00 179.97 179.16 3k2g n TRP 42 N -1.93 1.61 -1.66 0.00 8.01 0.33 -4.97 117.44 118.82 3k2g n TRP 42 Ca 0.02 -0.67 -0.52 0.00 -1.31 0.00 0.00 57.50 55.01 3k2g n TRP 42 Cb 0.16 -0.34 -0.06 0.00 -2.01 0.00 0.00 31.31 29.06 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 0.77 2.00 -3.62 -5.99 -0.00 -0.87 -4.80 117.44 104.94 3k2g n TRP 43 Ca 0.26 0.40 -0.28 0.00 -0.00 0.00 0.00 57.50 57.88 3k2g n TRP 43 Cb 0.98 -2.48 -0.10 0.00 -0.00 0.00 0.00 31.31 29.72 3k2g n TRP 43 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 177.69 175.98 3k2g n ASN 44 N 4.47 3.52 -4.69 5.87 5.15 0.61 -5.02 115.26 125.18 3k2g n ASN 44 Ca 0.22 -3.35 -0.43 0.00 -0.60 0.00 0.00 54.58 50.41 3k2g n ASN 44 Cb 0.21 -0.72 -0.01 0.00 -0.53 0.00 0.00 39.78 38.73 3k2g n ASN 44 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 3k2g n PRO 45 N 1.32 2.15 -2.48 1.20 -0.04 -1.26 -3.97 135.00 131.91 3k2g n PRO 45 Ca 0.26 0.76 -0.43 0.00 -0.04 0.00 0.00 63.50 64.05 3k2g n PRO 45 Cb 0.38 -2.39 -0.02 0.00 -0.04 0.00 0.00 33.50 31.43 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 -1.24 4.29 0.00 0.54 0.04 -1.26 -4.90 135.00 132.47 3k2g s PRO 46 Ca 0.61 1.61 0.28 0.00 0.04 0.00 0.00 61.00 63.53 3k2g s PRO 46 Cb -0.59 -3.67 1.31 0.00 0.04 0.00 0.00 34.50 31.59 3k2g s PRO 46 CO 0.57 -0.58 1.88 0.00 0.04 0.00 0.00 177.00 178.90 3k2g n GLN 47 N 5.99 1.39 -4.72 4.56 10.64 -1.26 -4.78 117.38 129.20 3k2g n GLN 47 Ca 0.12 -0.57 -0.33 0.00 -1.83 0.00 0.00 57.00 54.39 3k2g n GLN 47 Cb 0.46 -1.46 -0.13 0.00 -0.86 0.00 0.00 30.24 28.25 3k2g n GLN 47 CO 0.00 0.00 0.00 -1.83 -1.83 0.00 0.00 177.06 173.40 3k2g s GLU 48 N -1.97 3.02 0.41 2.61 1.03 -1.26 -5.03 118.70 117.51 3k2g s GLU 48 Ca 0.40 -0.63 0.14 0.00 0.03 0.00 0.00 54.97 54.90 3k2g s GLU 48 Cb 0.20 -2.59 0.99 0.00 -0.80 0.00 0.00 34.13 31.93 3k2g s GLU 48 CO 0.33 0.45 1.92 -1.35 -1.33 0.00 0.00 175.26 175.28 3k2g h PRO 49 N 5.95 0.47 0.00 -4.83 0.11 -2.01 -1.89 132.00 129.79 3k2g h PRO 49 Ca -0.38 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.70 3k2g h PRO 49 Cb 1.18 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.19 3k2g h PRO 49 CO 0.54 0.31 0.00 0.39 -0.21 0.00 0.00 178.00 179.03 3k2g n GLU 50 N -4.49 0.18 0.00 1.05 1.02 -1.26 -2.43 120.64 114.71 3k2g n GLU 50 Ca 0.14 0.17 0.00 0.00 -0.02 0.00 0.00 57.16 57.44 3k2g n GLU 50 Cb 0.47 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.39 3k2g n GLU 50 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3k2g n ARG 51 N -1.29 1.74 0.26 3.49 1.74 -0.72 -4.76 116.66 117.12 3k2g n ARG 51 Ca 0.06 -1.09 0.09 0.00 -0.77 0.00 0.00 57.85 56.14 3k2g n ARG 51 Cb 0.10 -0.85 0.67 0.00 -1.02 0.00 0.00 32.46 31.36 3k2g n ARG 51 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 3k2g h GLN 52 N 0.00 0.00 0.00 5.56 4.20 -1.41 -2.38 115.11 121.09 3k2g h GLN 52 Ca 0.00 0.00 -0.08 0.00 0.06 0.00 0.00 58.65 58.63 3k2g h GLN 52 Cb 0.58 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.35 3k2g h GLN 52 CO 0.00 0.07 -0.40 0.10 -0.67 0.00 0.00 178.83 177.93 3k2g h TYR 53 N 0.00 0.00 0.00 2.96 -0.00 -1.86 -2.74 116.97 115.33 3k2g h TYR 53 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.73 3k2g h TYR 53 Cb 0.14 0.00 0.00 0.00 0.00 0.00 0.00 36.73 36.87 3k2g h TYR 53 CO 0.00 0.40 0.00 1.28 -0.00 0.00 0.00 178.16 179.84 3k2g n LEU 54 N -4.05 0.00 -0.03 0.10 4.77 -0.89 -3.14 117.00 113.76 3k2g n LEU 54 Ca -0.02 0.47 -0.01 0.00 -0.03 0.00 0.00 56.01 56.43 3k2g n LEU 54 Cb 0.44 -0.47 -0.00 0.00 -2.33 0.00 0.00 43.42 41.05 3k2g n LEU 54 CO 0.39 -0.27 -0.04 0.00 -1.33 0.00 0.00 177.39 176.14 3k2g h ALA 55 N 2.44 0.00 -0.01 -1.18 0.00 -1.58 -3.29 119.26 115.64 3k2g h ALA 55 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3k2g h ALA 55 Cb 0.20 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3k2g h ALA 55 CO 0.00 0.06 -0.17 0.39 0.00 0.00 0.00 179.25 179.52 3k2g n GLU 56 N -3.28 1.00 -2.74 0.00 4.71 -1.25 -2.08 120.64 116.99 3k2g n GLU 56 Ca -0.01 -0.55 -0.40 0.00 -0.01 0.00 0.00 57.16 56.19 3k2g n GLU 56 Cb 0.03 -1.49 -0.06 0.00 -1.01 0.00 0.00 31.44 28.91 3k2g n GLU 56 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3k2g s ALA 57 N -2.38 3.34 0.52 0.62 0.00 -1.19 -4.92 121.76 117.76 3k2g s ALA 57 Ca 0.28 0.62 -0.20 0.00 0.00 0.00 0.00 51.96 52.67 3k2g s ALA 57 Cb 0.20 -3.21 -0.07 0.00 0.00 0.00 0.00 23.12 20.04 3k2g s ALA 57 CO 0.47 0.19 1.11 -1.25 0.00 0.00 0.00 175.76 176.28 3k2g s PRO 58 N -1.15 3.49 0.20 0.00 0.04 -1.26 -4.65 135.00 131.67 3k2g s PRO 58 Ca 0.41 1.56 -0.33 0.00 0.04 0.00 0.00 61.00 62.69 3k2g s PRO 58 Cb -0.26 -2.05 -0.14 0.00 0.04 0.00 0.00 34.50 32.09 3k2g s PRO 58 CO 0.32 -0.73 1.48 -0.89 0.04 0.00 0.00 177.00 177.22 3k2g n ILE 59 N -1.17 0.50 -4.01 0.56 5.41 -1.26 -4.98 119.36 114.41 3k2g n ILE 59 Ca 0.11 -0.12 -0.08 0.00 1.00 0.00 0.00 62.75 63.66 3k2g n ILE 59 Cb 0.51 -1.49 -0.09 0.00 -0.71 0.00 0.00 39.64 37.86 3k2g n ILE 59 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 3k2g s SER 60 N 0.57 0.37 0.35 4.38 1.04 -1.26 -5.07 113.70 114.08 3k2g s SER 60 Ca 0.73 -0.87 0.06 0.00 0.48 0.00 0.00 55.95 56.35 3k2g s SER 60 Cb -0.67 0.24 0.72 0.00 0.10 0.00 0.00 66.02 66.41 3k2g s SER 60 CO 0.44 -0.63 1.92 -0.29 0.98 0.00 0.00 173.24 175.67 3k2g h ILE 61 N 3.09 0.97 0.00 -1.02 2.10 -1.94 -2.78 117.51 117.93 3k2g h ILE 61 Ca -0.34 -0.27 0.00 0.00 1.08 0.00 0.00 64.86 65.33 3k2g h ILE 61 Cb 1.16 0.11 0.00 0.00 -1.09 0.00 0.00 36.82 37.00 3k2g h ILE 61 CO 0.62 0.14 0.00 -1.84 -1.08 0.00 0.00 178.15 175.99 3k2g n GLU 62 N -4.51 0.17 -0.07 2.19 0.00 -1.26 -3.12 120.64 114.05 3k2g n GLU 62 Ca 0.13 0.13 0.03 0.00 0.00 0.00 0.00 57.16 57.45 3k2g n GLU 62 Cb 0.30 -1.50 0.06 0.00 0.00 0.00 0.00 31.44 30.31 3k2g n GLU 62 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.13 177.57 3k2g n ILE 63 N -1.37 0.82 -0.25 3.84 -5.35 -1.05 -4.72 119.36 111.29 3k2g n ILE 63 Ca 0.08 -0.91 -0.02 0.00 -0.27 0.00 0.00 62.75 61.63 3k2g n ILE 63 Cb 0.19 0.61 0.18 0.00 -1.74 0.00 0.00 39.64 38.87 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 0.98 0.95 0.07 7.28 3.38 -1.60 -2.02 115.31 124.34 3k2g h LEU 64 Ca 0.00 -0.07 0.01 0.00 0.09 0.00 0.00 57.88 57.90 3k2g h LEU 64 Cb 0.54 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 3k2g h LEU 64 CO 0.00 0.76 -0.09 -1.28 0.09 0.00 0.00 178.44 177.92 3k2g h SER 65 N 1.07 -0.23 -0.84 -0.43 0.87 -1.84 -1.17 113.55 110.99 3k2g h SER 65 Ca 0.27 0.03 0.02 0.00 -1.23 0.00 0.00 61.79 60.88 3k2g h SER 65 Cb 0.01 0.09 -0.05 0.00 -0.44 0.00 0.00 62.40 62.01 3k2g h SER 65 CO -0.05 -0.13 0.54 -0.33 -0.53 0.00 0.00 176.83 176.34 3k2g h GLU 66 N -0.18 1.05 -0.49 2.24 4.39 -1.86 -2.36 114.58 117.36 3k2g h GLU 66 Ca 0.01 -0.06 -0.04 0.00 0.34 0.00 0.00 59.36 59.61 3k2g h GLU 66 Cb 0.19 -0.24 -0.02 0.00 -0.10 0.00 0.00 28.75 28.57 3k2g h GLU 66 CO -0.04 0.70 0.13 -0.07 -1.16 0.00 0.00 179.01 178.57 3k2g h LEU 67 N 1.08 0.69 -2.41 1.33 3.38 -1.00 -1.43 115.31 116.94 3k2g h LEU 67 Ca 0.32 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 58.18 3k2g h LEU 67 Cb -0.05 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.52 3k2g h LEU 67 CO -0.09 0.67 -0.01 0.03 0.09 0.00 0.00 178.44 179.13 3k2g h ARG 68 N 0.72 0.00 -0.02 1.13 3.08 -0.67 0.17 114.38 118.80 3k2g h ARG 68 Ca 0.16 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.21 3k2g h ARG 68 Cb 0.25 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.30 3k2g h ARG 68 CO -0.00 0.01 -0.30 1.04 -1.07 0.00 0.00 179.97 179.64 3k2g n GLN 69 N -3.15 1.30 -2.70 0.04 1.13 -0.56 -1.19 117.38 112.26 3k2g n GLN 69 Ca -0.02 -0.98 -0.06 0.00 -1.94 0.00 0.00 57.00 54.01 3k2g n GLN 69 Cb 0.16 -1.48 0.08 0.00 0.11 0.00 0.00 30.24 29.11 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 0.00 -1.89 -0.30 1.08 2.03 -0.50 -3.68 116.55 113.29 3k2g n ASP 70 Ca 0.12 -2.48 0.15 0.00 0.52 0.00 0.00 54.79 53.09 3k2g n ASP 70 Cb 0.44 1.27 0.32 0.00 -0.72 0.00 0.00 41.12 42.43 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 3.22 0.20 0.00 -0.67 0.11 -0.95 -1.79 132.00 132.12 3k2g h PRO 71 Ca -0.21 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.89 3k2g h PRO 71 Cb 1.14 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.21 3k2g h PRO 71 CO 0.03 0.14 0.00 1.19 -0.21 0.00 0.00 178.00 179.15 3k2g n PHE 72 N -5.22 0.00 0.48 0.65 3.72 -1.26 -3.61 117.46 112.23 3k2g n PHE 72 Ca 0.23 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.76 3k2g n PHE 72 Cb 0.73 0.00 0.36 0.00 -0.94 0.00 0.00 39.48 39.63 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 0.00 -3.45 -4.37 3.04 -1.45 0.17 116.25 110.19 3k2g h VAL 73 Ca 0.00 -0.60 -0.65 0.00 -1.01 0.00 0.00 66.70 64.45 3k2g h VAL 73 Cb 0.00 1.57 -0.24 0.00 -2.01 0.00 0.00 31.29 30.61 3k2g h VAL 73 CO 0.00 0.00 -0.67 0.21 -1.01 0.00 0.00 177.57 176.10 3k2g s ASN 74 N -5.00 4.75 0.09 3.17 3.84 -1.24 -3.82 114.94 116.73 3k2g s ASN 74 Ca 0.09 -0.24 -0.23 0.00 0.21 0.00 0.00 52.86 52.68 3k2g s ASN 74 Cb 0.10 -1.82 -0.14 0.00 -0.55 0.00 0.00 41.25 38.84 3k2g s ASN 74 CO 0.60 0.03 1.73 0.11 -2.79 0.00 0.00 177.10 176.78 3k2g h LYS 75 N 7.72 -0.04 -0.78 0.43 1.57 -1.66 -2.76 116.57 121.05 3k2g h LYS 75 Ca -0.37 0.00 0.11 0.00 -1.87 0.00 0.00 60.65 58.52 3k2g h LYS 75 Cb 1.17 0.01 -0.05 0.00 0.08 0.00 0.00 32.23 33.44 3k2g h LYS 75 CO 0.60 -0.03 0.51 1.25 -0.57 0.00 0.00 179.45 181.22 3k2g h HIS 76 N -0.04 0.73 -0.08 -1.35 2.76 -1.82 -2.64 115.15 112.70 3k2g h HIS 76 Ca 0.00 0.02 -0.13 0.00 -2.20 0.00 0.00 60.37 58.06 3k2g h HIS 76 Cb 0.04 -0.23 -0.01 0.00 1.55 0.00 0.00 27.41 28.76 3k2g h HIS 76 CO -0.09 0.33 -0.53 -0.97 -1.30 0.00 0.00 177.93 175.37 3k2g h ASN 77 N 0.67 0.25 -0.53 3.26 -1.24 -1.84 -3.36 115.58 112.78 3k2g h ASN 77 Ca 0.37 -0.13 -0.32 0.00 0.71 0.00 0.00 56.30 56.93 3k2g h ASN 77 Cb 0.53 -0.07 -0.12 0.00 0.73 0.00 0.00 38.32 39.38 3k2g h ASN 77 CO -0.14 0.74 0.27 2.30 -1.29 0.00 0.00 177.43 179.30 3k2g n ILE 78 N -3.93 2.87 -3.55 2.57 -5.35 -1.00 -1.56 119.36 109.41 3k2g n ILE 78 Ca -0.02 -1.89 -0.01 0.00 -0.27 0.00 0.00 62.75 60.56 3k2g n ILE 78 Cb 0.56 -1.51 -0.05 0.00 -1.74 0.00 0.00 39.64 36.90 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 -1.24 -2.37 -0.82 -1.28 0.00 -1.26 -1.61 121.76 113.18 3k2g s ALA 79 Ca 0.40 2.19 -0.16 0.00 0.00 0.00 0.00 51.96 54.39 3k2g s ALA 79 Cb 0.26 -1.82 0.18 0.00 0.00 0.00 0.00 23.12 21.74 3k2g s ALA 79 CO -0.07 -0.68 0.84 -0.51 0.00 0.00 0.00 175.76 175.34 3k2g s LEU 80 N 2.05 6.18 -0.08 0.00 1.43 -0.93 -4.53 118.68 122.80 3k2g s LEU 80 Ca -0.06 -2.37 0.12 0.00 -1.03 0.00 0.00 54.13 50.79 3k2g s LEU 80 Cb -0.06 -2.27 0.19 0.00 0.03 0.00 0.00 46.19 44.08 3k2g s LEU 80 CO -0.17 -0.76 1.09 -0.90 0.23 0.00 0.00 176.35 175.84 3k2g n ASP 81 N 4.90 1.66 -4.16 2.29 5.68 -1.26 -1.48 116.55 124.16 3k2g n ASP 81 Ca 0.13 -2.69 -0.39 0.00 -0.50 0.00 0.00 54.79 51.34 3k2g n ASP 81 Cb 0.47 -0.33 -0.07 0.00 -1.14 0.00 0.00 41.12 40.05 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 -2.20 5.82 0.28 -1.12 -1.08 -1.26 -4.94 116.67 112.17 3k2g s ASP 82 Ca 0.21 -3.02 -0.03 0.00 -0.52 0.00 0.00 52.55 49.19 3k2g s ASP 82 Cb 0.18 -1.96 0.38 0.00 -1.46 0.00 0.00 42.92 40.06 3k2g s ASP 82 CO 0.02 -0.38 1.93 0.25 0.52 0.00 0.00 175.17 177.51 3k2g h LEU 83 N 6.99 0.98 -0.87 -1.34 5.85 -1.92 0.64 115.31 125.64 3k2g h LEU 83 Ca 0.06 -0.05 -0.04 0.00 0.84 0.00 0.00 57.88 58.68 3k2g h LEU 83 Cb 0.94 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 41.69 3k2g h LEU 83 CO 0.76 0.75 0.35 0.44 -0.34 0.00 0.00 178.44 180.40 3k2g h ASP 84 N 1.13 1.08 0.05 1.25 3.32 -2.00 -0.81 116.42 120.43 3k2g h ASP 84 Ca 0.29 -0.15 -0.17 0.00 0.02 0.00 0.00 57.03 57.03 3k2g h ASP 84 Cb -0.05 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 39.22 3k2g h ASP 84 CO -0.06 0.93 -0.59 0.25 -1.72 0.00 0.00 179.24 178.05 3k2g h LEU 85 N 1.16 0.62 -0.60 1.55 5.85 -1.82 -2.45 115.31 119.62 3k2g h LEU 85 Ca 0.27 -0.35 0.00 0.00 0.84 0.00 0.00 57.88 58.64 3k2g h LEU 85 Cb 0.17 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 40.99 3k2g h LEU 85 CO -0.03 1.07 0.38 0.00 -0.34 0.00 0.00 178.44 179.53 3k2g h ALA 86 N 0.93 0.77 -0.19 1.25 0.00 -0.41 0.12 119.26 121.73 3k2g h ALA 86 Ca -0.00 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 3k2g h ALA 86 Cb 1.15 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 3k2g h ALA 86 CO 0.11 0.23 0.09 0.82 0.00 0.00 0.00 179.25 180.50 3k2g h ILE 87 N 0.82 1.14 -0.45 0.00 2.04 -1.09 0.58 117.51 120.54 3k2g h ILE 87 Ca 0.22 -0.39 0.02 0.00 1.00 0.00 0.00 64.86 65.71 3k2g h ILE 87 Cb -0.06 1.05 -0.03 0.00 -0.74 0.00 0.00 36.82 37.04 3k2g h ILE 87 CO -0.04 0.13 0.26 0.00 0.00 0.00 0.00 178.15 178.50 3k2g h ALA 88 N 0.95 0.57 -0.55 1.87 0.00 -1.05 -1.18 119.26 119.87 3k2g h ALA 88 Ca 0.07 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 3k2g h ALA 88 Cb 0.12 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 3k2g h ALA 88 CO -0.01 -0.06 0.03 0.93 0.00 0.00 0.00 179.25 180.14 3k2g h GLU 89 N 0.52 0.95 -0.26 0.00 4.39 -0.56 -2.82 114.58 116.81 3k2g h GLU 89 Ca 0.18 -0.29 -0.07 0.00 0.34 0.00 0.00 59.36 59.52 3k2g h GLU 89 Cb 0.02 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.56 3k2g h GLU 89 CO -0.09 0.94 -0.15 0.28 -1.16 0.00 0.00 179.01 178.84 3k2g h VAL 90 N 0.83 1.23 -0.07 3.13 2.07 -0.64 -2.44 116.25 120.36 3k2g h VAL 90 Ca 0.16 -1.03 0.02 0.00 0.82 0.00 0.00 66.70 66.67 3k2g h VAL 90 Cb 0.49 1.20 -0.00 0.00 -1.52 0.00 0.00 31.29 31.46 3k2g h VAL 90 CO 0.02 0.33 0.05 0.11 0.02 0.00 0.00 177.57 178.11 3k2g h LYS 91 N 0.41 0.00 -0.65 1.57 1.57 -0.96 -0.25 116.57 118.27 3k2g h LYS 91 Ca 0.07 -0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.87 3k2g h LYS 91 Cb 0.51 -0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.78 3k2g h LYS 91 CO 0.03 0.00 0.43 1.96 -0.57 0.00 0.00 179.45 181.30 3k2g h GLN 92 N 0.00 0.83 -0.14 3.15 4.20 -1.40 0.53 115.11 122.29 3k2g h GLN 92 Ca 0.03 -0.05 -0.05 0.00 0.06 0.00 0.00 58.65 58.64 3k2g h GLN 92 Cb 0.13 -0.19 -0.00 0.00 0.30 0.00 0.00 27.48 27.72 3k2g h GLN 92 CO -0.00 0.55 -0.12 0.35 -0.67 0.00 0.00 178.83 178.94 3k2g h PHE 93 N 0.86 0.39 -0.29 2.96 3.57 -1.14 -2.94 116.94 120.34 3k2g h PHE 93 Ca 0.24 -0.11 -0.02 0.00 3.53 0.00 0.00 57.97 61.61 3k2g h PHE 93 Cb -0.06 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 38.58 3k2g h PHE 93 CO -0.00 0.71 0.09 0.00 -2.23 0.00 0.00 178.31 176.89 3k2g h ALA 94 N 0.61 1.62 0.00 2.41 0.00 -1.09 0.11 119.26 122.92 3k2g h ALA 94 Ca 0.02 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 3k2g h ALA 94 Cb 0.64 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 3k2g h ALA 94 CO 0.03 0.30 -0.07 0.00 0.00 0.00 0.00 179.25 179.51 3k2g h ALA 95 N 1.70 1.32 -0.39 0.00 0.00 -0.72 -2.04 119.26 119.12 3k2g h ALA 95 Ca 0.10 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 3k2g h ALA 95 Cb 0.13 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 3k2g h ALA 95 CO -0.01 0.08 0.03 1.33 0.00 0.00 0.00 179.25 180.68 3k2g n VAL 96 N -3.63 2.50 0.00 0.00 0.24 -0.84 -4.93 118.33 111.67 3k2g n VAL 96 Ca -0.02 -1.82 0.00 0.00 -2.04 0.00 0.00 64.34 60.46 3k2g n VAL 96 Cb 0.17 -0.28 0.00 0.00 -1.47 0.00 0.00 33.84 32.27 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 -0.27 0.46 3.71 7.63 0.00 -0.77 -5.01 105.19 110.95 3k2g n GLY 97 Ca 0.26 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.16 1.45 -0.09 -0.02 0.00 0.31 -4.57 107.32 103.24 3k2g s GLY 98 Ca 0.00 1.41 0.05 0.00 0.00 0.00 0.00 44.72 46.18 3k2g s GLY 98 CO 0.00 2.78 -0.02 -2.13 0.00 0.00 0.00 173.10 173.74 3k2g n ARG 99 N 4.38 1.79 -4.00 2.90 3.00 0.24 -4.05 116.66 120.92 3k2g n ARG 99 Ca 0.15 0.02 -0.08 0.00 -0.00 0.00 0.00 57.85 57.94 3k2g n ARG 99 Cb 0.38 -1.22 -0.10 0.00 0.00 0.00 0.00 32.46 31.52 3k2g n ARG 99 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.63 176.51 3k2g s SER 100 N -4.39 0.31 -0.03 6.15 0.01 -0.93 -1.29 113.70 113.52 3k2g s SER 100 Ca -0.08 -0.70 0.01 0.00 1.31 0.00 0.00 55.95 56.49 3k2g s SER 100 Cb 0.03 0.19 0.02 0.00 0.21 0.00 0.00 66.02 66.47 3k2g s SER 100 CO 0.31 -0.49 -0.02 -0.63 0.41 0.00 0.00 173.24 172.82 3k2g s ILE 101 N -2.81 0.31 -0.31 1.44 1.01 0.44 -1.97 121.20 119.31 3k2g s ILE 101 Ca -0.03 -0.02 -0.14 0.00 0.00 0.00 0.00 60.65 60.46 3k2g s ILE 101 Cb -0.00 -0.37 -0.03 0.00 0.01 0.00 0.00 42.46 42.08 3k2g s ILE 101 CO -0.06 0.16 0.30 -0.69 0.00 0.00 0.00 174.94 174.65 3k2g s VAL 102 N 0.83 5.23 -0.43 2.92 1.01 0.05 -1.74 120.40 128.26 3k2g s VAL 102 Ca -0.09 0.12 -0.10 0.00 0.00 0.00 0.00 61.98 61.91 3k2g s VAL 102 Cb -0.12 -3.71 0.08 0.00 0.00 0.00 0.00 36.38 32.63 3k2g s VAL 102 CO -0.01 0.05 0.29 -0.62 0.00 0.00 0.00 175.10 174.81 3k2g s ASP 103 N 1.72 5.72 -0.04 3.32 -1.08 -0.02 -2.03 116.67 124.27 3k2g s ASP 103 Ca 0.10 -1.52 0.04 0.00 -0.52 0.00 0.00 52.55 50.65 3k2g s ASP 103 Cb -0.16 -2.02 0.17 0.00 -1.46 0.00 0.00 42.92 39.45 3k2g s ASP 103 CO 0.11 -0.57 0.87 -0.81 0.52 0.00 0.00 175.17 175.29 3k2g n PRO 104 N 4.96 1.73 -1.81 4.34 -0.04 -1.25 -1.90 135.00 141.03 3k2g n PRO 104 Ca -0.10 -0.67 -0.42 0.00 -0.04 0.00 0.00 63.50 62.27 3k2g n PRO 104 Cb 0.43 -1.52 -0.03 0.00 -0.04 0.00 0.00 33.50 32.34 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 -1.50 3.18 0.00 0.52 2.01 -1.26 -4.38 115.64 114.21 3k2g s THR 105 Ca 0.12 0.30 0.00 0.00 0.31 0.00 0.00 61.69 62.42 3k2g s THR 105 Cb 0.08 -3.19 0.00 0.00 0.01 0.00 0.00 72.50 69.40 3k2g s THR 105 CO 0.05 -0.02 0.00 0.00 -0.69 0.00 0.00 174.62 173.95 3k2g s ARG 107 N 1.71 4.28 0.00 0.00 0.52 -0.74 -2.74 118.95 121.97 3k2g s ARG 107 Ca 0.00 2.22 0.00 0.00 -0.52 0.00 0.00 55.73 57.43 3k2g s ARG 107 Cb 0.00 -3.18 0.00 0.00 0.52 0.00 0.00 34.95 32.29 3k2g s ARG 107 CO 0.00 -0.48 0.00 0.41 0.02 0.00 0.00 175.30 175.25 3k2g n GLY 108 N 3.21 2.74 0.42 -3.53 0.00 -1.26 -3.59 105.19 103.19 3k2g n GLY 108 Ca 0.11 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.21 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 -0.67 2.08 -0.83 -0.61 -5.35 -1.11 -4.93 119.36 107.94 3k2g n ILE 109 Ca 0.00 -2.33 0.00 0.00 -0.27 0.00 0.00 62.75 60.15 3k2g n ILE 109 Cb 0.00 -0.25 0.00 0.00 -1.74 0.00 0.00 39.64 37.65 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 -1.15 1.04 3.75 3.28 0.00 -1.25 -0.97 105.19 109.89 3k2g n GLY 110 Ca 0.19 -0.47 -0.42 0.00 0.00 0.00 0.00 46.02 45.32 3k2g n GLY 110 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3k2g n ARG 111 N -1.47 2.68 -3.35 1.61 0.63 -1.19 -4.53 116.66 111.04 3k2g n ARG 111 Ca 0.00 0.95 -0.14 0.00 -0.92 0.00 0.00 57.85 57.74 3k2g n ARG 111 Cb 0.17 -2.72 -0.08 0.00 0.45 0.00 0.00 32.46 30.29 3k2g n ARG 111 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 3k2g s ASP 112 N 0.35 0.99 0.42 6.15 -1.08 -1.26 -5.01 116.67 117.23 3k2g s ASP 112 Ca 0.62 -0.86 0.11 0.00 -0.52 0.00 0.00 52.55 51.90 3k2g s ASP 112 Cb -0.50 0.77 0.95 0.00 -1.46 0.00 0.00 42.92 42.69 3k2g s ASP 112 CO 0.52 -0.33 2.01 1.55 0.52 0.00 0.00 175.17 179.44 3k2g h PRO 113 N 7.86 0.47 -0.38 4.34 0.13 -1.93 -1.59 132.00 140.90 3k2g h PRO 113 Ca -0.06 -0.03 -0.01 0.00 -0.87 0.00 0.00 66.00 65.03 3k2g h PRO 113 Cb 1.09 -0.11 -0.02 0.00 0.13 0.00 0.00 31.00 32.09 3k2g h PRO 113 CO 0.27 0.31 0.20 0.28 -0.23 0.00 0.00 178.00 178.83 3k2g h VAL 114 N 0.48 1.15 -0.16 1.56 2.07 -1.95 -1.14 116.25 118.27 3k2g h VAL 114 Ca 0.23 -0.39 -0.16 0.00 0.82 0.00 0.00 66.70 67.19 3k2g h VAL 114 Cb 0.28 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 30.77 3k2g h VAL 114 CO -0.06 0.16 -0.58 0.11 0.02 0.00 0.00 177.57 177.21 3k2g h LYS 115 N 0.48 0.51 -0.80 1.57 1.57 -1.85 -2.71 116.57 115.33 3k2g h LYS 115 Ca 0.13 -0.34 -0.04 0.00 -1.87 0.00 0.00 60.65 58.54 3k2g h LYS 115 Cb 0.07 0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.39 3k2g h LYS 115 CO -0.02 0.95 0.34 -0.07 -0.57 0.00 0.00 179.45 180.08 3k2g h LEU 116 N 0.38 1.08 -1.01 2.94 3.38 -1.06 -1.44 115.31 119.58 3k2g h LEU 116 Ca -0.00 -0.15 -0.07 0.00 0.09 0.00 0.00 57.88 57.74 3k2g h LEU 116 Cb 1.13 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.58 3k2g h LEU 116 CO 0.11 0.94 -0.06 0.03 0.09 0.00 0.00 178.44 179.55 3k2g h ARG 117 N 1.16 0.64 -0.47 1.13 3.08 -1.11 -0.35 114.38 118.45 3k2g h ARG 117 Ca 0.27 -0.18 -0.07 0.00 0.07 0.00 0.00 59.98 60.07 3k2g h ARG 117 Cb 0.18 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.14 3k2g h ARG 117 CO -0.03 0.70 0.01 0.00 -1.07 0.00 0.00 179.97 179.59 3k2g h ARG 118 N 0.59 0.82 -0.41 0.04 3.08 -1.12 -0.74 114.38 116.65 3k2g h ARG 118 Ca 0.11 -0.25 -0.04 0.00 0.07 0.00 0.00 59.98 59.87 3k2g h ARG 118 Cb 0.47 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.43 3k2g h ARG 118 CO 0.02 0.86 0.11 0.82 -1.07 0.00 0.00 179.97 180.72 3k2g h ILE 119 N 0.68 1.23 -0.53 2.04 2.04 -0.83 -1.46 117.51 120.68 3k2g h ILE 119 Ca 0.13 -0.76 -0.06 0.00 1.00 0.00 0.00 64.86 65.17 3k2g h ILE 119 Cb 0.49 0.95 -0.02 0.00 -0.74 0.00 0.00 36.82 37.49 3k2g h ILE 119 CO 0.02 0.27 0.10 0.77 0.00 0.00 0.00 178.15 179.31 3k2g h SER 120 N 0.52 0.82 -0.35 1.72 4.64 -0.97 -1.28 113.55 118.66 3k2g h SER 120 Ca 0.13 -0.25 -0.01 0.00 -0.47 0.00 0.00 61.79 61.19 3k2g h SER 120 Cb 0.29 -0.22 -0.02 0.00 -0.31 0.00 0.00 62.40 62.15 3k2g h SER 120 CO -0.00 0.87 0.17 0.00 -0.87 0.00 0.00 176.83 177.00 3k2g h ALA 121 N 0.99 0.44 0.00 5.18 0.00 -1.03 0.18 119.26 125.02 3k2g h ALA 121 Ca 0.16 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.88 3k2g h ALA 121 Cb 0.39 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3k2g h ALA 121 CO 0.01 -0.00 -0.45 0.93 0.00 0.00 0.00 179.25 179.73 3k2g h GLU 122 N 0.42 0.00 0.00 0.00 4.39 -1.20 -3.33 114.58 114.87 3k2g h GLU 122 Ca 0.12 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.80 3k2g h GLU 122 Cb 0.10 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.75 3k2g h GLU 122 CO -0.02 0.45 -1.84 0.25 -1.16 0.00 0.00 179.01 176.69 3k2g n THR 123 N -3.39 0.09 -0.92 1.13 -2.24 -0.49 -4.98 114.28 103.47 3k2g n THR 123 Ca 0.01 -0.43 0.00 0.00 -2.27 0.00 0.00 64.05 61.36 3k2g n THR 123 Cb 0.62 0.04 0.00 0.00 -2.10 0.00 0.00 70.33 68.89 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 1.53 0.94 3.74 3.38 0.00 0.63 -4.94 105.19 110.46 3k2g n GLY 124 Ca -0.05 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.58 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 -3.73 4.91 0.23 1.61 1.01 -1.23 -5.00 120.40 118.20 3k2g s VAL 125 Ca 0.00 1.43 -0.30 0.00 0.00 0.00 0.00 61.98 63.11 3k2g s VAL 125 Cb 0.00 -4.03 -0.09 0.00 0.00 0.00 0.00 36.38 32.27 3k2g s VAL 125 CO 0.00 0.34 1.05 -1.10 0.00 0.00 0.00 175.10 175.39 3k2g s GLN 126 N 0.25 4.68 -0.09 2.72 -0.21 -0.41 -4.38 119.66 122.22 3k2g s GLN 126 Ca 0.36 1.68 0.03 0.00 0.02 0.00 0.00 55.36 57.44 3k2g s GLN 126 Cb -0.19 -3.25 0.01 0.00 1.00 0.00 0.00 33.01 30.58 3k2g s GLN 126 CO 0.19 0.24 -0.19 0.08 -2.12 0.00 0.00 175.29 173.50 3k2g s VAL 127 N -0.79 1.65 0.16 1.09 1.01 -1.26 -0.42 120.40 121.84 3k2g s VAL 127 Ca 0.45 -0.78 0.02 0.00 0.00 0.00 0.00 61.98 61.68 3k2g s VAL 127 Cb -0.29 -1.45 0.02 0.00 0.00 0.00 0.00 36.38 34.66 3k2g s VAL 127 CO 0.36 0.47 0.17 0.52 0.00 0.00 0.00 175.10 176.62 3k2g n VAL 128 N 3.68 0.00 -3.72 2.92 0.31 -0.71 -0.71 118.33 120.10 3k2g n VAL 128 Ca -0.21 -0.60 -0.02 0.00 -0.01 0.00 0.00 64.34 63.50 3k2g n VAL 128 Cb 0.52 -0.58 -0.00 0.00 -0.91 0.00 0.00 33.84 32.87 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 3.02 3.25 3.85 2.92 0.00 -0.80 -0.84 105.19 116.60 3k2g n GLY 130 Ca 0.02 -1.47 -0.06 0.00 0.00 0.00 0.00 46.02 44.51 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 -1.80 -1.22 0.00 4.61 0.00 -1.22 -4.79 121.76 117.34 3k2g s ALA 131 Ca 0.03 -0.50 0.00 0.00 0.00 0.00 0.00 51.96 51.49 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 -1.03 0.00 0.41 0.00 0.00 0.00 175.76 175.16 3k2g n GLY 132 N -0.62 -2.09 3.67 0.00 0.00 -1.26 -1.19 105.19 103.70 3k2g n GLY 132 Ca -0.05 -2.04 -0.32 0.00 0.00 0.00 0.00 46.02 43.61 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 -0.15 3.02 0.00 1.61 2.02 -1.26 -1.80 117.35 120.79 3k2g s TYR 133 Ca 0.00 0.03 0.00 0.00 -0.37 0.00 0.00 57.07 56.73 3k2g s TYR 133 Cb 0.00 -1.62 0.00 0.00 -0.40 0.00 0.00 41.96 39.94 3k2g s TYR 133 CO 0.00 0.46 0.00 0.98 -1.57 0.00 0.00 175.55 175.42 3k2g n TYR 134 N 1.14 0.00 -1.74 2.71 9.36 -1.24 -1.71 117.16 125.69 3k2g n TYR 134 Ca -0.13 0.00 -0.37 0.00 3.32 0.00 0.00 57.90 60.72 3k2g n TYR 134 Cb 0.52 0.00 0.07 0.00 -0.63 0.00 0.00 39.34 39.30 3k2g n TYR 134 CO 0.00 0.00 0.00 -0.51 0.22 0.00 0.00 176.86 176.57 3k2g s LEU 135 N 0.00 3.57 0.27 2.98 1.43 -1.26 -3.89 118.68 121.77 3k2g s LEU 135 Ca 0.00 2.62 -0.03 0.00 -1.03 0.00 0.00 54.13 55.69 3k2g s LEU 135 Cb 0.00 -4.62 0.57 0.00 0.03 0.00 0.00 46.19 42.17 3k2g s LEU 135 CO 0.00 -2.01 1.62 0.00 0.23 0.00 0.00 176.35 176.19 3k2g h ALA 136 N 0.53 0.98 0.00 4.21 0.00 -1.97 0.17 119.26 123.19 3k2g h ALA 136 Ca -0.51 0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.66 3k2g h ALA 136 Cb 1.34 0.43 0.00 0.00 0.00 0.00 0.00 17.79 19.56 3k2g h ALA 136 CO 0.53 -0.46 0.00 -1.13 0.00 0.00 0.00 179.25 178.19 3k2g n SER 137 N -5.35 0.00 -3.76 0.00 3.41 -1.26 -4.91 113.62 101.76 3k2g n SER 137 Ca 0.17 -0.12 -0.28 0.00 -0.26 0.00 0.00 58.87 58.38 3k2g n SER 137 Cb 0.58 -0.11 -0.11 0.00 -0.26 0.00 0.00 64.21 64.32 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 -1.11 3.07 -4.50 4.04 3.41 0.04 -4.98 113.62 113.60 3k2g n SER 138 Ca 0.06 -3.24 -0.24 0.00 -0.26 0.00 0.00 58.87 55.19 3k2g n SER 138 Cb 0.05 -0.73 -0.10 0.00 -0.26 0.00 0.00 64.21 63.17 3k2g n SER 138 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 3k2g s PRO 140 N -1.68 1.77 0.33 4.33 0.04 -1.26 -4.41 135.00 134.12 3k2g s PRO 140 Ca 0.29 -1.74 0.05 0.00 0.04 0.00 0.00 61.00 59.64 3k2g s PRO 140 Cb 0.01 -1.82 0.68 0.00 0.04 0.00 0.00 34.50 33.42 3k2g s PRO 140 CO -0.13 0.32 1.89 0.93 0.04 0.00 0.00 177.00 180.05 3k2g h GLU 141 N 2.20 0.83 -0.04 4.56 5.08 -2.03 -1.97 114.58 123.20 3k2g h GLU 141 Ca -0.41 -0.05 0.01 0.00 -1.00 0.00 0.00 59.36 57.91 3k2g h GLU 141 Cb 1.26 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 30.32 3k2g h GLU 141 CO 0.61 0.55 0.03 1.79 -1.00 0.00 0.00 179.01 180.99 3k2g h THR 142 N 0.85 0.80 0.00 1.13 1.35 -2.04 -2.48 112.91 112.52 3k2g h THR 142 Ca 0.42 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.28 3k2g h THR 142 Cb 0.46 0.98 0.00 0.00 -1.73 0.00 0.00 68.15 67.85 3k2g h THR 142 CO -0.18 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.09 3k2g h ALA 143 N 1.97 1.00 -0.59 6.62 0.00 -1.75 -3.11 119.26 123.40 3k2g h ALA 143 Ca 0.02 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 3k2g h ALA 143 Cb 0.08 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 3k2g h ALA 143 CO -0.00 0.00 0.33 0.00 0.00 0.00 0.00 179.25 179.58 3k2g h ALA 144 N 2.01 0.75 0.00 0.00 0.00 -1.60 -2.83 119.26 117.59 3k2g h ALA 144 Ca 0.00 -0.10 -0.12 0.00 0.00 0.00 0.00 54.91 54.70 3k2g h ALA 144 Cb 0.34 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 3k2g h ALA 144 CO 0.00 0.27 -0.56 0.07 0.00 0.00 0.00 179.25 179.03 3k2g h ARG 145 N 0.80 0.00 -6.75 0.00 0.11 -1.75 -3.45 114.38 103.34 3k2g h ARG 145 Ca 0.21 0.00 -0.53 0.00 0.10 0.00 0.00 59.98 59.76 3k2g h ARG 145 Cb 0.04 0.00 0.07 0.00 1.11 0.00 0.00 29.97 31.19 3k2g h ARG 145 CO -0.03 0.56 0.87 -0.51 0.10 0.00 0.00 179.97 180.96 3k2g s LEU 146 N -7.19 4.36 0.59 0.08 1.43 -1.07 -5.03 118.68 111.85 3k2g s LEU 146 Ca -0.00 2.83 -0.01 0.00 -1.03 0.00 0.00 54.13 55.92 3k2g s LEU 146 Cb 0.11 -3.62 0.04 0.00 0.03 0.00 0.00 46.19 42.75 3k2g s LEU 146 CO 0.74 -0.86 0.83 -0.94 0.23 0.00 0.00 176.35 176.35 3k2g s SER 147 N 0.64 5.18 0.20 2.29 1.04 -1.26 -4.90 113.70 116.89 3k2g s SER 147 Ca 0.65 0.12 -0.10 0.00 0.48 0.00 0.00 55.95 57.09 3k2g s SER 147 Cb -0.46 -0.96 0.23 0.00 0.10 0.00 0.00 66.02 64.93 3k2g s SER 147 CO 0.43 -1.24 1.77 0.00 0.98 0.00 0.00 173.24 175.18 3k2g h ALA 148 N -0.09 0.78 -0.48 5.32 0.00 -1.96 -1.10 119.26 121.73 3k2g h ALA 148 Ca -0.43 0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.48 3k2g h ALA 148 Cb 1.30 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.04 3k2g h ALA 148 CO 0.54 -0.10 0.09 -0.44 0.00 0.00 0.00 179.25 179.34 3k2g h ASP 149 N 0.50 0.69 -0.83 0.00 3.32 -1.92 -0.98 116.42 117.20 3k2g h ASP 149 Ca 0.28 -0.12 -0.03 0.00 0.02 0.00 0.00 57.03 57.17 3k2g h ASP 149 Cb 0.26 -0.18 -0.04 0.00 0.22 0.00 0.00 39.33 39.59 3k2g h ASP 149 CO -0.23 0.70 0.39 0.44 -1.72 0.00 0.00 179.24 178.82 3k2g h ASP 150 N 0.71 1.09 -0.48 6.45 3.32 -1.63 0.21 116.42 126.09 3k2g h ASP 150 Ca 0.16 -0.14 -0.03 0.00 0.02 0.00 0.00 57.03 57.04 3k2g h ASP 150 Cb 0.30 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.55 3k2g h ASP 150 CO 0.00 0.93 0.19 0.40 -1.72 0.00 0.00 179.24 179.04 3k2g h ILE 151 N 1.18 1.21 -0.56 0.35 2.04 -0.53 -1.74 117.51 119.47 3k2g h ILE 151 Ca 0.28 -0.66 -0.06 0.00 1.00 0.00 0.00 64.86 65.42 3k2g h ILE 151 Cb 0.13 0.74 -0.02 0.00 -0.74 0.00 0.00 36.82 36.93 3k2g h ILE 151 CO -0.03 0.25 0.10 0.00 0.00 0.00 0.00 178.15 178.46 3k2g h ALA 152 N 1.04 1.11 -0.28 1.87 0.00 -0.75 -2.28 119.26 119.96 3k2g h ALA 152 Ca 0.16 -0.24 0.02 0.00 0.00 0.00 0.00 54.91 54.85 3k2g h ALA 152 Cb 0.20 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 3k2g h ALA 152 CO -0.01 0.59 0.14 -0.44 0.00 0.00 0.00 179.25 179.52 3k2g h ASP 153 N 0.85 0.20 -0.46 0.00 3.32 -0.11 0.26 116.42 120.49 3k2g h ASP 153 Ca 0.18 0.01 0.04 0.00 0.02 0.00 0.00 57.03 57.28 3k2g h ASP 153 Cb 0.37 -0.03 -0.04 0.00 0.22 0.00 0.00 39.33 39.86 3k2g h ASP 153 CO 0.01 0.16 0.23 -0.33 -1.72 0.00 0.00 179.24 177.59 3k2g h GLU 154 N 0.29 0.45 -0.51 3.56 5.08 -1.03 -1.10 114.58 121.32 3k2g h GLU 154 Ca 0.12 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.43 3k2g h GLU 154 Cb 0.04 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.16 3k2g h GLU 154 CO -0.08 0.30 0.26 0.82 -1.00 0.00 0.00 179.01 179.31 3k2g h ILE 155 N 0.47 1.19 -0.74 3.13 2.04 -1.02 -2.23 117.51 120.34 3k2g h ILE 155 Ca 0.20 -0.52 0.04 0.00 1.00 0.00 0.00 64.86 65.59 3k2g h ILE 155 Cb 0.10 0.59 -0.05 0.00 -0.74 0.00 0.00 36.82 36.72 3k2g h ILE 155 CO -0.14 0.21 0.46 0.58 0.00 0.00 0.00 178.15 179.26 3k2g h VAL 156 N 0.68 1.07 -0.94 1.67 2.07 -0.38 -1.45 116.25 118.97 3k2g h VAL 156 Ca 0.18 -0.30 -0.01 0.00 0.82 0.00 0.00 66.70 67.39 3k2g h VAL 156 Cb 0.09 0.12 -0.05 0.00 -1.52 0.00 0.00 31.29 29.94 3k2g h VAL 156 CO -0.02 0.16 0.57 0.00 0.02 0.00 0.00 177.57 178.29 3k2g h ALA 157 N 1.33 1.23 0.00 1.67 0.00 -0.87 -0.72 119.26 121.90 3k2g h ALA 157 Ca 0.31 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.12 3k2g h ALA 157 Cb 0.07 -0.38 0.00 0.00 0.00 0.00 0.00 17.79 17.48 3k2g h ALA 157 CO -0.13 0.66 0.00 0.93 0.00 0.00 0.00 179.25 180.71 3k2g h GLU 158 N 1.30 0.00 0.04 0.00 5.08 -0.79 0.50 114.58 120.71 3k2g h GLU 158 Ca 0.34 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 58.42 3k2g h GLU 158 Cb -0.06 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.16 3k2g h GLU 158 CO -0.06 0.00 -1.52 0.00 -1.00 0.00 0.00 179.01 176.43 3k2g h ALA 159 N 2.07 0.53 0.00 3.43 0.00 -0.22 -1.41 119.26 123.66 3k2g h ALA 159 Ca 0.00 -1.25 -0.23 0.00 0.00 0.00 0.00 54.91 53.43 3k2g h ALA 159 Cb 0.58 0.30 -0.04 0.00 0.00 0.00 0.00 17.79 18.63 3k2g h ALA 159 CO 0.00 1.39 -1.92 1.28 0.00 0.00 0.00 179.25 179.99 3k2g n LEU 160 N -3.24 0.00 -0.01 0.00 4.77 -0.39 -4.67 117.00 113.46 3k2g n LEU 160 Ca -0.14 0.00 -0.02 0.00 -0.03 0.00 0.00 56.01 55.82 3k2g n LEU 160 Cb 1.02 0.32 -0.01 0.00 -2.33 0.00 0.00 43.42 42.42 3k2g n LEU 160 CO 0.47 0.32 -0.15 -0.62 -1.33 0.00 0.00 177.39 176.07 3k2g n GLU 161 N -2.48 0.12 -3.78 3.23 1.02 0.17 -5.07 120.64 113.85 3k2g n GLU 161 Ca -0.21 0.05 0.03 0.00 -0.02 0.00 0.00 57.16 57.00 3k2g n GLU 161 Cb 0.91 -0.57 0.00 0.00 -0.02 0.00 0.00 31.44 31.76 3k2g n GLU 161 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 3k2g s GLY 162 N -3.60 -0.31 -0.04 0.62 0.00 -0.99 -4.73 107.32 98.27 3k2g s GLY 162 Ca -0.06 0.45 0.03 0.00 0.00 0.00 0.00 44.72 45.13 3k2g s GLY 162 CO 0.10 2.81 -0.11 -1.59 0.00 0.00 0.00 173.10 174.31 3k2g s THR 163 N -2.16 0.99 -1.57 0.90 2.01 -0.21 -3.68 115.64 111.92 3k2g s THR 163 Ca 0.22 -0.45 -0.07 0.00 0.31 0.00 0.00 61.69 61.70 3k2g s THR 163 Cb 0.03 -0.88 0.06 0.00 0.01 0.00 0.00 72.50 71.72 3k2g s THR 163 CO -0.03 0.30 0.38 0.47 -0.69 0.00 0.00 174.62 175.06 3k2g n ASP 164 N 3.41 -0.71 0.00 3.53 8.00 -1.26 -0.87 116.55 128.65 3k2g n ASP 164 Ca -0.20 -1.12 0.00 0.00 0.71 0.00 0.00 54.79 54.18 3k2g n ASP 164 Cb 0.53 -2.35 0.00 0.00 -0.02 0.00 0.00 41.12 39.28 3k2g n ASP 164 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3k2g n GLY 165 N -1.95 1.00 3.86 0.44 0.00 -1.26 -5.02 105.19 102.27 3k2g n GLY 165 Ca -0.19 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.59 3k2g n GLY 165 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3k2g s THR 166 N -3.87 2.09 -0.97 2.61 -4.23 -0.05 -5.01 115.64 106.20 3k2g s THR 166 Ca 0.00 -1.48 0.14 0.00 -1.18 0.00 0.00 61.69 59.17 3k2g s THR 166 Cb 0.00 -2.57 0.64 0.00 1.34 0.00 0.00 72.50 71.91 3k2g s THR 166 CO 0.00 0.00 1.51 -0.90 -0.54 0.00 0.00 174.62 174.69 3k2g n ASP 167 N -1.60 4.37 -4.74 3.99 5.68 -1.26 -2.26 116.55 120.73 3k2g n ASP 167 Ca 0.00 -2.49 -0.41 0.00 -0.50 0.00 0.00 54.79 51.39 3k2g n ASP 167 Cb 0.64 -0.57 -0.04 0.00 -1.14 0.00 0.00 41.12 40.01 3k2g n ASP 167 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3k2g s ALA 168 N -1.99 3.34 0.12 2.12 0.00 -1.26 -4.76 121.76 119.33 3k2g s ALA 168 Ca 0.44 0.76 0.09 0.00 0.00 0.00 0.00 51.96 53.25 3k2g s ALA 168 Cb 0.30 -3.33 -0.04 0.00 0.00 0.00 0.00 23.12 20.05 3k2g s ALA 168 CO 0.19 -0.15 -0.18 1.03 0.00 0.00 0.00 175.76 176.65 3k2g s ARG 169 N -0.34 1.78 0.58 0.00 0.52 -1.26 -1.05 118.95 119.18 3k2g s ARG 169 Ca 0.48 -1.20 -0.16 0.00 -0.52 0.00 0.00 55.73 54.34 3k2g s ARG 169 Cb -0.28 -2.10 -0.05 0.00 0.52 0.00 0.00 34.95 33.04 3k2g s ARG 169 CO 0.34 0.47 1.05 0.96 0.02 0.00 0.00 175.30 178.14 3k2g s ILE 170 N -1.19 3.92 0.00 1.52 -4.36 -0.53 -4.50 121.20 116.07 3k2g s ILE 170 Ca 0.18 0.93 0.00 0.00 -0.26 0.00 0.00 60.65 61.50 3k2g s ILE 170 Cb -0.10 -3.44 0.00 0.00 1.25 0.00 0.00 42.46 40.17 3k2g s ILE 170 CO 0.10 -0.52 0.35 0.61 0.24 0.00 0.00 174.94 175.72 3k2g n GLY 171 N -1.04 -0.75 3.29 6.27 0.00 -1.26 -4.76 105.19 106.94 3k2g n GLY 171 Ca 0.08 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.37 0.53 -0.46 0.99 0.20 -1.26 -4.48 118.68 113.83 3k2g s LEU 172 Ca 0.00 0.45 -0.16 0.00 0.69 0.00 0.00 54.13 55.10 3k2g s LEU 172 Cb 0.00 1.45 0.05 0.00 -0.43 0.00 0.00 46.19 47.26 3k2g s LEU 172 CO 0.00 -0.34 0.42 -0.63 -0.29 0.00 0.00 176.35 175.51 3k2g s ILE 173 N -0.69 5.15 0.00 6.68 1.01 -0.16 -3.39 121.20 129.81 3k2g s ILE 173 Ca -0.08 -0.75 0.00 0.00 0.00 0.00 0.00 60.65 59.82 3k2g s ILE 173 Cb -0.04 -4.10 0.00 0.00 0.01 0.00 0.00 42.46 38.33 3k2g s ILE 173 CO 0.03 -0.53 0.00 0.61 0.00 0.00 0.00 174.94 175.05 3k2g n GLY 174 N 5.17 0.36 0.72 6.18 0.00 -0.34 -4.28 105.19 113.01 3k2g n GLY 174 Ca -0.10 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 44.90 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 -0.45 0.00 -2.77 1.61 4.07 -1.26 -3.98 120.64 117.86 3k2g n GLU 175 Ca 0.00 0.00 -0.41 0.00 -0.06 0.00 0.00 57.16 56.69 3k2g n GLU 175 Cb 0.00 -0.88 -0.04 0.00 -0.06 0.00 0.00 31.44 30.47 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 -2.42 4.84 -0.28 6.31 -1.09 -1.26 -4.53 121.20 122.78 3k2g s ILE 176 Ca 0.00 1.95 -0.29 0.00 -2.23 0.00 0.00 60.65 60.08 3k2g s ILE 176 Cb 0.00 -4.27 0.00 0.00 -1.58 0.00 0.00 42.46 36.61 3k2g s ILE 176 CO 0.00 0.20 1.21 -0.83 -1.23 0.00 0.00 174.94 174.29 3k2g s GLY 177 N 0.81 1.50 -0.20 6.18 0.00 -0.69 -0.40 107.32 114.52 3k2g s GLY 177 Ca 0.49 0.13 0.01 0.00 0.00 0.00 0.00 44.72 45.34 3k2g s GLY 177 CO 0.27 2.45 -0.09 0.14 0.00 0.00 0.00 173.10 175.87 3k2g s VAL 178 N 3.92 1.51 0.61 1.40 1.01 -1.15 -4.53 120.40 123.16 3k2g s VAL 178 Ca 0.52 -0.94 0.00 0.00 0.00 0.00 0.00 61.98 61.56 3k2g s VAL 178 Cb -0.16 -1.63 0.06 0.00 0.00 0.00 0.00 36.38 34.65 3k2g s VAL 178 CO 0.18 0.13 0.85 -0.94 0.00 0.00 0.00 175.10 175.32 3k2g s SER 179 N 1.45 5.01 0.61 3.32 1.04 -1.26 -3.57 113.70 120.30 3k2g s SER 179 Ca -0.01 -0.06 0.40 0.00 0.48 0.00 0.00 55.95 56.76 3k2g s SER 179 Cb -0.16 -0.68 2.11 0.00 0.10 0.00 0.00 66.02 67.38 3k2g s SER 179 CO -0.08 -1.36 2.23 0.77 0.98 0.00 0.00 173.24 175.78 3k2g h SER 180 N -0.13 0.00 1.02 7.02 4.64 -1.97 -0.61 113.55 123.51 3k2g h SER 180 Ca -0.41 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.91 3k2g h SER 180 Cb 1.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 3k2g h SER 180 CO 0.50 0.00 -0.79 0.44 -0.87 0.00 0.00 176.83 176.11 3k2g h ASP 181 N 0.00 0.00 -6.61 4.97 3.32 -2.02 -3.49 116.42 112.59 3k2g h ASP 181 Ca 0.00 -0.08 -0.52 0.00 0.02 0.00 0.00 57.03 56.45 3k2g h ASP 181 Cb 0.10 0.00 0.03 0.00 0.22 0.00 0.00 39.33 39.68 3k2g h ASP 181 CO 0.00 0.04 -0.98 0.33 -1.72 0.00 0.00 179.24 176.91 3k2g n PHE 182 N -2.50 -1.63 -0.56 4.55 -0.00 -0.24 -4.89 117.46 112.18 3k2g n PHE 182 Ca 0.01 0.25 -0.30 0.00 -0.00 0.00 0.00 57.45 57.42 3k2g n PHE 182 Cb 0.51 -3.09 0.22 0.00 -0.00 0.00 0.00 39.48 37.11 3k2g n PHE 182 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.76 177.01 3k2g n THR 183 N -4.65 0.00 -0.28 -2.13 -2.24 -1.26 -4.71 114.28 99.00 3k2g n THR 183 Ca -0.10 -0.25 -0.03 0.00 -2.27 0.00 0.00 64.05 61.40 3k2g n THR 183 Cb 0.58 -0.99 0.09 0.00 -2.10 0.00 0.00 70.33 67.91 3k2g n THR 183 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3k2g h ALA 184 N -2.34 1.02 -0.37 6.98 0.00 -1.99 -0.77 119.26 121.78 3k2g h ALA 184 Ca -0.53 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.27 3k2g h ALA 184 Cb 1.31 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 3k2g h ALA 184 CO 0.45 0.32 -0.07 0.93 0.00 0.00 0.00 179.25 180.88 3k2g h GLU 185 N 0.98 0.63 -0.02 0.00 4.39 -1.99 -1.23 114.58 117.35 3k2g h GLU 185 Ca 0.31 -0.18 -0.16 0.00 0.34 0.00 0.00 59.36 59.67 3k2g h GLU 185 Cb -0.01 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 28.56 3k2g h GLU 185 CO -0.10 0.70 -0.74 0.93 -1.16 0.00 0.00 179.01 178.64 3k2g h GLU 186 N 0.58 0.11 -0.33 2.33 5.08 -1.72 -0.79 114.58 119.84 3k2g h GLU 186 Ca 0.11 -0.10 -0.11 0.00 -1.00 0.00 0.00 59.36 58.26 3k2g h GLU 186 Cb 0.48 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 3k2g h GLU 186 CO 0.03 0.80 -0.21 1.49 -1.00 0.00 0.00 179.01 180.12 3k2g h GLU 187 N 0.07 0.72 -0.70 2.33 4.81 -0.81 -0.30 114.58 120.71 3k2g h GLU 187 Ca -0.02 -0.34 -0.04 0.00 -0.13 0.00 0.00 59.36 58.83 3k2g h GLU 187 Cb 1.30 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.64 3k2g h GLU 187 CO 0.11 0.95 0.27 -0.22 -0.73 0.00 0.00 179.01 179.39 3k2g h LYS 188 N 0.49 1.04 -0.07 1.92 3.64 -1.14 0.05 116.57 122.49 3k2g h LYS 188 Ca 0.07 -0.19 0.00 0.00 -1.27 0.00 0.00 60.65 59.26 3k2g h LYS 188 Cb 0.76 -0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 32.40 3k2g h LYS 188 CO 0.06 0.87 0.04 1.03 -2.27 0.00 0.00 179.45 179.18 3k2g h SER 189 N 0.99 0.07 -0.77 4.20 0.87 -0.91 -1.19 113.55 116.81 3k2g h SER 189 Ca 0.23 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.75 3k2g h SER 189 Cb 0.22 -0.01 -0.03 0.00 -0.44 0.00 0.00 62.40 62.13 3k2g h SER 189 CO -0.02 0.05 0.31 0.25 -0.53 0.00 0.00 176.83 176.90 3k2g h LEU 190 N 0.09 1.06 -0.82 2.23 5.85 -0.73 -0.99 115.31 122.01 3k2g h LEU 190 Ca 0.03 -0.16 -0.08 0.00 0.84 0.00 0.00 57.88 58.50 3k2g h LEU 190 Cb -0.00 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 40.73 3k2g h LEU 190 CO -0.01 0.94 -0.03 0.03 -0.34 0.00 0.00 178.44 179.03 3k2g h ARG 191 N 1.13 0.85 -0.64 1.25 3.08 -0.80 0.11 114.38 119.35 3k2g h ARG 191 Ca 0.26 -0.25 -0.08 0.00 0.07 0.00 0.00 59.98 59.98 3k2g h ARG 191 Cb 0.21 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.14 3k2g h ARG 191 CO -0.02 0.87 0.08 0.78 -1.07 0.00 0.00 179.97 180.61 3k2g h GLY 192 N 0.98 1.15 0.97 0.04 0.00 -0.78 -0.47 103.07 104.95 3k2g h GLY 192 Ca 0.14 -0.77 -0.06 0.00 0.00 0.00 0.00 47.33 46.64 3k2g h GLY 192 CO 0.03 0.71 0.02 0.00 0.00 0.00 0.00 176.54 177.30 3k2g h ALA 193 N 1.09 0.58 -0.54 3.60 0.00 -0.69 -1.19 119.26 122.11 3k2g h ALA 193 Ca 0.19 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 3k2g h ALA 193 Cb 0.45 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 3k2g h ALA 193 CO 0.02 0.36 0.29 0.00 0.00 0.00 0.00 179.25 179.91 3k2g h ALA 194 N 0.91 0.69 -0.46 0.00 0.00 -0.51 -0.21 119.26 119.68 3k2g h ALA 194 Ca 0.13 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 3k2g h ALA 194 Cb 0.46 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 3k2g h ALA 194 CO 0.02 0.22 0.01 0.00 0.00 0.00 0.00 179.25 179.50 3k2g h ARG 195 N 0.72 0.75 -0.09 0.00 3.08 -0.96 -1.82 114.38 116.06 3k2g h ARG 195 Ca 0.19 -0.19 -0.07 0.00 0.07 0.00 0.00 59.98 59.98 3k2g h ARG 195 Cb 0.06 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.01 3k2g h ARG 195 CO -0.03 0.75 -0.27 0.00 -1.07 0.00 0.00 179.97 179.35 3k2g h ALA 196 N 1.31 1.39 -0.49 0.04 0.00 -0.58 -1.33 119.26 119.60 3k2g h ALA 196 Ca 0.14 -0.29 -0.09 0.00 0.00 0.00 0.00 54.91 54.67 3k2g h ALA 196 Cb 0.42 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 3k2g h ALA 196 CO 0.02 0.43 -0.05 0.37 0.00 0.00 0.00 179.25 180.02 3k2g h GLN 197 N 0.14 0.86 -0.12 0.00 -0.00 -0.22 0.14 115.11 115.90 3k2g h GLN 197 Ca 0.02 -0.27 -0.05 0.00 -0.00 0.00 0.00 58.65 58.35 3k2g h GLN 197 Cb 0.56 -0.08 -0.00 0.00 0.00 0.00 0.00 27.48 27.96 3k2g h GLN 197 CO 0.04 0.89 -0.13 0.28 0.00 0.00 0.00 178.83 179.91 3k2g h VAL 198 N 0.78 1.36 -0.37 2.39 2.07 -0.96 0.14 116.25 121.67 3k2g h VAL 198 Ca 0.14 -1.31 -0.06 0.00 0.82 0.00 0.00 66.70 66.30 3k2g h VAL 198 Cb 0.54 1.94 -0.01 0.00 -1.52 0.00 0.00 31.29 32.24 3k2g h VAL 198 CO 0.03 0.38 0.00 0.03 0.02 0.00 0.00 177.57 178.03 3k2g h ARG 199 N -0.09 0.65 0.00 1.57 3.08 -1.10 -3.31 114.38 115.17 3k2g h ARG 199 Ca 0.02 -0.20 -0.12 0.00 0.07 0.00 0.00 59.98 59.74 3k2g h ARG 199 Cb 0.66 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.63 3k2g h ARG 199 CO 0.03 0.75 -1.49 0.25 -1.07 0.00 0.00 179.97 178.45 3k2g n THR 200 N -4.49 0.91 -1.04 2.04 -2.24 0.46 -2.57 114.28 107.36 3k2g n THR 200 Ca -0.01 -0.65 -0.01 0.00 -2.27 0.00 0.00 64.05 61.11 3k2g n THR 200 Cb 0.27 -0.52 -0.01 0.00 -2.10 0.00 0.00 70.33 67.98 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 0.48 3.90 3.38 0.00 0.50 -0.96 105.19 113.86 3k2g n GLY 201 Ca -0.09 -0.21 -0.28 0.00 0.00 0.00 0.00 46.02 45.45 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 -0.30 3.33 0.75 0.99 1.43 -1.25 -0.95 118.68 122.68 3k2g s LEU 202 Ca 0.00 0.95 -0.12 0.00 -1.03 0.00 0.00 54.13 53.94 3k2g s LEU 202 Cb 0.00 -3.86 0.04 0.00 0.03 0.00 0.00 46.19 42.40 3k2g s LEU 202 CO 0.00 -0.89 1.10 -2.84 0.23 0.00 0.00 176.35 173.94 3k2g s PRO 203 N -4.98 2.38 0.50 1.29 0.02 -1.26 -4.76 135.00 128.19 3k2g s PRO 203 Ca 0.52 1.23 0.01 0.00 0.02 0.00 0.00 61.00 62.78 3k2g s PRO 203 Cb -0.11 -1.91 -0.01 0.00 0.02 0.00 0.00 34.50 32.50 3k2g s PRO 203 CO 0.47 -1.56 0.04 -1.17 -0.33 0.00 0.00 177.00 174.45 3k2g s LEU 204 N -5.67 2.15 -0.30 -5.54 2.96 -0.27 -0.98 118.68 111.03 3k2g s LEU 204 Ca 0.63 -1.71 -0.16 0.00 -0.22 0.00 0.00 54.13 52.67 3k2g s LEU 204 Cb -0.18 -0.54 0.20 0.00 0.50 0.00 0.00 46.19 46.16 3k2g s LEU 204 CO 0.52 -0.93 1.20 -0.69 -1.32 0.00 0.00 176.35 175.13 3k2g s VAL 206 N -2.97 -0.01 0.06 1.68 1.01 0.13 0.12 120.40 120.43 3k2g s VAL 206 Ca 0.07 0.00 -0.30 0.00 0.00 0.00 0.00 61.98 61.74 3k2g s VAL 206 Cb 0.01 -1.00 -0.05 0.00 0.00 0.00 0.00 36.38 35.33 3k2g s VAL 206 CO 0.04 0.00 1.15 -2.28 0.00 0.00 0.00 175.10 174.02 3k2g s HIS 207 N 1.20 3.49 0.14 5.22 5.65 0.46 -1.26 115.29 130.19 3k2g s HIS 207 Ca -0.08 1.40 0.10 0.00 0.25 0.00 0.00 55.06 56.73 3k2g s HIS 207 Cb -0.02 -3.36 -0.04 0.00 -1.18 0.00 0.00 32.58 27.98 3k2g s HIS 207 CO -0.11 -1.00 -0.22 -0.51 -0.65 0.00 0.00 174.74 172.24 3k2g s LEU 208 N 0.91 2.51 -0.95 8.88 1.43 -1.26 -2.93 118.68 127.28 3k2g s LEU 208 Ca 0.57 -0.70 -0.24 0.00 -1.03 0.00 0.00 54.13 52.73 3k2g s LEU 208 Cb -0.28 -1.34 0.04 0.00 0.03 0.00 0.00 46.19 44.64 3k2g s LEU 208 CO 0.30 0.16 1.41 -2.16 0.23 0.00 0.00 176.35 176.28 3k2g s PRO 209 N -2.26 3.48 0.56 1.29 0.04 -1.23 -4.78 135.00 132.10 3k2g s PRO 209 Ca 0.17 -0.88 0.37 0.00 0.04 0.00 0.00 61.00 60.70 3k2g s PRO 209 Cb -0.10 -5.04 1.51 0.00 0.04 0.00 0.00 34.50 30.91 3k2g s PRO 209 CO 0.09 -2.20 1.72 0.78 0.04 0.00 0.00 177.00 177.43 3k2g h GLY 210 N 12.87 0.00 -0.72 0.56 0.00 -1.89 -0.80 103.07 113.08 3k2g h GLY 210 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.40 3k2g h GLY 210 CO 1.39 0.00 0.00 0.79 0.00 0.00 0.00 176.54 178.72 3k2g n TRP 211 N -3.97 0.18 -3.72 5.60 8.01 -1.26 -3.92 117.44 118.35 3k2g n TRP 211 Ca 0.27 -0.09 -0.02 0.00 -1.31 0.00 0.00 57.50 56.35 3k2g n TRP 211 Cb 1.35 0.00 -0.00 0.00 -2.01 0.00 0.00 31.31 30.65 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 0.26 -0.87 -3.12 -5.99 3.72 -0.31 -5.03 117.46 106.13 3k2g n PHE 212 Ca 0.16 -0.13 -0.22 0.00 -0.05 0.00 0.00 57.45 57.22 3k2g n PHE 212 Cb 0.32 -0.02 -0.04 0.00 -0.94 0.00 0.00 39.48 38.80 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 -0.38 1.74 0.00 -1.08 5.12 -1.26 -4.88 116.66 115.92 3k2g n ARG 213 Ca -0.01 -3.89 0.12 0.00 -1.93 0.00 0.00 57.85 52.15 3k2g n ARG 213 Cb 0.03 -1.87 0.12 0.00 -1.16 0.00 0.00 32.46 29.58 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 0.19 2.84 -0.24 0.55 4.77 -1.26 -4.60 117.00 119.25 3k2g n LEU 214 Ca 0.27 -0.95 0.03 0.00 -0.03 0.00 0.00 56.01 55.33 3k2g n LEU 214 Cb 0.56 -0.00 0.16 0.00 -2.33 0.00 0.00 43.42 41.80 3k2g n LEU 214 CO 0.26 0.48 1.02 0.00 -1.33 0.00 0.00 177.39 177.82 3k2g h ALA 215 N 4.63 0.98 -0.21 -1.18 0.00 -1.96 0.38 119.26 121.91 3k2g h ALA 215 Ca 0.00 0.09 -0.11 0.00 0.00 0.00 0.00 54.91 54.89 3k2g h ALA 215 Cb 0.95 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 3k2g h ALA 215 CO 0.00 -0.16 -0.33 0.45 0.00 0.00 0.00 179.25 179.21 3k2g h HIS 216 N 0.48 0.51 -0.29 0.00 3.86 -1.97 -0.28 115.15 117.46 3k2g h HIS 216 Ca 0.37 -0.12 -0.13 0.00 -1.16 0.00 0.00 60.37 59.33 3k2g h HIS 216 Cb 0.50 -0.12 -0.01 0.00 1.06 0.00 0.00 27.41 28.85 3k2g h HIS 216 CO -0.15 0.72 -0.35 -0.09 0.86 0.00 0.00 177.93 178.92 3k2g h ARG 217 N 0.38 0.65 -0.16 2.45 2.43 -1.67 -0.22 114.38 118.24 3k2g h ARG 217 Ca 0.05 -0.31 -0.02 0.00 -0.81 0.00 0.00 59.98 58.89 3k2g h ARG 217 Cb 0.77 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.31 3k2g h ARG 217 CO 0.06 0.91 0.03 0.28 -1.51 0.00 0.00 179.97 179.74 3k2g h VAL 218 N 0.55 1.21 -0.13 0.20 2.07 -0.46 -2.13 116.25 117.55 3k2g h VAL 218 Ca 0.06 -0.66 -0.05 0.00 0.82 0.00 0.00 66.70 66.87 3k2g h VAL 218 Cb 0.86 1.35 -0.01 0.00 -1.52 0.00 0.00 31.29 31.97 3k2g h VAL 218 CO 0.07 0.20 -0.12 -0.07 0.02 0.00 0.00 177.57 177.67 3k2g h LEU 219 N 0.05 0.19 0.23 2.57 3.38 -0.93 -1.13 115.31 119.68 3k2g h LEU 219 Ca 0.05 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 3k2g h LEU 219 Cb 0.28 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.98 3k2g h LEU 219 CO 0.00 0.34 -0.11 0.44 0.09 0.00 0.00 178.44 179.20 3k2g h ASP 220 N 0.20 -0.27 -0.05 -0.43 3.32 -0.74 0.35 116.42 118.80 3k2g h ASP 220 Ca 0.04 -0.05 0.03 0.00 0.02 0.00 0.00 57.03 57.07 3k2g h ASP 220 Cb 0.35 0.07 -0.03 0.00 0.22 0.00 0.00 39.33 39.94 3k2g h ASP 220 CO 0.02 -0.12 -0.12 0.25 -1.72 0.00 0.00 179.24 177.55 3k2g h LEU 221 N -0.39 -0.35 -0.68 1.55 6.46 -0.98 -0.35 115.31 120.57 3k2g h LEU 221 Ca -0.03 0.06 0.06 0.00 -0.12 0.00 0.00 57.88 57.84 3k2g h LEU 221 Cb 0.30 0.16 -0.05 0.00 -0.73 0.00 0.00 40.66 40.33 3k2g h LEU 221 CO 0.05 -0.16 0.39 0.58 -0.62 0.00 0.00 178.44 178.68 3k2g h VAL 222 N -0.17 0.99 -0.41 1.05 2.07 -1.13 -1.74 116.25 116.90 3k2g h VAL 222 Ca 0.06 -0.25 -0.03 0.00 0.82 0.00 0.00 66.70 67.30 3k2g h VAL 222 Cb 0.25 0.20 -0.02 0.00 -1.52 0.00 0.00 31.29 30.21 3k2g h VAL 222 CO -0.15 0.13 0.12 -0.08 0.02 0.00 0.00 177.57 177.61 3k2g h GLU 223 N 0.72 0.64 0.00 1.57 4.81 -0.50 -1.94 114.58 119.87 3k2g h GLU 223 Ca 0.30 -0.14 -0.03 0.00 -0.13 0.00 0.00 59.36 59.36 3k2g h GLU 223 Cb 0.17 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.45 3k2g h GLU 223 CO -0.17 0.64 -0.14 1.05 -0.73 0.00 0.00 179.01 179.66 3k2g h GLU 224 N 0.51 0.00 -0.01 1.92 4.11 -0.70 -0.05 114.58 120.36 3k2g h GLU 224 Ca 0.13 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.56 3k2g h GLU 224 Cb 0.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.52 3k2g h GLU 224 CO -0.00 0.14 0.00 0.39 0.07 0.00 0.00 179.01 179.61 3k2g n GLU 225 N -3.36 1.07 -0.98 1.06 -0.58 -0.69 -4.88 120.64 112.28 3k2g n GLU 225 Ca -0.00 -0.10 0.00 0.00 -0.42 0.00 0.00 57.16 56.64 3k2g n GLU 225 Cb 0.34 -1.35 0.00 0.00 -0.57 0.00 0.00 31.44 29.87 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 0.87 0.50 3.81 0.62 0.00 -0.03 -4.70 105.19 106.25 3k2g n GLY 226 Ca 0.16 -0.05 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 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 2.27 -0.60 4.61 0.00 -0.76 -4.87 121.76 120.42 3k2g s ALA 227 Ca 0.00 -0.19 -0.23 0.00 0.00 0.00 0.00 51.96 51.53 3k2g s ALA 227 Cb 0.00 -3.11 0.05 0.00 0.00 0.00 0.00 23.12 20.06 3k2g s ALA 227 CO 0.00 -1.70 0.95 0.34 0.00 0.00 0.00 175.76 175.34 3k2g s ASP 228 N -3.90 6.26 0.44 0.00 -1.08 -1.26 -4.62 116.67 112.50 3k2g s ASP 228 Ca 0.61 -0.64 0.11 0.00 -0.52 0.00 0.00 52.55 52.10 3k2g s ASP 228 Cb -0.14 -2.43 0.96 0.00 -1.46 0.00 0.00 42.92 39.85 3k2g s ASP 228 CO 0.54 -1.32 2.04 -0.07 0.52 0.00 0.00 175.17 176.88 3k2g h LEU 229 N 11.13 0.25 0.00 -1.34 3.38 -1.92 -1.80 115.31 125.00 3k2g h LEU 229 Ca -0.27 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.68 3k2g h LEU 229 Cb 1.07 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.76 3k2g h LEU 229 CO 1.13 0.25 0.00 0.54 0.09 0.00 0.00 178.44 180.45 3k2g n ARG 230 N -4.43 0.34 -0.98 1.13 1.74 -1.25 -2.08 116.66 111.12 3k2g n ARG 230 Ca -0.00 0.09 0.05 0.00 -0.77 0.00 0.00 57.85 57.22 3k2g n ARG 230 Cb 0.14 -1.50 0.11 0.00 -1.02 0.00 0.00 32.46 30.19 3k2g n ARG 230 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 3k2g n HIS 231 N -1.19 0.00 -4.43 -1.55 8.25 -0.69 -4.85 115.22 110.77 3k2g n HIS 231 Ca 0.10 -0.93 -0.34 0.00 -0.26 0.00 0.00 57.72 56.29 3k2g n HIS 231 Cb 0.11 -0.19 -0.12 0.00 1.12 0.00 0.00 29.99 30.91 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 -1.54 3.88 -0.15 1.59 2.01 -0.89 -1.11 115.64 119.43 3k2g s THR 232 Ca 0.34 -0.37 -0.03 0.00 0.31 0.00 0.00 61.69 61.94 3k2g s THR 232 Cb 0.35 -2.69 -0.02 0.00 0.01 0.00 0.00 72.50 70.15 3k2g s THR 232 CO -0.11 0.51 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.58 3k2g s VAL 233 N 0.20 3.66 -0.33 3.82 1.01 0.33 -1.37 120.40 127.72 3k2g s VAL 233 Ca -0.02 -0.44 -0.14 0.00 0.00 0.00 0.00 61.98 61.38 3k2g s VAL 233 Cb -0.14 -2.59 -0.02 0.00 0.00 0.00 0.00 36.38 33.63 3k2g s VAL 233 CO 0.03 0.50 0.31 -0.76 0.00 0.00 0.00 175.10 175.18 3k2g s LEU 234 N 0.44 4.43 0.72 3.92 1.43 -0.42 -0.69 118.68 128.51 3k2g s LEU 234 Ca -0.05 -0.26 -0.10 0.00 -1.03 0.00 0.00 54.13 52.69 3k2g s LEU 234 Cb -0.15 -2.27 0.05 0.00 0.03 0.00 0.00 46.19 43.85 3k2g s LEU 234 CO 0.03 -0.28 1.08 0.00 0.23 0.00 0.00 176.35 177.41 3k2g n HIS 236 N -3.03 -2.50 0.00 0.00 8.25 -1.13 -4.06 115.22 112.76 3k2g n HIS 236 Ca 0.07 1.49 0.00 0.00 -0.26 0.00 0.00 57.72 59.02 3k2g n HIS 236 Cb 0.59 -2.36 0.00 0.00 1.12 0.00 0.00 29.99 29.34 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 1.88 0.00 0.33 0.41 3.02 -1.26 -4.23 115.26 115.41 3k2g n ASN 238 Ca 0.00 0.00 0.22 0.00 -0.03 0.00 0.00 54.58 54.77 3k2g n ASN 238 Cb 0.00 0.00 1.18 0.00 -0.61 0.00 0.00 39.78 40.35 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 -0.56 3.52 0.11 -1.94 -2.54 132.00 130.59 3k2g h PRO 239 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 3k2g h PRO 239 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 3k2g h PRO 239 CO 0.00 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 176.66 3k2g n SER 240 N -3.03 5.61 -2.20 -2.05 3.41 -1.25 -4.87 113.62 109.24 3k2g n SER 240 Ca -0.03 -2.91 0.00 0.00 -0.26 0.00 0.00 58.87 55.67 3k2g n SER 240 Cb 0.07 -0.67 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 0.59 0.00 -2.79 7.33 1.44 -0.96 -4.48 115.22 116.35 3k2g n HIS 241 Ca 0.27 0.00 -0.06 0.00 -2.01 0.00 0.00 57.72 55.92 3k2g n HIS 241 Cb 1.17 -0.19 0.00 0.00 0.12 0.00 0.00 29.99 31.09 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 1.72 -1.22 0.03 4.39 -0.08 -1.26 -4.75 116.55 115.38 3k2g n ASP 243 Ca 0.00 -0.24 0.13 0.00 -1.51 0.00 0.00 54.79 53.16 3k2g n ASP 243 Cb 0.00 -0.40 0.59 0.00 2.34 0.00 0.00 41.12 43.64 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 0.67 0.19 -0.19 -0.67 0.13 -2.00 -1.77 132.00 128.36 3k2g h PRO 244 Ca -0.16 -0.01 -0.11 0.00 -0.87 0.00 0.00 66.00 64.84 3k2g h PRO 244 Cb 0.36 -0.04 -0.00 0.00 0.13 0.00 0.00 31.00 31.44 3k2g h PRO 244 CO 0.09 0.12 -0.33 0.28 -0.23 0.00 0.00 178.00 177.94 3k2g h VAL 245 N 0.19 1.34 -0.01 1.56 2.07 -1.96 0.84 116.25 120.28 3k2g h VAL 245 Ca 0.19 -1.56 0.01 0.00 0.82 0.00 0.00 66.70 66.16 3k2g h VAL 245 Cb 0.51 1.87 -0.01 0.00 -1.52 0.00 0.00 31.29 32.14 3k2g h VAL 245 CO -0.03 0.48 -0.04 0.22 0.02 0.00 0.00 177.57 178.22 3k2g h TYR 246 N 0.22 -0.09 -0.36 1.57 3.20 -1.80 -0.77 116.97 118.93 3k2g h TYR 246 Ca 0.01 0.00 -0.06 0.00 3.14 0.00 0.00 58.73 61.82 3k2g h TYR 246 Cb 0.92 0.04 -0.01 0.00 1.54 0.00 0.00 36.73 39.22 3k2g h TYR 246 CO 0.09 -0.06 -0.02 1.96 -1.64 0.00 0.00 178.16 178.49 3k2g h GLN 247 N -0.06 0.65 -0.53 1.82 4.20 -1.33 -2.54 115.11 117.31 3k2g h GLN 247 Ca 0.02 -0.22 -0.10 0.00 0.06 0.00 0.00 58.65 58.41 3k2g h GLN 247 Cb 0.09 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.80 3k2g h GLN 247 CO -0.05 0.77 -0.08 0.00 -0.67 0.00 0.00 178.83 178.80 3k2g h ALA 248 N 0.85 0.86 -0.17 3.87 0.00 -0.77 -1.93 119.26 121.97 3k2g h ALA 248 Ca 0.10 -0.33 -0.11 0.00 0.00 0.00 0.00 54.91 54.57 3k2g h ALA 248 Cb 0.49 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 3k2g h ALA 248 CO 0.02 0.65 -0.37 1.79 0.00 0.00 0.00 179.25 181.35 3k2g h THR 249 N 0.86 1.29 -0.53 0.00 1.35 -1.14 -0.25 112.91 114.50 3k2g h THR 249 Ca 0.14 -1.46 -0.06 0.00 -0.55 0.00 0.00 66.41 64.48 3k2g h THR 249 Cb 0.62 1.57 -0.02 0.00 -1.73 0.00 0.00 68.15 68.59 3k2g h THR 249 CO 0.04 0.45 0.09 -0.07 -0.25 0.00 0.00 175.52 175.78 3k2g h LEU 250 N 0.32 0.84 -0.89 3.87 3.38 -1.24 -2.06 115.31 119.53 3k2g h LEU 250 Ca 0.03 -0.26 -0.06 0.00 0.09 0.00 0.00 57.88 57.69 3k2g h LEU 250 Cb 0.79 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.30 3k2g h LEU 250 CO 0.06 0.88 0.15 0.00 0.09 0.00 0.00 178.44 179.63 3k2g h ALA 251 N 0.99 1.10 0.00 1.53 0.00 -1.00 -2.35 119.26 119.52 3k2g h ALA 251 Ca 0.16 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 3k2g h ALA 251 Cb 0.40 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3k2g h ALA 251 CO 0.01 0.60 -0.20 0.37 0.00 0.00 0.00 179.25 180.04 3k2g h GLN 252 N 0.93 0.00 0.00 0.00 5.75 -0.66 -0.30 115.11 120.83 3k2g h GLN 252 Ca 0.20 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.70 3k2g h GLN 252 Cb 0.33 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.88 3k2g h GLN 252 CO -0.00 0.20 0.00 0.00 -2.65 0.00 0.00 178.83 176.38 3k2g h ARG 253 N 0.00 0.00 0.00 1.69 3.08 -0.82 -3.47 114.38 114.86 3k2g h ARG 253 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3k2g h ARG 253 Cb 0.39 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.44 3k2g h ARG 253 CO 0.03 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.34 3k2g n GLY 254 N 0.37 1.54 3.79 0.04 0.00 -0.12 -4.76 105.19 106.06 3k2g n GLY 254 Ca 0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.06 2.58 0.20 4.61 0.00 -1.21 -3.94 121.76 121.94 3k2g s ALA 255 Ca 0.00 0.32 -0.22 0.00 0.00 0.00 0.00 51.96 52.06 3k2g s ALA 255 Cb 0.00 -3.24 -0.08 0.00 0.00 0.00 0.00 23.12 19.80 3k2g s ALA 255 CO 0.00 -1.20 0.75 -0.06 0.00 0.00 0.00 175.76 175.25 3k2g s PHE 256 N -2.67 3.76 -0.37 0.00 0.08 -0.47 -4.47 117.98 113.83 3k2g s PHE 256 Ca 0.62 1.49 -0.10 0.00 0.12 0.00 0.00 56.93 59.06 3k2g s PHE 256 Cb -0.17 -2.68 0.03 0.00 -0.57 0.00 0.00 43.02 39.63 3k2g s PHE 256 CO 0.46 0.41 0.20 -0.51 -0.10 0.00 0.00 175.22 175.68 3k2g s LEU 257 N -1.63 4.69 -0.37 -0.37 1.43 0.20 -1.30 118.68 121.32 3k2g s LEU 257 Ca 0.40 -1.03 -0.14 0.00 -1.03 0.00 0.00 54.13 52.32 3k2g s LEU 257 Cb -0.19 -2.00 0.00 0.00 0.03 0.00 0.00 46.19 44.03 3k2g s LEU 257 CO 0.23 -0.38 0.29 -0.70 0.23 0.00 0.00 176.35 176.01 3k2g s GLU 258 N 1.53 3.25 -1.18 1.70 2.12 -0.19 -1.64 118.70 124.30 3k2g s GLU 258 Ca 0.01 -0.79 -0.10 0.00 0.36 0.00 0.00 54.97 54.45 3k2g s GLU 258 Cb -0.19 -3.89 0.23 0.00 0.26 0.00 0.00 34.13 30.53 3k2g s GLU 258 CO 0.06 -0.60 1.43 1.19 -0.54 0.00 0.00 175.26 176.79 3k2g n PHE 259 N 5.18 4.28 -2.31 5.30 3.72 0.35 -2.83 117.46 131.15 3k2g n PHE 259 Ca -0.11 -3.31 -0.42 0.00 -0.05 0.00 0.00 57.45 53.56 3k2g n PHE 259 Cb 0.48 -1.85 0.00 0.00 -0.94 0.00 0.00 39.48 37.17 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 3.73 5.96 0.00 4.37 5.68 -1.26 -2.04 116.55 133.00 3k2g n ASP 260 Ca 0.32 -3.16 0.00 0.00 -0.50 0.00 0.00 54.79 51.45 3k2g n ASP 260 Cb 0.39 -1.43 0.00 0.00 -1.14 0.00 0.00 41.12 38.94 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 2.70 0.00 -1.01 2.12 2.08 -0.77 -1.23 119.36 123.25 3k2g n ILE 262 Ca 0.44 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.75 3k2g n ILE 262 Cb 0.33 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.22 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 0.68 0.04 0.00 7.39 0.00 -1.26 -4.55 105.19 107.48 3k2g n GLY 263 Ca 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.64 0.00 -4.79 1.61 5.75 -1.26 -4.96 116.55 112.25 3k2g n ASP 265 Ca 0.00 0.00 -0.31 0.00 -0.01 0.00 0.00 54.79 54.47 3k2g n ASP 265 Cb 0.31 0.00 0.07 0.00 -1.03 0.00 0.00 41.12 40.47 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 2.84 -0.26 2.11 0.08 -1.26 -4.66 117.98 116.82 3k2g s PHE 266 Ca 0.00 1.46 -0.06 0.00 0.12 0.00 0.00 56.93 58.45 3k2g s PHE 266 Cb 0.00 -2.98 -0.00 0.00 -0.57 0.00 0.00 43.02 39.47 3k2g s PHE 266 CO 0.00 -1.55 0.03 0.12 -0.10 0.00 0.00 175.22 173.72 3k2g s PHE 267 N -2.99 3.08 -0.88 0.36 5.36 -0.33 -2.15 117.98 120.43 3k2g s PHE 267 Ca 0.60 -0.88 -0.21 0.00 -0.96 0.00 0.00 56.93 55.48 3k2g s PHE 267 Cb -0.16 -2.20 0.09 0.00 -0.34 0.00 0.00 43.02 40.42 3k2g s PHE 267 CO 0.55 -0.53 1.17 0.71 -1.46 0.00 0.00 175.22 175.67 3k2g s TYR 268 N 1.51 2.84 0.37 10.12 2.02 0.01 -3.42 117.35 130.80 3k2g s TYR 268 Ca 0.04 -1.00 0.08 0.00 -0.37 0.00 0.00 57.07 55.83 3k2g s TYR 268 Cb -0.16 -4.40 0.82 0.00 -0.40 0.00 0.00 41.96 37.82 3k2g s TYR 268 CO 0.01 -1.66 1.93 0.00 -1.57 0.00 0.00 175.55 174.26 3k2g h ALA 269 N 9.29 1.81 0.00 3.71 0.00 -1.84 0.78 119.26 133.02 3k2g h ALA 269 Ca 0.04 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3k2g h ALA 269 Cb 1.03 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.67 3k2g h ALA 269 CO 1.21 0.03 -0.07 0.38 0.00 0.00 0.00 179.25 180.80 3k2g h ASP 270 N 0.67 0.00 0.00 0.00 2.03 -1.90 -2.93 116.42 114.29 3k2g h ASP 270 Ca 0.35 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.65 3k2g h ASP 270 Cb 0.46 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.96 3k2g h ASP 270 CO -0.13 0.07 -0.67 0.00 -1.03 0.00 0.00 179.24 177.49 3k2g n GLN 271 N -3.65 3.12 -2.44 4.15 6.02 -0.32 -5.01 117.38 119.26 3k2g n GLN 271 Ca -0.02 -0.02 -0.13 0.00 -0.01 0.00 0.00 57.00 56.82 3k2g n GLN 271 Cb 0.18 -0.90 0.01 0.00 1.02 0.00 0.00 30.24 30.54 3k2g n GLN 271 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3k2g n GLY 272 N 1.59 -0.08 3.32 1.08 0.00 0.26 -5.02 105.19 106.33 3k2g n GLY 272 Ca 0.00 -0.32 -0.26 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.74 1.91 -0.10 1.61 -7.23 -1.07 -4.99 120.40 107.80 3k2g s VAL 273 Ca 0.08 -1.63 0.01 0.00 -1.81 0.00 0.00 61.98 58.63 3k2g s VAL 273 Cb -0.03 -1.72 -0.02 0.00 0.56 0.00 0.00 36.38 35.16 3k2g s VAL 273 CO 0.10 -0.01 -0.12 -1.58 -0.31 0.00 0.00 175.10 173.18 3k2g s GLN 274 N -1.98 3.02 0.19 4.82 2.00 -1.26 -0.81 119.66 125.65 3k2g s GLN 274 Ca 0.09 -0.65 -0.30 0.00 -2.00 0.00 0.00 55.36 52.50 3k2g s GLN 274 Cb -0.10 -2.57 -0.08 0.00 0.80 0.00 0.00 33.01 31.06 3k2g s GLN 274 CO 0.05 0.42 1.05 0.00 -0.50 0.00 0.00 175.29 176.31 3k2g s PRO 276 N -0.60 1.22 0.62 0.00 0.04 -1.26 -4.76 135.00 130.25 3k2g s PRO 276 Ca 0.47 0.63 -0.09 0.00 0.04 0.00 0.00 61.00 62.04 3k2g s PRO 276 Cb -0.28 -1.82 -0.02 0.00 0.04 0.00 0.00 34.50 32.42 3k2g s PRO 276 CO 0.34 -2.22 0.99 -1.54 0.04 0.00 0.00 177.00 174.61 3k2g s SER 277 N -3.62 5.90 0.36 6.66 1.04 -1.26 -4.72 113.70 118.05 3k2g s SER 277 Ca 0.63 1.14 0.14 0.00 0.48 0.00 0.00 55.95 58.34 3k2g s SER 277 Cb -0.17 -2.15 0.69 0.00 0.10 0.00 0.00 66.02 64.49 3k2g s SER 277 CO 0.56 -1.00 1.79 0.44 0.98 0.00 0.00 173.24 176.01 3k2g h ASP 278 N -0.31 0.00 -0.51 7.02 3.32 -1.97 -2.53 116.42 121.43 3k2g h ASP 278 Ca -0.45 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 56.51 3k2g h ASP 278 Cb 1.22 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.75 3k2g h ASP 278 CO 0.62 0.41 -0.04 0.44 -1.72 0.00 0.00 179.24 178.95 3k2g h ASP 279 N 0.00 0.92 -0.61 6.45 5.19 -1.99 0.76 116.42 127.15 3k2g h ASP 279 Ca -0.00 -0.33 -0.04 0.00 -0.62 0.00 0.00 57.03 56.03 3k2g h ASP 279 Cb 0.75 -0.25 -0.03 0.00 0.18 0.00 0.00 39.33 39.99 3k2g h ASP 279 CO 0.05 1.03 0.21 -0.33 -3.12 0.00 0.00 179.24 177.08 3k2g h GLU 280 N 0.80 0.93 -0.55 3.56 5.08 -1.89 -1.34 114.58 121.16 3k2g h GLU 280 Ca 0.14 -0.19 -0.09 0.00 -1.00 0.00 0.00 59.36 58.22 3k2g h GLU 280 Cb 0.58 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.67 3k2g h GLU 280 CO 0.03 0.82 0.01 0.28 -1.00 0.00 0.00 179.01 179.15 3k2g h VAL 281 N 0.86 1.26 -0.68 3.13 2.07 -1.28 -2.26 116.25 119.35 3k2g h VAL 281 Ca 0.20 -1.10 0.02 0.00 0.82 0.00 0.00 66.70 66.64 3k2g h VAL 281 Cb 0.26 0.88 -0.04 0.00 -1.52 0.00 0.00 31.29 30.88 3k2g h VAL 281 CO -0.01 0.39 0.44 0.00 0.02 0.00 0.00 177.57 178.41 3k2g h ALA 282 N 0.96 0.87 -0.72 1.67 0.00 -0.55 0.03 119.26 121.52 3k2g h ALA 282 Ca 0.16 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.05 3k2g h ALA 282 Cb 0.52 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 3k2g h ALA 282 CO 0.03 0.25 0.47 0.00 0.00 0.00 0.00 179.25 179.99 3k2g h ARG 283 N 0.88 0.91 -0.73 0.00 3.08 -1.00 -0.37 114.38 117.15 3k2g h ARG 283 Ca 0.26 -0.05 -0.05 0.00 0.07 0.00 0.00 59.98 60.20 3k2g h ARG 283 Cb -0.06 -0.20 -0.03 0.00 0.08 0.00 0.00 29.97 29.76 3k2g h ARG 283 CO -0.08 0.60 0.25 0.00 -1.07 0.00 0.00 179.97 179.67 3k2g h ALA 284 N 1.28 0.95 -0.51 0.04 0.00 -0.75 -1.29 119.26 118.99 3k2g h ALA 284 Ca 0.28 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 3k2g h ALA 284 Cb -0.05 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.43 3k2g h ALA 284 CO -0.08 0.62 0.16 0.82 0.00 0.00 0.00 179.25 180.76 3k2g h ILE 285 N 1.07 1.23 -0.56 0.00 2.04 -0.52 -1.63 117.51 119.13 3k2g h ILE 285 Ca 0.24 -0.78 0.02 0.00 1.00 0.00 0.00 64.86 65.33 3k2g h ILE 285 Cb 0.28 0.78 -0.03 0.00 -0.74 0.00 0.00 36.82 37.11 3k2g h ILE 285 CO -0.01 0.29 0.36 -0.07 0.00 0.00 0.00 178.15 178.71 3k2g h LEU 286 N 0.69 0.60 -0.83 1.44 4.07 -0.78 -0.99 115.31 119.51 3k2g h LEU 286 Ca 0.16 -0.01 0.00 0.00 0.08 0.00 0.00 57.88 58.12 3k2g h LEU 286 Cb 0.28 -0.14 -0.04 0.00 1.08 0.00 0.00 40.66 41.84 3k2g h LEU 286 CO -0.00 0.43 0.53 1.23 -1.08 0.00 0.00 178.44 179.54 3k2g h GLY 287 N 0.72 1.18 1.26 0.83 0.00 -0.90 0.21 103.07 106.36 3k2g h GLY 287 Ca 0.22 -0.46 -0.10 0.00 0.00 0.00 0.00 47.33 46.98 3k2g h GLY 287 CO -0.07 0.45 -0.10 1.41 0.00 0.00 0.00 176.54 178.22 3k2g h LEU 288 N 1.13 0.87 -0.36 3.11 3.38 -0.90 -2.18 115.31 120.35 3k2g h LEU 288 Ca 0.30 -0.27 -0.10 0.00 0.09 0.00 0.00 57.88 57.90 3k2g h LEU 288 Cb -0.10 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.41 3k2g h LEU 288 CO -0.06 0.99 -0.16 0.00 0.09 0.00 0.00 178.44 179.30 3k2g h ALA 289 N 1.09 0.51 -0.33 1.53 0.00 -0.72 0.81 119.26 122.15 3k2g h ALA 289 Ca 0.13 -0.35 0.09 0.00 0.00 0.00 0.00 54.91 54.78 3k2g h ALA 289 Cb 0.62 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 3k2g h ALA 289 CO 0.04 0.43 0.24 -0.44 0.00 0.00 0.00 179.25 179.52 3k2g h ASP 290 N 0.54 0.05 -0.53 0.00 3.32 -0.31 0.19 116.42 119.69 3k2g h ASP 290 Ca 0.08 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.12 3k2g h ASP 290 Cb 0.70 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 40.23 3k2g h ASP 290 CO 0.05 0.03 0.02 1.41 -1.72 0.00 0.00 179.24 179.03 3k2g n HIS 291 N -4.45 1.90 -1.10 4.55 8.25 -0.85 -4.93 115.22 118.59 3k2g n HIS 291 Ca 0.05 -0.68 -0.02 0.00 -0.26 0.00 0.00 57.72 56.81 3k2g n HIS 291 Cb 0.37 -0.48 -0.01 0.00 1.12 0.00 0.00 29.99 30.99 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 0.52 0.55 1.25 -1.41 0.00 0.06 -4.96 105.19 101.19 3k2g n GLY 292 Ca 0.26 -0.97 0.05 0.00 0.00 0.00 0.00 46.02 45.35 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 -2.97 1.38 -0.23 1.61 4.01 0.25 -4.68 117.16 116.53 3k2g n TYR 293 Ca -0.02 -0.97 0.11 0.00 -0.16 0.00 0.00 57.90 56.86 3k2g n TYR 293 Cb 0.09 -0.42 0.39 0.00 -0.31 0.00 0.00 39.34 39.09 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 2.24 0.61 0.00 7.72 5.85 -1.79 -1.22 115.31 128.72 3k2g h LEU 294 Ca 0.06 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.81 3k2g h LEU 294 Cb 1.69 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 42.62 3k2g h LEU 294 CO 0.36 0.33 0.00 -0.90 -0.34 0.00 0.00 178.44 177.89 3k2g n ASP 295 N -4.52 0.00 -0.28 1.25 5.68 -1.26 -2.47 116.55 114.94 3k2g n ASP 295 Ca 0.15 -1.10 0.05 0.00 -0.50 0.00 0.00 54.79 53.39 3k2g n ASP 295 Cb 0.42 0.00 0.01 0.00 -1.14 0.00 0.00 41.12 40.41 3k2g n ASP 295 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 3k2g n ARG 296 N -0.74 1.64 -3.19 0.11 5.12 -0.46 -4.90 116.66 114.23 3k2g n ARG 296 Ca 0.08 -0.74 -0.39 0.00 -1.93 0.00 0.00 57.85 54.87 3k2g n ARG 296 Cb 0.04 -1.11 -0.06 0.00 -1.16 0.00 0.00 32.46 30.17 3k2g n ARG 296 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 3k2g s ILE 297 N -1.21 5.10 0.11 0.55 1.01 -1.03 0.60 121.20 126.32 3k2g s ILE 297 Ca 0.09 1.12 0.09 0.00 0.00 0.00 0.00 60.65 61.95 3k2g s ILE 297 Cb 0.08 -3.90 -0.04 0.00 0.01 0.00 0.00 42.46 38.61 3k2g s ILE 297 CO 0.22 0.23 -0.23 -0.76 0.00 0.00 0.00 174.94 174.39 3k2g s LEU 298 N 1.19 2.31 0.02 2.97 1.43 -0.65 -4.79 118.68 121.16 3k2g s LEU 298 Ca 0.29 -0.71 0.04 0.00 -1.03 0.00 0.00 54.13 52.72 3k2g s LEU 298 Cb -0.16 -0.99 -0.02 0.00 0.03 0.00 0.00 46.19 45.05 3k2g s LEU 298 CO 0.12 0.09 -0.13 -0.76 0.23 0.00 0.00 176.35 175.90 3k2g s LEU 299 N -1.98 2.12 0.18 1.79 1.43 -1.26 -0.50 118.68 120.46 3k2g s LEU 299 Ca 0.09 -0.38 -0.22 0.00 -1.03 0.00 0.00 54.13 52.59 3k2g s LEU 299 Cb -0.10 -0.61 0.08 0.00 0.03 0.00 0.00 46.19 45.59 3k2g s LEU 299 CO 0.05 0.07 1.05 -0.55 0.23 0.00 0.00 176.35 177.20 3k2g s SER 300 N -0.85 0.01 -0.11 2.29 0.15 -0.86 -4.74 113.70 109.59 3k2g s SER 300 Ca 0.02 -0.65 0.16 0.00 0.70 0.00 0.00 55.95 56.18 3k2g s SER 300 Cb -0.07 0.48 -0.23 0.00 -1.71 0.00 0.00 66.02 64.50 3k2g s SER 300 CO 0.01 -0.96 0.19 1.41 1.20 0.00 0.00 173.24 175.08 3k2g n HIS 301 N -0.71 0.00 -3.58 3.44 -0.00 -1.19 -1.84 115.22 111.33 3k2g n HIS 301 Ca -0.02 0.00 -0.22 0.00 -0.00 0.00 0.00 57.72 57.48 3k2g n HIS 301 Cb 0.59 -0.65 0.07 0.00 -0.00 0.00 0.00 29.99 30.01 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 -2.41 -3.97 -4.68 0.41 2.03 -0.36 -4.46 116.55 103.10 3k2g n ASP 302 Ca -0.17 -0.63 -0.45 0.00 0.52 0.00 0.00 54.79 54.05 3k2g n ASP 302 Cb 0.81 -4.83 -0.04 0.00 -0.72 0.00 0.00 41.12 36.33 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 -4.56 0.46 -1.25 5.18 0.31 -1.26 -4.77 118.33 112.44 3k2g n VAL 303 Ca -0.14 -0.08 0.00 0.00 -0.01 0.00 0.00 64.34 64.11 3k2g n VAL 303 Cb 0.61 -1.95 0.00 0.00 -0.91 0.00 0.00 33.84 31.59 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 5.99 0.00 -4.03 3.52 1.16 -1.26 -1.73 117.46 121.11 3k2g n PHE 304 Ca 0.20 0.00 -0.08 0.00 -1.87 0.00 0.00 57.45 55.70 3k2g n PHE 304 Cb 0.33 0.02 -0.10 0.00 -1.61 0.00 0.00 39.48 38.11 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 0.16 -0.69 1.97 -7.23 -1.26 -4.67 120.40 108.69 3k2g s VAL 305 Ca 0.00 -1.35 -0.26 0.00 -1.81 0.00 0.00 61.98 58.56 3k2g s VAL 305 Cb 0.00 -0.89 -0.13 0.00 0.56 0.00 0.00 36.38 35.92 3k2g s VAL 305 CO 0.00 -0.74 2.46 0.29 -0.31 0.00 0.00 175.10 176.80 3k2g n LYS 306 N 0.85 0.66 0.00 4.82 5.02 -0.60 -5.00 118.16 123.91 3k2g n LYS 306 Ca -0.19 -0.16 0.00 0.00 -2.02 0.00 0.00 58.31 55.94 3k2g n LYS 306 Cb 0.58 -2.92 0.00 0.00 -0.02 0.00 0.00 35.03 32.67 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 14.63 -0.00 -0.17 -0.35 4.77 -1.26 -4.53 117.00 130.09 3k2g n LEU 309 Ca 0.47 0.00 0.13 0.00 -0.03 0.00 0.00 56.01 56.58 3k2g n LEU 309 Cb 0.39 0.01 0.46 0.00 -2.33 0.00 0.00 43.42 41.95 3k2g n LEU 309 CO 0.75 0.00 1.21 0.71 -1.33 0.00 0.00 177.39 178.73 3k2g h THR 310 N 0.00 0.85 -0.20 -5.08 1.35 -1.83 0.37 112.91 108.37 3k2g h THR 310 Ca 0.00 -0.18 0.06 0.00 -0.55 0.00 0.00 66.41 65.74 3k2g h THR 310 Cb 0.00 0.30 -0.01 0.00 -1.73 0.00 0.00 68.15 66.71 3k2g h THR 310 CO 0.00 0.09 0.17 -0.09 -0.25 0.00 0.00 175.52 175.45 3k2g h ARG 311 N 0.51 0.00 -0.43 4.72 9.65 -1.91 -1.82 114.38 125.10 3k2g h ARG 311 Ca 0.36 0.00 -0.20 0.00 -1.10 0.00 0.00 59.98 59.04 3k2g h ARG 311 Cb 0.68 0.00 -0.12 0.00 -1.39 0.00 0.00 29.97 29.14 3k2g h ARG 311 CO -0.12 0.00 0.03 0.66 2.80 0.00 0.00 179.97 183.33 3k2g n TYR 312 N -4.10 1.34 -0.69 2.20 4.01 -0.35 -4.92 117.16 114.66 3k2g n TYR 312 Ca 0.02 -1.54 0.00 0.00 -0.16 0.00 0.00 57.90 56.22 3k2g n TYR 312 Cb 0.31 -0.53 0.00 0.00 -0.31 0.00 0.00 39.34 38.81 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 -1.03 0.84 3.20 2.72 0.00 -0.68 -4.88 105.19 105.35 3k2g n GLY 313 Ca 0.35 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.15 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 -2.01 -0.73 0.17 -0.02 0.00 -0.03 -4.93 105.19 97.64 3k2g n GLY 314 Ca 0.00 -1.81 0.10 0.00 0.00 0.00 0.00 46.02 44.31 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 -1.12 0.00 -1.41 1.61 -0.26 -1.93 -3.26 115.58 109.21 3k2g h ASN 315 Ca -0.33 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.41 3k2g h ASN 315 Cb 0.99 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.25 3k2g h ASN 315 CO 0.27 0.08 0.00 0.61 -1.06 0.00 0.00 177.43 177.32 3k2g n GLY 316 N 1.16 -1.34 0.96 2.83 0.00 -1.26 -3.90 105.19 103.64 3k2g n GLY 316 Ca 0.02 -1.26 0.12 0.00 0.00 0.00 0.00 46.02 44.90 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 -0.19 0.07 0.30 1.61 4.01 -1.26 -4.30 117.16 117.39 3k2g n TYR 317 Ca 0.00 -0.03 0.07 0.00 -0.16 0.00 0.00 57.90 57.78 3k2g n TYR 317 Cb 0.00 0.00 0.10 0.00 -0.31 0.00 0.00 39.34 39.13 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 1.31 2.39 0.10 -0.72 0.00 -1.26 -4.65 120.51 117.68 3k2g n ALA 318 Ca 0.15 -0.81 -0.13 0.00 0.00 0.00 0.00 53.44 52.65 3k2g n ALA 318 Cb 0.59 -0.50 -0.08 0.00 0.00 0.00 0.00 19.45 19.46 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 2.66 -0.21 -0.37 0.00 3.57 -1.75 -0.34 116.94 120.50 3k2g h PHE 319 Ca 0.00 -0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.58 3k2g h PHE 319 Cb 0.65 0.07 -0.08 0.00 2.79 0.00 0.00 35.95 39.38 3k2g h PHE 319 CO 0.10 -0.00 -0.22 0.28 -2.23 0.00 0.00 178.31 176.24 3k2g h VAL 320 N -0.38 0.39 -0.02 1.41 2.07 -1.90 0.46 116.25 118.28 3k2g h VAL 320 Ca -0.02 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.49 3k2g h VAL 320 Cb 0.30 0.39 -0.00 0.00 -1.52 0.00 0.00 31.29 30.45 3k2g h VAL 320 CO 0.04 0.00 0.00 0.74 0.02 0.00 0.00 177.57 178.37 3k2g h THR 321 N -0.16 1.22 -0.02 2.57 2.02 -1.87 -1.19 112.91 115.49 3k2g h THR 321 Ca 0.18 -0.66 -0.19 0.00 0.77 0.00 0.00 66.41 66.51 3k2g h THR 321 Cb 0.45 1.64 -0.01 0.00 -1.74 0.00 0.00 68.15 68.49 3k2g h THR 321 CO -0.47 0.18 -0.83 0.11 0.37 0.00 0.00 175.52 174.87 3k2g h LYS 322 N -0.24 0.26 0.00 6.66 1.57 -0.78 -3.37 116.57 120.66 3k2g h LYS 322 Ca 0.01 -0.26 -0.03 0.00 -1.87 0.00 0.00 60.65 58.50 3k2g h LYS 322 Cb 0.28 0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.65 3k2g h LYS 322 CO 0.00 0.95 -1.12 0.72 -0.57 0.00 0.00 179.45 179.44 3k2g n HIS 323 N -3.72 0.00 0.12 -1.35 8.25 0.16 -4.63 115.22 114.04 3k2g n HIS 323 Ca -0.04 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.21 3k2g n HIS 323 Cb 0.77 -0.08 -0.15 0.00 1.12 0.00 0.00 29.99 31.65 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 0.73 -0.51 4.41 3.57 -0.99 -3.02 116.94 121.13 3k2g h PHE 324 Ca -0.05 -0.53 0.03 0.00 3.53 0.00 0.00 57.97 60.95 3k2g h PHE 324 Cb 1.10 -0.03 -0.04 0.00 2.79 0.00 0.00 35.95 39.77 3k2g h PHE 324 CO 0.00 1.46 0.29 -0.07 -2.23 0.00 0.00 178.31 177.77 3k2g h LEU 325 N 0.11 0.46 -1.69 0.59 3.38 -1.42 0.65 115.31 117.40 3k2g h LEU 325 Ca -0.23 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.75 3k2g h LEU 325 Cb 2.08 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 42.73 3k2g h LEU 325 CO 0.23 0.32 0.16 -0.65 0.09 0.00 0.00 178.44 178.59 3k2g h PRO 326 N 0.58 0.37 -0.42 1.13 0.11 -1.81 -0.88 132.00 131.07 3k2g h PRO 326 Ca 0.21 -0.03 -0.09 0.00 0.11 0.00 0.00 66.00 66.20 3k2g h PRO 326 Cb 0.05 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 31.07 3k2g h PRO 326 CO -0.11 0.26 -0.11 -0.09 -0.21 0.00 0.00 178.00 177.75 3k2g h ARG 327 N 0.37 0.81 -0.69 1.05 2.43 -0.97 -1.57 114.38 115.82 3k2g h ARG 327 Ca 0.10 -0.31 -0.02 0.00 -0.81 0.00 0.00 59.98 58.94 3k2g h ARG 327 Cb -0.00 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.47 3k2g h ARG 327 CO -0.02 0.94 0.36 -0.07 -1.51 0.00 0.00 179.97 179.67 3k2g h LEU 328 N 0.64 0.86 -0.26 3.80 3.38 0.08 -1.43 115.31 122.37 3k2g h LEU 328 Ca 0.11 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 3k2g h LEU 328 Cb 0.64 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 3k2g h LEU 328 CO 0.04 0.70 0.13 -0.09 0.09 0.00 0.00 178.44 179.31 3k2g h ARG 329 N 0.96 0.37 -0.27 1.13 2.43 -0.91 -1.37 114.38 116.71 3k2g h ARG 329 Ca 0.24 -0.05 0.05 0.00 -0.81 0.00 0.00 59.98 59.41 3k2g h ARG 329 Cb 0.05 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.52 3k2g h ARG 329 CO -0.04 0.36 0.19 0.00 -1.51 0.00 0.00 179.97 178.97 3k2g h ARG 330 N 0.29 0.15 0.00 0.20 3.08 -0.64 0.14 114.38 117.60 3k2g h ARG 330 Ca 0.09 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.13 3k2g h ARG 330 Cb 0.11 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.13 3k2g h ARG 330 CO -0.01 0.10 0.00 0.72 -1.07 0.00 0.00 179.97 179.71 3k2g n HIS 331 N -4.48 0.00 0.00 3.04 8.25 -0.59 -4.92 115.22 116.52 3k2g n HIS 331 Ca 0.03 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.49 3k2g n HIS 331 Cb 0.24 -0.46 0.00 0.00 1.12 0.00 0.00 29.99 30.90 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 1.39 1.33 3.77 -1.41 0.00 0.48 -5.06 105.19 105.69 3k2g n GLY 332 Ca 0.08 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.72 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 4.46 0.69 0.99 1.43 -0.82 -4.98 118.68 120.45 3k2g s LEU 333 Ca 0.00 2.03 -0.01 0.00 -1.03 0.00 0.00 54.13 55.12 3k2g s LEU 333 Cb 0.00 -3.81 0.11 0.00 0.03 0.00 0.00 46.19 42.51 3k2g s LEU 333 CO 0.00 -0.10 0.96 1.51 0.23 0.00 0.00 176.35 178.95 3k2g s ASP 334 N -1.26 4.54 0.37 2.29 1.47 -1.26 -4.24 116.67 118.57 3k2g s ASP 334 Ca 0.47 -0.24 0.06 0.00 1.18 0.00 0.00 52.55 54.02 3k2g s ASP 334 Cb -0.25 -0.25 0.75 0.00 -0.34 0.00 0.00 42.92 42.83 3k2g s ASP 334 CO 0.32 -1.72 1.98 0.44 0.68 0.00 0.00 175.17 176.87 3k2g h ASP 335 N -0.43 0.64 -0.21 2.11 3.32 -1.99 -1.74 116.42 118.12 3k2g h ASP 335 Ca -0.38 -0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.59 3k2g h ASP 335 Cb 1.28 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 40.67 3k2g h ASP 335 CO 0.44 0.42 -0.12 0.00 -1.72 0.00 0.00 179.24 178.26 3k2g h ALA 336 N 1.62 1.16 -0.33 3.45 0.00 -1.95 -1.11 119.26 122.10 3k2g h ALA 336 Ca 0.28 -0.29 -0.12 0.00 0.00 0.00 0.00 54.91 54.79 3k2g h ALA 336 Cb 0.19 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3k2g h ALA 336 CO -0.09 0.53 -0.29 0.00 0.00 0.00 0.00 179.25 179.41 3k2g h ALA 337 N 1.33 0.88 -0.27 0.00 0.00 -1.60 0.83 119.26 120.43 3k2g h ALA 337 Ca 0.10 -0.39 -0.11 0.00 0.00 0.00 0.00 54.91 54.50 3k2g h ALA 337 Cb 0.53 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 3k2g h ALA 337 CO 0.03 0.63 -0.30 -0.07 0.00 0.00 0.00 179.25 179.54 3k2g h LEU 338 N 0.59 0.56 -0.46 0.00 3.38 -1.01 -0.95 115.31 117.41 3k2g h LEU 338 Ca 0.07 -0.21 -0.11 0.00 0.09 0.00 0.00 57.88 57.72 3k2g h LEU 338 Cb 0.79 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.37 3k2g h LEU 338 CO 0.07 0.83 -0.15 -0.08 0.09 0.00 0.00 178.44 179.20 3k2g h GLU 339 N 0.47 0.92 -0.82 1.13 4.57 -0.81 -2.99 114.58 117.05 3k2g h GLU 339 Ca 0.06 -0.37 0.00 0.00 -1.18 0.00 0.00 59.36 57.87 3k2g h GLU 339 Cb 0.76 -0.04 -0.04 0.00 -0.16 0.00 0.00 28.75 29.27 3k2g h GLU 339 CO 0.06 1.03 0.51 1.15 -1.18 0.00 0.00 179.01 180.58 3k2g h THR 340 N 0.76 1.22 0.00 0.32 2.02 -0.39 -1.30 112.91 115.53 3k2g h THR 340 Ca 0.11 -0.45 0.00 0.00 0.77 0.00 0.00 66.41 66.84 3k2g h THR 340 Cb 0.71 0.05 0.00 0.00 -1.74 0.00 0.00 68.15 67.17 3k2g h THR 340 CO 0.05 0.22 0.00 0.18 0.37 0.00 0.00 175.52 176.35 3k2g n LEU 341 N -4.48 0.06 0.00 2.58 4.77 -0.40 0.14 117.00 119.68 3k2g n LEU 341 Ca 0.08 -0.03 0.00 0.00 -0.03 0.00 0.00 56.01 56.03 3k2g n LEU 341 Cb 0.04 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 3k2g n LEU 341 CO 0.37 0.02 0.00 0.52 -1.33 0.00 0.00 177.39 176.96 3k2g n VAL 343 N -0.40 0.00 -0.02 4.08 0.31 -0.52 -4.47 118.33 117.31 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 1.11 -0.55 2.52 2.02 -1.44 -2.34 112.91 114.22 3k2g h THR 344 Ca 0.00 -0.30 -0.03 0.00 0.77 0.00 0.00 66.41 66.85 3k2g h THR 344 Cb 0.00 1.06 -0.02 0.00 -1.74 0.00 0.00 68.15 67.45 3k2g h THR 344 CO 0.00 0.10 0.23 0.78 0.37 0.00 0.00 175.52 177.00 3k2g h ASN 345 N 0.10 0.75 -0.67 4.18 2.35 -0.53 0.53 115.58 122.29 3k2g h ASN 345 Ca 0.05 -0.16 0.00 0.00 -0.55 0.00 0.00 56.30 55.64 3k2g h ASN 345 Cb 0.09 -0.20 -0.03 0.00 0.05 0.00 0.00 38.32 38.23 3k2g h ASN 345 CO -0.01 0.71 0.44 -0.65 -1.65 0.00 0.00 177.43 176.27 3k2g h PRO 346 N 0.75 0.90 -0.52 0.81 0.11 -1.77 -0.82 132.00 131.47 3k2g h PRO 346 Ca 0.19 -0.06 -0.09 0.00 0.11 0.00 0.00 66.00 66.15 3k2g h PRO 346 Cb 0.18 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 31.07 3k2g h PRO 346 CO -0.02 0.60 -0.04 -0.09 -0.21 0.00 0.00 178.00 178.24 3k2g h ARG 347 N 0.92 0.91 -0.16 1.05 2.43 -0.80 -2.45 114.38 116.27 3k2g h ARG 347 Ca 0.25 -0.29 -0.02 0.00 -0.81 0.00 0.00 59.98 59.11 3k2g h ARG 347 Cb -0.09 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.36 3k2g h ARG 347 CO -0.05 0.93 -0.01 0.00 -1.51 0.00 0.00 179.97 179.33 3k2g h ARG 348 N 0.83 0.23 -0.52 0.20 3.08 0.43 0.14 114.38 118.78 3k2g h ARG 348 Ca 0.15 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.17 3k2g h ARG 348 Cb 0.55 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.53 3k2g h ARG 348 CO 0.03 0.26 0.33 0.28 -1.07 0.00 0.00 179.97 179.81 3k2g h VAL 349 N 0.23 1.14 0.00 2.04 2.07 -0.76 -3.15 116.25 117.83 3k2g h VAL 349 Ca 0.06 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 67.28 3k2g h VAL 349 Cb 0.17 0.40 0.00 0.00 -1.52 0.00 0.00 31.29 30.34 3k2g h VAL 349 CO 0.00 0.14 -0.70 0.49 0.02 0.00 0.00 177.57 177.53 3k2g n PHE 350 N -4.70 0.01 -3.73 1.57 3.72 -0.94 -4.74 117.46 108.64 3k2g n PHE 350 Ca 0.03 0.00 -0.28 0.00 -0.05 0.00 0.00 57.45 57.15 3k2g n PHE 350 Cb 0.03 -0.16 -0.16 0.00 -0.94 0.00 0.00 39.48 38.25 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 -3.03 2.89 0.45 4.37 -1.08 0.45 -4.22 116.67 116.50 3k2g s ASP 351 Ca 0.10 -0.82 0.30 0.00 -0.52 0.00 0.00 52.55 51.61 3k2g s ASP 351 Cb 0.17 -0.58 1.20 0.00 -1.46 0.00 0.00 42.92 42.25 3k2g s ASP 351 CO 0.77 -0.31 1.88 0.00 0.52 0.00 0.00 175.17 178.03 3k2g h ALA 352 N 8.25 1.00 0.00 3.66 0.00 -0.81 -3.06 119.26 128.30 3k2g h ALA 352 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3k2g h ALA 352 Cb 1.12 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.91 3k2g h ALA 352 CO 0.33 0.00 0.00 -1.13 0.00 0.00 0.00 179.25 178.45 3k2g n SER 353 N -2.80 0.74 -4.65 0.00 3.41 -1.26 -4.71 113.62 104.34 3k2g n SER 353 Ca 0.01 0.63 -0.43 0.00 -0.26 0.00 0.00 58.87 58.83 3k2g n SER 353 Cb 0.29 -0.81 -0.02 0.00 -0.26 0.00 0.00 64.21 63.41 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 -3.23 4.16 0.77 -1.33 -1.09 -1.16 -5.00 121.20 114.33 3k2g s ILE 354 Ca 0.07 1.39 -0.11 0.00 -2.23 0.00 0.00 60.65 59.77 3k2g s ILE 354 Cb 0.11 -3.95 0.05 0.00 -1.58 0.00 0.00 42.46 37.09 3k2g s ILE 354 CO 0.48 -0.18 1.09 -1.83 -1.23 0.00 0.00 174.94 173.27 3k2g s GLU 355 N 3.70 2.28 0.00 2.79 -1.05 -1.26 -4.99 118.70 120.16 3k2g s GLU 355 Ca 0.58 1.18 0.00 0.00 -0.15 0.00 0.00 54.97 56.57 3k2g s GLU 355 Cb -0.22 -1.90 0.00 0.00 -0.44 0.00 0.00 34.13 31.57 3k2g s GLU 355 CO 0.18 -1.63 0.00 0.41 0.95 0.00 0.00 175.26 175.17 3k2g n GLY 356 N -1.18 -0.82 0.00 -3.83 0.00 -1.26 -5.06 105.19 93.04 3k2g n GLY 356 Ca 0.09 -1.64 0.00 0.00 0.00 0.00 0.00 46.02 44.47 3k2g n GLY 356 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3k2g n HIS 357 N -0.51 0.00 1.04 1.61 8.25 -1.26 -5.10 115.22 119.24 3k2g n HIS 357 Ca 0.00 0.00 0.08 0.00 -0.26 0.00 0.00 57.72 57.54 3k2g n HIS 357 Cb 0.00 0.00 0.49 0.00 1.12 0.00 0.00 29.99 31.60 3k2g n HIS 357 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70