#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k2g n LEU -1 N 0.00 0.19 0.24 1.04 7.94 -1.26 -4.82 117.00 120.34 3k2g n LEU -1 Ca 0.00 0.12 0.15 0.00 -1.11 0.00 0.00 56.01 55.17 3k2g n LEU -1 Cb 0.00 0.01 0.82 0.00 0.53 0.00 0.00 43.42 44.78 3k2g n LEU -1 CO 0.00 -0.43 0.99 0.77 -1.11 0.00 0.00 177.39 177.60 3k2g h SER 2 N 0.00 0.00 -0.12 1.96 4.64 -2.04 -1.81 113.55 116.19 3k2g h SER 2 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3k2g h SER 2 Cb 0.34 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.43 3k2g h SER 2 CO 0.00 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.34 3k2g n GLU 3 N -2.60 2.17 -2.27 4.77 1.02 -1.26 -4.94 120.64 117.52 3k2g n GLU 3 Ca -0.02 -1.71 -0.41 0.00 -0.02 0.00 0.00 57.16 55.00 3k2g n GLU 3 Cb 0.11 -1.47 -0.03 0.00 -0.02 0.00 0.00 31.44 30.03 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 -1.85 4.46 0.58 -4.62 1.43 -0.68 -3.88 118.68 114.11 3k2g s LEU 4 Ca 0.33 2.45 -0.19 0.00 -1.03 0.00 0.00 54.13 55.68 3k2g s LEU 4 Cb 0.21 -3.63 -0.04 0.00 0.03 0.00 0.00 46.19 42.76 3k2g s LEU 4 CO 0.31 -0.41 1.22 -0.55 0.23 0.00 0.00 176.35 177.15 3k2g s SER 5 N -0.30 5.28 0.53 2.29 0.15 0.12 -4.84 113.70 116.91 3k2g s SER 5 Ca 0.50 2.43 0.35 0.00 0.70 0.00 0.00 55.95 59.94 3k2g s SER 5 Cb -0.36 -2.60 1.86 0.00 -1.71 0.00 0.00 66.02 63.21 3k2g s SER 5 CO 0.44 -1.54 2.08 -0.65 1.20 0.00 0.00 173.24 174.77 3k2g h PRO 6 N 1.06 0.00 -0.69 5.44 0.11 -1.90 -2.12 132.00 133.90 3k2g h PRO 6 Ca -0.50 0.00 -0.47 0.00 0.11 0.00 0.00 66.00 65.13 3k2g h PRO 6 Cb 1.29 0.00 -0.31 0.00 0.11 0.00 0.00 31.00 32.10 3k2g h PRO 6 CO 0.56 0.00 -0.25 0.00 -0.21 0.00 0.00 178.00 178.10 3k2g s HIS 8 N -3.56 1.51 -0.99 0.00 -3.43 -0.80 -4.60 115.29 103.43 3k2g s HIS 8 Ca 0.52 1.20 0.04 0.00 -0.80 0.00 0.00 55.06 56.02 3k2g s HIS 8 Cb 0.43 -3.14 0.17 0.00 -1.43 0.00 0.00 32.58 28.61 3k2g s HIS 8 CO 0.01 -3.60 1.13 1.33 -2.00 0.00 0.00 174.74 171.60 3k2g n VAL 9 N -4.73 1.74 -0.79 -5.38 0.24 0.44 -1.43 118.33 108.42 3k2g n VAL 9 Ca 0.04 0.44 0.08 0.00 -2.04 0.00 0.00 64.34 62.86 3k2g n VAL 9 Cb 0.55 -1.38 0.17 0.00 -1.47 0.00 0.00 33.84 31.71 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 -1.51 2.35 -0.02 7.34 1.74 -1.26 0.50 116.66 125.79 3k2g n ARG 10 Ca 0.01 -2.47 -0.03 0.00 -0.77 0.00 0.00 57.85 54.59 3k2g n ARG 10 Cb 0.04 -1.54 -0.12 0.00 -1.02 0.00 0.00 32.46 29.82 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 -0.70 0.53 0.00 0.55 3.41 -0.52 -4.97 113.62 111.92 3k2g n SER 11 Ca 0.15 0.24 0.00 0.00 -0.26 0.00 0.00 58.87 59.00 3k2g n SER 11 Cb 0.66 0.56 0.00 0.00 -0.26 0.00 0.00 64.21 65.17 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 1.50 0.72 3.48 5.00 0.00 -1.26 -5.01 105.19 109.62 3k2g n GLY 12 Ca -0.17 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.22 1.67 0.00 1.61 0.52 -1.26 -1.01 118.95 120.26 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 -1.47 0.00 0.00 0.52 0.00 0.00 34.95 34.00 3k2g s ARG 13 CO 0.00 0.12 0.00 -0.89 0.02 0.00 0.00 175.30 174.55 3k2g n ILE 14 N -0.67 0.00 -3.60 1.52 5.41 0.53 -4.58 119.36 117.97 3k2g n ILE 14 Ca -0.05 0.00 0.03 0.00 1.00 0.00 0.00 62.75 63.73 3k2g n ILE 14 Cb 0.63 0.00 -0.00 0.00 -0.71 0.00 0.00 39.64 39.56 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 2.41 0.00 -0.24 1.39 -4.23 -0.37 -1.13 115.64 113.47 3k2g s THR 16 Ca 0.00 -0.11 0.25 0.00 -1.18 0.00 0.00 61.69 60.65 3k2g s THR 16 Cb 0.00 -2.05 0.25 0.00 1.34 0.00 0.00 72.50 72.05 3k2g s THR 16 CO 0.00 0.00 1.75 -0.37 -0.54 0.00 0.00 174.62 175.46 3k2g h VAL 17 N 2.00 0.00 -0.41 2.29 -1.51 -1.22 -0.98 116.25 116.41 3k2g h VAL 17 Ca -0.32 -0.12 0.00 0.00 -1.23 0.00 0.00 66.70 65.03 3k2g h VAL 17 Cb 1.20 0.77 0.00 0.00 -2.13 0.00 0.00 31.29 31.13 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 -2.35 4.05 0.00 4.19 8.00 -1.26 -4.74 116.55 124.44 3k2g n ASP 18 Ca 0.00 -2.61 0.00 0.00 0.71 0.00 0.00 54.79 52.89 3k2g n ASP 18 Cb 0.13 -0.49 0.00 0.00 -0.02 0.00 0.00 41.12 40.74 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 0.27 0.95 3.78 0.44 0.00 -0.37 -5.04 105.19 105.21 3k2g n GLY 19 Ca 0.21 -2.21 -0.35 0.00 0.00 0.00 0.00 46.02 43.66 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 -1.19 3.67 0.04 1.61 0.02 -1.26 -1.23 135.00 136.66 3k2g s PRO 20 Ca 0.00 1.56 -0.03 0.00 0.02 0.00 0.00 61.00 62.56 3k2g s PRO 20 Cb 0.00 -2.18 -0.02 0.00 0.02 0.00 0.00 34.50 32.32 3k2g s PRO 20 CO 0.00 -0.58 0.02 0.96 -0.33 0.00 0.00 177.00 177.07 3k2g s ILE 21 N -1.77 0.16 0.51 2.83 -4.36 -0.28 -4.91 121.20 113.38 3k2g s ILE 21 Ca 0.67 -1.31 -0.21 0.00 -0.26 0.00 0.00 60.65 59.54 3k2g s ILE 21 Cb -0.22 -0.98 -0.06 0.00 1.25 0.00 0.00 42.46 42.44 3k2g s ILE 21 CO 0.27 -0.72 1.16 -2.16 0.24 0.00 0.00 174.94 173.72 3k2g s PRO 22 N -2.85 3.47 0.54 0.37 0.04 -1.26 -0.35 135.00 134.97 3k2g s PRO 22 Ca -0.03 1.73 0.22 0.00 0.04 0.00 0.00 61.00 62.96 3k2g s PRO 22 Cb 0.00 -2.18 1.42 0.00 0.04 0.00 0.00 34.50 33.79 3k2g s PRO 22 CO -0.06 -0.78 2.11 0.66 0.04 0.00 0.00 177.00 178.97 3k2g h SER 23 N 1.54 0.00 0.69 6.66 4.64 -1.36 -0.53 113.55 125.18 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 1.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 3k2g h SER 23 CO 0.58 0.00 0.00 0.77 -0.87 0.00 0.00 176.83 177.31 3k2g h SER 24 N 0.00 0.00 0.71 4.97 4.64 -1.90 -2.76 113.55 119.22 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 0.37 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 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 3.08 -0.19 5.18 0.00 -0.21 -4.04 120.51 122.40 3k2g n ALA 25 Ca 0.01 -0.25 -0.06 0.00 0.00 0.00 0.00 53.44 53.13 3k2g n ALA 25 Cb 0.22 -1.24 0.03 0.00 0.00 0.00 0.00 19.45 18.46 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 0.00 0.63 0.00 0.00 5.85 -1.60 -3.48 115.31 116.72 3k2g h LEU 26 Ca 0.00 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.71 3k2g h LEU 26 Cb 0.52 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.40 3k2g h LEU 26 CO 0.00 0.46 0.00 0.61 -0.34 0.00 0.00 178.44 179.17 3k2g n GLY 27 N -1.25 0.98 3.63 3.75 0.00 -1.26 -3.77 105.19 107.26 3k2g n GLY 27 Ca 0.04 -0.71 -0.43 0.00 0.00 0.00 0.00 46.02 44.92 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 2.23 -4.23 1.61 -0.00 -1.26 -4.50 115.22 109.07 3k2g n HIS 28 Ca 0.00 -0.22 -0.19 0.00 -0.00 0.00 0.00 57.72 57.32 3k2g n HIS 28 Cb 0.00 -2.75 -0.11 0.00 -0.00 0.00 0.00 29.99 27.13 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 6.20 1.31 0.55 3.57 2.01 -1.26 -0.71 115.64 127.30 3k2g s THR 29 Ca 0.95 -1.59 0.04 0.00 0.31 0.00 0.00 61.69 61.40 3k2g s THR 29 Cb -0.43 -1.41 0.03 0.00 0.01 0.00 0.00 72.50 70.70 3k2g s THR 29 CO 0.40 -0.33 0.31 -0.76 -0.69 0.00 0.00 174.62 173.55 3k2g s LEU 30 N -2.22 2.55 -0.82 4.42 1.43 -0.75 -4.87 118.68 118.43 3k2g s LEU 30 Ca 0.06 -1.37 -0.22 0.00 -1.03 0.00 0.00 54.13 51.56 3k2g s LEU 30 Cb -0.07 -1.04 -0.20 0.00 0.03 0.00 0.00 46.19 44.92 3k2g s LEU 30 CO 0.03 -1.08 2.14 1.57 0.23 0.00 0.00 176.35 179.24 3k2g n HIS 32 N -1.67 0.38 -3.82 0.29 -0.00 -1.23 -0.42 115.22 108.74 3k2g n HIS 32 Ca -0.06 0.26 -0.12 0.00 -0.00 0.00 0.00 57.72 57.79 3k2g n HIS 32 Cb 0.65 -1.69 -0.10 0.00 -0.00 0.00 0.00 29.99 28.85 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 7.11 0.48 -0.19 1.57 0.41 -0.75 -2.08 118.70 125.24 3k2g s GLU 33 Ca 1.11 -0.17 -0.05 0.00 -0.41 0.00 0.00 54.97 55.45 3k2g s GLU 33 Cb -0.98 0.21 -0.03 0.00 -1.78 0.00 0.00 34.13 31.56 3k2g s GLU 33 CO 0.41 -0.11 -0.00 -1.01 -0.49 0.00 0.00 175.26 174.06 3k2g s HIS 34 N -1.01 3.05 -0.15 1.61 3.76 -0.77 -3.90 115.29 117.88 3k2g s HIS 34 Ca -0.11 -0.39 0.11 0.00 -0.15 0.00 0.00 55.06 54.52 3k2g s HIS 34 Cb -0.06 -2.07 -0.23 0.00 1.11 0.00 0.00 32.58 31.34 3k2g s HIS 34 CO 0.02 -0.18 0.25 1.28 -0.85 0.00 0.00 174.74 175.26 3k2g n LEU 35 N 4.09 1.08 -3.79 0.89 4.77 -1.26 -4.66 117.00 118.11 3k2g n LEU 35 Ca -0.17 0.14 -0.13 0.00 -0.03 0.00 0.00 56.01 55.82 3k2g n LEU 35 Cb 0.52 -0.03 -0.11 0.00 -2.33 0.00 0.00 43.42 41.47 3k2g n LEU 35 CO 0.32 0.58 -0.07 -1.10 -1.33 0.00 0.00 177.39 175.79 3k2g s GLN 36 N -2.54 0.41 0.13 3.23 -1.52 -1.26 -4.83 119.66 113.28 3k2g s GLN 36 Ca -0.14 0.14 -0.22 0.00 -1.95 0.00 0.00 55.36 53.20 3k2g s GLN 36 Cb 0.07 0.19 0.08 0.00 -0.22 0.00 0.00 33.01 33.12 3k2g s GLN 36 CO 0.79 -0.08 1.03 0.27 -0.25 0.00 0.00 175.29 177.04 3k2g n ASN 37 N 2.38 -1.54 -3.52 5.90 0.23 -0.60 -4.78 115.26 113.32 3k2g n ASN 37 Ca -0.16 -1.73 -0.20 0.00 -0.53 0.00 0.00 54.58 51.96 3k2g n ASN 37 Cb 0.57 2.49 -0.14 0.00 -2.08 0.00 0.00 39.78 40.62 3k2g n ASN 37 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 3k2g s ASP 38 N -3.39 1.55 -0.25 0.53 -1.08 -0.08 -2.57 116.67 111.38 3k2g s ASP 38 Ca 0.23 -0.29 0.12 0.00 -0.52 0.00 0.00 52.55 52.09 3k2g s ASP 38 Cb -0.02 0.25 0.50 0.00 -1.46 0.00 0.00 42.92 42.19 3k2g s ASP 38 CO 0.04 -0.33 1.43 0.00 0.52 0.00 0.00 175.17 176.83 3k2g h ARG 40 N 1.14 0.65 0.00 0.00 3.08 -1.95 -0.92 114.38 116.37 3k2g h ARG 40 Ca 0.15 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.16 3k2g h ARG 40 Cb 1.55 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 31.45 3k2g h ARG 40 CO 0.31 0.43 0.00 0.00 -1.07 0.00 0.00 179.97 179.64 3k2g n TRP 42 N -1.44 0.59 -1.80 0.00 7.02 -0.35 -5.01 117.44 116.45 3k2g n TRP 42 Ca 0.01 -0.63 -0.42 0.00 -1.02 0.00 0.00 57.50 55.44 3k2g n TRP 42 Cb 0.03 -0.12 -0.03 0.00 -2.42 0.00 0.00 31.31 28.77 3k2g n TRP 42 CO 0.00 0.00 0.00 -0.46 -2.02 0.00 0.00 177.69 175.21 3k2g s TRP 43 N -1.61 2.91 -0.72 -5.99 -0.00 -0.53 -4.83 118.94 108.17 3k2g s TRP 43 Ca 0.28 0.54 -0.08 0.00 -0.00 0.00 0.00 56.10 56.84 3k2g s TRP 43 Cb 0.19 -4.06 0.19 0.00 -0.00 0.00 0.00 33.47 29.79 3k2g s TRP 43 CO 0.13 -3.88 0.60 1.21 -0.00 0.00 0.00 176.95 175.01 3k2g s ASN 44 N 0.98 5.95 0.16 5.86 2.47 0.16 -4.99 114.94 125.53 3k2g s ASN 44 Ca 0.70 -2.78 -0.33 0.00 0.42 0.00 0.00 52.86 50.87 3k2g s ASN 44 Cb -0.48 -2.02 -0.16 0.00 -1.45 0.00 0.00 41.25 37.14 3k2g s ASN 44 CO 0.36 -0.46 1.19 -2.65 -3.72 0.00 0.00 177.10 171.81 3k2g n PRO 45 N 3.71 1.15 -2.22 0.43 -0.02 -1.26 -4.04 135.00 132.75 3k2g n PRO 45 Ca 0.11 0.41 -0.43 0.00 -2.02 0.00 0.00 63.50 61.57 3k2g n PRO 45 Cb 0.42 -1.93 -0.02 0.00 -0.02 0.00 0.00 33.50 31.95 3k2g n PRO 45 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3k2g s PRO 46 N -0.25 4.07 0.03 0.52 0.04 -1.26 -4.92 135.00 133.23 3k2g s PRO 46 Ca 0.75 1.76 -0.28 0.00 0.04 0.00 0.00 61.00 63.27 3k2g s PRO 46 Cb -0.87 -3.91 -0.17 0.00 0.04 0.00 0.00 34.50 29.59 3k2g s PRO 46 CO 0.51 -0.95 1.32 1.96 0.04 0.00 0.00 177.00 179.89 3k2g h GLN 47 N 9.37 -0.75 -6.58 4.56 1.08 -1.94 -3.43 115.11 117.42 3k2g h GLN 47 Ca -0.32 0.05 -0.53 0.00 -1.45 0.00 0.00 58.65 56.41 3k2g h GLN 47 Cb 1.14 0.17 0.01 0.00 -0.05 0.00 0.00 27.48 28.75 3k2g h GLN 47 CO 0.98 -0.44 0.59 -1.21 -0.95 0.00 0.00 178.83 177.80 3k2g s GLU 48 N -5.13 4.44 0.00 1.46 8.01 -1.26 -4.89 118.70 121.33 3k2g s GLU 48 Ca -0.15 1.87 0.09 0.00 0.01 0.00 0.00 54.97 56.79 3k2g s GLU 48 Cb 0.02 -3.28 0.48 0.00 -4.31 0.00 0.00 34.13 27.05 3k2g s GLU 48 CO 0.53 -0.21 1.11 -2.30 0.01 0.00 0.00 175.26 174.40 3k2g n PRO 49 N 3.24 0.18 0.14 0.39 -0.02 -1.26 -1.19 135.00 136.48 3k2g n PRO 49 Ca 0.07 0.14 0.12 0.00 -2.02 0.00 0.00 63.50 61.81 3k2g n PRO 49 Cb 0.45 -1.50 0.09 0.00 -0.02 0.00 0.00 33.50 32.52 3k2g n PRO 49 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3k2g h GLU 50 N 0.00 0.00 -0.46 -0.52 5.08 -1.95 -3.28 114.58 113.45 3k2g h GLU 50 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3k2g h GLU 50 Cb 0.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.31 3k2g h GLU 50 CO 0.00 0.00 0.00 0.54 -1.00 0.00 0.00 179.01 178.55 3k2g n ARG 51 N -2.76 2.67 -0.08 2.33 1.74 -0.33 -4.58 116.66 115.65 3k2g n ARG 51 Ca 0.02 -2.23 0.08 0.00 -0.77 0.00 0.00 57.85 54.96 3k2g n ARG 51 Cb 0.53 -1.39 0.45 0.00 -1.02 0.00 0.00 32.46 31.03 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 2.98 0.50 -0.31 5.56 1.08 -1.61 -1.53 115.11 121.78 3k2g h GLN 52 Ca 0.00 -0.03 -0.05 0.00 -1.45 0.00 0.00 58.65 57.12 3k2g h GLN 52 Cb 0.82 -0.11 -0.02 0.00 -0.05 0.00 0.00 27.48 28.12 3k2g h GLN 52 CO 0.00 0.33 -0.00 0.10 -0.95 0.00 0.00 178.83 178.31 3k2g h TYR 53 N 0.52 0.49 0.00 2.96 -0.00 -1.85 -2.02 116.97 117.07 3k2g h TYR 53 Ca 0.25 -0.04 0.00 0.00 0.00 0.00 0.00 58.73 58.93 3k2g h TYR 53 Cb 0.31 -0.14 0.00 0.00 0.00 0.00 0.00 36.73 36.89 3k2g h TYR 53 CO -0.00 0.49 0.00 1.28 -0.00 0.00 0.00 178.16 179.93 3k2g n LEU 54 N -4.29 0.19 -0.11 0.10 4.77 -0.58 -1.79 117.00 115.29 3k2g n LEU 54 Ca 0.01 0.57 -0.24 0.00 -0.03 0.00 0.00 56.01 56.32 3k2g n LEU 54 Cb 0.24 -0.57 -0.11 0.00 -2.33 0.00 0.00 43.42 40.65 3k2g n LEU 54 CO 0.38 -0.51 -0.82 0.00 -1.33 0.00 0.00 177.39 175.11 3k2g n ALA 55 N -1.59 0.92 0.75 -1.18 0.00 -0.76 -3.54 120.51 115.11 3k2g n ALA 55 Ca 0.01 -0.68 0.12 0.00 0.00 0.00 0.00 53.44 52.88 3k2g n ALA 55 Cb 0.09 -0.35 0.12 0.00 0.00 0.00 0.00 19.45 19.31 3k2g n ALA 55 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3k2g n GLU 56 N -4.33 0.17 -2.72 0.00 4.71 -1.20 -2.07 120.64 115.20 3k2g n GLU 56 Ca -0.39 0.02 -0.35 0.00 -0.01 0.00 0.00 57.16 56.43 3k2g n GLU 56 Cb 0.76 -1.57 -0.06 0.00 -1.01 0.00 0.00 31.44 29.56 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 -3.11 3.06 0.73 0.62 0.00 -0.74 -4.93 121.76 117.39 3k2g s ALA 57 Ca 0.07 0.51 -0.11 0.00 0.00 0.00 0.00 51.96 52.43 3k2g s ALA 57 Cb 0.15 -3.19 0.03 0.00 0.00 0.00 0.00 23.12 20.11 3k2g s ALA 57 CO 0.75 0.01 1.08 -1.25 0.00 0.00 0.00 175.76 176.36 3k2g s PRO 58 N -2.83 2.62 0.18 0.00 0.04 -1.26 -4.58 135.00 129.17 3k2g s PRO 58 Ca 0.60 0.69 -0.30 0.00 0.04 0.00 0.00 61.00 62.02 3k2g s PRO 58 Cb -0.14 -1.97 -0.09 0.00 0.04 0.00 0.00 34.50 32.33 3k2g s PRO 58 CO 0.19 -1.26 1.37 0.42 0.04 0.00 0.00 177.00 177.76 3k2g s ILE 59 N -3.18 3.10 0.04 0.56 1.01 -1.26 -5.00 121.20 116.47 3k2g s ILE 59 Ca 0.59 0.86 -0.09 0.00 0.00 0.00 0.00 60.65 62.01 3k2g s ILE 59 Cb -0.13 -3.55 0.00 0.00 0.01 0.00 0.00 42.46 38.79 3k2g s ILE 59 CO 0.54 0.11 0.18 -0.94 0.00 0.00 0.00 174.94 174.83 3k2g s SER 60 N 0.63 0.06 0.55 3.58 1.04 -1.26 -5.05 113.70 113.24 3k2g s SER 60 Ca 0.60 -0.41 0.28 0.00 0.48 0.00 0.00 55.95 56.90 3k2g s SER 60 Cb -0.38 0.29 1.45 0.00 0.10 0.00 0.00 66.02 67.47 3k2g s SER 60 CO 0.36 -0.57 1.96 -0.29 0.98 0.00 0.00 173.24 175.68 3k2g h ILE 61 N 3.42 0.61 0.00 -1.02 2.10 -1.94 -2.38 117.51 118.30 3k2g h ILE 61 Ca -0.32 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.62 3k2g h ILE 61 Cb 1.19 0.67 0.00 0.00 -1.09 0.00 0.00 36.82 37.59 3k2g h ILE 61 CO 0.49 0.00 0.00 -0.33 -1.08 0.00 0.00 178.15 177.23 3k2g h GLU 62 N 0.00 0.00 -0.07 2.19 3.07 -1.99 -3.19 114.58 114.59 3k2g h GLU 62 Ca 0.28 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.14 3k2g h GLU 62 Cb 1.20 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.11 3k2g h GLU 62 CO -0.00 0.00 0.00 0.44 -1.40 0.00 0.00 179.01 178.05 3k2g n ILE 63 N -2.74 1.49 -0.05 3.13 -5.35 -0.90 -4.74 119.36 110.21 3k2g n ILE 63 Ca 0.01 -1.59 -0.00 0.00 -0.27 0.00 0.00 62.75 60.91 3k2g n ILE 63 Cb 0.29 0.13 0.28 0.00 -1.74 0.00 0.00 39.64 38.60 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 0.47 0.58 0.06 7.28 3.38 -1.59 -2.24 115.31 123.25 3k2g h LEU 64 Ca 0.00 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 57.88 3k2g h LEU 64 Cb 0.83 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.43 3k2g h LEU 64 CO 0.03 0.59 -0.03 -1.28 0.09 0.00 0.00 178.44 177.83 3k2g h SER 65 N 0.62 -0.07 -0.47 -0.43 0.87 -1.85 -1.63 113.55 110.59 3k2g h SER 65 Ca 0.14 -0.05 0.01 0.00 -1.23 0.00 0.00 61.79 60.66 3k2g h SER 65 Cb 0.24 0.02 -0.03 0.00 -0.44 0.00 0.00 62.40 62.19 3k2g h SER 65 CO -0.00 0.00 0.31 -0.33 -0.53 0.00 0.00 176.83 176.28 3k2g h GLU 66 N -0.14 0.60 -0.58 2.24 4.39 -1.88 -2.48 114.58 116.73 3k2g h GLU 66 Ca -0.01 -0.04 0.03 0.00 0.34 0.00 0.00 59.36 59.68 3k2g h GLU 66 Cb 0.12 -0.14 -0.03 0.00 -0.10 0.00 0.00 28.75 28.60 3k2g h GLU 66 CO 0.01 0.40 0.38 -0.07 -1.16 0.00 0.00 179.01 178.58 3k2g h LEU 67 N 0.62 0.59 -1.80 1.33 4.07 -1.24 -0.77 115.31 118.12 3k2g h LEU 67 Ca 0.18 -0.01 0.00 0.00 0.08 0.00 0.00 57.88 58.13 3k2g h LEU 67 Cb -0.05 -0.14 0.00 0.00 1.08 0.00 0.00 40.66 41.55 3k2g h LEU 67 CO -0.05 0.41 0.00 0.03 -1.08 0.00 0.00 178.44 177.75 3k2g h ARG 68 N 0.68 0.00 -0.02 1.13 3.08 -0.82 0.16 114.38 118.59 3k2g h ARG 68 Ca 0.23 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.28 3k2g h ARG 68 Cb 0.07 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.12 3k2g h ARG 68 CO -0.06 0.00 -0.03 1.04 -1.07 0.00 0.00 179.97 179.85 3k2g n GLN 69 N -2.92 2.00 -2.67 0.04 1.13 -0.31 -1.92 117.38 112.73 3k2g n GLN 69 Ca -0.00 -1.50 -0.05 0.00 -1.94 0.00 0.00 57.00 53.51 3k2g n GLN 69 Cb 0.21 -1.47 0.08 0.00 0.11 0.00 0.00 30.24 29.17 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 -1.38 -0.32 1.08 2.03 -0.66 -4.00 116.55 114.09 3k2g n ASP 70 Ca 0.16 -1.91 0.15 0.00 0.52 0.00 0.00 54.79 53.71 3k2g n ASP 70 Cb 0.50 0.88 0.35 0.00 -0.72 0.00 0.00 41.12 42.12 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 3.00 0.47 0.00 -0.67 0.11 -0.96 -1.70 132.00 132.25 3k2g h PRO 71 Ca -0.24 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.84 3k2g h PRO 71 Cb 1.20 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.20 3k2g h PRO 71 CO -0.12 0.31 0.00 1.19 -0.21 0.00 0.00 178.00 179.17 3k2g n PHE 72 N -4.97 0.00 0.18 0.65 3.72 -1.26 -3.21 117.46 112.57 3k2g n PHE 72 Ca 0.24 0.00 0.06 0.00 -0.05 0.00 0.00 57.45 57.71 3k2g n PHE 72 Cb 0.70 -0.03 0.20 0.00 -0.94 0.00 0.00 39.48 39.41 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 0.66 -3.73 -4.37 3.04 -1.44 0.47 116.25 110.87 3k2g h VAL 73 Ca 0.00 -1.68 -0.64 0.00 -1.01 0.00 0.00 66.70 63.38 3k2g h VAL 73 Cb 0.03 2.13 -0.15 0.00 -2.01 0.00 0.00 31.29 31.28 3k2g h VAL 73 CO 0.00 0.34 -0.28 0.21 -1.01 0.00 0.00 177.57 176.83 3k2g s ASN 74 N -6.34 6.21 0.20 3.17 3.84 -1.20 -3.93 114.94 116.89 3k2g s ASN 74 Ca 0.03 0.14 -0.09 0.00 0.21 0.00 0.00 52.86 53.14 3k2g s ASN 74 Cb 0.08 -2.20 0.12 0.00 -0.55 0.00 0.00 41.25 38.71 3k2g s ASN 74 CO 0.70 -0.21 1.76 0.11 -2.79 0.00 0.00 177.10 176.67 3k2g h LYS 75 N 8.27 1.07 -0.45 0.43 1.57 -1.65 -2.86 116.57 122.94 3k2g h LYS 75 Ca -0.32 -0.19 -0.04 0.00 -1.87 0.00 0.00 60.65 58.23 3k2g h LYS 75 Cb 1.16 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 33.28 3k2g h LYS 75 CO 0.64 0.88 0.12 1.25 -0.57 0.00 0.00 179.45 181.78 3k2g h HIS 76 N 1.03 0.67 -0.29 -1.35 2.76 -1.81 -3.07 115.15 113.09 3k2g h HIS 76 Ca 0.24 -0.05 -0.11 0.00 -2.20 0.00 0.00 60.37 58.25 3k2g h HIS 76 Cb 0.21 -0.20 -0.01 0.00 1.55 0.00 0.00 27.41 28.96 3k2g h HIS 76 CO 0.02 0.57 -0.29 -0.97 -1.30 0.00 0.00 177.93 175.95 3k2g h ASN 77 N 0.65 0.60 -0.14 3.26 -1.24 -1.85 -3.36 115.58 113.49 3k2g h ASN 77 Ca 0.15 -0.23 -0.14 0.00 0.71 0.00 0.00 56.30 56.79 3k2g h ASN 77 Cb 0.22 -0.17 -0.05 0.00 0.73 0.00 0.00 38.32 39.06 3k2g h ASN 77 CO -0.01 0.86 -0.04 2.30 -1.29 0.00 0.00 177.43 179.25 3k2g n ILE 78 N -4.09 2.52 -3.37 2.57 -5.35 -1.16 -0.81 119.36 109.67 3k2g n ILE 78 Ca -0.01 -1.15 0.02 0.00 -0.27 0.00 0.00 62.75 61.35 3k2g n ILE 78 Cb 0.45 -1.65 -0.04 0.00 -1.74 0.00 0.00 39.64 36.67 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 -0.03 -2.74 -0.67 -1.28 0.00 -1.26 -1.41 121.76 114.37 3k2g s ALA 79 Ca 0.30 1.98 -0.21 0.00 0.00 0.00 0.00 51.96 54.03 3k2g s ALA 79 Cb 0.16 -2.10 0.09 0.00 0.00 0.00 0.00 23.12 21.27 3k2g s ALA 79 CO -0.02 -1.04 0.90 -0.51 0.00 0.00 0.00 175.76 175.09 3k2g s LEU 80 N 2.56 4.82 0.00 0.00 1.43 -1.06 -4.63 118.68 121.79 3k2g s LEU 80 Ca -0.01 -1.27 0.00 0.00 -1.03 0.00 0.00 54.13 51.82 3k2g s LEU 80 Cb -0.07 -2.38 0.00 0.00 0.03 0.00 0.00 46.19 43.77 3k2g s LEU 80 CO -0.17 -1.29 0.76 -0.90 0.23 0.00 0.00 176.35 174.99 3k2g n ASP 81 N 7.09 1.20 -4.25 2.29 5.68 -1.26 -1.56 116.55 125.73 3k2g n ASP 81 Ca -0.02 -1.56 -0.40 0.00 -0.50 0.00 0.00 54.79 52.30 3k2g n ASP 81 Cb 0.45 0.00 -0.10 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 -0.56 5.65 0.19 -1.12 -1.08 -1.26 -4.96 116.67 113.52 3k2g s ASP 82 Ca 0.00 -1.61 -0.11 0.00 -0.52 0.00 0.00 52.55 50.31 3k2g s ASP 82 Cb 0.00 -1.99 0.12 0.00 -1.46 0.00 0.00 42.92 39.59 3k2g s ASP 82 CO 0.00 -0.58 1.82 -0.07 0.52 0.00 0.00 175.17 176.87 3k2g h LEU 83 N 8.41 0.83 -0.86 -1.34 3.38 -1.93 -1.16 115.31 122.65 3k2g h LEU 83 Ca -0.22 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.67 3k2g h LEU 83 Cb 1.08 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 41.58 3k2g h LEU 83 CO 0.78 0.66 0.55 0.44 0.09 0.00 0.00 178.44 180.97 3k2g h ASP 84 N 0.93 1.00 -0.44 -0.43 3.32 -1.99 0.81 116.42 119.62 3k2g h ASP 84 Ca 0.24 -0.04 -0.12 0.00 0.02 0.00 0.00 57.03 57.13 3k2g h ASP 84 Cb 0.00 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.29 3k2g h ASP 84 CO -0.04 0.74 -0.19 0.25 -1.72 0.00 0.00 179.24 178.28 3k2g h LEU 85 N 1.17 0.96 -0.46 1.55 5.85 -1.92 -1.42 115.31 121.02 3k2g h LEU 85 Ca 0.31 -0.35 0.02 0.00 0.84 0.00 0.00 57.88 58.71 3k2g h LEU 85 Cb -0.10 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 40.63 3k2g h LEU 85 CO -0.06 1.12 0.27 0.00 -0.34 0.00 0.00 178.44 179.42 3k2g h ALA 86 N 0.95 0.59 -0.38 1.25 0.00 -0.39 0.43 119.26 121.72 3k2g h ALA 86 Ca 0.11 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3k2g h ALA 86 Cb 0.75 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 3k2g h ALA 86 CO 0.06 -0.05 0.24 0.82 0.00 0.00 0.00 179.25 180.32 3k2g h ILE 87 N 0.54 1.10 -0.13 0.00 2.04 -0.56 -0.13 117.51 120.37 3k2g h ILE 87 Ca 0.19 -0.21 -0.01 0.00 1.00 0.00 0.00 64.86 65.84 3k2g h ILE 87 Cb 0.03 0.57 -0.01 0.00 -0.74 0.00 0.00 36.82 36.67 3k2g h ILE 87 CO -0.09 0.10 0.05 0.00 0.00 0.00 0.00 178.15 178.21 3k2g h ALA 88 N 1.13 0.17 -0.79 1.87 0.00 -0.87 -1.84 119.26 118.93 3k2g h ALA 88 Ca 0.14 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 54.98 3k2g h ALA 88 Cb -0.04 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 3k2g h ALA 88 CO -0.03 -0.25 0.51 0.93 0.00 0.00 0.00 179.25 180.41 3k2g h GLU 89 N 0.06 0.99 -0.32 0.00 4.39 -0.72 -2.24 114.58 116.74 3k2g h GLU 89 Ca 0.04 -0.06 -0.06 0.00 0.34 0.00 0.00 59.36 59.62 3k2g h GLU 89 Cb 0.16 -0.22 -0.02 0.00 -0.10 0.00 0.00 28.75 28.56 3k2g h GLU 89 CO -0.00 0.66 -0.07 0.28 -1.16 0.00 0.00 179.01 178.71 3k2g h VAL 90 N 1.02 1.22 0.00 3.13 2.07 -0.87 -2.51 116.25 120.31 3k2g h VAL 90 Ca 0.30 -0.94 -0.01 0.00 0.82 0.00 0.00 66.70 66.87 3k2g h VAL 90 Cb -0.05 1.06 -0.00 0.00 -1.52 0.00 0.00 31.29 30.78 3k2g h VAL 90 CO -0.09 0.32 -0.05 0.11 0.02 0.00 0.00 177.57 177.88 3k2g h LYS 91 N 0.50 0.00 -0.76 1.57 1.57 -0.71 -0.75 116.57 117.99 3k2g h LYS 91 Ca 0.10 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.85 3k2g h LYS 91 Cb 0.44 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.71 3k2g h LYS 91 CO 0.02 0.05 0.34 1.96 -0.57 0.00 0.00 179.45 181.25 3k2g h GLN 92 N 0.00 1.10 -0.25 3.15 4.20 -1.34 0.85 115.11 122.82 3k2g h GLN 92 Ca -0.00 -0.17 -0.04 0.00 0.06 0.00 0.00 58.65 58.50 3k2g h GLN 92 Cb 0.10 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 27.67 3k2g h GLN 92 CO 0.01 0.86 -0.01 0.35 -0.67 0.00 0.00 178.83 179.37 3k2g h PHE 93 N 1.08 0.48 -0.31 2.96 3.57 -1.23 -2.90 116.94 120.60 3k2g h PHE 93 Ca 0.26 -0.09 -0.02 0.00 3.53 0.00 0.00 57.97 61.65 3k2g h PHE 93 Cb 0.14 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 38.74 3k2g h PHE 93 CO 0.01 0.62 0.11 0.00 -2.23 0.00 0.00 178.31 176.82 3k2g h ALA 94 N 0.80 1.61 0.00 2.41 0.00 -1.00 0.13 119.26 123.21 3k2g h ALA 94 Ca 0.07 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 3k2g h ALA 94 Cb 0.43 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 3k2g h ALA 94 CO 0.01 0.31 -0.09 0.00 0.00 0.00 0.00 179.25 179.48 3k2g h ALA 95 N 1.68 1.21 -0.40 0.00 0.00 -0.64 -2.44 119.26 118.67 3k2g h ALA 95 Ca 0.11 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 3k2g h ALA 95 Cb 0.12 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 3k2g h ALA 95 CO -0.01 0.12 0.03 1.33 0.00 0.00 0.00 179.25 180.72 3k2g n VAL 96 N -3.51 2.51 0.00 0.00 0.24 -0.81 -4.92 118.33 111.85 3k2g n VAL 96 Ca -0.02 -1.80 0.00 0.00 -2.04 0.00 0.00 64.34 60.48 3k2g n VAL 96 Cb 0.23 -0.28 0.00 0.00 -1.47 0.00 0.00 33.84 32.32 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 -0.24 0.45 3.72 7.63 0.00 -0.92 -5.00 105.19 110.83 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 0.61 0.00 0.00 0.00 173.32 173.93 3k2g n GLY 98 N -1.70 1.37 0.02 -0.02 0.00 0.40 -4.56 105.19 100.69 3k2g n GLY 98 Ca 0.00 0.54 -0.02 0.00 0.00 0.00 0.00 46.02 46.54 3k2g n GLY 98 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3k2g n ARG 99 N 2.96 1.14 -3.93 1.61 3.00 0.11 -4.22 116.66 117.32 3k2g n ARG 99 Ca 0.12 0.02 -0.10 0.00 -0.00 0.00 0.00 57.85 57.89 3k2g n ARG 99 Cb 0.35 -1.08 -0.10 0.00 0.00 0.00 0.00 32.46 31.63 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 -4.09 0.17 -0.02 6.15 0.01 -0.95 -1.13 113.70 113.84 3k2g s SER 100 Ca -0.04 -0.49 0.02 0.00 1.31 0.00 0.00 55.95 56.75 3k2g s SER 100 Cb 0.01 0.20 0.01 0.00 0.21 0.00 0.00 66.02 66.45 3k2g s SER 100 CO 0.11 -0.46 -0.07 -0.63 0.41 0.00 0.00 173.24 172.60 3k2g s ILE 101 N -2.28 0.61 -0.32 1.44 1.01 0.44 -1.81 121.20 120.28 3k2g s ILE 101 Ca -0.08 -0.25 -0.11 0.00 0.00 0.00 0.00 60.65 60.21 3k2g s ILE 101 Cb -0.03 -0.56 -0.02 0.00 0.01 0.00 0.00 42.46 41.86 3k2g s ILE 101 CO -0.03 0.20 0.19 -0.69 0.00 0.00 0.00 174.94 174.62 3k2g s VAL 102 N 0.32 4.98 -0.46 2.92 1.01 0.44 -1.53 120.40 128.08 3k2g s VAL 102 Ca -0.04 -0.27 -0.12 0.00 0.00 0.00 0.00 61.98 61.55 3k2g s VAL 102 Cb -0.09 -3.53 0.09 0.00 0.00 0.00 0.00 36.38 32.86 3k2g s VAL 102 CO 0.00 0.05 0.34 -0.62 0.00 0.00 0.00 175.10 174.88 3k2g s ASP 103 N 1.68 5.85 -0.02 3.32 -1.08 -0.16 -1.82 116.67 124.44 3k2g s ASP 103 Ca 0.06 -1.57 0.03 0.00 -0.52 0.00 0.00 52.55 50.55 3k2g s ASP 103 Cb -0.17 -2.07 0.14 0.00 -1.46 0.00 0.00 42.92 39.35 3k2g s ASP 103 CO 0.09 -0.64 0.90 -0.81 0.52 0.00 0.00 175.17 175.23 3k2g n PRO 104 N 5.03 1.53 -1.70 4.34 -0.04 -1.25 -1.76 135.00 141.15 3k2g n PRO 104 Ca -0.11 -0.53 -0.42 0.00 -0.04 0.00 0.00 63.50 62.40 3k2g n PRO 104 Cb 0.42 -1.39 -0.03 0.00 -0.04 0.00 0.00 33.50 32.46 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 2.96 0.00 0.52 2.01 -1.26 -4.43 115.64 113.88 3k2g s THR 105 Ca 0.10 0.08 0.00 0.00 0.31 0.00 0.00 61.69 62.17 3k2g s THR 105 Cb 0.06 -3.05 0.00 0.00 0.01 0.00 0.00 72.50 69.52 3k2g s THR 105 CO 0.04 -0.01 0.00 0.00 -0.69 0.00 0.00 174.62 173.97 3k2g s ARG 107 N 1.70 4.30 0.00 0.00 0.52 -0.61 -2.76 118.95 122.10 3k2g s ARG 107 Ca 0.00 2.16 0.00 0.00 -0.52 0.00 0.00 55.73 57.37 3k2g s ARG 107 Cb 0.00 -3.21 0.00 0.00 0.52 0.00 0.00 34.95 32.26 3k2g s ARG 107 CO 0.00 -0.46 0.00 0.41 0.02 0.00 0.00 175.30 175.27 3k2g n GLY 108 N 3.38 2.79 0.79 -3.53 0.00 -1.26 -3.53 105.19 103.83 3k2g n GLY 108 Ca 0.11 0.00 0.07 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 -0.43 1.77 -0.34 -0.61 -5.35 -1.11 -4.93 119.36 108.35 3k2g n ILE 109 Ca 0.00 -1.52 0.00 0.00 -0.27 0.00 0.00 62.75 60.96 3k2g n ILE 109 Cb 0.00 0.05 0.00 0.00 -1.74 0.00 0.00 39.64 37.95 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 -0.10 1.45 3.76 3.28 0.00 -1.24 -0.90 105.19 111.44 3k2g n GLY 110 Ca 0.17 -0.19 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 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 -1.26 4.15 -0.31 1.61 3.52 -1.18 -4.52 118.95 120.96 3k2g s ARG 111 Ca 0.00 2.52 0.02 0.00 -0.13 0.00 0.00 55.73 58.14 3k2g s ARG 111 Cb 0.00 -3.03 0.15 0.00 -1.56 0.00 0.00 34.95 30.52 3k2g s ARG 111 CO 0.00 -0.56 0.38 0.34 -0.81 0.00 0.00 175.30 174.65 3k2g s ASP 112 N 0.30 0.77 0.48 -2.12 -1.08 -1.26 -5.02 116.67 108.73 3k2g s ASP 112 Ca 0.60 -0.67 0.17 0.00 -0.52 0.00 0.00 52.55 52.13 3k2g s ASP 112 Cb -0.46 0.90 1.17 0.00 -1.46 0.00 0.00 42.92 43.07 3k2g s ASP 112 CO 0.51 -0.34 2.02 1.55 0.52 0.00 0.00 175.17 179.42 3k2g h PRO 113 N 7.98 0.22 -0.30 4.34 0.13 -1.94 -2.26 132.00 140.17 3k2g h PRO 113 Ca -0.07 -0.01 -0.02 0.00 -0.87 0.00 0.00 66.00 65.02 3k2g h PRO 113 Cb 1.10 -0.05 -0.01 0.00 0.13 0.00 0.00 31.00 32.17 3k2g h PRO 113 CO 0.27 0.14 0.09 0.28 -0.23 0.00 0.00 178.00 178.55 3k2g h VAL 114 N 0.22 1.20 -0.23 1.56 2.07 -1.95 -0.97 116.25 118.14 3k2g h VAL 114 Ca 0.22 -0.65 -0.12 0.00 0.82 0.00 0.00 66.70 66.97 3k2g h VAL 114 Cb 0.56 1.06 -0.01 0.00 -1.52 0.00 0.00 31.29 31.39 3k2g h VAL 114 CO -0.04 0.22 -0.38 0.11 0.02 0.00 0.00 177.57 177.50 3k2g h LYS 115 N 0.33 0.53 -0.44 1.57 1.57 -1.89 -2.11 116.57 116.12 3k2g h LYS 115 Ca 0.10 -0.25 -0.04 0.00 -1.87 0.00 0.00 60.65 58.59 3k2g h LYS 115 Cb 0.24 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.53 3k2g h LYS 115 CO -0.00 0.82 0.12 -0.07 -0.57 0.00 0.00 179.45 179.75 3k2g h LEU 116 N 0.44 0.65 -1.36 2.94 3.38 -1.25 -1.47 115.31 118.64 3k2g h LEU 116 Ca 0.04 -0.22 -0.02 0.00 0.09 0.00 0.00 57.88 57.77 3k2g h LEU 116 Cb 0.86 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.41 3k2g h LEU 116 CO 0.07 0.70 0.17 0.03 0.09 0.00 0.00 178.44 179.51 3k2g h ARG 117 N 0.58 0.61 -0.32 1.13 3.08 -0.98 -0.17 114.38 118.31 3k2g h ARG 117 Ca 0.14 -0.08 -0.08 0.00 0.07 0.00 0.00 59.98 60.03 3k2g h ARG 117 Cb 0.29 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.22 3k2g h ARG 117 CO -0.00 0.50 -0.11 -0.09 -1.07 0.00 0.00 179.97 179.20 3k2g h ARG 118 N 0.61 0.64 -0.52 0.04 2.43 -0.96 -0.82 114.38 115.79 3k2g h ARG 118 Ca 0.15 -0.26 -0.02 0.00 -0.81 0.00 0.00 59.98 59.04 3k2g h ARG 118 Cb 0.12 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.62 3k2g h ARG 118 CO -0.02 0.84 0.27 0.82 -1.51 0.00 0.00 179.97 180.37 3k2g h ILE 119 N 0.41 1.19 -0.41 1.20 2.04 -0.65 -0.54 117.51 120.75 3k2g h ILE 119 Ca 0.08 -0.51 -0.09 0.00 1.00 0.00 0.00 64.86 65.33 3k2g h ILE 119 Cb 0.62 0.57 -0.02 0.00 -0.74 0.00 0.00 36.82 37.26 3k2g h ILE 119 CO 0.04 0.21 -0.13 0.77 0.00 0.00 0.00 178.15 179.03 3k2g h SER 120 N 0.70 0.74 0.19 1.72 4.64 -1.00 -0.64 113.55 119.89 3k2g h SER 120 Ca 0.18 -0.23 -0.01 0.00 -0.47 0.00 0.00 61.79 61.27 3k2g h SER 120 Cb 0.09 -0.20 0.00 0.00 -0.31 0.00 0.00 62.40 61.98 3k2g h SER 120 CO -0.03 0.89 -0.09 0.00 -0.87 0.00 0.00 176.83 176.73 3k2g h ALA 121 N 1.18 -0.26 0.00 5.18 0.00 -0.71 0.01 119.26 124.67 3k2g h ALA 121 Ca 0.11 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3k2g h ALA 121 Cb 0.61 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.50 3k2g h ALA 121 CO 0.04 -0.55 0.00 0.93 0.00 0.00 0.00 179.25 179.67 3k2g h GLU 122 N -0.44 0.00 0.00 0.00 5.08 -1.05 -3.31 114.58 114.86 3k2g h GLU 122 Ca -0.03 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.19 3k2g h GLU 122 Cb 0.33 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.56 3k2g h GLU 122 CO 0.04 0.00 -1.89 0.25 -1.00 0.00 0.00 179.01 176.41 3k2g n THR 123 N -2.48 0.55 -0.84 1.13 -2.24 -0.25 -4.98 114.28 105.16 3k2g n THR 123 Ca 0.04 -0.51 0.00 0.00 -2.27 0.00 0.00 64.05 61.31 3k2g n THR 123 Cb 0.41 -0.26 0.00 0.00 -2.10 0.00 0.00 70.33 68.38 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 1.85 0.78 3.73 3.38 0.00 -0.01 -4.95 105.19 109.97 3k2g n GLY 124 Ca -0.14 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.98 5.12 0.18 1.61 1.01 -1.24 -5.00 120.40 119.09 3k2g s VAL 125 Ca 0.00 1.06 -0.30 0.00 0.00 0.00 0.00 61.98 62.74 3k2g s VAL 125 Cb 0.00 -3.86 -0.08 0.00 0.00 0.00 0.00 36.38 32.44 3k2g s VAL 125 CO 0.00 0.35 1.13 -1.10 0.00 0.00 0.00 175.10 175.47 3k2g s GLN 126 N 0.42 4.57 -0.10 2.72 -0.21 -0.28 -4.36 119.66 122.42 3k2g s GLN 126 Ca 0.28 1.76 0.04 0.00 0.02 0.00 0.00 55.36 57.46 3k2g s GLN 126 Cb -0.16 -3.26 0.00 0.00 1.00 0.00 0.00 33.01 30.59 3k2g s GLN 126 CO 0.13 0.04 -0.22 0.08 -2.12 0.00 0.00 175.29 173.19 3k2g s VAL 127 N -0.24 1.95 0.27 1.09 1.01 -1.26 -0.42 120.40 122.80 3k2g s VAL 127 Ca 0.50 -0.95 0.03 0.00 0.00 0.00 0.00 61.98 61.56 3k2g s VAL 127 Cb -0.30 -1.70 0.03 0.00 0.00 0.00 0.00 36.38 34.41 3k2g s VAL 127 CO 0.36 0.54 0.25 0.52 0.00 0.00 0.00 175.10 176.76 3k2g n VAL 128 N 3.61 0.00 -3.33 2.92 0.31 -0.58 -0.84 118.33 120.42 3k2g n VAL 128 Ca -0.19 -1.01 0.00 0.00 -0.01 0.00 0.00 64.34 63.13 3k2g n VAL 128 Cb 0.53 -0.42 0.00 0.00 -0.91 0.00 0.00 33.84 33.04 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 1.77 4.32 3.84 2.92 0.00 -0.72 -0.99 105.19 116.33 3k2g n GLY 130 Ca 0.02 -1.44 -0.01 0.00 0.00 0.00 0.00 46.02 44.59 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 -1.85 -1.91 0.00 4.61 0.00 -1.21 -4.86 121.76 116.54 3k2g s ALA 131 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 51.96 51.95 3k2g s ALA 131 Cb 0.00 0.71 0.00 0.00 0.00 0.00 0.00 23.12 23.83 3k2g s ALA 131 CO 0.00 -1.08 0.00 0.41 0.00 0.00 0.00 175.76 175.09 3k2g n GLY 132 N -0.68 -1.71 3.63 0.00 0.00 -1.26 -1.29 105.19 103.88 3k2g n GLY 132 Ca -0.03 -2.01 -0.33 0.00 0.00 0.00 0.00 46.02 43.66 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 0.00 2.98 0.00 1.61 2.02 -1.26 -1.57 117.35 121.13 3k2g s TYR 133 Ca 0.00 0.02 0.00 0.00 -0.37 0.00 0.00 57.07 56.72 3k2g s TYR 133 Cb 0.00 -1.65 0.00 0.00 -0.40 0.00 0.00 41.96 39.91 3k2g s TYR 133 CO 0.00 0.41 0.00 0.98 -1.57 0.00 0.00 175.55 175.37 3k2g n TYR 134 N 1.61 0.00 -1.65 2.71 9.36 -1.23 -1.85 117.16 126.12 3k2g n TYR 134 Ca -0.16 0.00 -0.36 0.00 3.32 0.00 0.00 57.90 60.71 3k2g n TYR 134 Cb 0.53 0.00 0.08 0.00 -0.63 0.00 0.00 39.34 39.31 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 3.49 0.21 2.98 1.43 -1.26 -3.90 118.68 121.62 3k2g s LEU 135 Ca 0.00 2.51 -0.19 0.00 -1.03 0.00 0.00 54.13 55.43 3k2g s LEU 135 Cb 0.00 -4.61 0.19 0.00 0.03 0.00 0.00 46.19 41.81 3k2g s LEU 135 CO 0.00 -2.08 1.57 0.00 0.23 0.00 0.00 176.35 176.07 3k2g h ALA 136 N 0.26 0.09 0.00 4.21 0.00 -1.96 -0.78 119.26 121.08 3k2g h ALA 136 Ca -0.50 0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.64 3k2g h ALA 136 Cb 1.32 0.87 0.00 0.00 0.00 0.00 0.00 17.79 19.98 3k2g h ALA 136 CO 0.52 -0.63 0.14 0.66 0.00 0.00 0.00 179.25 179.93 3k2g h SER 137 N -0.08 0.00 -3.20 0.00 4.64 -1.99 -3.45 113.55 109.47 3k2g h SER 137 Ca 0.30 0.00 -0.80 0.00 -0.47 0.00 0.00 61.79 60.82 3k2g h SER 137 Cb 0.58 0.00 -0.27 0.00 -0.31 0.00 0.00 62.40 62.40 3k2g h SER 137 CO -0.83 0.00 0.68 -1.54 -0.87 0.00 0.00 176.83 174.27 3k2g n SER 138 N -2.64 5.74 -4.35 4.97 3.41 -0.30 -5.02 113.62 115.43 3k2g n SER 138 Ca -0.02 -3.14 -0.26 0.00 -0.26 0.00 0.00 58.87 55.19 3k2g n SER 138 Cb 0.18 -1.37 -0.12 0.00 -0.26 0.00 0.00 64.21 62.64 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 -1.42 1.30 0.60 4.33 0.04 -1.26 -4.46 135.00 134.14 3k2g s PRO 140 Ca 0.32 -1.32 0.28 0.00 0.04 0.00 0.00 61.00 60.33 3k2g s PRO 140 Cb -0.05 -1.64 1.46 0.00 0.04 0.00 0.00 34.50 34.31 3k2g s PRO 140 CO -0.02 0.38 1.87 1.05 0.04 0.00 0.00 177.00 180.32 3k2g h GLU 141 N 3.78 0.00 0.00 4.56 4.11 -2.00 0.15 114.58 125.17 3k2g h GLU 141 Ca -0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.95 3k2g h GLU 141 Cb 1.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.43 3k2g h GLU 141 CO 0.42 0.00 0.00 1.79 0.07 0.00 0.00 179.01 181.29 3k2g h THR 142 N 0.00 0.00 0.00 -1.06 1.35 -2.03 -3.05 112.91 108.12 3k2g h THR 142 Ca 0.19 -0.36 -0.06 0.00 -0.55 0.00 0.00 66.41 65.62 3k2g h THR 142 Cb 1.18 1.21 -0.01 0.00 -1.73 0.00 0.00 68.15 68.80 3k2g h THR 142 CO -0.00 0.00 -0.31 0.00 -0.25 0.00 0.00 175.52 174.96 3k2g h ALA 143 N 2.22 1.11 -0.70 6.62 0.00 -1.11 -3.12 119.26 124.28 3k2g h ALA 143 Ca 0.00 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.63 3k2g h ALA 143 Cb 0.47 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 3k2g h ALA 143 CO 0.00 0.38 0.43 0.00 0.00 0.00 0.00 179.25 180.07 3k2g h ALA 144 N 1.69 1.45 0.00 0.00 0.00 -1.70 -2.31 119.26 118.38 3k2g h ALA 144 Ca -0.00 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 3k2g h ALA 144 Cb 0.73 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 3k2g h ALA 144 CO 0.04 0.49 -0.12 0.00 0.00 0.00 0.00 179.25 179.66 3k2g h ARG 145 N 0.96 0.00 -6.74 0.00 3.08 -1.76 -3.45 114.38 106.47 3k2g h ARG 145 Ca 0.25 0.00 -0.51 0.00 0.07 0.00 0.00 59.98 59.79 3k2g h ARG 145 Cb -0.06 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.01 3k2g h ARG 145 CO -0.05 0.12 0.50 -0.51 -1.07 0.00 0.00 179.97 178.96 3k2g s LEU 146 N -6.40 4.51 0.56 3.04 1.43 -0.87 -5.06 118.68 115.89 3k2g s LEU 146 Ca 0.03 2.23 -0.01 0.00 -1.03 0.00 0.00 54.13 55.35 3k2g s LEU 146 Cb 0.08 -3.62 0.03 0.00 0.03 0.00 0.00 46.19 42.71 3k2g s LEU 146 CO 0.62 -0.22 0.80 -0.94 0.23 0.00 0.00 176.35 176.84 3k2g s SER 147 N -0.44 5.32 0.19 2.29 1.04 -1.26 -4.91 113.70 115.93 3k2g s SER 147 Ca 0.48 0.16 -0.11 0.00 0.48 0.00 0.00 55.95 56.96 3k2g s SER 147 Cb -0.32 -1.08 0.18 0.00 0.10 0.00 0.00 66.02 64.90 3k2g s SER 147 CO 0.39 -1.13 1.81 0.00 0.98 0.00 0.00 173.24 175.28 3k2g h ALA 148 N 0.00 0.77 -0.68 5.32 0.00 -1.97 -1.08 119.26 121.63 3k2g h ALA 148 Ca -0.43 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.47 3k2g h ALA 148 Cb 1.29 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.93 3k2g h ALA 148 CO 0.55 0.01 0.37 -0.44 0.00 0.00 0.00 179.25 179.74 3k2g h ASP 149 N 0.63 0.83 -0.75 0.00 3.32 -1.92 0.40 116.42 118.92 3k2g h ASP 149 Ca 0.26 -0.07 -0.04 0.00 0.02 0.00 0.00 57.03 57.20 3k2g h ASP 149 Cb 0.12 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.43 3k2g h ASP 149 CO -0.15 0.68 0.31 0.44 -1.72 0.00 0.00 179.24 178.80 3k2g h ASP 150 N 0.94 1.03 -0.64 6.45 3.32 -1.63 0.12 116.42 126.02 3k2g h ASP 150 Ca 0.24 -0.17 -0.08 0.00 0.02 0.00 0.00 57.03 57.04 3k2g h ASP 150 Cb 0.03 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.29 3k2g h ASP 150 CO -0.04 0.91 0.09 0.40 -1.72 0.00 0.00 179.24 178.89 3k2g h ILE 151 N 1.08 1.26 -0.55 0.35 2.04 -0.40 -1.60 117.51 119.69 3k2g h ILE 151 Ca 0.25 -1.04 -0.06 0.00 1.00 0.00 0.00 64.86 65.01 3k2g h ILE 151 Cb 0.20 0.66 -0.02 0.00 -0.74 0.00 0.00 36.82 36.92 3k2g h ILE 151 CO -0.02 0.39 0.12 0.00 0.00 0.00 0.00 178.15 178.63 3k2g h ALA 152 N 1.09 0.73 -0.76 1.87 0.00 -0.35 -2.37 119.26 119.47 3k2g h ALA 152 Ca 0.20 -0.23 0.03 0.00 0.00 0.00 0.00 54.91 54.91 3k2g h ALA 152 Cb 0.45 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 17.98 3k2g h ALA 152 CO 0.01 0.45 0.48 -0.44 0.00 0.00 0.00 179.25 179.76 3k2g h ASP 153 N 0.80 0.80 -0.49 0.00 3.32 -0.40 0.05 116.42 120.50 3k2g h ASP 153 Ca 0.17 -0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.21 3k2g h ASP 153 Cb 0.37 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.72 3k2g h ASP 153 CO 0.01 0.55 0.28 -0.33 -1.72 0.00 0.00 179.24 178.03 3k2g h GLU 154 N 0.94 0.67 -0.66 3.56 5.08 -1.05 -1.20 114.58 121.92 3k2g h GLU 154 Ca 0.30 -0.07 -0.04 0.00 -1.00 0.00 0.00 59.36 58.55 3k2g h GLU 154 Cb 0.01 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.10 3k2g h GLU 154 CO -0.11 0.51 0.24 0.82 -1.00 0.00 0.00 179.01 179.46 3k2g h ILE 155 N 0.64 1.24 -0.80 3.13 2.04 -0.92 -2.38 117.51 120.46 3k2g h ILE 155 Ca 0.17 -0.80 -0.01 0.00 1.00 0.00 0.00 64.86 65.22 3k2g h ILE 155 Cb 0.02 0.53 -0.04 0.00 -0.74 0.00 0.00 36.82 36.59 3k2g h ILE 155 CO -0.03 0.31 0.46 0.58 0.00 0.00 0.00 178.15 179.47 3k2g h VAL 156 N 0.94 1.23 -0.35 1.67 2.07 -0.62 -2.03 116.25 119.17 3k2g h VAL 156 Ca 0.22 -0.55 -0.05 0.00 0.82 0.00 0.00 66.70 67.13 3k2g h VAL 156 Cb 0.25 0.14 -0.02 0.00 -1.52 0.00 0.00 31.29 30.14 3k2g h VAL 156 CO -0.01 0.25 -0.01 0.00 0.02 0.00 0.00 177.57 177.82 3k2g h ALA 157 N 1.24 1.33 0.00 1.67 0.00 -0.90 -1.64 119.26 120.96 3k2g h ALA 157 Ca 0.29 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 3k2g h ALA 157 Cb -0.00 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 3k2g h ALA 157 CO -0.05 0.46 -0.19 0.93 0.00 0.00 0.00 179.25 180.40 3k2g h GLU 158 N 0.52 0.00 0.04 0.00 5.08 -1.04 0.17 114.58 119.35 3k2g h GLU 158 Ca 0.11 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 58.23 3k2g h GLU 158 Cb 0.36 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.58 3k2g h GLU 158 CO 0.01 0.19 -1.14 0.00 -1.00 0.00 0.00 179.01 177.07 3k2g h ALA 159 N 1.81 0.32 0.00 3.43 0.00 -0.81 -2.05 119.26 121.97 3k2g h ALA 159 Ca -0.00 -0.96 -0.30 0.00 0.00 0.00 0.00 54.91 53.65 3k2g h ALA 159 Cb 1.00 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.69 3k2g h ALA 159 CO 0.02 1.21 -2.13 1.28 0.00 0.00 0.00 179.25 179.64 3k2g n LEU 160 N -3.37 1.44 -0.05 0.00 4.77 -0.67 -4.65 117.00 114.47 3k2g n LEU 160 Ca -0.04 -0.05 -0.10 0.00 -0.03 0.00 0.00 56.01 55.78 3k2g n LEU 160 Cb 0.97 -0.14 -0.04 0.00 -2.33 0.00 0.00 43.42 41.88 3k2g n LEU 160 CO 0.49 0.61 -0.85 -1.84 -1.33 0.00 0.00 177.39 174.47 3k2g n GLU 161 N -2.84 0.23 0.00 3.23 0.28 0.57 -5.07 120.64 117.05 3k2g n GLU 161 Ca -0.31 0.09 0.00 0.00 -0.16 0.00 0.00 57.16 56.78 3k2g n GLU 161 Cb 0.95 -0.96 0.00 0.00 1.43 0.00 0.00 31.44 32.86 3k2g n GLU 161 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3k2g n GLY 162 N 2.54 0.97 3.04 -1.84 0.00 -0.94 -4.67 105.19 104.29 3k2g n GLY 162 Ca -0.20 -0.92 -0.22 0.00 0.00 0.00 0.00 46.02 44.68 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 0.96 -1.46 2.61 2.01 -0.33 -3.76 115.64 113.67 3k2g s THR 163 Ca 0.00 -0.46 -0.02 0.00 0.31 0.00 0.00 61.69 61.52 3k2g s THR 163 Cb 0.00 -0.84 0.02 0.00 0.01 0.00 0.00 72.50 71.69 3k2g s THR 163 CO 0.00 0.29 0.39 -0.67 -0.69 0.00 0.00 174.62 173.93 3k2g n ASP 164 N 3.20 -0.40 -0.04 3.53 2.03 -1.26 -0.93 116.55 122.67 3k2g n ASP 164 Ca -0.18 -1.05 -0.01 0.00 0.52 0.00 0.00 54.79 54.08 3k2g n ASP 164 Cb 0.54 -2.78 -0.00 0.00 -0.72 0.00 0.00 41.12 38.16 3k2g n ASP 164 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3k2g n GLY 165 N -2.02 0.41 3.66 0.27 0.00 -1.26 -4.99 105.19 101.26 3k2g n GLY 165 Ca -0.27 -0.08 -0.30 0.00 0.00 0.00 0.00 46.02 45.37 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 -1.78 1.10 -1.45 2.61 -4.23 -0.11 -5.03 115.64 106.75 3k2g s THR 166 Ca 0.00 -2.00 0.18 0.00 -1.18 0.00 0.00 61.69 58.69 3k2g s THR 166 Cb 0.00 -2.34 0.63 0.00 1.34 0.00 0.00 72.50 72.13 3k2g s THR 166 CO 0.00 0.00 1.52 -0.90 -0.54 0.00 0.00 174.62 174.70 3k2g n ASP 167 N -1.21 4.08 -4.71 3.99 5.68 -1.26 -2.02 116.55 121.09 3k2g n ASP 167 Ca -0.13 -2.27 -0.42 0.00 -0.50 0.00 0.00 54.79 51.47 3k2g n ASP 167 Cb 0.66 -0.51 -0.03 0.00 -1.14 0.00 0.00 41.12 40.10 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 -1.60 3.34 0.07 2.12 0.00 -1.26 -4.69 121.76 119.74 3k2g s ALA 168 Ca 0.45 0.78 0.04 0.00 0.00 0.00 0.00 51.96 53.23 3k2g s ALA 168 Cb 0.27 -3.42 -0.04 0.00 0.00 0.00 0.00 23.12 19.94 3k2g s ALA 168 CO 0.25 -0.38 0.02 1.03 0.00 0.00 0.00 175.76 176.67 3k2g s ARG 169 N 1.01 2.69 0.60 0.00 0.52 -1.26 -1.18 118.95 121.33 3k2g s ARG 169 Ca 0.57 -0.75 -0.14 0.00 -0.52 0.00 0.00 55.73 54.88 3k2g s ARG 169 Cb -0.28 -2.62 -0.03 0.00 0.52 0.00 0.00 34.95 32.54 3k2g s ARG 169 CO 0.29 0.56 1.04 0.96 0.02 0.00 0.00 175.30 178.18 3k2g s ILE 170 N -1.29 4.07 0.00 1.52 -4.36 -0.77 -4.53 121.20 115.84 3k2g s ILE 170 Ca 0.26 0.88 0.00 0.00 -0.26 0.00 0.00 60.65 61.53 3k2g s ILE 170 Cb -0.12 -3.49 0.00 0.00 1.25 0.00 0.00 42.46 40.10 3k2g s ILE 170 CO 0.18 -0.67 0.58 0.61 0.24 0.00 0.00 174.94 175.87 3k2g n GLY 171 N -1.47 0.01 3.48 6.27 0.00 -1.26 -4.74 105.19 107.48 3k2g n GLY 171 Ca 0.08 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.29 -0.46 -0.31 0.99 0.20 -1.26 -4.48 118.68 113.07 3k2g s LEU 172 Ca 0.00 0.59 -0.08 0.00 0.69 0.00 0.00 54.13 55.34 3k2g s LEU 172 Cb 0.00 2.38 0.01 0.00 -0.43 0.00 0.00 46.19 48.15 3k2g s LEU 172 CO 0.00 -0.61 0.11 -0.63 -0.29 0.00 0.00 176.35 174.92 3k2g s ILE 173 N -1.37 4.10 0.00 6.68 1.01 -0.40 -3.31 121.20 127.91 3k2g s ILE 173 Ca -0.11 -0.71 0.00 0.00 0.00 0.00 0.00 60.65 59.83 3k2g s ILE 173 Cb -0.01 -3.15 0.00 0.00 0.01 0.00 0.00 42.46 39.31 3k2g s ILE 173 CO 0.08 0.02 0.00 0.61 0.00 0.00 0.00 174.94 175.65 3k2g n GLY 174 N 4.89 0.12 0.63 6.18 0.00 -0.41 -4.18 105.19 112.42 3k2g n GLY 174 Ca -0.14 -1.20 0.00 0.00 0.00 0.00 0.00 46.02 44.68 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 -0.86 0.00 -2.63 1.61 4.07 -1.26 -3.95 120.64 117.62 3k2g n GLU 175 Ca 0.00 0.00 -0.43 0.00 -0.06 0.00 0.00 57.16 56.67 3k2g n GLU 175 Cb 0.00 -1.57 -0.02 0.00 -0.06 0.00 0.00 31.44 29.79 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 -2.26 4.64 -0.02 6.31 -1.09 -1.26 -4.39 121.20 123.14 3k2g s ILE 176 Ca 0.00 1.94 -0.30 0.00 -2.23 0.00 0.00 60.65 60.06 3k2g s ILE 176 Cb 0.00 -4.25 -0.04 0.00 -1.58 0.00 0.00 42.46 36.60 3k2g s ILE 176 CO 0.00 -0.05 1.13 -0.83 -1.23 0.00 0.00 174.94 173.96 3k2g s GLY 177 N 1.24 2.39 -0.20 6.18 0.00 -0.77 -0.57 107.32 115.58 3k2g s GLY 177 Ca 0.49 0.64 -0.01 0.00 0.00 0.00 0.00 44.72 45.84 3k2g s GLY 177 CO 0.16 2.01 -0.01 0.14 0.00 0.00 0.00 173.10 175.40 3k2g s VAL 178 N 1.59 0.97 0.75 1.40 1.01 -1.14 -4.53 120.40 120.44 3k2g s VAL 178 Ca 0.55 -0.80 -0.08 0.00 0.00 0.00 0.00 61.98 61.65 3k2g s VAL 178 Cb -0.24 -1.34 0.08 0.00 0.00 0.00 0.00 36.38 34.88 3k2g s VAL 178 CO 0.25 -0.12 1.07 -0.94 0.00 0.00 0.00 175.10 175.36 3k2g s SER 179 N 1.66 4.56 0.59 3.32 1.04 -1.26 -3.71 113.70 119.89 3k2g s SER 179 Ca -0.02 0.42 0.33 0.00 0.48 0.00 0.00 55.95 57.15 3k2g s SER 179 Cb -0.17 -0.96 1.87 0.00 0.10 0.00 0.00 66.02 66.85 3k2g s SER 179 CO -0.07 -1.78 2.23 0.77 0.98 0.00 0.00 173.24 175.37 3k2g h SER 180 N -0.77 0.00 1.29 7.02 4.64 -1.98 -0.21 113.55 123.55 3k2g h SER 180 Ca -0.44 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 60.80 3k2g h SER 180 Cb 1.31 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.38 3k2g h SER 180 CO 0.57 0.03 -0.73 0.44 -0.87 0.00 0.00 176.83 176.27 3k2g h ASP 181 N 0.00 0.00 -6.29 4.97 3.32 -2.03 -3.48 116.42 112.91 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 0.11 0.00 0.08 0.00 0.22 0.00 0.00 39.33 39.74 3k2g h ASP 181 CO 0.00 0.33 -0.94 0.33 -1.72 0.00 0.00 179.24 177.23 3k2g n PHE 182 N -3.01 -1.86 -0.54 4.55 7.35 -0.09 -4.91 117.46 118.95 3k2g n PHE 182 Ca -0.01 0.42 -0.29 0.00 -0.76 0.00 0.00 57.45 56.81 3k2g n PHE 182 Cb 0.69 -3.39 0.23 0.00 0.35 0.00 0.00 39.48 37.35 3k2g n PHE 182 CO 0.00 0.00 0.00 0.25 -0.76 0.00 0.00 176.76 176.25 3k2g n THR 183 N -4.26 0.00 -0.01 -2.13 -2.24 -1.26 -4.72 114.28 99.66 3k2g n THR 183 Ca -0.10 -0.32 0.02 0.00 -2.27 0.00 0.00 64.05 61.38 3k2g n THR 183 Cb 0.59 -0.97 0.37 0.00 -2.10 0.00 0.00 70.33 68.22 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 -2.45 1.56 -0.36 6.98 0.00 -1.99 -1.21 119.26 121.79 3k2g h ALA 184 Ca -0.56 -0.10 -0.11 0.00 0.00 0.00 0.00 54.91 54.13 3k2g h ALA 184 Cb 1.32 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 3k2g h ALA 184 CO 0.46 0.35 -0.22 0.93 0.00 0.00 0.00 179.25 180.77 3k2g h GLU 185 N 0.55 0.79 -0.26 0.00 5.08 -1.99 -1.33 114.58 117.41 3k2g h GLU 185 Ca 0.14 -0.36 -0.08 0.00 -1.00 0.00 0.00 59.36 58.05 3k2g h GLU 185 Cb 0.10 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 3k2g h GLU 185 CO -0.02 0.99 -0.19 0.93 -1.00 0.00 0.00 179.01 179.72 3k2g h GLU 186 N 0.58 0.46 -0.23 2.33 5.08 -1.75 -0.25 114.58 120.81 3k2g h GLU 186 Ca 0.08 -0.15 -0.05 0.00 -1.00 0.00 0.00 59.36 58.24 3k2g h GLU 186 Cb 0.78 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.98 3k2g h GLU 186 CO 0.06 0.64 -0.04 1.49 -1.00 0.00 0.00 179.01 180.16 3k2g h GLU 187 N 0.42 0.42 -0.60 2.33 4.81 -1.05 0.49 114.58 121.40 3k2g h GLU 187 Ca 0.07 -0.16 0.02 0.00 -0.13 0.00 0.00 59.36 59.17 3k2g h GLU 187 Cb 0.58 -0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.89 3k2g h GLU 187 CO 0.04 0.65 0.38 -0.22 -0.73 0.00 0.00 179.01 179.12 3k2g h LYS 188 N 0.17 0.72 -0.18 1.92 3.64 -0.97 0.39 116.57 122.26 3k2g h LYS 188 Ca 0.06 -0.04 0.01 0.00 -1.27 0.00 0.00 60.65 59.41 3k2g h LYS 188 Cb 0.48 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.12 3k2g h LYS 188 CO 0.02 0.48 0.09 1.03 -2.27 0.00 0.00 179.45 178.80 3k2g h SER 189 N 0.75 0.13 -0.63 4.20 0.87 -0.79 -0.75 113.55 117.33 3k2g h SER 189 Ca 0.24 0.01 -0.06 0.00 -1.23 0.00 0.00 61.79 60.74 3k2g h SER 189 Cb -0.01 -0.02 -0.03 0.00 -0.44 0.00 0.00 62.40 61.91 3k2g h SER 189 CO -0.09 0.10 0.16 0.25 -0.53 0.00 0.00 176.83 176.73 3k2g h LEU 190 N 0.19 0.96 -0.61 2.23 5.85 -0.44 -0.83 115.31 122.67 3k2g h LEU 190 Ca 0.07 -0.19 -0.08 0.00 0.84 0.00 0.00 57.88 58.53 3k2g h LEU 190 Cb 0.02 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.77 3k2g h LEU 190 CO -0.05 0.92 0.07 0.03 -0.34 0.00 0.00 178.44 179.07 3k2g h ARG 191 N 0.98 1.02 -0.61 1.25 3.08 -0.64 0.01 114.38 119.46 3k2g h ARG 191 Ca 0.21 -0.29 -0.04 0.00 0.07 0.00 0.00 59.98 59.93 3k2g h ARG 191 Cb 0.33 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.24 3k2g h ARG 191 CO -0.00 0.97 0.21 0.78 -1.07 0.00 0.00 179.97 180.86 3k2g h GLY 192 N 0.92 0.97 0.91 0.04 0.00 -0.77 -0.73 103.07 104.41 3k2g h GLY 192 Ca 0.18 -0.53 -0.07 0.00 0.00 0.00 0.00 47.33 46.91 3k2g h GLY 192 CO 0.02 0.50 -0.08 0.00 0.00 0.00 0.00 176.54 176.97 3k2g h ALA 193 N 1.34 0.44 -0.65 3.60 0.00 -0.66 -1.57 119.26 121.75 3k2g h ALA 193 Ca 0.20 -0.29 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 3k2g h ALA 193 Cb 0.23 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 3k2g h ALA 193 CO -0.01 0.27 0.22 0.00 0.00 0.00 0.00 179.25 179.74 3k2g h ALA 194 N 0.80 1.16 -0.27 0.00 0.00 -0.71 0.65 119.26 120.89 3k2g h ALA 194 Ca 0.08 -0.19 -0.11 0.00 0.00 0.00 0.00 54.91 54.69 3k2g h ALA 194 Cb 0.58 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 3k2g h ALA 194 CO 0.03 0.59 -0.29 0.00 0.00 0.00 0.00 179.25 179.58 3k2g h ARG 195 N 0.95 0.55 -0.02 0.00 3.08 -1.03 -2.00 114.38 115.91 3k2g h ARG 195 Ca 0.22 -0.23 -0.11 0.00 0.07 0.00 0.00 59.98 59.92 3k2g h ARG 195 Cb 0.24 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.26 3k2g h ARG 195 CO -0.01 0.78 -0.52 0.00 -1.07 0.00 0.00 179.97 179.15 3k2g h ALA 196 N 1.21 1.10 -0.57 0.04 0.00 -0.52 -1.61 119.26 118.91 3k2g h ALA 196 Ca 0.06 -0.47 -0.03 0.00 0.00 0.00 0.00 54.91 54.47 3k2g h ALA 196 Cb 0.74 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.42 3k2g h ALA 196 CO 0.06 0.65 0.23 0.37 0.00 0.00 0.00 179.25 180.56 3k2g h GLN 197 N 0.05 0.85 -0.34 0.00 -0.00 -0.26 0.32 115.11 115.73 3k2g h GLN 197 Ca -0.00 -0.15 -0.05 0.00 -0.00 0.00 0.00 58.65 58.44 3k2g h GLN 197 Cb 0.93 -0.14 -0.01 0.00 0.00 0.00 0.00 27.48 28.26 3k2g h GLN 197 CO 0.07 0.73 0.00 0.28 0.00 0.00 0.00 178.83 179.92 3k2g h VAL 198 N 0.78 1.26 -0.22 2.39 2.07 -1.09 0.17 116.25 121.61 3k2g h VAL 198 Ca 0.19 -0.96 -0.18 0.00 0.82 0.00 0.00 66.70 66.57 3k2g h VAL 198 Cb 0.20 1.21 0.00 0.00 -1.52 0.00 0.00 31.29 31.18 3k2g h VAL 198 CO -0.02 0.32 -0.57 0.03 0.02 0.00 0.00 177.57 177.35 3k2g h ARG 199 N 0.40 0.78 0.00 1.57 3.08 -1.01 -3.32 114.38 115.88 3k2g h ARG 199 Ca 0.10 -0.54 -0.10 0.00 0.07 0.00 0.00 59.98 59.50 3k2g h ARG 199 Cb 0.44 0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.56 3k2g h ARG 199 CO 0.02 1.16 -1.41 0.25 -1.07 0.00 0.00 179.97 178.92 3k2g n THR 200 N -4.06 0.86 -1.05 2.04 -2.24 0.11 -2.73 114.28 107.20 3k2g n THR 200 Ca -0.06 -0.63 -0.02 0.00 -2.27 0.00 0.00 64.05 61.07 3k2g n THR 200 Cb 0.64 -0.49 -0.01 0.00 -2.10 0.00 0.00 70.33 68.36 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 1.33 0.52 3.90 3.38 0.00 0.05 -0.71 105.19 113.66 3k2g n GLY 201 Ca -0.07 -0.30 -0.28 0.00 0.00 0.00 0.00 46.02 45.37 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 -0.42 3.60 0.78 0.99 1.43 -1.25 -0.42 118.68 123.39 3k2g s LEU 202 Ca 0.00 0.95 -0.13 0.00 -1.03 0.00 0.00 54.13 53.93 3k2g s LEU 202 Cb 0.00 -3.91 0.07 0.00 0.03 0.00 0.00 46.19 42.38 3k2g s LEU 202 CO 0.00 -0.60 1.15 -2.84 0.23 0.00 0.00 176.35 174.29 3k2g s PRO 203 N -4.77 1.92 0.34 1.29 0.02 -1.26 -4.76 135.00 127.77 3k2g s PRO 203 Ca 0.48 1.53 0.00 0.00 0.02 0.00 0.00 61.00 63.03 3k2g s PRO 203 Cb -0.10 -1.83 -0.00 0.00 0.02 0.00 0.00 34.50 32.58 3k2g s PRO 203 CO 0.45 -1.95 0.01 -0.11 -0.33 0.00 0.00 177.00 175.07 3k2g n LEU 204 N -3.29 0.00 -3.57 -5.54 7.94 -0.13 -1.28 117.00 111.14 3k2g n LEU 204 Ca 0.12 -2.18 0.02 0.00 -1.11 0.00 0.00 56.01 52.86 3k2g n LEU 204 Cb 0.52 0.30 -0.06 0.00 0.53 0.00 0.00 43.42 44.71 3k2g n LEU 204 CO 0.49 -0.31 0.95 -0.69 -1.11 0.00 0.00 177.39 176.72 3k2g s VAL 206 N -2.30 -0.02 0.01 1.96 1.01 -0.12 0.42 120.40 121.36 3k2g s VAL 206 Ca 0.02 0.00 -0.30 0.00 0.00 0.00 0.00 61.98 61.69 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 0.01 0.00 1.11 -2.28 0.00 0.00 0.00 175.10 173.94 3k2g s HIS 207 N 1.28 3.49 0.16 5.22 5.65 0.26 -1.25 115.29 130.09 3k2g s HIS 207 Ca -0.07 1.45 0.10 0.00 0.25 0.00 0.00 55.06 56.79 3k2g s HIS 207 Cb -0.02 -3.30 -0.04 0.00 -1.18 0.00 0.00 32.58 28.04 3k2g s HIS 207 CO -0.11 -0.77 -0.20 -0.51 -0.65 0.00 0.00 174.74 172.50 3k2g s LEU 208 N 1.27 2.59 -0.90 8.88 1.43 -1.25 -2.91 118.68 127.80 3k2g s LEU 208 Ca 0.55 -0.71 -0.23 0.00 -1.03 0.00 0.00 54.13 52.72 3k2g s LEU 208 Cb -0.25 -1.38 0.07 0.00 0.03 0.00 0.00 46.19 44.66 3k2g s LEU 208 CO 0.27 0.14 1.28 -2.16 0.23 0.00 0.00 176.35 176.11 3k2g s PRO 209 N -2.45 3.45 0.58 1.29 0.04 -1.24 -4.76 135.00 131.90 3k2g s PRO 209 Ca 0.20 -1.05 0.33 0.00 0.04 0.00 0.00 61.00 60.52 3k2g s PRO 209 Cb -0.09 -4.88 1.40 0.00 0.04 0.00 0.00 34.50 30.97 3k2g s PRO 209 CO 0.10 -2.05 1.68 0.78 0.04 0.00 0.00 177.00 177.56 3k2g h GLY 210 N 12.12 0.00 -1.53 0.56 0.00 -1.88 0.08 103.07 112.41 3k2g h GLY 210 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.36 3k2g h GLY 210 CO 1.29 0.00 0.00 0.79 0.00 0.00 0.00 176.54 178.62 3k2g n TRP 211 N -3.78 0.53 -4.39 5.60 8.01 -1.26 -3.89 117.44 118.26 3k2g n TRP 211 Ca 0.22 -0.27 -0.18 0.00 -1.31 0.00 0.00 57.50 55.96 3k2g n TRP 211 Cb 1.23 0.00 -0.04 0.00 -2.01 0.00 0.00 31.31 30.49 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 0.75 0.58 -3.12 -5.99 3.72 0.01 -5.06 117.46 108.36 3k2g n PHE 212 Ca 0.15 -1.39 -0.22 0.00 -0.05 0.00 0.00 57.45 55.94 3k2g n PHE 212 Cb 0.37 -0.19 -0.04 0.00 -0.94 0.00 0.00 39.48 38.68 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 -0.73 1.78 0.00 -1.08 5.12 -1.26 -4.87 116.66 115.62 3k2g n ARG 213 Ca -0.11 -3.92 0.12 0.00 -1.93 0.00 0.00 57.85 52.01 3k2g n ARG 213 Cb 0.36 -1.87 0.20 0.00 -1.16 0.00 0.00 32.46 29.98 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 0.23 2.33 -0.23 0.55 4.77 -1.26 -4.63 117.00 118.74 3k2g n LEU 214 Ca 0.27 -0.78 0.04 0.00 -0.03 0.00 0.00 56.01 55.50 3k2g n LEU 214 Cb 0.55 -0.01 0.15 0.00 -2.33 0.00 0.00 43.42 41.78 3k2g n LEU 214 CO 0.26 0.40 0.88 0.00 -1.33 0.00 0.00 177.39 177.60 3k2g h ALA 215 N 4.39 0.81 -0.39 -1.18 0.00 -1.96 -0.58 119.26 120.35 3k2g h ALA 215 Ca 0.00 0.19 -0.08 0.00 0.00 0.00 0.00 54.91 55.01 3k2g h ALA 215 Cb 0.80 0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 3k2g h ALA 215 CO 0.00 -0.37 -0.10 0.45 0.00 0.00 0.00 179.25 179.23 3k2g h HIS 216 N 0.19 0.74 -0.62 0.00 3.86 -1.97 -0.25 115.15 117.10 3k2g h HIS 216 Ca 0.38 -0.12 -0.09 0.00 -1.16 0.00 0.00 60.37 59.38 3k2g h HIS 216 Cb 0.65 -0.20 -0.02 0.00 1.06 0.00 0.00 27.41 28.90 3k2g h HIS 216 CO -0.32 0.76 0.05 0.00 0.86 0.00 0.00 177.93 179.28 3k2g h ARG 217 N 0.63 1.06 -0.10 2.45 3.08 -1.63 0.31 114.38 120.17 3k2g h ARG 217 Ca 0.11 -0.31 -0.00 0.00 0.07 0.00 0.00 59.98 59.85 3k2g h ARG 217 Cb 0.54 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 30.47 3k2g h ARG 217 CO 0.03 1.01 0.06 0.28 -1.07 0.00 0.00 179.97 180.28 3k2g h VAL 218 N 0.97 1.08 -0.36 2.04 2.07 -0.61 -2.23 116.25 119.20 3k2g h VAL 218 Ca 0.18 -0.20 -0.05 0.00 0.82 0.00 0.00 66.70 67.45 3k2g h VAL 218 Cb 0.50 1.03 -0.02 0.00 -1.52 0.00 0.00 31.29 31.28 3k2g h VAL 218 CO 0.02 0.07 0.00 -0.07 0.02 0.00 0.00 177.57 177.61 3k2g h LEU 219 N 0.08 0.52 -0.41 2.57 3.38 -0.83 -0.92 115.31 119.69 3k2g h LEU 219 Ca 0.04 -0.10 0.02 0.00 0.09 0.00 0.00 57.88 57.92 3k2g h LEU 219 Cb 0.06 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 3k2g h LEU 219 CO -0.01 0.59 0.24 0.44 0.09 0.00 0.00 178.44 179.79 3k2g h ASP 220 N 0.53 0.38 -0.15 -0.43 3.32 -0.63 0.23 116.42 119.67 3k2g h ASP 220 Ca 0.11 0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.14 3k2g h ASP 220 Cb 0.34 -0.07 -0.00 0.00 0.22 0.00 0.00 39.33 39.81 3k2g h ASP 220 CO 0.01 0.27 -0.03 0.25 -1.72 0.00 0.00 179.24 178.03 3k2g h LEU 221 N 0.48 0.28 -0.78 1.55 6.46 -1.05 -0.37 115.31 121.88 3k2g h LEU 221 Ca 0.17 -0.35 0.06 0.00 -0.12 0.00 0.00 57.88 57.63 3k2g h LEU 221 Cb 0.02 -0.08 -0.06 0.00 -0.73 0.00 0.00 40.66 39.82 3k2g h LEU 221 CO -0.08 0.57 0.47 0.58 -0.62 0.00 0.00 178.44 179.36 3k2g h VAL 222 N -0.01 1.03 -0.35 1.05 2.07 -0.92 -1.76 116.25 117.37 3k2g h VAL 222 Ca 0.04 -0.30 -0.06 0.00 0.82 0.00 0.00 66.70 67.20 3k2g h VAL 222 Cb 0.44 0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.27 3k2g h VAL 222 CO 0.01 0.16 -0.01 -0.08 0.02 0.00 0.00 177.57 177.68 3k2g h GLU 223 N 0.88 0.62 0.00 1.57 4.81 -0.40 -1.93 114.58 120.13 3k2g h GLU 223 Ca 0.34 -0.20 -0.02 0.00 -0.13 0.00 0.00 59.36 59.34 3k2g h GLU 223 Cb 0.15 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.47 3k2g h GLU 223 CO -0.16 0.74 -0.12 1.05 -0.73 0.00 0.00 179.01 179.79 3k2g h GLU 224 N 0.42 0.00 -0.06 1.92 4.11 -0.72 -0.70 114.58 119.55 3k2g h GLU 224 Ca 0.10 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.53 3k2g h GLU 224 Cb 0.46 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.71 3k2g h GLU 224 CO 0.02 0.12 0.00 0.39 0.07 0.00 0.00 179.01 179.61 3k2g n GLU 225 N -3.39 1.26 -0.93 1.06 -0.58 -0.69 -4.89 120.64 112.47 3k2g n GLU 225 Ca -0.01 -0.39 0.00 0.00 -0.42 0.00 0.00 57.16 56.35 3k2g n GLU 225 Cb 0.30 -1.30 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 0.88 0.65 3.83 0.62 0.00 -0.27 -4.66 105.19 106.23 3k2g n GLY 226 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.49 2.59 -0.55 4.61 0.00 -0.74 -4.85 121.76 120.32 3k2g s ALA 227 Ca 0.00 -0.09 -0.24 0.00 0.00 0.00 0.00 51.96 51.63 3k2g s ALA 227 Cb 0.00 -3.12 0.04 0.00 0.00 0.00 0.00 23.12 20.04 3k2g s ALA 227 CO 0.00 -1.35 0.95 0.34 0.00 0.00 0.00 175.76 175.70 3k2g s ASP 228 N -3.94 6.34 0.48 0.00 -1.08 -1.26 -4.58 116.67 112.63 3k2g s ASP 228 Ca 0.59 -0.35 0.19 0.00 -0.52 0.00 0.00 52.55 52.45 3k2g s ASP 228 Cb -0.13 -2.44 1.18 0.00 -1.46 0.00 0.00 42.92 40.07 3k2g s ASP 228 CO 0.54 -1.23 2.04 -0.07 0.52 0.00 0.00 175.17 176.97 3k2g h LEU 229 N 10.99 0.00 0.00 -1.34 3.38 -1.93 -2.27 115.31 124.15 3k2g h LEU 229 Ca -0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.71 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 1.09 0.14 0.00 0.54 0.09 0.00 0.00 178.44 180.30 3k2g n ARG 230 N -4.15 0.59 -1.43 1.13 1.74 -1.26 -2.10 116.66 111.17 3k2g n ARG 230 Ca -0.02 0.01 0.03 0.00 -0.77 0.00 0.00 57.85 57.10 3k2g n ARG 230 Cb 0.22 -1.50 0.07 0.00 -1.02 0.00 0.00 32.46 30.23 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 -1.04 0.21 -4.76 -1.55 8.25 -0.86 -4.88 115.22 110.60 3k2g n HIS 231 Ca 0.14 -0.94 -0.33 0.00 -0.26 0.00 0.00 57.72 56.33 3k2g n HIS 231 Cb 0.08 -0.19 -0.14 0.00 1.12 0.00 0.00 29.99 30.86 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 -1.26 3.10 -0.18 1.59 2.01 -0.89 -0.95 115.64 119.05 3k2g s THR 232 Ca 0.35 -0.65 -0.04 0.00 0.31 0.00 0.00 61.69 61.66 3k2g s THR 232 Cb 0.38 -2.30 -0.02 0.00 0.01 0.00 0.00 72.50 70.56 3k2g s THR 232 CO -0.13 0.52 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.60 3k2g s VAL 233 N 0.35 3.75 -0.40 3.82 1.01 0.17 -1.22 120.40 127.88 3k2g s VAL 233 Ca -0.11 -0.39 -0.16 0.00 0.00 0.00 0.00 61.98 61.32 3k2g s VAL 233 Cb -0.16 -2.67 0.01 0.00 0.00 0.00 0.00 36.38 33.56 3k2g s VAL 233 CO 0.06 0.46 0.40 -0.76 0.00 0.00 0.00 175.10 175.25 3k2g s LEU 234 N 0.80 4.80 0.68 3.92 1.43 -0.25 -0.95 118.68 129.12 3k2g s LEU 234 Ca -0.01 -0.60 -0.11 0.00 -1.03 0.00 0.00 54.13 52.38 3k2g s LEU 234 Cb -0.14 -2.34 -0.00 0.00 0.03 0.00 0.00 46.19 43.73 3k2g s LEU 234 CO 0.02 -0.50 1.08 0.00 0.23 0.00 0.00 176.35 177.17 3k2g n HIS 236 N -2.95 -3.95 0.00 0.00 8.25 -1.12 -3.85 115.22 111.60 3k2g n HIS 236 Ca 0.07 2.36 0.00 0.00 -0.26 0.00 0.00 57.72 59.88 3k2g n HIS 236 Cb 0.56 -3.25 0.00 0.00 1.12 0.00 0.00 29.99 28.42 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 1.89 0.00 0.32 0.41 5.03 -1.26 -4.19 115.26 117.46 3k2g n ASN 238 Ca 0.00 0.00 0.20 0.00 0.87 0.00 0.00 54.58 55.65 3k2g n ASN 238 Cb 0.00 0.00 1.09 0.00 -1.02 0.00 0.00 39.78 39.85 3k2g n ASN 238 CO 0.00 0.00 0.00 -0.65 -1.83 0.00 0.00 177.26 174.78 3k2g h PRO 239 N 0.00 0.00 -0.58 3.52 0.11 -1.94 -2.41 132.00 130.70 3k2g h PRO 239 Ca 0.00 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 66.05 3k2g h PRO 239 Cb 0.00 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 31.07 3k2g h PRO 239 CO 0.00 0.00 0.07 -1.13 -0.21 0.00 0.00 178.00 176.73 3k2g n SER 240 N -3.21 5.22 -2.15 -2.05 3.41 -1.25 -4.87 113.62 108.72 3k2g n SER 240 Ca -0.02 -3.05 0.00 0.00 -0.26 0.00 0.00 58.87 55.54 3k2g n SER 240 Cb 0.15 -0.69 0.00 0.00 -0.26 0.00 0.00 64.21 63.41 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 0.23 0.00 -2.39 7.33 1.44 -0.91 -4.44 115.22 116.48 3k2g n HIS 241 Ca 0.31 0.00 -0.03 0.00 -2.01 0.00 0.00 57.72 55.98 3k2g n HIS 241 Cb 1.22 -0.20 0.00 0.00 0.12 0.00 0.00 29.99 31.12 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 1.78 -0.60 -0.21 4.39 -0.08 -1.26 -4.74 116.55 115.83 3k2g n ASP 243 Ca 0.00 -0.10 0.06 0.00 -1.51 0.00 0.00 54.79 53.24 3k2g n ASP 243 Cb 0.00 -0.19 0.33 0.00 2.34 0.00 0.00 41.12 43.59 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 0.72 0.80 -0.33 -0.67 0.13 -2.00 -1.66 132.00 128.99 3k2g h PRO 244 Ca -0.08 -0.05 -0.03 0.00 -0.87 0.00 0.00 66.00 64.97 3k2g h PRO 244 Cb 0.17 -0.18 -0.01 0.00 0.13 0.00 0.00 31.00 31.11 3k2g h PRO 244 CO 0.04 0.53 0.09 0.28 -0.23 0.00 0.00 178.00 178.71 3k2g h VAL 245 N 0.82 1.22 0.09 1.56 2.07 -1.97 0.21 116.25 120.25 3k2g h VAL 245 Ca 0.34 -0.72 0.01 0.00 0.82 0.00 0.00 66.70 67.14 3k2g h VAL 245 Cb 0.26 1.06 -0.01 0.00 -1.52 0.00 0.00 31.29 31.07 3k2g h VAL 245 CO -0.12 0.24 -0.11 0.22 0.02 0.00 0.00 177.57 177.83 3k2g h TYR 246 N 0.38 -0.28 -0.39 1.57 3.20 -1.84 -0.26 116.97 119.35 3k2g h TYR 246 Ca 0.11 0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.94 3k2g h TYR 246 Cb 0.28 0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.65 3k2g h TYR 246 CO 0.01 -0.17 0.09 1.96 -1.64 0.00 0.00 178.16 178.41 3k2g h GLN 247 N -0.23 0.62 -0.47 1.82 4.20 -1.17 -2.70 115.11 117.18 3k2g h GLN 247 Ca 0.01 -0.15 -0.10 0.00 0.06 0.00 0.00 58.65 58.47 3k2g h GLN 247 Cb 0.24 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 27.92 3k2g h GLN 247 CO -0.05 0.66 -0.10 0.00 -0.67 0.00 0.00 178.83 178.67 3k2g h ALA 248 N 0.94 0.93 -0.13 3.87 0.00 -0.49 -2.18 119.26 122.19 3k2g h ALA 248 Ca 0.12 -0.33 -0.10 0.00 0.00 0.00 0.00 54.91 54.61 3k2g h ALA 248 Cb 0.32 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 3k2g h ALA 248 CO 0.00 0.63 -0.35 1.79 0.00 0.00 0.00 179.25 181.32 3k2g h THR 249 N 0.77 1.29 -0.33 0.00 1.35 -0.98 -0.35 112.91 114.65 3k2g h THR 249 Ca 0.13 -1.38 -0.06 0.00 -0.55 0.00 0.00 66.41 64.55 3k2g h THR 249 Cb 0.61 1.58 -0.01 0.00 -1.73 0.00 0.00 68.15 68.60 3k2g h THR 249 CO 0.04 0.42 -0.01 -0.07 -0.25 0.00 0.00 175.52 175.65 3k2g h LEU 250 N 0.23 0.58 -0.95 3.87 3.38 -1.28 -1.72 115.31 119.43 3k2g h LEU 250 Ca 0.03 -0.31 -0.02 0.00 0.09 0.00 0.00 57.88 57.66 3k2g h LEU 250 Cb 0.73 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 41.29 3k2g h LEU 250 CO 0.06 0.76 0.44 0.00 0.09 0.00 0.00 178.44 179.78 3k2g h ALA 251 N 0.85 1.19 -0.70 1.53 0.00 -1.07 -1.97 119.26 119.08 3k2g h ALA 251 Ca 0.09 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 3k2g h ALA 251 Cb 0.46 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 3k2g h ALA 251 CO 0.02 0.64 0.40 0.37 0.00 0.00 0.00 179.25 180.68 3k2g h GLN 252 N 1.18 0.95 0.00 0.00 5.75 -0.72 0.21 115.11 122.49 3k2g h GLN 252 Ca 0.29 -0.09 0.00 0.00 -0.15 0.00 0.00 58.65 58.70 3k2g h GLN 252 Cb 0.06 -0.20 0.00 0.00 1.07 0.00 0.00 27.48 28.42 3k2g h GLN 252 CO -0.04 0.68 0.00 0.54 -2.65 0.00 0.00 178.83 177.36 3k2g n ARG 253 N -4.38 0.14 0.00 1.69 1.74 -0.68 -4.87 116.66 110.30 3k2g n ARG 253 Ca 0.07 0.48 0.00 0.00 -0.77 0.00 0.00 57.85 57.63 3k2g n ARG 253 Cb 0.08 -1.83 0.00 0.00 -1.02 0.00 0.00 32.46 29.69 3k2g n ARG 253 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3k2g n GLY 254 N -0.51 2.25 3.78 -0.13 0.00 0.06 -4.75 105.19 105.89 3k2g n GLY 254 Ca 0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.28 2.55 0.25 4.61 0.00 -1.19 -4.06 121.76 121.64 3k2g s ALA 255 Ca 0.00 0.46 -0.25 0.00 0.00 0.00 0.00 51.96 52.17 3k2g s ALA 255 Cb 0.00 -3.28 -0.09 0.00 0.00 0.00 0.00 23.12 19.75 3k2g s ALA 255 CO 0.00 -1.17 0.85 -0.06 0.00 0.00 0.00 175.76 175.38 3k2g s PHE 256 N -2.45 3.76 -0.37 0.00 0.08 -0.36 -4.39 117.98 114.26 3k2g s PHE 256 Ca 0.65 1.66 -0.10 0.00 0.12 0.00 0.00 56.93 59.26 3k2g s PHE 256 Cb -0.19 -2.81 0.03 0.00 -0.57 0.00 0.00 43.02 39.49 3k2g s PHE 256 CO 0.42 0.34 0.18 -0.51 -0.10 0.00 0.00 175.22 175.55 3k2g s LEU 257 N -1.74 4.63 -0.39 -0.37 1.43 0.17 -1.09 118.68 121.33 3k2g s LEU 257 Ca 0.44 -1.07 -0.15 0.00 -1.03 0.00 0.00 54.13 52.32 3k2g s LEU 257 Cb -0.20 -1.98 0.01 0.00 0.03 0.00 0.00 46.19 44.05 3k2g s LEU 257 CO 0.24 -0.38 0.35 -0.70 0.23 0.00 0.00 176.35 176.09 3k2g s GLU 258 N 1.50 3.23 -1.18 1.70 2.12 -0.14 -1.71 118.70 124.22 3k2g s GLU 258 Ca 0.01 -0.74 -0.10 0.00 0.36 0.00 0.00 54.97 54.50 3k2g s GLU 258 Cb -0.19 -3.91 0.22 0.00 0.26 0.00 0.00 34.13 30.51 3k2g s GLU 258 CO 0.05 -0.68 1.47 1.19 -0.54 0.00 0.00 175.26 176.75 3k2g n PHE 259 N 5.33 4.14 -2.52 5.30 3.72 0.21 -2.78 117.46 130.86 3k2g n PHE 259 Ca -0.10 -3.24 -0.42 0.00 -0.05 0.00 0.00 57.45 53.64 3k2g n PHE 259 Cb 0.48 -1.86 0.01 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 3.77 5.85 0.00 4.37 5.68 -1.26 -2.15 116.55 132.81 3k2g n ASP 260 Ca 0.33 -3.23 0.00 0.00 -0.50 0.00 0.00 54.79 51.38 3k2g n ASP 260 Cb 0.39 -1.39 0.00 0.00 -1.14 0.00 0.00 41.12 38.98 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 2.42 0.00 -1.21 2.12 2.08 -0.56 -1.06 119.36 123.14 3k2g n ILE 262 Ca 0.38 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.69 3k2g n ILE 262 Cb 0.34 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.23 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 0.74 -0.08 0.00 7.39 0.00 -1.26 -4.53 105.19 107.46 3k2g n GLY 263 Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.81 0.00 -4.74 1.61 5.75 -1.26 -4.94 116.55 112.16 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 0.40 0.00 0.11 0.00 -1.03 0.00 0.00 41.12 40.61 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 2.38 -0.29 2.11 0.08 -1.26 -4.62 117.98 116.38 3k2g s PHE 266 Ca 0.00 1.51 -0.04 0.00 0.12 0.00 0.00 56.93 58.52 3k2g s PHE 266 Cb 0.00 -3.11 0.03 0.00 -0.57 0.00 0.00 43.02 39.37 3k2g s PHE 266 CO 0.00 -2.10 0.02 0.12 -0.10 0.00 0.00 175.22 173.16 3k2g s PHE 267 N -2.87 3.16 -0.90 0.36 5.36 -0.81 -2.06 117.98 120.22 3k2g s PHE 267 Ca 0.62 -1.44 -0.22 0.00 -0.96 0.00 0.00 56.93 54.93 3k2g s PHE 267 Cb -0.18 -2.16 0.07 0.00 -0.34 0.00 0.00 43.02 40.41 3k2g s PHE 267 CO 0.57 -0.70 1.27 0.71 -1.46 0.00 0.00 175.22 175.60 3k2g s TYR 268 N 1.37 2.66 0.23 10.12 2.02 -0.38 -3.38 117.35 129.99 3k2g s TYR 268 Ca -0.01 -0.82 -0.06 0.00 -0.37 0.00 0.00 57.07 55.81 3k2g s TYR 268 Cb -0.18 -4.52 0.38 0.00 -0.40 0.00 0.00 41.96 37.24 3k2g s TYR 268 CO -0.01 -1.80 1.73 0.00 -1.57 0.00 0.00 175.55 173.90 3k2g h ALA 269 N 9.55 0.94 -0.78 3.71 0.00 -1.84 0.22 119.26 131.06 3k2g h ALA 269 Ca 0.04 0.11 0.15 0.00 0.00 0.00 0.00 54.91 55.21 3k2g h ALA 269 Cb 1.03 0.09 -0.10 0.00 0.00 0.00 0.00 17.79 18.81 3k2g h ALA 269 CO 1.28 -0.21 0.32 0.38 0.00 0.00 0.00 179.25 181.02 3k2g h ASP 270 N 0.42 0.29 0.05 0.00 3.04 -1.92 -2.31 116.42 115.99 3k2g h ASP 270 Ca 0.37 0.11 0.00 0.00 -3.24 0.00 0.00 57.03 54.27 3k2g h ASP 270 Cb 0.53 0.09 0.00 0.00 -1.04 0.00 0.00 39.33 38.91 3k2g h ASP 270 CO -0.37 0.10 -0.85 0.00 -2.04 0.00 0.00 179.24 176.07 3k2g n GLN 271 N -5.00 0.22 -2.71 4.15 1.13 -0.90 -4.99 117.38 109.29 3k2g n GLN 271 Ca 0.15 -0.18 -0.16 0.00 -1.94 0.00 0.00 57.00 54.87 3k2g n GLN 271 Cb 0.44 -1.50 0.02 0.00 0.11 0.00 0.00 30.24 29.32 3k2g n GLN 271 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3k2g n GLY 272 N 1.48 -0.19 3.41 1.08 0.00 0.71 -5.02 105.19 106.67 3k2g n GLY 272 Ca 0.05 -0.16 -0.28 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.95 2.34 -0.10 1.61 -7.23 -1.10 -5.00 120.40 107.97 3k2g s VAL 273 Ca 0.18 -1.86 0.02 0.00 -1.81 0.00 0.00 61.98 58.51 3k2g s VAL 273 Cb -0.08 -2.07 -0.02 0.00 0.56 0.00 0.00 36.38 34.77 3k2g s VAL 273 CO 0.22 0.00 -0.15 -1.58 -0.31 0.00 0.00 175.10 173.28 3k2g s GLN 274 N -2.32 3.05 0.21 4.82 2.00 -1.26 -1.26 119.66 124.90 3k2g s GLN 274 Ca 0.17 -0.72 -0.30 0.00 -2.00 0.00 0.00 55.36 52.51 3k2g s GLN 274 Cb -0.09 -2.50 -0.08 0.00 0.80 0.00 0.00 33.01 31.14 3k2g s GLN 274 CO 0.08 0.34 1.16 0.00 -0.50 0.00 0.00 175.29 176.36 3k2g s PRO 276 N -0.60 1.99 0.61 0.00 0.04 -1.26 -4.79 135.00 131.00 3k2g s PRO 276 Ca 0.50 0.74 -0.10 0.00 0.04 0.00 0.00 61.00 62.18 3k2g s PRO 276 Cb -0.32 -1.90 -0.03 0.00 0.04 0.00 0.00 34.50 32.29 3k2g s PRO 276 CO 0.38 -1.71 1.00 -1.54 0.04 0.00 0.00 177.00 175.17 3k2g s SER 277 N -3.76 6.04 0.34 6.66 1.04 -1.26 -4.75 113.70 118.00 3k2g s SER 277 Ca 0.61 1.24 0.06 0.00 0.48 0.00 0.00 55.95 58.34 3k2g s SER 277 Cb -0.15 -2.28 0.61 0.00 0.10 0.00 0.00 66.02 64.30 3k2g s SER 277 CO 0.55 -0.93 1.83 0.44 0.98 0.00 0.00 173.24 176.10 3k2g h ASP 278 N -0.29 0.33 -0.45 7.02 3.32 -1.98 -1.99 116.42 122.38 3k2g h ASP 278 Ca -0.45 -0.09 -0.04 0.00 0.02 0.00 0.00 57.03 56.48 3k2g h ASP 278 Cb 1.21 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 40.65 3k2g h ASP 278 CO 0.62 0.54 0.14 0.44 -1.72 0.00 0.00 179.24 179.26 3k2g h ASP 279 N 0.32 0.65 -0.88 6.45 3.32 -1.98 0.25 116.42 124.55 3k2g h ASP 279 Ca 0.06 -0.20 -0.02 0.00 0.02 0.00 0.00 57.03 56.88 3k2g h ASP 279 Cb 0.51 -0.17 -0.04 0.00 0.22 0.00 0.00 39.33 39.85 3k2g h ASP 279 CO 0.03 0.68 0.46 -0.33 -1.72 0.00 0.00 179.24 178.36 3k2g h GLU 280 N 0.59 1.24 -0.27 3.56 5.08 -1.87 -0.93 114.58 121.98 3k2g h GLU 280 Ca 0.14 -0.16 -0.15 0.00 -1.00 0.00 0.00 59.36 58.20 3k2g h GLU 280 Cb 0.26 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 3k2g h GLU 280 CO -0.01 0.92 -0.44 0.28 -1.00 0.00 0.00 179.01 178.77 3k2g h VAL 281 N 1.24 1.30 -0.69 3.13 2.07 -1.03 -2.40 116.25 119.86 3k2g h VAL 281 Ca 0.31 -1.63 -0.03 0.00 0.82 0.00 0.00 66.70 66.16 3k2g h VAL 281 Cb 0.06 1.56 -0.03 0.00 -1.52 0.00 0.00 31.29 31.36 3k2g h VAL 281 CO -0.04 0.52 0.31 0.00 0.02 0.00 0.00 177.57 178.37 3k2g h ALA 282 N 0.96 0.89 -0.72 1.67 0.00 -0.00 -0.53 119.26 121.52 3k2g h ALA 282 Ca 0.04 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 3k2g h ALA 282 Cb 0.98 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 3k2g h ALA 282 CO 0.09 0.48 0.33 0.00 0.00 0.00 0.00 179.25 180.15 3k2g h ARG 283 N 0.96 1.05 -0.51 0.00 3.08 -1.08 -0.73 114.38 117.16 3k2g h ARG 283 Ca 0.23 -0.17 -0.01 0.00 0.07 0.00 0.00 59.98 60.11 3k2g h ARG 283 Cb 0.16 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.00 3k2g h ARG 283 CO -0.03 0.84 0.29 0.00 -1.07 0.00 0.00 179.97 180.00 3k2g h ALA 284 N 1.16 0.65 -0.60 0.04 0.00 -0.93 -1.03 119.26 118.54 3k2g h ALA 284 Ca 0.25 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 3k2g h ALA 284 Cb 0.15 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 3k2g h ALA 284 CO -0.03 0.16 0.33 0.82 0.00 0.00 0.00 179.25 180.54 3k2g h ILE 285 N 0.68 1.19 -0.81 0.00 2.04 -0.73 -1.50 117.51 118.38 3k2g h ILE 285 Ca 0.18 -0.47 -0.00 0.00 1.00 0.00 0.00 64.86 65.56 3k2g h ILE 285 Cb 0.03 0.42 -0.04 0.00 -0.74 0.00 0.00 36.82 36.49 3k2g h ILE 285 CO -0.03 0.21 0.48 0.25 0.00 0.00 0.00 178.15 179.06 3k2g h LEU 286 N 0.81 0.97 -0.27 1.44 5.85 -0.82 -1.51 115.31 121.78 3k2g h LEU 286 Ca 0.21 -0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.87 3k2g h LEU 286 Cb 0.03 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 40.81 3k2g h LEU 286 CO -0.03 0.75 0.17 1.23 -0.34 0.00 0.00 178.44 180.22 3k2g h GLY 287 N 1.10 0.38 1.02 3.75 0.00 -0.66 0.35 103.07 109.00 3k2g h GLY 287 Ca 0.29 -0.15 -0.00 0.00 0.00 0.00 0.00 47.33 47.47 3k2g h GLY 287 CO -0.05 0.14 0.54 1.41 0.00 0.00 0.00 176.54 178.58 3k2g h LEU 288 N 0.35 1.06 -0.81 3.11 3.38 -1.00 -2.11 115.31 119.29 3k2g h LEU 288 Ca 0.10 -0.06 -0.08 0.00 0.09 0.00 0.00 57.88 57.92 3k2g h LEU 288 Cb -0.02 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.44 3k2g h LEU 288 CO -0.02 0.81 -0.02 0.00 0.09 0.00 0.00 178.44 179.30 3k2g h ALA 289 N 1.30 1.00 0.00 1.53 0.00 -0.93 -0.61 119.26 121.55 3k2g h ALA 289 Ca 0.32 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 3k2g h ALA 289 Cb -0.06 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.52 3k2g h ALA 289 CO -0.06 0.61 -0.15 -0.44 0.00 0.00 0.00 179.25 179.21 3k2g h ASP 290 N 0.80 0.00 -0.39 0.00 3.32 -0.30 -0.98 116.42 118.87 3k2g h ASP 290 Ca 0.15 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.20 3k2g h ASP 290 Cb 0.51 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.06 3k2g h ASP 290 CO 0.03 0.15 0.00 1.41 -1.72 0.00 0.00 179.24 179.11 3k2g n HIS 291 N -4.09 0.52 -0.72 4.55 8.25 -0.88 -4.93 115.22 117.91 3k2g n HIS 291 Ca -0.02 -0.26 0.00 0.00 -0.26 0.00 0.00 57.72 57.18 3k2g n HIS 291 Cb 0.23 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.34 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 1.24 0.58 1.60 -1.41 0.00 -0.37 -4.98 105.19 101.86 3k2g n GLY 292 Ca 0.16 -0.52 -0.01 0.00 0.00 0.00 0.00 46.02 45.66 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 1.87 -0.16 1.61 4.01 -0.28 -4.66 117.16 116.82 3k2g n TYR 293 Ca 0.00 -1.13 0.08 0.00 -0.16 0.00 0.00 57.90 56.69 3k2g n TYR 293 Cb 0.00 -0.55 0.39 0.00 -0.31 0.00 0.00 39.34 38.87 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 2.35 0.59 0.00 7.72 5.85 -1.80 -1.97 115.31 128.04 3k2g h LEU 294 Ca 0.17 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.90 3k2g h LEU 294 Cb 2.00 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 42.91 3k2g h LEU 294 CO 0.54 0.37 0.00 -0.90 -0.34 0.00 0.00 178.44 178.11 3k2g n ASP 295 N -4.48 0.00 -0.32 1.25 5.68 -1.26 -2.48 116.55 114.93 3k2g n ASP 295 Ca 0.11 -1.14 0.04 0.00 -0.50 0.00 0.00 54.79 53.30 3k2g n ASP 295 Cb 0.28 0.00 0.03 0.00 -1.14 0.00 0.00 41.12 40.29 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 -0.68 0.38 -3.38 0.11 5.12 -0.74 -4.90 116.66 112.57 3k2g n ARG 296 Ca 0.06 -0.95 -0.38 0.00 -1.93 0.00 0.00 57.85 54.65 3k2g n ARG 296 Cb 0.03 -1.15 -0.07 0.00 -1.16 0.00 0.00 32.46 30.12 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 -0.75 5.21 0.10 0.55 1.01 -1.03 0.43 121.20 126.71 3k2g s ILE 297 Ca 0.09 0.79 0.09 0.00 0.00 0.00 0.00 60.65 61.63 3k2g s ILE 297 Cb 0.07 -3.75 -0.03 0.00 0.01 0.00 0.00 42.46 38.75 3k2g s ILE 297 CO 0.12 0.31 -0.24 -0.76 0.00 0.00 0.00 174.94 174.36 3k2g s LEU 298 N 0.87 2.27 0.06 2.97 1.43 -0.70 -4.80 118.68 120.79 3k2g s LEU 298 Ca 0.22 -0.68 0.07 0.00 -1.03 0.00 0.00 54.13 52.71 3k2g s LEU 298 Cb -0.14 -1.07 -0.03 0.00 0.03 0.00 0.00 46.19 44.98 3k2g s LEU 298 CO 0.08 0.14 -0.18 -0.76 0.23 0.00 0.00 176.35 175.86 3k2g s LEU 299 N -1.78 2.22 0.08 1.79 1.43 -1.26 -0.62 118.68 120.54 3k2g s LEU 299 Ca 0.10 -0.57 -0.26 0.00 -1.03 0.00 0.00 54.13 52.37 3k2g s LEU 299 Cb -0.10 -0.80 0.09 0.00 0.03 0.00 0.00 46.19 45.41 3k2g s LEU 299 CO 0.04 0.07 1.16 -0.55 0.23 0.00 0.00 176.35 177.30 3k2g s SER 300 N -1.46 -0.02 -0.03 2.29 0.15 -0.91 -4.71 113.70 109.01 3k2g s SER 300 Ca 0.05 -0.41 0.14 0.00 0.70 0.00 0.00 55.95 56.43 3k2g s SER 300 Cb -0.09 0.32 -0.22 0.00 -1.71 0.00 0.00 66.02 64.32 3k2g s SER 300 CO 0.02 -0.64 0.29 1.41 1.20 0.00 0.00 173.24 175.53 3k2g n HIS 301 N -0.73 0.00 -3.72 3.44 -0.00 -1.17 -1.50 115.22 111.54 3k2g n HIS 301 Ca -0.02 0.00 -0.24 0.00 -0.00 0.00 0.00 57.72 57.46 3k2g n HIS 301 Cb 0.60 -0.37 0.05 0.00 -0.00 0.00 0.00 29.99 30.27 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 -2.06 -3.32 -4.68 0.41 2.03 -0.22 -4.52 116.55 104.19 3k2g n ASP 302 Ca -0.05 -0.74 -0.47 0.00 0.52 0.00 0.00 54.79 54.06 3k2g n ASP 302 Cb 0.44 -4.29 -0.04 0.00 -0.72 0.00 0.00 41.12 36.50 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 -4.51 0.43 -1.33 5.18 0.31 -1.26 -4.76 118.33 112.39 3k2g n VAL 303 Ca -0.14 -0.08 0.00 0.00 -0.01 0.00 0.00 64.34 64.12 3k2g n VAL 303 Cb 0.61 -1.86 0.00 0.00 -0.91 0.00 0.00 33.84 31.68 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 5.83 0.00 -4.09 3.52 1.16 -1.26 -1.85 117.46 120.76 3k2g n PHE 304 Ca 0.21 0.00 -0.09 0.00 -1.87 0.00 0.00 57.45 55.70 3k2g n PHE 304 Cb 0.31 0.02 -0.10 0.00 -1.61 0.00 0.00 39.48 38.09 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 0.34 -0.68 1.97 -7.23 -1.26 -4.66 120.40 108.89 3k2g s VAL 305 Ca 0.00 -1.66 -0.25 0.00 -1.81 0.00 0.00 61.98 58.26 3k2g s VAL 305 Cb 0.00 -1.31 -0.13 0.00 0.56 0.00 0.00 36.38 35.50 3k2g s VAL 305 CO 0.00 -0.85 2.43 0.29 -0.31 0.00 0.00 175.10 176.66 3k2g n LYS 306 N 0.38 0.69 0.00 4.82 5.02 0.01 -4.97 118.16 124.11 3k2g n LYS 306 Ca -0.16 -0.27 0.00 0.00 -2.02 0.00 0.00 58.31 55.86 3k2g n LYS 306 Cb 0.60 -3.13 0.00 0.00 -0.02 0.00 0.00 35.03 32.48 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 15.47 0.00 0.06 -0.35 4.77 -1.26 -4.54 117.00 131.15 3k2g n LEU 309 Ca 0.46 0.00 0.03 0.00 -0.03 0.00 0.00 56.01 56.47 3k2g n LEU 309 Cb 0.42 0.02 0.42 0.00 -2.33 0.00 0.00 43.42 41.96 3k2g n LEU 309 CO 0.71 0.00 1.05 0.71 -1.33 0.00 0.00 177.39 178.53 3k2g h THR 310 N 0.00 1.12 -0.72 -5.08 1.35 -1.84 0.17 112.91 107.92 3k2g h THR 310 Ca 0.00 -0.41 0.16 0.00 -0.55 0.00 0.00 66.41 65.60 3k2g h THR 310 Cb 0.00 0.81 -0.04 0.00 -1.73 0.00 0.00 68.15 67.19 3k2g h THR 310 CO 0.00 0.15 0.49 -0.09 -0.25 0.00 0.00 175.52 175.82 3k2g h ARG 311 N 0.40 0.30 -0.46 4.72 9.65 -1.91 -0.72 114.38 126.35 3k2g h ARG 311 Ca 0.10 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.96 3k2g h ARG 311 Cb 0.12 -0.07 0.00 0.00 -1.39 0.00 0.00 29.97 28.63 3k2g h ARG 311 CO -0.01 0.20 0.00 0.66 2.80 0.00 0.00 179.97 183.62 3k2g n TYR 312 N -4.45 1.46 -0.30 2.20 4.01 -0.75 -4.92 117.16 114.40 3k2g n TYR 312 Ca 0.14 -0.74 0.00 0.00 -0.16 0.00 0.00 57.90 57.13 3k2g n TYR 312 Cb 0.57 -0.36 0.00 0.00 -0.31 0.00 0.00 39.34 39.24 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 0.31 0.70 0.92 2.72 0.00 -0.28 -4.93 105.19 104.64 3k2g n GLY 313 Ca 0.24 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.20 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 -2.07 -0.09 0.15 -0.02 0.00 0.52 -4.93 105.19 98.76 3k2g n GLY 314 Ca 0.00 -1.85 0.10 0.00 0.00 0.00 0.00 46.02 44.27 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 -0.26 0.00 -1.06 1.61 -0.26 -1.93 -3.26 115.58 110.43 3k2g h ASN 315 Ca -0.09 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.65 3k2g h ASN 315 Cb 0.29 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.55 3k2g h ASN 315 CO 0.08 0.06 0.00 0.61 -1.06 0.00 0.00 177.43 177.12 3k2g n GLY 316 N 1.17 -1.47 0.71 2.83 0.00 -1.26 -3.76 105.19 103.41 3k2g n GLY 316 Ca 0.01 -1.30 0.11 0.00 0.00 0.00 0.00 46.02 44.84 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 -0.06 0.00 0.74 1.61 4.01 -1.26 -4.31 117.16 117.88 3k2g n TYR 317 Ca 0.00 0.00 0.09 0.00 -0.16 0.00 0.00 57.90 57.83 3k2g n TYR 317 Cb 0.00 0.00 0.04 0.00 -0.31 0.00 0.00 39.34 39.07 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 0.70 2.77 -0.04 -0.72 0.00 -1.26 -4.64 120.51 117.33 3k2g n ALA 318 Ca 0.11 -0.60 -0.10 0.00 0.00 0.00 0.00 53.44 52.85 3k2g n ALA 318 Cb 0.51 -0.59 -0.03 0.00 0.00 0.00 0.00 19.45 19.34 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 2.80 0.19 -0.21 0.00 3.57 -1.75 -0.52 116.94 121.01 3k2g h PHE 319 Ca 0.00 0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.56 3k2g h PHE 319 Cb 0.66 -0.06 -0.06 0.00 2.79 0.00 0.00 35.95 39.29 3k2g h PHE 319 CO 0.00 0.11 -0.18 0.28 -2.23 0.00 0.00 178.31 176.29 3k2g h VAL 320 N 0.21 0.52 -0.06 1.41 2.07 -1.90 0.38 116.25 118.88 3k2g h VAL 320 Ca 0.07 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.59 3k2g h VAL 320 Cb 0.01 0.52 -0.00 0.00 -1.52 0.00 0.00 31.29 30.29 3k2g h VAL 320 CO -0.04 0.00 0.02 0.74 0.02 0.00 0.00 177.57 178.30 3k2g h THR 321 N -0.18 1.19 -0.15 2.57 2.02 -1.84 -1.50 112.91 115.02 3k2g h THR 321 Ca 0.13 -0.56 -0.22 0.00 0.77 0.00 0.00 66.41 66.53 3k2g h THR 321 Cb 0.37 1.44 0.01 0.00 -1.74 0.00 0.00 68.15 68.23 3k2g h THR 321 CO -0.32 0.16 -0.77 0.11 0.37 0.00 0.00 175.52 175.07 3k2g h LYS 322 N -0.11 0.74 0.00 6.66 1.57 -0.89 -3.38 116.57 121.16 3k2g h LYS 322 Ca 0.02 -0.60 -0.08 0.00 -1.87 0.00 0.00 60.65 58.11 3k2g h LYS 322 Cb 0.23 0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.65 3k2g h LYS 322 CO -0.00 1.21 -1.31 0.72 -0.57 0.00 0.00 179.45 179.51 3k2g n HIS 323 N -3.92 0.00 0.10 -1.35 8.25 0.13 -4.60 115.22 113.83 3k2g n HIS 323 Ca -0.07 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.19 3k2g n HIS 323 Cb 0.74 -0.22 -0.12 0.00 1.12 0.00 0.00 29.99 31.51 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 0.82 -0.76 4.41 3.57 -1.04 -2.96 116.94 120.98 3k2g h PHE 324 Ca -0.12 -0.54 0.03 0.00 3.53 0.00 0.00 57.97 60.86 3k2g h PHE 324 Cb 1.25 -0.06 -0.04 0.00 2.79 0.00 0.00 35.95 39.89 3k2g h PHE 324 CO 0.00 1.40 0.49 -0.07 -2.23 0.00 0.00 178.31 177.90 3k2g h LEU 325 N 0.20 0.82 -1.19 0.59 3.38 -1.47 -0.08 115.31 117.55 3k2g h LEU 325 Ca -0.17 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.76 3k2g h LEU 325 Cb 1.93 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 42.47 3k2g h LEU 325 CO 0.23 0.57 0.17 -0.65 0.09 0.00 0.00 178.44 178.85 3k2g h PRO 326 N 0.97 0.74 -0.69 1.13 0.11 -1.81 -0.81 132.00 131.64 3k2g h PRO 326 Ca 0.30 -0.12 -0.03 0.00 0.11 0.00 0.00 66.00 66.27 3k2g h PRO 326 Cb -0.02 -0.13 -0.03 0.00 0.11 0.00 0.00 31.00 30.93 3k2g h PRO 326 CO -0.10 0.63 0.33 -0.09 -0.21 0.00 0.00 178.00 178.56 3k2g h ARG 327 N 0.72 0.99 -0.21 1.05 2.43 -0.99 0.68 114.38 119.05 3k2g h ARG 327 Ca 0.17 -0.15 -0.06 0.00 -0.81 0.00 0.00 59.98 59.13 3k2g h ARG 327 Cb 0.19 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.55 3k2g h ARG 327 CO -0.01 0.78 -0.15 -0.07 -1.51 0.00 0.00 179.97 179.01 3k2g h LEU 328 N 0.96 0.34 -0.63 3.80 3.38 -0.49 -0.80 115.31 121.86 3k2g h LEU 328 Ca 0.24 -0.08 -0.10 0.00 0.09 0.00 0.00 57.88 58.03 3k2g h LEU 328 Cb 0.12 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 3k2g h LEU 328 CO -0.03 0.52 0.01 -0.09 0.09 0.00 0.00 178.44 178.93 3k2g h ARG 329 N 0.33 1.08 0.00 1.13 2.43 -0.08 -1.45 114.38 117.81 3k2g h ARG 329 Ca 0.06 -0.34 -0.05 0.00 -0.81 0.00 0.00 59.98 58.84 3k2g h ARG 329 Cb 0.46 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.91 3k2g h ARG 329 CO 0.03 1.05 -0.25 0.00 -1.51 0.00 0.00 179.97 179.29 3k2g h ARG 330 N 0.99 0.00 -0.00 0.20 3.08 0.24 -2.07 114.38 116.82 3k2g h ARG 330 Ca 0.18 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.23 3k2g h ARG 330 Cb 0.56 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.61 3k2g h ARG 330 CO 0.03 0.25 -0.11 0.72 -1.07 0.00 0.00 179.97 179.79 3k2g n HIS 331 N -4.04 0.00 0.00 3.04 8.25 -0.42 -4.93 115.22 117.12 3k2g n HIS 331 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.44 3k2g n HIS 331 Cb 0.32 -0.30 0.00 0.00 1.12 0.00 0.00 29.99 31.13 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 1.37 1.76 3.74 -1.41 0.00 -0.78 -5.06 105.19 104.81 3k2g n GLY 332 Ca 0.11 0.00 -0.41 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 4.44 0.83 0.99 1.43 -0.62 -4.98 118.68 120.76 3k2g s LEU 333 Ca 0.00 2.23 -0.08 0.00 -1.03 0.00 0.00 54.13 55.26 3k2g s LEU 333 Cb 0.00 -3.60 0.16 0.00 0.03 0.00 0.00 46.19 42.77 3k2g s LEU 333 CO 0.00 -0.39 1.14 1.51 0.23 0.00 0.00 176.35 178.84 3k2g s ASP 334 N 0.21 3.79 0.40 2.29 1.47 -1.26 -4.13 116.67 119.43 3k2g s ASP 334 Ca 0.54 -0.08 0.07 0.00 1.18 0.00 0.00 52.55 54.25 3k2g s ASP 334 Cb -0.33 -0.15 0.81 0.00 -0.34 0.00 0.00 42.92 42.92 3k2g s ASP 334 CO 0.36 -2.26 2.03 0.44 0.68 0.00 0.00 175.17 176.42 3k2g h ASP 335 N -1.03 0.47 -0.57 2.11 3.32 -1.99 -1.91 116.42 116.82 3k2g h ASP 335 Ca -0.40 -0.03 -0.02 0.00 0.02 0.00 0.00 57.03 56.61 3k2g h ASP 335 Cb 1.25 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 40.66 3k2g h ASP 335 CO 0.39 0.38 0.29 0.00 -1.72 0.00 0.00 179.24 178.58 3k2g h ALA 336 N 1.70 0.74 -0.52 3.45 0.00 -1.99 -1.43 119.26 121.20 3k2g h ALA 336 Ca 0.14 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 3k2g h ALA 336 Cb 0.01 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 3k2g h ALA 336 CO -0.02 0.28 0.05 0.00 0.00 0.00 0.00 179.25 179.55 3k2g h ALA 337 N 1.12 1.10 -0.28 0.00 0.00 -1.73 -0.97 119.26 118.51 3k2g h ALA 337 Ca 0.20 -0.25 -0.10 0.00 0.00 0.00 0.00 54.91 54.76 3k2g h ALA 337 Cb 0.09 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3k2g h ALA 337 CO -0.03 0.58 -0.25 -0.07 0.00 0.00 0.00 179.25 179.48 3k2g h LEU 338 N 0.80 0.54 -0.56 0.00 3.38 -1.02 -0.63 115.31 117.82 3k2g h LEU 338 Ca 0.16 -0.19 -0.12 0.00 0.09 0.00 0.00 57.88 57.82 3k2g h LEU 338 Cb 0.41 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 3k2g h LEU 338 CO 0.01 0.78 -0.15 -0.08 0.09 0.00 0.00 178.44 179.09 3k2g h GLU 339 N 0.47 1.00 -0.51 1.13 4.57 -0.90 -2.91 114.58 117.43 3k2g h GLU 339 Ca 0.07 -0.39 -0.02 0.00 -1.18 0.00 0.00 59.36 57.84 3k2g h GLU 339 Cb 0.68 -0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 29.20 3k2g h GLU 339 CO 0.05 1.07 0.25 1.15 -1.18 0.00 0.00 179.01 180.35 3k2g h THR 340 N 0.88 1.19 0.00 0.32 2.02 -0.69 -0.90 112.91 115.73 3k2g h THR 340 Ca 0.13 -0.54 0.00 0.00 0.77 0.00 0.00 66.41 66.76 3k2g h THR 340 Cb 0.72 0.62 0.00 0.00 -1.74 0.00 0.00 68.15 67.75 3k2g h THR 340 CO 0.06 0.22 0.00 0.18 0.37 0.00 0.00 175.52 176.34 3k2g n LEU 341 N -4.60 0.00 0.00 2.58 4.77 -0.29 -0.09 117.00 119.37 3k2g n LEU 341 Ca 0.02 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 3k2g n LEU 341 Cb 0.12 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 3k2g n LEU 341 CO 0.37 0.00 0.00 0.52 -1.33 0.00 0.00 177.39 176.95 3k2g n VAL 343 N -0.51 0.00 -0.06 4.08 0.31 -0.38 -4.47 118.33 117.31 3k2g n VAL 343 Ca 0.00 0.00 -0.10 0.00 -0.01 0.00 0.00 64.34 64.23 3k2g n VAL 343 Cb 0.00 0.00 -0.04 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 1.13 -0.14 2.52 2.02 -1.34 -2.43 112.91 114.68 3k2g h THR 344 Ca 0.00 -0.38 -0.01 0.00 0.77 0.00 0.00 66.41 66.80 3k2g h THR 344 Cb 0.00 1.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.40 3k2g h THR 344 CO 0.00 0.13 0.06 0.78 0.37 0.00 0.00 175.52 176.86 3k2g h ASN 345 N 0.21 0.18 -0.99 4.18 2.35 -0.74 0.31 115.58 121.09 3k2g h ASN 345 Ca 0.07 -0.15 0.11 0.00 -0.55 0.00 0.00 56.30 55.78 3k2g h ASN 345 Cb 0.11 -0.05 -0.08 0.00 0.05 0.00 0.00 38.32 38.36 3k2g h ASN 345 CO -0.01 0.28 0.63 -0.65 -1.65 0.00 0.00 177.43 176.04 3k2g h PRO 346 N 0.07 0.99 -0.62 0.81 0.11 -1.77 0.11 132.00 131.69 3k2g h PRO 346 Ca 0.05 -0.06 -0.07 0.00 0.11 0.00 0.00 66.00 66.02 3k2g h PRO 346 Cb 0.16 -0.22 -0.03 0.00 0.11 0.00 0.00 31.00 31.02 3k2g h PRO 346 CO -0.00 0.65 0.10 -0.09 -0.21 0.00 0.00 178.00 178.45 3k2g h ARG 347 N 1.02 1.01 -0.16 1.05 2.43 -0.94 -2.29 114.38 116.49 3k2g h ARG 347 Ca 0.47 -0.25 -0.01 0.00 -0.81 0.00 0.00 59.98 59.38 3k2g h ARG 347 Cb 0.42 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.83 3k2g h ARG 347 CO -0.23 0.93 0.04 0.00 -1.51 0.00 0.00 179.97 179.19 3k2g h ARG 348 N 0.95 0.22 -0.66 0.20 3.08 0.13 0.28 114.38 118.58 3k2g h ARG 348 Ca 0.19 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.22 3k2g h ARG 348 Cb 0.41 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.38 3k2g h ARG 348 CO 0.01 0.22 0.41 0.28 -1.07 0.00 0.00 179.97 179.82 3k2g h VAL 349 N 0.22 1.19 0.00 2.04 2.07 -0.57 -3.21 116.25 117.98 3k2g h VAL 349 Ca 0.06 -0.39 0.00 0.00 0.82 0.00 0.00 66.70 67.19 3k2g h VAL 349 Cb 0.10 0.25 0.00 0.00 -1.52 0.00 0.00 31.29 30.12 3k2g h VAL 349 CO -0.00 0.19 -1.27 0.49 0.02 0.00 0.00 177.57 176.99 3k2g n PHE 350 N -4.59 0.41 -3.93 1.57 3.72 -0.80 -4.69 117.46 109.15 3k2g n PHE 350 Ca 0.05 0.12 -0.30 0.00 -0.05 0.00 0.00 57.45 57.27 3k2g n PHE 350 Cb 0.04 -0.61 -0.16 0.00 -0.94 0.00 0.00 39.48 37.82 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 -4.51 3.75 0.04 4.37 -1.08 0.93 -4.09 116.67 116.09 3k2g s ASP 351 Ca -0.01 -1.13 0.17 0.00 -0.52 0.00 0.00 52.55 51.06 3k2g s ASP 351 Cb 0.13 -1.14 0.71 0.00 -1.46 0.00 0.00 42.92 41.16 3k2g s ASP 351 CO 0.83 -0.23 1.53 0.00 0.52 0.00 0.00 175.17 177.81 3k2g n ALA 352 N 4.70 1.71 1.02 3.66 0.00 0.18 -2.96 120.51 128.82 3k2g n ALA 352 Ca -0.12 -0.03 0.14 0.00 0.00 0.00 0.00 53.44 53.42 3k2g n ALA 352 Cb 0.44 -1.27 0.54 0.00 0.00 0.00 0.00 19.45 19.16 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 -1.62 0.12 -4.68 0.00 3.41 -1.26 -4.82 113.62 104.77 3k2g n SER 353 Ca 0.03 0.30 -0.42 0.00 -0.26 0.00 0.00 58.87 58.52 3k2g n SER 353 Cb 0.19 -0.32 -0.03 0.00 -0.26 0.00 0.00 64.21 63.79 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 -2.98 4.12 0.74 -1.33 -1.09 -1.15 -4.99 121.20 114.52 3k2g s ILE 354 Ca 0.14 1.44 -0.15 0.00 -2.23 0.00 0.00 60.65 59.84 3k2g s ILE 354 Cb 0.19 -3.92 0.03 0.00 -1.58 0.00 0.00 42.46 37.17 3k2g s ILE 354 CO 0.56 -0.04 1.13 -0.62 -1.23 0.00 0.00 174.94 174.74 3k2g n GLU 355 N 5.71 0.52 0.00 2.79 4.71 -1.26 -5.01 120.64 128.11 3k2g n GLU 355 Ca 0.12 0.24 0.14 0.00 -0.01 0.00 0.00 57.16 57.66 3k2g n GLU 355 Cb 0.45 -2.37 0.60 0.00 -1.01 0.00 0.00 31.44 29.11 3k2g n GLU 355 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63