#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3khj n LYS 4 N 0.00 0.37 -2.46 1.09 4.81 -1.26 -4.84 118.16 115.88 3khj n LYS 4 Ca 0.00 -0.22 -0.43 0.00 -0.87 0.00 0.00 58.31 56.79 3khj n LYS 4 Cb 0.00 -1.50 -0.02 0.00 0.02 0.00 0.00 35.03 33.53 3khj n LYS 4 CO 0.00 0.00 0.00 1.21 1.17 0.00 0.00 177.40 179.78 3khj s ASN 5 N -2.77 6.77 0.06 3.14 3.84 -1.26 -4.91 114.94 119.80 3khj s ASN 5 Ca 0.17 1.28 0.23 0.00 0.21 0.00 0.00 52.86 54.74 3khj s ASN 5 Cb 0.18 -2.54 -0.01 0.00 -0.55 0.00 0.00 41.25 38.33 3khj s ASN 5 CO 0.62 -0.98 0.96 0.00 -2.79 0.00 0.00 177.10 174.90 3khj n ILE 6 N 5.99 0.22 -0.58 -5.21 0.13 -1.26 -5.06 119.36 113.58 3khj n ILE 6 Ca 0.14 -0.32 0.00 0.00 -1.10 0.00 0.00 62.75 61.47 3khj n ILE 6 Cb 0.46 0.11 0.00 0.00 -0.84 0.00 0.00 39.64 39.37 3khj n ILE 6 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 3khj n GLY 7 N 1.33 -0.74 3.54 4.50 0.00 -1.26 -5.08 105.19 107.48 3khj n GLY 7 Ca 0.01 -1.62 -0.41 0.00 0.00 0.00 0.00 46.02 44.00 3khj n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3khj s LYS 8 N -1.65 3.53 0.21 1.61 1.02 -1.26 -5.06 119.74 118.14 3khj s LYS 8 Ca 0.00 -0.37 -0.30 0.00 0.02 0.00 0.00 55.97 55.32 3khj s LYS 8 Cb 0.00 -3.82 -0.08 0.00 -0.52 0.00 0.00 37.83 33.40 3khj s LYS 8 CO 0.00 -0.60 0.96 0.20 -0.92 0.00 0.00 175.35 174.99 3khj s GLY 9 N 1.75 3.09 -0.08 -3.33 0.00 -1.26 -5.02 107.32 102.48 3khj s GLY 9 Ca 0.14 0.63 0.05 0.00 0.00 0.00 0.00 44.72 45.53 3khj s GLY 9 CO 0.12 1.27 -0.22 1.08 0.00 0.00 0.00 173.10 175.35 3khj s LEU 10 N -0.91 2.22 0.57 0.66 1.43 -1.26 -4.91 118.68 116.47 3khj s LEU 10 Ca 0.43 -0.47 0.09 0.00 -1.03 0.00 0.00 54.13 53.14 3khj s LEU 10 Cb -0.26 -1.43 0.07 0.00 0.03 0.00 0.00 46.19 44.61 3khj s LEU 10 CO 0.32 0.23 0.70 0.28 0.23 0.00 0.00 176.35 178.10 3khj s THR 11 N -0.04 2.03 0.23 5.49 -1.32 -1.26 -1.53 115.64 119.24 3khj s THR 11 Ca -0.06 -1.12 -0.06 0.00 -1.21 0.00 0.00 61.69 59.24 3khj s THR 11 Cb -0.15 -2.15 0.19 0.00 -1.51 0.00 0.00 72.50 68.89 3khj s THR 11 CO 0.05 0.00 1.73 -0.26 -2.21 0.00 0.00 174.62 173.93 3khj h PHE 12 N 0.32 0.46 0.00 9.09 -1.00 -1.94 -2.25 116.94 121.62 3khj h PHE 12 Ca -0.31 0.03 -0.03 0.00 2.81 0.00 0.00 57.97 60.47 3khj h PHE 12 Cb 1.29 -0.10 -0.00 0.00 3.61 0.00 0.00 35.95 40.75 3khj h PHE 12 CO 0.57 0.08 -0.16 1.49 -1.61 0.00 0.00 178.31 178.67 3khj h GLU 13 N 0.43 0.00 0.00 1.51 4.57 -1.97 -2.92 114.58 116.20 3khj h GLU 13 Ca 0.38 0.00 -0.05 0.00 -1.18 0.00 0.00 59.36 58.51 3khj h GLU 13 Cb 0.53 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.12 3khj h GLU 13 CO -0.37 0.16 -0.23 -0.44 -1.18 0.00 0.00 179.01 176.95 3khj h ASP 14 N 0.00 0.00 -2.23 1.04 3.32 -1.67 -3.46 116.42 113.41 3khj h ASP 14 Ca -0.00 0.00 -0.60 0.00 0.02 0.00 0.00 57.03 56.45 3khj h ASP 14 Cb 0.41 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 39.82 3khj h ASP 14 CO 0.02 0.23 -0.75 0.27 -1.72 0.00 0.00 179.24 177.29 3khj s ILE 15 N -3.36 2.40 -0.04 0.35 -4.36 -1.10 0.11 121.20 115.19 3khj s ILE 15 Ca 0.03 -2.37 -0.02 0.00 -0.26 0.00 0.00 60.65 58.03 3khj s ILE 15 Cb 0.08 -2.33 0.03 0.00 1.25 0.00 0.00 42.46 41.49 3khj s ILE 15 CO 0.66 -0.38 0.10 -0.76 0.24 0.00 0.00 174.94 174.80 3khj s LEU 16 N -3.51 1.01 0.16 0.37 1.43 -0.55 -4.90 118.68 112.69 3khj s LEU 16 Ca 0.30 0.19 -0.30 0.00 -1.03 0.00 0.00 54.13 53.29 3khj s LEU 16 Cb -0.04 0.21 -0.08 0.00 0.03 0.00 0.00 46.19 46.31 3khj s LEU 16 CO 0.15 -0.12 1.20 -0.76 0.23 0.00 0.00 176.35 177.04 3khj s LEU 17 N 0.94 4.44 -0.11 1.79 1.43 -1.26 -1.13 118.68 124.78 3khj s LEU 17 Ca -0.07 2.20 -0.21 0.00 -1.03 0.00 0.00 54.13 55.01 3khj s LEU 17 Cb -0.10 -3.60 -0.04 0.00 0.03 0.00 0.00 46.19 42.48 3khj s LEU 17 CO -0.04 -0.38 0.60 -0.69 0.23 0.00 0.00 176.35 176.07 3khj s VAL 18 N 0.12 5.10 0.21 -1.59 1.01 0.06 -4.91 120.40 120.40 3khj s VAL 18 Ca 0.54 1.21 -0.32 0.00 0.00 0.00 0.00 61.98 63.41 3khj s VAL 18 Cb -0.32 -3.94 -0.12 0.00 0.00 0.00 0.00 36.38 32.00 3khj s VAL 18 CO 0.35 0.25 1.69 -2.65 0.00 0.00 0.00 175.10 174.75 3khj n PRO 19 N 3.97 2.68 -3.01 2.72 -0.02 -1.26 -4.61 135.00 135.47 3khj n PRO 19 Ca -0.03 0.97 -0.19 0.00 -2.02 0.00 0.00 63.50 62.22 3khj n PRO 19 Cb 0.51 -2.80 0.05 0.00 -0.02 0.00 0.00 33.50 31.25 3khj n PRO 19 CO 0.00 0.00 0.00 -0.80 1.98 0.00 0.00 175.50 176.68 3khj s ASN 20 N 1.07 5.22 0.21 2.55 0.01 -0.54 -4.94 114.94 118.51 3khj s ASN 20 Ca 0.75 -0.72 -0.31 0.00 -0.71 0.00 0.00 52.86 51.87 3khj s ASN 20 Cb -0.53 0.04 -0.10 0.00 0.41 0.00 0.00 41.25 41.08 3khj s ASN 20 CO 0.35 -1.21 1.49 -0.47 -1.51 0.00 0.00 177.10 175.75 3khj s TYR 21 N -2.60 3.04 -0.05 2.20 5.04 -1.26 -4.40 117.35 119.32 3khj s TYR 21 Ca 0.60 0.86 0.05 0.00 -2.44 0.00 0.00 57.07 56.14 3khj s TYR 21 Cb -0.07 -3.86 -0.01 0.00 0.35 0.00 0.00 41.96 38.37 3khj s TYR 21 CO 0.38 -2.97 -0.21 0.45 -1.34 0.00 0.00 175.55 171.85 3khj s SER 22 N 0.73 2.65 -0.01 4.32 0.15 -1.26 -4.05 113.70 116.22 3khj s SER 22 Ca 0.64 -0.44 0.02 0.00 0.70 0.00 0.00 55.95 56.87 3khj s SER 22 Cb -0.42 -0.69 -0.03 0.00 -1.71 0.00 0.00 66.02 63.17 3khj s SER 22 CO 0.38 0.21 0.02 -1.84 1.20 0.00 0.00 173.24 173.21 3khj n GLU 23 N 2.99 1.89 -3.29 5.44 0.00 -1.26 -5.01 120.64 121.41 3khj n GLU 23 Ca -0.18 -0.01 -0.38 0.00 0.00 0.00 0.00 57.16 56.59 3khj n GLU 23 Cb 0.52 -1.05 -0.06 0.00 0.00 0.00 0.00 31.44 30.86 3khj n GLU 23 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.13 177.21 3khj s VAL 24 N -2.09 5.00 0.25 3.84 1.01 -1.26 -5.08 120.40 122.07 3khj s VAL 24 Ca -0.01 1.10 -0.12 0.00 0.00 0.00 0.00 61.98 62.95 3khj s VAL 24 Cb 0.01 -3.86 -0.08 0.00 0.00 0.00 0.00 36.38 32.45 3khj s VAL 24 CO 0.08 0.42 0.61 -0.76 0.00 0.00 0.00 175.10 175.45 3khj s LEU 25 N -0.13 4.15 0.41 3.92 1.02 -1.26 -4.74 118.68 122.04 3khj s LEU 25 Ca 0.28 1.05 0.23 0.00 0.02 0.00 0.00 54.13 55.72 3khj s LEU 25 Cb -0.17 -3.78 1.25 0.00 0.02 0.00 0.00 46.19 43.52 3khj s LEU 25 CO 0.15 -0.10 1.68 -0.65 0.02 0.00 0.00 176.35 177.45 3khj h PRO 26 N 2.54 0.22 -0.07 1.29 0.11 -1.94 0.10 132.00 134.25 3khj h PRO 26 Ca -0.47 -0.01 -0.11 0.00 0.11 0.00 0.00 66.00 65.51 3khj h PRO 26 Cb 1.17 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 3khj h PRO 26 CO 0.68 0.15 -0.46 0.00 -0.21 0.00 0.00 178.00 178.15 3khj h ARG 27 N 0.23 0.17 -0.56 1.05 -0.00 -1.94 -3.08 114.38 110.25 3khj h ARG 27 Ca 0.73 -0.09 0.00 0.00 -0.50 0.00 0.00 59.98 60.12 3khj h ARG 27 Cb 2.04 0.00 0.00 0.00 0.00 0.00 0.00 29.97 32.02 3khj h ARG 27 CO -0.42 0.60 0.00 0.39 0.00 0.00 0.00 179.97 180.55 3khj n GLU 28 N -3.98 2.52 -2.98 0.04 4.71 0.01 -4.89 120.64 116.06 3khj n GLU 28 Ca -0.02 -1.68 -0.40 0.00 -0.01 0.00 0.00 57.16 55.05 3khj n GLU 28 Cb 0.51 -1.58 -0.04 0.00 -1.01 0.00 0.00 31.44 29.31 3khj n GLU 28 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 3khj s VAL 29 N -1.66 5.00 -0.11 2.62 1.01 -1.16 -4.89 120.40 121.19 3khj s VAL 29 Ca 0.30 1.54 -0.20 0.00 0.00 0.00 0.00 61.98 63.62 3khj s VAL 29 Cb 0.19 -4.09 -0.04 0.00 0.00 0.00 0.00 36.38 32.45 3khj s VAL 29 CO 0.16 0.21 0.58 -0.55 0.00 0.00 0.00 175.10 175.50 3khj s SER 30 N 0.88 6.79 -0.13 3.32 0.15 0.74 -4.97 113.70 120.48 3khj s SER 30 Ca 0.39 0.95 0.15 0.00 0.70 0.00 0.00 55.95 58.14 3khj s SER 30 Cb -0.18 -2.34 0.53 0.00 -1.71 0.00 0.00 66.02 62.32 3khj s SER 30 CO 0.18 -0.09 1.45 0.18 1.20 0.00 0.00 173.24 176.16 3khj n LEU 31 N 3.97 3.97 -4.67 3.45 4.77 -1.26 -4.22 117.00 123.01 3khj n LEU 31 Ca -0.04 -2.65 -0.44 0.00 -0.03 0.00 0.00 56.01 52.85 3khj n LEU 31 Cb 0.51 -0.48 -0.02 0.00 -2.33 0.00 0.00 43.42 41.10 3khj n LEU 31 CO 0.45 0.71 0.89 -0.62 -1.33 0.00 0.00 177.39 177.48 3khj n GLU 32 N 0.13 1.94 -4.03 3.23 -0.58 -1.20 -3.99 120.64 116.13 3khj n GLU 32 Ca 0.20 0.68 -0.12 0.00 -0.42 0.00 0.00 57.16 57.51 3khj n GLU 32 Cb 0.80 -2.26 -0.11 0.00 -0.57 0.00 0.00 31.44 29.30 3khj n GLU 32 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 3khj s THR 33 N -0.66 0.38 -0.35 2.62 2.01 0.15 -4.68 115.64 115.11 3khj s THR 33 Ca 0.61 -0.98 -0.13 0.00 0.31 0.00 0.00 61.69 61.50 3khj s THR 33 Cb -0.63 -0.47 -0.01 0.00 0.01 0.00 0.00 72.50 71.40 3khj s THR 33 CO 0.57 -0.41 0.24 -0.54 -0.69 0.00 0.00 174.62 173.79 3khj s LYS 34 N -1.48 3.39 -0.10 4.92 -0.14 -1.26 0.39 119.74 125.45 3khj s LYS 34 Ca -0.12 -0.72 -0.12 0.00 -1.36 0.00 0.00 55.97 53.65 3khj s LYS 34 Cb -0.10 -3.80 -0.10 0.00 -1.68 0.00 0.00 37.83 32.15 3khj s LYS 34 CO -0.00 -0.49 0.38 1.25 -0.76 0.00 0.00 175.35 175.72 3khj h LEU 35 N 8.49 -0.05 -9.63 3.17 5.85 -1.62 -3.41 115.31 118.11 3khj h LEU 35 Ca -0.31 -0.34 -0.59 0.00 0.84 0.00 0.00 57.88 57.48 3khj h LEU 35 Cb 1.15 0.01 -0.13 0.00 0.37 0.00 0.00 40.66 42.06 3khj h LEU 35 CO 0.65 0.60 -0.53 0.42 -0.34 0.00 0.00 178.44 179.24 3khj s THR 36 N -2.09 0.91 0.01 1.05 -4.23 -0.93 -4.70 115.64 105.66 3khj s THR 36 Ca -0.08 -2.00 0.27 0.00 -1.18 0.00 0.00 61.69 58.70 3khj s THR 36 Cb -0.01 -2.36 0.27 0.00 1.34 0.00 0.00 72.50 71.73 3khj s THR 36 CO 0.28 0.00 1.81 0.07 -0.54 0.00 0.00 174.62 176.24 3khj h LYS 37 N 1.67 0.00 0.00 3.99 -0.00 -1.62 -3.16 116.57 117.46 3khj h LYS 37 Ca -0.39 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.26 3khj h LYS 37 Cb 1.28 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.51 3khj h LYS 37 CO 0.65 0.00 -0.82 0.09 -0.00 0.00 0.00 179.45 179.37 3khj n ASN 38 N -2.44 4.10 -4.53 7.07 3.02 -1.26 -5.03 115.26 116.19 3khj n ASN 38 Ca -0.02 0.00 -0.36 0.00 -0.03 0.00 0.00 54.58 54.17 3khj n ASN 38 Cb 0.05 0.58 -0.11 0.00 -0.61 0.00 0.00 39.78 39.69 3khj n ASN 38 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3khj s VAL 39 N -1.75 4.61 0.64 2.41 1.01 -1.19 -5.09 120.40 121.04 3khj s VAL 39 Ca 0.00 -0.08 0.03 0.00 0.00 0.00 0.00 61.98 61.93 3khj s VAL 39 Cb 0.00 -3.13 0.10 0.00 0.00 0.00 0.00 36.38 33.34 3khj s VAL 39 CO 0.00 0.37 0.88 -0.94 0.00 0.00 0.00 175.10 175.41 3khj s SER 40 N 1.21 4.75 -0.03 3.32 1.04 -1.26 -1.78 113.70 120.95 3khj s SER 40 Ca 0.05 -0.50 -0.21 0.00 0.48 0.00 0.00 55.95 55.77 3khj s SER 40 Cb -0.14 -0.02 0.04 0.00 0.10 0.00 0.00 66.02 66.00 3khj s SER 40 CO 0.04 -1.57 0.45 -0.22 0.98 0.00 0.00 173.24 172.93 3khj s LEU 41 N -4.91 0.26 -0.04 2.42 2.96 0.16 -4.68 118.68 114.85 3khj s LEU 41 Ca 0.63 0.33 -0.10 0.00 -0.22 0.00 0.00 54.13 54.77 3khj s LEU 41 Cb -0.06 1.77 -0.30 0.00 0.50 0.00 0.00 46.19 48.09 3khj s LEU 41 CO 0.41 -0.51 0.70 0.11 -1.32 0.00 0.00 176.35 175.74 3khj h LYS 42 N 3.51 0.38 -4.99 1.98 1.79 -1.52 0.44 116.57 118.17 3khj h LYS 42 Ca -0.29 -0.65 -0.44 0.00 -2.18 0.00 0.00 60.65 57.10 3khj h LYS 42 Cb 1.16 0.24 -0.29 0.00 -1.58 0.00 0.00 32.23 31.76 3khj h LYS 42 CO 0.40 1.29 -0.79 0.96 -1.08 0.00 0.00 179.45 180.22 3khj s ILE 43 N -2.58 0.90 0.00 1.86 -4.36 -0.92 -3.26 121.20 112.84 3khj s ILE 43 Ca -0.15 -0.49 0.00 0.00 -0.26 0.00 0.00 60.65 59.76 3khj s ILE 43 Cb 0.06 -0.75 0.00 0.00 1.25 0.00 0.00 42.46 43.01 3khj s ILE 43 CO 0.86 0.26 1.38 -0.81 0.24 0.00 0.00 174.94 176.86 3khj n PRO 44 N 2.81 0.91 -4.15 0.37 -0.04 -1.26 -4.24 135.00 129.40 3khj n PRO 44 Ca -0.14 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 62.98 3khj n PRO 44 Cb 0.56 -1.05 -0.12 0.00 -0.04 0.00 0.00 33.50 32.85 3khj n PRO 44 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3khj s LEU 45 N 0.00 3.25 -0.03 1.53 1.43 -1.26 -0.56 118.68 123.04 3khj s LEU 45 Ca 0.00 -0.19 0.07 0.00 -1.03 0.00 0.00 54.13 52.99 3khj s LEU 45 Cb 0.00 -1.81 -0.02 0.00 0.03 0.00 0.00 46.19 44.39 3khj s LEU 45 CO 0.00 0.09 -0.25 -0.63 0.23 0.00 0.00 176.35 175.79 3khj s ILE 46 N 0.84 2.10 0.12 -0.59 1.01 0.29 -3.05 121.20 121.93 3khj s ILE 46 Ca 0.00 -1.08 -0.27 0.00 0.00 0.00 0.00 60.65 59.30 3khj s ILE 46 Cb -0.14 -1.73 -0.07 0.00 0.01 0.00 0.00 42.46 40.53 3khj s ILE 46 CO 0.02 0.58 0.84 -0.55 0.00 0.00 0.00 174.94 175.82 3khj s SER 47 N -0.49 7.39 0.51 3.58 0.15 -0.80 -1.00 113.70 123.03 3khj s SER 47 Ca 0.06 1.65 -0.21 0.00 0.70 0.00 0.00 55.95 58.15 3khj s SER 47 Cb -0.11 -2.52 -0.06 0.00 -1.71 0.00 0.00 66.02 61.62 3khj s SER 47 CO 0.00 0.07 1.20 -0.44 1.20 0.00 0.00 173.24 175.28 3khj s SER 48 N -0.51 5.76 -1.35 5.45 0.01 -0.91 -3.32 113.70 118.83 3khj s SER 48 Ca 0.40 2.39 -0.14 0.00 1.31 0.00 0.00 55.95 59.91 3khj s SER 48 Cb -0.23 -2.60 0.09 0.00 0.21 0.00 0.00 66.02 63.49 3khj s SER 48 CO 0.27 -1.20 1.94 0.00 0.41 0.00 0.00 173.24 174.66 3khj n ALA 49 N -0.90 4.82 -2.79 1.44 0.00 -1.25 -4.18 120.51 117.64 3khj n ALA 49 Ca 0.10 -4.01 -0.15 0.00 0.00 0.00 0.00 53.44 49.38 3khj n ALA 49 Cb 0.48 -3.38 -0.14 0.00 0.00 0.00 0.00 19.45 16.41 3khj n ALA 49 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 3khj s MET 50 N 2.68 0.45 0.00 0.00 -1.94 -1.26 -4.59 119.30 114.64 3khj s MET 50 Ca 0.47 -0.35 0.08 0.00 -1.71 0.00 0.00 55.69 54.18 3khj s MET 50 Cb 0.09 -0.37 0.39 0.00 2.01 0.00 0.00 34.83 36.94 3khj s MET 50 CO -0.02 0.09 1.17 -0.40 -0.01 0.00 0.00 175.02 175.85 3khj n ASP 51 N 2.52 0.00 -0.28 3.03 5.68 -1.26 -1.57 116.55 124.68 3khj n ASP 51 Ca -0.16 0.27 0.06 0.00 -0.50 0.00 0.00 54.79 54.46 3khj n ASP 51 Cb 0.57 -0.35 -0.00 0.00 -1.14 0.00 0.00 41.12 40.20 3khj n ASP 51 CO 0.00 0.00 0.00 1.07 -1.33 0.00 0.00 177.20 176.94 3khj n THR 52 N -1.35 0.00 0.00 2.12 5.66 -1.26 -4.65 114.28 114.80 3khj n THR 52 Ca 0.03 -0.37 0.00 0.00 -3.05 0.00 0.00 64.05 60.66 3khj n THR 52 Cb 0.07 1.14 0.00 0.00 -1.55 0.00 0.00 70.33 70.00 3khj n THR 52 CO 0.00 0.00 0.00 0.55 -3.05 0.00 0.00 175.07 172.57 3khj n VAL 53 N -0.21 0.00 -3.94 1.08 3.14 -0.76 -4.34 118.33 113.30 3khj n VAL 53 Ca 0.05 0.00 -0.21 0.00 -2.96 0.00 0.00 64.34 61.22 3khj n VAL 53 Cb 0.26 -0.47 -0.17 0.00 -1.06 0.00 0.00 33.84 32.40 3khj n VAL 53 CO 0.00 0.00 0.00 -0.89 -6.46 0.00 0.00 176.83 169.48 3khj s THR 54 N -1.49 0.41 0.00 1.55 2.01 -0.61 -4.42 115.64 113.09 3khj s THR 54 Ca 0.00 0.03 0.00 0.00 0.31 0.00 0.00 61.69 62.03 3khj s THR 54 Cb 0.00 -0.51 0.00 0.00 0.01 0.00 0.00 72.50 72.00 3khj s THR 54 CO 0.00 0.23 0.00 -0.62 -0.69 0.00 0.00 174.62 173.54 3khj n GLU 55 N 4.60 0.00 -0.07 4.92 1.02 -1.26 -4.13 120.64 125.72 3khj n GLU 55 Ca -0.16 0.00 -0.08 0.00 -0.02 0.00 0.00 57.16 56.90 3khj n GLU 55 Cb 0.50 0.00 -0.10 0.00 -0.02 0.00 0.00 31.44 31.83 3khj n GLU 55 CO 0.00 0.00 0.00 -2.39 1.18 0.00 0.00 177.13 175.92 3khj n HIS 56 N 0.00 0.00 0.10 -0.32 1.44 -1.26 -3.88 115.22 111.30 3khj n HIS 56 Ca 0.00 0.00 0.01 0.00 -2.01 0.00 0.00 57.72 55.72 3khj n HIS 56 Cb 0.00 -0.64 0.32 0.00 0.12 0.00 0.00 29.99 29.79 3khj n HIS 56 CO 0.00 0.00 0.00 -0.07 -2.81 0.00 0.00 176.34 173.46 3khj h LEU 57 N 0.00 0.26 0.21 2.39 4.07 -1.97 -1.95 115.31 118.31 3khj h LEU 57 Ca -0.35 -0.07 -0.27 0.00 0.08 0.00 0.00 57.88 57.26 3khj h LEU 57 Cb 1.74 -0.07 0.03 0.00 1.08 0.00 0.00 40.66 43.45 3khj h LEU 57 CO 0.00 0.49 -1.19 -0.03 -1.08 0.00 0.00 178.44 176.63 3khj h MET 58 N 0.25 0.44 -0.14 1.13 4.05 -1.69 -3.09 114.93 115.88 3khj h MET 58 Ca 0.04 -0.75 -0.06 0.00 -0.28 0.00 0.00 59.70 58.65 3khj h MET 58 Cb 0.52 0.28 -0.01 0.00 -0.80 0.00 0.00 31.60 31.59 3khj h MET 58 CO 0.04 1.36 -0.19 0.00 0.23 0.00 0.00 176.91 178.34 3khj h ALA 59 N 0.12 1.42 0.05 0.39 0.00 -1.65 -1.62 119.26 117.96 3khj h ALA 59 Ca -0.21 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.45 3khj h ALA 59 Cb 1.94 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.64 3khj h ALA 59 CO 0.22 0.41 -0.02 0.28 0.00 0.00 0.00 179.25 180.14 3khj h VAL 60 N 0.22 1.30 -0.70 0.00 2.07 -1.48 -2.96 116.25 114.71 3khj h VAL 60 Ca 0.04 -1.24 0.02 0.00 0.82 0.00 0.00 66.70 66.34 3khj h VAL 60 Cb 0.47 2.11 -0.04 0.00 -1.52 0.00 0.00 31.29 32.32 3khj h VAL 60 CO 0.03 0.31 0.46 1.23 0.02 0.00 0.00 177.57 179.62 3khj h GLY 61 N -0.62 0.97 1.06 2.17 0.00 -1.43 -0.77 103.07 104.45 3khj h GLY 61 Ca -0.01 -0.35 -0.11 0.00 0.00 0.00 0.00 47.33 46.87 3khj h GLY 61 CO 0.01 0.32 -0.13 -0.33 0.00 0.00 0.00 176.54 176.41 3khj h MET 62 N 0.89 0.95 -0.34 4.80 2.86 -1.40 -3.05 114.93 119.63 3khj h MET 62 Ca 0.27 -0.37 -0.15 0.00 -2.06 0.00 0.00 59.70 57.39 3khj h MET 62 Cb -0.02 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.58 3khj h MET 62 CO -0.07 1.03 -0.40 0.00 1.06 0.00 0.00 176.91 178.53 3khj h ALA 63 N 0.89 0.65 0.00 6.32 0.00 -1.18 0.28 119.26 126.22 3khj h ALA 63 Ca 0.12 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.58 3khj h ALA 63 Cb 0.69 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.36 3khj h ALA 63 CO 0.05 0.67 0.00 2.89 0.00 0.00 0.00 179.25 182.86 3khj n ARG 64 N -4.04 1.00 -0.00 0.00 -4.01 -0.37 -2.85 116.66 106.38 3khj n ARG 64 Ca -0.02 0.00 0.05 0.00 -1.04 0.00 0.00 57.85 56.84 3khj n ARG 64 Cb 0.54 -1.43 -0.06 0.00 -3.04 0.00 0.00 32.46 28.47 3khj n ARG 64 CO 0.00 0.00 0.00 1.28 -3.04 0.00 0.00 177.63 175.87 3khj n LEU 65 N -0.93 0.47 0.00 2.89 4.77 -1.10 -5.00 117.00 118.09 3khj n LEU 65 Ca 0.21 -0.47 0.00 0.00 -0.03 0.00 0.00 56.01 55.72 3khj n LEU 65 Cb 0.10 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 3khj n LEU 65 CO 0.16 0.12 0.00 0.61 -1.33 0.00 0.00 177.39 176.94 3khj n GLY 66 N 1.29 1.31 0.00 -0.72 0.00 -1.01 -4.75 105.19 101.30 3khj n GLY 66 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 3khj n GLY 66 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3khj n GLY 67 N -0.22 2.02 3.03 -0.02 0.00 0.97 -1.43 105.19 109.54 3khj n GLY 67 Ca 0.00 -2.02 -0.11 0.00 0.00 0.00 0.00 46.02 43.89 3khj n GLY 67 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3khj s ILE 68 N 2.14 0.05 -0.02 -0.61 2.07 -1.17 -3.48 121.20 120.19 3khj s ILE 68 Ca 0.00 -0.45 0.02 0.00 -1.41 0.00 0.00 60.65 58.81 3khj s ILE 68 Cb 0.00 -0.29 -0.03 0.00 0.13 0.00 0.00 42.46 42.27 3khj s ILE 68 CO 0.00 -0.25 -0.06 -0.83 -1.91 0.00 0.00 174.94 171.89 3khj s GLY 69 N -0.81 1.74 -0.22 1.50 0.00 -1.26 -1.91 107.32 106.37 3khj s GLY 69 Ca -0.09 -0.97 -0.02 0.00 0.00 0.00 0.00 44.72 43.64 3khj s GLY 69 CO 0.01 -0.81 -0.09 -0.42 0.00 0.00 0.00 173.10 171.79 3khj s ILE 70 N -0.94 2.90 0.16 0.90 -1.09 -1.21 -1.73 121.20 120.18 3khj s ILE 70 Ca 0.16 -0.73 -0.30 0.00 -2.23 0.00 0.00 60.65 57.54 3khj s ILE 70 Cb -0.11 -2.33 -0.07 0.00 -1.58 0.00 0.00 42.46 38.36 3khj s ILE 70 CO 0.06 0.41 1.16 -0.63 -1.23 0.00 0.00 174.94 174.70 3khj s ILE 71 N 1.39 3.78 0.78 2.92 1.09 -0.94 -3.97 121.20 126.26 3khj s ILE 71 Ca 0.04 1.46 -0.12 0.00 -1.10 0.00 0.00 60.65 60.94 3khj s ILE 71 Cb -0.14 -3.93 0.07 0.00 -1.06 0.00 0.00 42.46 37.39 3khj s ILE 71 CO -0.06 0.21 1.12 -1.38 -0.10 0.00 0.00 174.94 174.73 3khj s HIS 72 N 0.12 2.30 -2.50 3.97 -3.43 -1.26 -1.74 115.29 112.74 3khj s HIS 72 Ca 0.53 1.62 0.24 0.00 -0.80 0.00 0.00 55.06 56.64 3khj s HIS 72 Cb -0.31 -3.18 0.68 0.00 -1.43 0.00 0.00 32.58 28.33 3khj s HIS 72 CO 0.34 -2.11 1.53 0.36 -2.00 0.00 0.00 174.74 172.86 3khj n LYS 73 N -3.43 1.96 -0.92 -0.38 2.85 -1.26 -4.57 118.16 112.41 3khj n LYS 73 Ca 0.10 -1.43 -0.10 0.00 -1.05 0.00 0.00 58.31 55.83 3khj n LYS 73 Cb 0.52 -1.45 -0.15 0.00 -0.65 0.00 0.00 35.03 33.30 3khj n LYS 73 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 177.40 175.64 3khj n ASN 74 N 0.68 5.13 -3.45 -5.58 5.15 -1.26 -4.74 115.26 111.19 3khj n ASN 74 Ca 0.17 -2.45 -0.11 0.00 -0.60 0.00 0.00 54.58 51.59 3khj n ASN 74 Cb 0.43 -1.35 -0.02 0.00 -0.53 0.00 0.00 39.78 38.31 3khj n ASN 74 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3khj s MET 75 N 0.93 1.13 0.96 1.20 0.23 -1.26 -2.85 119.30 119.64 3khj s MET 75 Ca 0.58 -0.38 -0.11 0.00 -1.03 0.00 0.00 55.69 54.75 3khj s MET 75 Cb 0.28 0.52 0.17 0.00 -1.53 0.00 0.00 34.83 34.27 3khj s MET 75 CO 0.00 -0.49 1.13 0.16 -2.03 0.00 0.00 175.02 173.79 3khj s ASP 76 N -2.58 2.52 0.22 -1.18 1.47 -1.26 -4.80 116.67 111.07 3khj s ASP 76 Ca 0.02 2.08 -0.07 0.00 1.18 0.00 0.00 52.55 55.75 3khj s ASP 76 Cb -0.01 -2.53 0.31 0.00 -0.34 0.00 0.00 42.92 40.35 3khj s ASP 76 CO -0.11 -3.33 1.80 0.24 0.68 0.00 0.00 175.17 174.45 3khj h MET 77 N -2.03 0.67 -0.11 2.11 2.86 -1.95 -2.78 114.93 113.70 3khj h MET 77 Ca -0.46 -0.04 -0.17 0.00 -2.06 0.00 0.00 59.70 56.97 3khj h MET 77 Cb 1.28 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 32.78 3khj h MET 77 CO 0.43 0.44 -0.64 1.05 1.06 0.00 0.00 176.91 179.26 3khj h GLU 78 N 0.69 0.41 -0.39 1.72 -0.00 -1.97 -2.99 114.58 112.06 3khj h GLU 78 Ca 0.34 -0.30 -0.10 0.00 -0.00 0.00 0.00 59.36 59.30 3khj h GLU 78 Cb 0.28 0.05 -0.02 0.00 -0.00 0.00 0.00 28.75 29.06 3khj h GLU 78 CO -0.22 0.92 -0.16 0.77 -0.00 0.00 0.00 179.01 180.31 3khj h SER 79 N 0.30 0.72 -0.16 3.06 0.02 -1.86 -1.73 113.55 113.90 3khj h SER 79 Ca -0.01 -0.23 -0.16 0.00 -0.84 0.00 0.00 61.79 60.55 3khj h SER 79 Cb 1.18 -0.19 -0.00 0.00 0.14 0.00 0.00 62.40 63.52 3khj h SER 79 CO 0.11 0.88 -0.49 -0.61 -1.14 0.00 0.00 176.83 175.58 3khj h GLN 80 N 0.65 0.73 -0.30 3.45 4.15 -1.52 -1.80 115.11 120.47 3khj h GLN 80 Ca 0.10 -0.43 -0.04 0.00 0.77 0.00 0.00 58.65 59.05 3khj h GLN 80 Cb 0.63 0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.35 3khj h GLN 80 CO 0.04 1.05 0.03 0.28 -1.93 0.00 0.00 178.83 178.30 3khj h VAL 81 N 0.58 1.25 0.00 2.39 2.07 -1.44 -1.59 116.25 119.50 3khj h VAL 81 Ca 0.03 -0.87 -0.01 0.00 0.82 0.00 0.00 66.70 66.67 3khj h VAL 81 Cb 1.06 1.23 -0.00 0.00 -1.52 0.00 0.00 31.29 32.06 3khj h VAL 81 CO 0.10 0.28 -0.03 0.78 0.02 0.00 0.00 177.57 178.73 3khj h ASN 82 N 0.32 0.00 0.80 0.57 2.35 -1.26 0.88 115.58 119.23 3khj h ASN 82 Ca 0.09 0.00 -0.24 0.00 -0.55 0.00 0.00 56.30 55.59 3khj h ASN 82 Cb 0.39 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.73 3khj h ASN 82 CO 0.01 0.03 -1.20 -0.08 -1.65 0.00 0.00 177.43 174.54 3khj h GLU 83 N 0.00 0.08 -0.10 0.81 4.57 -0.99 -2.95 114.58 116.01 3khj h GLU 83 Ca -0.00 -0.13 -0.10 0.00 -1.18 0.00 0.00 59.36 57.94 3khj h GLU 83 Cb 0.24 0.05 0.00 0.00 -0.16 0.00 0.00 28.75 28.88 3khj h GLU 83 CO 0.00 0.99 -0.35 0.28 -1.18 0.00 0.00 179.01 178.75 3khj h VAL 84 N 0.02 1.40 0.00 0.32 2.07 -0.27 -3.17 116.25 116.62 3khj h VAL 84 Ca -0.10 -1.70 -0.02 0.00 0.82 0.00 0.00 66.70 65.71 3khj h VAL 84 Cb 1.87 2.21 -0.00 0.00 -1.52 0.00 0.00 31.29 33.85 3khj h VAL 84 CO 0.14 0.50 -0.08 -0.07 0.02 0.00 0.00 177.57 178.08 3khj h LEU 85 N -0.04 0.00 -0.64 2.57 3.38 -0.98 -1.84 115.31 117.75 3khj h LEU 85 Ca -0.02 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.81 3khj h LEU 85 Cb 0.98 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.72 3khj h LEU 85 CO 0.07 0.08 -0.51 0.50 0.09 0.00 0.00 178.44 178.67 3khj h LYS 86 N 0.00 0.44 0.00 1.13 3.64 -1.53 -2.28 116.57 117.98 3khj h LYS 86 Ca -0.00 -0.26 -0.01 0.00 -1.27 0.00 0.00 60.65 59.11 3khj h LYS 86 Cb 0.14 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.99 3khj h LYS 86 CO 0.01 0.85 -0.02 0.28 -2.27 0.00 0.00 179.45 178.30 3khj h VAL 87 N 0.35 1.70 -0.35 2.00 2.07 -1.40 -3.35 116.25 117.28 3khj h VAL 87 Ca 0.01 -2.10 -0.05 0.00 0.82 0.00 0.00 66.70 65.39 3khj h VAL 87 Cb 1.01 3.13 -0.02 0.00 -1.52 0.00 0.00 31.29 33.89 3khj h VAL 87 CO 0.09 0.55 0.01 0.11 0.02 0.00 0.00 177.57 178.35 3khj h LYS 88 N -0.87 0.54 -2.12 1.57 6.56 -1.43 -3.16 116.57 117.67 3khj h LYS 88 Ca -0.00 -0.11 -0.75 0.00 -1.06 0.00 0.00 60.65 58.72 3khj h LYS 88 Cb 0.91 -0.08 -0.30 0.00 -0.57 0.00 0.00 32.23 32.19 3khj h LYS 88 CO 0.00 0.56 0.71 0.09 -2.06 0.00 0.00 179.45 178.76 3khj n ASN 89 N -4.28 6.88 0.00 0.86 3.02 -0.86 -2.36 115.26 118.52 3khj n ASN 89 Ca 0.02 -3.74 0.00 0.00 -0.03 0.00 0.00 54.58 50.83 3khj n ASN 89 Cb 0.24 -1.01 0.00 0.00 -0.61 0.00 0.00 39.78 38.40 3khj n ASN 89 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 3khj n SER 90 N -0.27 0.00 0.00 6.41 3.41 -1.19 -4.89 113.62 117.08 3khj n SER 90 Ca 0.47 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 59.08 3khj n SER 90 Cb 0.30 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.25 3khj n SER 90 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3khj n GLY 91 N 0.00 0.60 1.28 5.00 0.00 -1.26 -5.01 105.19 105.80 3khj n GLY 91 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.02 3khj n GLY 91 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3khj n GLY 92 N 0.00 0.66 3.92 -0.02 0.00 -0.99 -5.07 105.19 103.68 3khj n GLY 92 Ca 0.00 -0.56 -0.30 0.00 0.00 0.00 0.00 46.02 45.16 3khj n GLY 92 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3khj s LEU 135 N -1.65 4.33 0.31 0.99 1.43 -1.26 -5.05 118.68 117.78 3khj s LEU 135 Ca 0.01 0.32 -0.18 0.00 -1.03 0.00 0.00 54.13 53.25 3khj s LEU 135 Cb -0.00 -3.03 -0.09 0.00 0.03 0.00 0.00 46.19 43.09 3khj s LEU 135 CO 0.01 0.11 0.77 -0.13 0.23 0.00 0.00 176.35 177.35 3khj s ARG 136 N -2.73 4.15 0.13 1.70 0.52 -1.26 -4.31 118.95 117.15 3khj s ARG 136 Ca 0.36 0.83 -0.13 0.00 -0.52 0.00 0.00 55.73 56.27 3khj s ARG 136 Cb -0.12 -2.56 0.02 0.00 0.52 0.00 0.00 34.95 32.81 3khj s ARG 136 CO 0.28 0.21 0.35 0.54 0.02 0.00 0.00 175.30 176.70 3khj s VAL 137 N -1.84 0.08 0.28 3.52 0.11 -1.26 -4.72 120.40 116.57 3khj s VAL 137 Ca 0.51 -0.86 0.06 0.00 -2.93 0.00 0.00 61.98 58.76 3khj s VAL 137 Cb -0.13 -1.35 -0.06 0.00 -1.53 0.00 0.00 36.38 33.31 3khj s VAL 137 CO 0.18 -0.37 -0.04 -0.83 -3.33 0.00 0.00 175.10 170.71 3khj s GLY 138 N -2.85 1.86 0.01 6.54 0.00 -0.71 -0.86 107.32 111.32 3khj s GLY 138 Ca 0.06 -1.92 -0.03 0.00 0.00 0.00 0.00 44.72 42.83 3khj s GLY 138 CO -0.09 -1.83 0.04 0.00 0.00 0.00 0.00 173.10 171.21 3khj s ALA 139 N -3.07 -0.06 -0.12 3.20 0.00 -0.53 -2.21 121.76 118.97 3khj s ALA 139 Ca 0.30 -0.38 -0.05 0.00 0.00 0.00 0.00 51.96 51.84 3khj s ALA 139 Cb 0.05 0.12 -0.04 0.00 0.00 0.00 0.00 23.12 23.25 3khj s ALA 139 CO 0.12 -0.17 0.05 0.00 0.00 0.00 0.00 175.76 175.76 3khj s ALA 140 N -1.34 3.45 -0.01 0.00 0.00 -0.71 -0.02 121.76 123.12 3khj s ALA 140 Ca -0.15 -0.75 0.03 0.00 0.00 0.00 0.00 51.96 51.09 3khj s ALA 140 Cb -0.09 -1.71 -0.00 0.00 0.00 0.00 0.00 23.12 21.32 3khj s ALA 140 CO 0.00 0.48 -0.10 0.42 0.00 0.00 0.00 175.76 176.56 3khj s ILE 141 N -0.56 0.78 0.00 0.00 1.09 0.47 -4.25 121.20 118.73 3khj s ILE 141 Ca 0.10 -0.41 0.00 0.00 -1.10 0.00 0.00 60.65 59.25 3khj s ILE 141 Cb -0.12 -0.66 0.00 0.00 -1.06 0.00 0.00 42.46 40.62 3khj s ILE 141 CO 0.02 0.23 0.00 0.61 -0.10 0.00 0.00 174.94 175.70 3khj n GLY 142 N 2.95 -0.67 3.73 6.18 0.00 -1.26 -2.20 105.19 113.93 3khj n GLY 142 Ca -0.15 -1.65 -0.41 0.00 0.00 0.00 0.00 46.02 43.80 3khj n GLY 142 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3khj s VAL 143 N -0.02 3.55 -0.38 1.61 0.11 -1.26 -4.08 120.40 119.93 3khj s VAL 143 Ca 0.00 1.25 -0.10 0.00 -2.93 0.00 0.00 61.98 60.20 3khj s VAL 143 Cb 0.00 -3.80 0.01 0.00 -1.53 0.00 0.00 36.38 31.06 3khj s VAL 143 CO 0.00 0.17 0.22 -0.46 -3.33 0.00 0.00 175.10 171.70 3khj n ASN 144 N 2.86 -1.36 -4.08 3.54 0.23 -1.26 -4.90 115.26 110.29 3khj n ASN 144 Ca 0.06 -0.41 -0.37 0.00 -0.53 0.00 0.00 54.58 53.33 3khj n ASN 144 Cb 0.44 -0.51 -0.05 0.00 -2.08 0.00 0.00 39.78 37.58 3khj n ASN 144 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 3khj n GLU 145 N -2.11 2.91 0.10 -3.83 1.02 -1.26 -4.90 120.64 112.56 3khj n GLU 145 Ca -0.05 -4.50 -0.04 0.00 -0.02 0.00 0.00 57.16 52.55 3khj n GLU 145 Cb 0.19 -2.43 0.13 0.00 -0.02 0.00 0.00 31.44 29.31 3khj n GLU 145 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 3khj h ILE 146 N 3.87 1.40 -0.74 -3.67 2.04 -1.95 -2.38 117.51 116.08 3khj h ILE 146 Ca 0.17 -2.03 -0.02 0.00 1.00 0.00 0.00 64.86 63.97 3khj h ILE 146 Cb 0.79 2.05 -0.03 0.00 -0.74 0.00 0.00 36.82 38.89 3khj h ILE 146 CO 0.92 0.60 0.36 -0.33 0.00 0.00 0.00 178.15 179.70 3khj h GLU 147 N 0.13 1.05 0.00 2.37 5.08 -2.01 -2.07 114.58 119.13 3khj h GLU 147 Ca -0.01 -0.14 0.00 0.00 -1.00 0.00 0.00 59.36 58.21 3khj h GLU 147 Cb 1.12 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 30.17 3khj h GLU 147 CO 0.09 0.81 -0.44 -0.09 -1.00 0.00 0.00 179.01 178.38 3khj h ARG 148 N 1.05 0.00 0.00 2.33 2.43 -1.97 -3.13 114.38 115.09 3khj h ARG 148 Ca 0.26 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.43 3khj h ARG 148 Cb 0.09 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.64 3khj h ARG 148 CO -0.03 0.00 0.00 0.00 -1.51 0.00 0.00 179.97 178.43 3khj n ALA 149 N -1.90 2.20 -0.01 2.80 0.00 -0.79 -2.96 120.51 119.85 3khj n ALA 149 Ca 0.03 -0.11 -0.00 0.00 0.00 0.00 0.00 53.44 53.36 3khj n ALA 149 Cb 0.46 -1.37 -0.01 0.00 0.00 0.00 0.00 19.45 18.53 3khj n ALA 149 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 3khj n LYS 150 N -1.22 2.46 0.17 0.00 2.85 -1.18 -4.66 118.16 116.58 3khj n LYS 150 Ca 0.12 -0.01 0.02 0.00 -1.05 0.00 0.00 58.31 57.39 3khj n LYS 150 Cb 0.16 -1.05 0.31 0.00 -0.65 0.00 0.00 35.03 33.80 3khj n LYS 150 CO 0.00 0.00 0.00 1.37 -0.05 0.00 0.00 177.40 178.72 3khj h LEU 151 N 0.00 0.00 0.00 -5.58 -0.00 -1.47 -3.11 115.31 105.15 3khj h LEU 151 Ca -0.03 0.00 -0.23 0.00 -0.00 0.00 0.00 57.88 57.62 3khj h LEU 151 Cb 0.77 0.00 -0.04 0.00 -0.00 0.00 0.00 40.66 41.39 3khj h LEU 151 CO 0.00 0.44 -1.58 0.18 -0.00 0.00 0.00 178.44 177.48 3khj n LEU 152 N -3.93 0.84 -0.11 0.17 4.77 -1.19 -3.73 117.00 113.82 3khj n LEU 152 Ca -0.01 0.39 -0.09 0.00 -0.03 0.00 0.00 56.01 56.26 3khj n LEU 152 Cb 0.47 0.13 -0.02 0.00 -2.33 0.00 0.00 43.42 41.68 3khj n LEU 152 CO 0.39 0.27 0.90 0.58 -1.33 0.00 0.00 177.39 178.20 3khj h VAL 153 N 0.00 1.19 0.00 4.08 2.07 -1.82 -2.70 116.25 119.07 3khj h VAL 153 Ca -0.23 -0.58 -0.03 0.00 0.82 0.00 0.00 66.70 66.68 3khj h VAL 153 Cb 1.80 0.92 -0.00 0.00 -1.52 0.00 0.00 31.29 32.48 3khj h VAL 153 CO 0.06 0.20 -0.17 -0.33 0.02 0.00 0.00 177.57 177.36 3khj h GLU 154 N 0.42 0.00 0.00 1.57 5.08 -1.70 -2.87 114.58 117.07 3khj h GLU 154 Ca 0.12 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.37 3khj h GLU 154 Cb 0.19 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 3khj h GLU 154 CO -0.01 0.17 -0.48 0.00 -1.00 0.00 0.00 179.01 177.69 3khj h ALA 155 N 1.83 1.10 0.00 3.43 0.00 -1.56 -3.47 119.26 120.60 3khj h ALA 155 Ca -0.00 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.47 3khj h ALA 155 Cb 0.46 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.17 3khj h ALA 155 CO 0.02 0.60 0.00 0.41 0.00 0.00 0.00 179.25 180.28 3khj n GLY 156 N 0.02 1.55 3.87 0.00 0.00 -1.08 -4.69 105.19 104.86 3khj n GLY 156 Ca -0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.70 3khj n GLY 156 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3khj s VAL 157 N -2.00 4.42 -0.08 1.61 0.11 -1.16 -4.76 120.40 118.53 3khj s VAL 157 Ca 0.00 0.76 0.04 0.00 -2.93 0.00 0.00 61.98 59.85 3khj s VAL 157 Cb 0.00 -3.77 -0.08 0.00 -1.53 0.00 0.00 36.38 31.00 3khj s VAL 157 CO 0.00 -1.01 -0.02 0.47 -3.33 0.00 0.00 175.10 171.20 3khj n ASP 158 N -2.79 3.22 -4.02 3.54 9.92 -0.04 -4.93 116.55 121.45 3khj n ASP 158 Ca 0.06 -0.02 -0.21 0.00 -0.53 0.00 0.00 54.79 54.09 3khj n ASP 158 Cb 0.55 0.30 -0.15 0.00 -0.64 0.00 0.00 41.12 41.17 3khj n ASP 158 CO 0.00 0.00 0.00 0.68 0.13 0.00 0.00 177.20 178.01 3khj s VAL 159 N -2.18 0.84 -0.28 2.53 -7.23 -1.20 -4.31 120.40 108.56 3khj s VAL 159 Ca -0.08 -0.40 -0.08 0.00 -1.81 0.00 0.00 61.98 59.61 3khj s VAL 159 Cb 0.03 -0.75 -0.01 0.00 0.56 0.00 0.00 36.38 36.21 3khj s VAL 159 CO 0.26 0.26 0.10 -0.63 -0.31 0.00 0.00 175.10 174.78 3khj s ILE 160 N 0.15 4.28 -0.42 -0.62 -1.09 -0.46 -1.45 121.20 121.59 3khj s ILE 160 Ca -0.03 -0.43 -0.16 0.00 -2.23 0.00 0.00 60.65 57.81 3khj s ILE 160 Cb -0.08 -3.13 0.02 0.00 -1.58 0.00 0.00 42.46 37.69 3khj s ILE 160 CO 0.01 0.17 0.37 -0.69 -1.23 0.00 0.00 174.94 173.56 3khj s VAL 161 N 1.58 5.17 -1.04 2.92 1.01 0.97 0.26 120.40 131.26 3khj s VAL 161 Ca 0.05 -0.51 -0.18 0.00 0.00 0.00 0.00 61.98 61.34 3khj s VAL 161 Cb -0.16 -3.99 0.13 0.00 0.00 0.00 0.00 36.38 32.36 3khj s VAL 161 CO 0.04 -0.37 1.30 -0.22 0.00 0.00 0.00 175.10 175.85 3khj s LEU 162 N 1.91 4.76 -0.07 3.92 0.20 0.19 -0.39 118.68 129.19 3khj s LEU 162 Ca 0.08 -2.25 -0.21 0.00 0.69 0.00 0.00 54.13 52.45 3khj s LEU 162 Cb -0.18 -2.44 -0.04 0.00 -0.43 0.00 0.00 46.19 43.10 3khj s LEU 162 CO 0.12 -1.04 0.58 1.51 -0.29 0.00 0.00 176.35 177.23 3khj s ASP 163 N 3.64 6.86 -0.07 3.68 -4.77 -0.93 -2.30 116.67 122.78 3khj s ASP 163 Ca 0.39 1.03 -0.18 0.00 -3.30 0.00 0.00 52.55 50.50 3khj s ASP 163 Cb -0.03 -2.35 0.04 0.00 -1.09 0.00 0.00 42.92 39.49 3khj s ASP 163 CO -0.06 -0.01 0.42 -0.55 0.70 0.00 0.00 175.17 175.67 3khj s SER 164 N 0.46 -0.36 0.24 2.11 0.15 -0.27 -4.55 113.70 111.48 3khj s SER 164 Ca 0.31 0.48 -0.07 0.00 0.70 0.00 0.00 55.95 57.37 3khj s SER 164 Cb -0.17 0.56 0.23 0.00 -1.71 0.00 0.00 66.02 64.93 3khj s SER 164 CO 0.15 -0.37 1.91 0.00 1.20 0.00 0.00 173.24 176.13 3khj h ALA 165 N 4.30 1.17 -3.47 5.45 0.00 -1.89 0.22 119.26 125.03 3khj h ALA 165 Ca -0.28 -0.06 -0.63 0.00 0.00 0.00 0.00 54.91 53.94 3khj h ALA 165 Cb 1.17 -0.37 -0.40 0.00 0.00 0.00 0.00 17.79 18.19 3khj h ALA 165 CO 0.34 0.55 -0.73 -1.58 0.00 0.00 0.00 179.25 177.83 3khj s HIS 166 N -6.12 2.99 0.18 0.00 5.65 -1.26 -4.54 115.29 112.19 3khj s HIS 166 Ca -0.13 -2.56 -0.04 0.00 0.25 0.00 0.00 55.06 52.58 3khj s HIS 166 Cb 0.17 -2.48 0.09 0.00 -1.18 0.00 0.00 32.58 29.18 3khj s HIS 166 CO 0.80 -0.91 1.49 0.78 -0.65 0.00 0.00 174.74 176.25 3khj h GLY 167 N 7.72 0.64 -7.16 1.59 0.00 -1.56 -3.39 103.07 100.91 3khj h GLY 167 Ca -0.07 -0.75 -0.65 0.00 0.00 0.00 0.00 47.33 45.86 3khj h GLY 167 CO 0.51 0.67 2.37 1.57 0.00 0.00 0.00 176.54 181.66 3khj n HIS 168 N -3.96 3.91 -3.68 5.60 -0.00 -1.26 -4.63 115.22 111.19 3khj n HIS 168 Ca -0.03 -2.65 -0.14 0.00 0.46 0.00 0.00 57.72 55.36 3khj n HIS 168 Cb 0.61 -2.55 -0.07 0.00 -0.12 0.00 0.00 29.99 27.86 3khj n HIS 168 CO 0.00 0.00 0.00 -1.54 0.46 0.00 0.00 176.34 175.26 3khj s SER 169 N 4.23 -0.30 0.65 0.26 1.04 -1.26 -5.04 113.70 113.28 3khj s SER 169 Ca 0.54 0.12 0.43 0.00 0.48 0.00 0.00 55.95 57.51 3khj s SER 169 Cb 0.07 0.40 2.25 0.00 0.10 0.00 0.00 66.02 68.84 3khj s SER 169 CO 0.04 -0.58 2.31 0.17 0.98 0.00 0.00 173.24 176.15 3khj h LEU 170 N 3.30 0.00 -1.03 2.42 -0.00 -1.96 -1.17 115.31 116.86 3khj h LEU 170 Ca -0.30 0.00 -0.10 0.00 -0.00 0.00 0.00 57.88 57.48 3khj h LEU 170 Cb 1.19 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.83 3khj h LEU 170 CO 0.42 0.00 -0.42 0.78 -0.00 0.00 0.00 178.44 179.22 3khj h ASN 171 N 0.00 0.13 0.19 0.17 2.35 -1.96 -1.75 115.58 114.71 3khj h ASN 171 Ca 0.00 -0.05 -0.34 0.00 -0.55 0.00 0.00 56.30 55.35 3khj h ASN 171 Cb 0.09 -0.04 -0.06 0.00 0.05 0.00 0.00 38.32 38.37 3khj h ASN 171 CO 0.00 0.54 -2.10 -0.38 -1.65 0.00 0.00 177.43 173.84 3khj n ILE 172 N -4.02 1.54 -0.15 2.81 -0.00 -0.53 -3.42 119.36 115.59 3khj n ILE 172 Ca -0.02 -0.77 -0.07 0.00 -0.00 0.00 0.00 62.75 61.89 3khj n ILE 172 Cb 0.47 -0.97 0.08 0.00 -0.00 0.00 0.00 39.64 39.22 3khj n ILE 172 CO 0.00 0.00 0.00 0.40 -0.00 0.00 0.00 176.55 176.95 3khj h ILE 173 N 0.01 1.26 -0.42 1.39 2.04 -1.36 0.14 117.51 120.58 3khj h ILE 173 Ca -0.44 -1.16 -0.10 0.00 1.00 0.00 0.00 64.86 64.15 3khj h ILE 173 Cb 2.09 0.93 -0.02 0.00 -0.74 0.00 0.00 36.82 39.08 3khj h ILE 173 CO 0.04 0.41 -0.16 0.03 0.00 0.00 0.00 178.15 178.47 3khj h ARG 174 N 0.83 0.78 -0.60 2.37 3.08 -1.49 -2.32 114.38 117.04 3khj h ARG 174 Ca 0.14 -0.28 -0.07 0.00 0.07 0.00 0.00 59.98 59.84 3khj h ARG 174 Cb 0.58 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.55 3khj h ARG 174 CO 0.04 0.89 0.12 1.15 -1.07 0.00 0.00 179.97 181.10 3khj h THR 175 N 0.70 1.26 -0.47 2.04 2.02 -1.50 -1.66 112.91 115.29 3khj h THR 175 Ca 0.11 -0.96 0.03 0.00 0.77 0.00 0.00 66.41 66.35 3khj h THR 175 Cb 0.66 0.72 -0.03 0.00 -1.74 0.00 0.00 68.15 67.75 3khj h THR 175 CO 0.05 0.36 0.27 0.25 0.37 0.00 0.00 175.52 176.81 3khj h LEU 176 N 0.89 0.42 -0.63 2.58 6.46 -0.54 -2.46 115.31 122.04 3khj h LEU 176 Ca 0.19 0.01 -0.15 0.00 -0.12 0.00 0.00 57.88 57.81 3khj h LEU 176 Cb 0.39 -0.08 -0.01 0.00 -0.73 0.00 0.00 40.66 40.23 3khj h LEU 176 CO 0.01 0.30 -0.60 0.11 -0.62 0.00 0.00 178.44 177.64 3khj h LYS 177 N 0.54 0.28 0.00 1.25 1.57 -1.31 -1.48 116.57 117.42 3khj h LYS 177 Ca 0.19 -0.19 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3khj h LYS 177 Cb 0.04 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.38 3khj h LYS 177 CO -0.10 0.80 0.00 0.39 -0.57 0.00 0.00 179.45 179.97 3khj n GLU 178 N -3.88 0.14 -0.12 3.15 1.02 -0.63 -2.42 120.64 117.89 3khj n GLU 178 Ca -0.03 0.04 -0.18 0.00 -0.02 0.00 0.00 57.16 56.98 3khj n GLU 178 Cb 0.62 -1.50 -0.11 0.00 -0.02 0.00 0.00 31.44 30.43 3khj n GLU 178 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 3khj n ILE 179 N -1.42 1.40 0.17 -3.67 5.41 -0.94 -3.90 119.36 116.41 3khj n ILE 179 Ca 0.09 -0.52 0.04 0.00 1.00 0.00 0.00 62.75 63.36 3khj n ILE 179 Cb 0.27 -1.41 0.45 0.00 -0.71 0.00 0.00 39.64 38.24 3khj n ILE 179 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 176.55 177.05 3khj h LYS 180 N -0.10 0.11 0.09 0.38 1.63 -1.27 0.81 116.57 118.22 3khj h LYS 180 Ca -0.56 -0.02 -0.32 0.00 -0.85 0.00 0.00 60.65 58.90 3khj h LYS 180 Cb 1.82 -0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 33.41 3khj h LYS 180 CO -0.12 0.27 -1.73 0.66 -3.45 0.00 0.00 179.45 175.09 3khj h SER 181 N 0.10 0.31 0.07 4.20 4.64 -1.72 -3.39 113.55 117.76 3khj h SER 181 Ca 0.02 -0.55 -0.22 0.00 -0.47 0.00 0.00 61.79 60.57 3khj h SER 181 Cb 0.35 -0.10 0.02 0.00 -0.31 0.00 0.00 62.40 62.36 3khj h SER 181 CO 0.02 1.48 -0.91 0.50 -0.87 0.00 0.00 176.83 177.05 3khj h LYS 182 N 0.05 0.49 -5.20 4.77 3.64 -1.63 -3.48 116.57 115.21 3khj h LYS 182 Ca -0.31 -0.62 -0.37 0.00 -1.27 0.00 0.00 60.65 58.07 3khj h LYS 182 Cb 2.02 0.20 -0.14 0.00 -0.41 0.00 0.00 32.23 33.90 3khj h LYS 182 CO 0.12 1.25 -0.70 -1.64 -2.27 0.00 0.00 179.45 176.21 3khj s MET 183 N -2.97 1.20 -0.40 1.90 1.00 0.26 -5.08 119.30 115.21 3khj s MET 183 Ca -0.12 -1.55 -0.05 0.00 0.00 0.00 0.00 55.69 53.97 3khj s MET 183 Cb 0.04 -0.76 0.09 0.00 0.00 0.00 0.00 34.83 34.20 3khj s MET 183 CO 0.87 0.06 0.20 -0.80 0.00 0.00 0.00 175.02 175.36 3khj s ASN 184 N -3.24 5.36 -0.03 3.03 -0.87 -1.26 -4.35 114.94 113.57 3khj s ASN 184 Ca 0.21 -1.74 -0.30 0.00 -1.57 0.00 0.00 52.86 49.46 3khj s ASN 184 Cb 0.03 -1.88 0.07 0.00 -0.02 0.00 0.00 41.25 39.45 3khj s ASN 184 CO 0.04 -0.51 0.69 -0.51 -2.57 0.00 0.00 177.10 174.24 3khj s ILE 185 N 1.27 0.00 -0.02 0.60 1.10 -1.26 -5.14 121.20 117.75 3khj s ILE 185 Ca 0.04 0.00 -0.30 0.00 -0.51 0.00 0.00 60.65 59.88 3khj s ILE 185 Cb -0.23 -1.00 -0.05 0.00 0.15 0.00 0.00 42.46 41.33 3khj s ILE 185 CO -0.01 0.00 1.41 -1.81 -2.11 0.00 0.00 174.94 172.42 3khj s ASP 186 N -1.36 6.84 -0.21 4.50 1.01 -1.26 -4.97 116.67 121.22 3khj s ASP 186 Ca -0.09 2.09 -0.01 0.00 0.71 0.00 0.00 52.55 55.25 3khj s ASP 186 Cb -0.00 -2.56 0.02 0.00 1.01 0.00 0.00 42.92 41.39 3khj s ASP 186 CO 0.07 -0.74 -0.13 -0.69 0.21 0.00 0.00 175.17 173.89 3khj s VAL 187 N 2.63 2.53 -0.09 -1.27 1.01 -1.26 -1.35 120.40 122.61 3khj s VAL 187 Ca 0.64 -0.88 -0.21 0.00 0.00 0.00 0.00 61.98 61.53 3khj s VAL 187 Cb -0.31 -2.15 -0.04 0.00 0.00 0.00 0.00 36.38 33.88 3khj s VAL 187 CO 0.26 0.42 0.61 -0.63 0.00 0.00 0.00 175.10 175.76 3khj s ILE 188 N 1.33 5.10 -0.08 2.22 1.01 0.14 -2.18 121.20 128.75 3khj s ILE 188 Ca 0.04 1.25 0.03 0.00 0.00 0.00 0.00 60.65 61.96 3khj s ILE 188 Cb -0.14 -3.95 -0.02 0.00 0.01 0.00 0.00 42.46 38.36 3khj s ILE 188 CO -0.09 0.28 -0.16 -0.69 0.00 0.00 0.00 174.94 174.28 3khj s VAL 189 N 0.72 2.82 0.13 2.92 1.01 0.54 0.54 120.40 129.07 3khj s VAL 189 Ca 0.33 -0.78 -0.25 0.00 0.00 0.00 0.00 61.98 61.28 3khj s VAL 189 Cb -0.17 -2.12 0.08 0.00 0.00 0.00 0.00 36.38 34.18 3khj s VAL 189 CO 0.15 0.56 1.07 -0.83 0.00 0.00 0.00 175.10 176.05 3khj s GLY 190 N -0.21 -0.08 -0.12 4.51 0.00 -0.97 -0.39 107.32 110.06 3khj s GLY 190 Ca -0.00 -0.03 -0.05 0.00 0.00 0.00 0.00 44.72 44.64 3khj s GLY 190 CO 0.03 1.67 0.06 -1.31 0.00 0.00 0.00 173.10 173.56 3khj s ASN 191 N -3.25 5.73 0.38 1.64 -0.87 0.76 -1.11 114.94 118.22 3khj s ASN 191 Ca 0.19 0.25 0.06 0.00 -1.57 0.00 0.00 52.86 51.79 3khj s ASN 191 Cb -0.01 -1.79 -0.07 0.00 -0.02 0.00 0.00 41.25 39.35 3khj s ASN 191 CO 0.03 0.35 0.01 0.68 -2.57 0.00 0.00 177.10 175.59 3khj s VAL 192 N -0.67 1.80 0.00 1.60 -7.23 -0.90 -2.13 120.40 112.87 3khj s VAL 192 Ca 0.12 -2.03 0.00 0.00 -1.81 0.00 0.00 61.98 58.26 3khj s VAL 192 Cb -0.12 -2.89 0.00 0.00 0.56 0.00 0.00 36.38 33.94 3khj s VAL 192 CO 0.02 -0.04 0.00 1.33 -0.31 0.00 0.00 175.10 176.11 3khj n VAL 193 N -0.86 0.00 -3.61 1.32 0.24 -1.26 -1.87 118.33 112.28 3khj n VAL 193 Ca -0.04 0.00 -0.20 0.00 -2.04 0.00 0.00 64.34 62.05 3khj n VAL 193 Cb 0.66 -0.05 -0.01 0.00 -1.47 0.00 0.00 33.84 32.98 3khj n VAL 193 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 3khj s THR 194 N -0.90 4.57 0.20 3.34 -4.23 -1.26 -4.54 115.64 112.83 3khj s THR 194 Ca 0.00 -0.92 0.13 0.00 -1.18 0.00 0.00 61.69 59.71 3khj s THR 194 Cb 0.00 -3.61 0.00 0.00 1.34 0.00 0.00 72.50 70.23 3khj s THR 194 CO 0.00 -0.26 1.60 1.05 -0.54 0.00 0.00 174.62 176.47 3khj h GLU 195 N 0.95 0.00 -0.02 3.99 9.09 -1.94 -2.59 114.58 124.06 3khj h GLU 195 Ca -0.48 0.00 -0.08 0.00 0.05 0.00 0.00 59.36 58.84 3khj h GLU 195 Cb 1.24 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.33 3khj h GLU 195 CO 0.57 0.58 -0.39 0.93 0.05 0.00 0.00 179.01 180.75 3khj h GLU 196 N 0.00 0.03 0.00 1.06 3.07 -1.95 -2.51 114.58 114.29 3khj h GLU 196 Ca -0.01 -0.01 -0.00 0.00 -0.50 0.00 0.00 59.36 58.84 3khj h GLU 196 Cb 1.13 -0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.04 3khj h GLU 196 CO 0.08 0.41 -0.00 0.00 -1.40 0.00 0.00 179.01 178.10 3khj h ALA 197 N 1.59 -0.01 -0.00 3.43 0.00 -1.93 -3.06 119.26 119.28 3khj h ALA 197 Ca -0.00 -0.39 -0.07 0.00 0.00 0.00 0.00 54.91 54.46 3khj h ALA 197 Cb 0.70 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 3khj h ALA 197 CO 0.05 -0.11 -0.32 0.00 0.00 0.00 0.00 179.25 178.87 3khj h THR 198 N -0.79 1.23 -0.27 0.00 1.03 -1.49 -2.64 112.91 109.98 3khj h THR 198 Ca -0.00 -1.09 -0.13 0.00 -0.01 0.00 0.00 66.41 65.18 3khj h THR 198 Cb 0.77 1.58 -0.00 0.00 -1.07 0.00 0.00 68.15 69.43 3khj h THR 198 CO 0.00 0.31 -0.36 0.50 -0.01 0.00 0.00 175.52 175.97 3khj h LYS 199 N 0.00 0.71 -0.78 0.00 3.64 -1.56 -2.83 116.57 115.76 3khj h LYS 199 Ca -0.00 -0.41 0.00 0.00 -1.27 0.00 0.00 60.65 58.97 3khj h LYS 199 Cb 0.56 0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 32.38 3khj h LYS 199 CO 0.04 1.03 0.49 1.49 -2.27 0.00 0.00 179.45 180.23 3khj h GLU 200 N 0.45 1.04 -0.10 1.90 4.57 -1.38 -1.79 114.58 119.27 3khj h GLU 200 Ca 0.03 -0.08 -0.10 0.00 -1.18 0.00 0.00 59.36 58.03 3khj h GLU 200 Cb 0.94 -0.23 0.00 0.00 -0.16 0.00 0.00 28.75 29.31 3khj h GLU 200 CO 0.08 0.71 -0.34 -0.07 -1.18 0.00 0.00 179.01 178.22 3khj h LEU 201 N 1.06 0.47 -0.55 1.64 3.38 -1.48 -2.74 115.31 117.09 3khj h LEU 201 Ca 0.28 -0.62 -0.04 0.00 0.09 0.00 0.00 57.88 57.59 3khj h LEU 201 Cb -0.07 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 3khj h LEU 201 CO -0.06 1.00 0.17 0.40 0.09 0.00 0.00 178.44 180.05 3khj h ILE 202 N -0.04 1.24 -0.21 1.22 2.04 -1.41 -1.06 117.51 119.28 3khj h ILE 202 Ca -0.01 -0.79 -0.01 0.00 1.00 0.00 0.00 64.86 65.04 3khj h ILE 202 Cb 0.97 0.72 -0.01 0.00 -0.74 0.00 0.00 36.82 37.75 3khj h ILE 202 CO 0.07 0.30 0.06 -0.33 0.00 0.00 0.00 178.15 178.25 3khj h GLU 203 N 0.76 0.29 -0.63 2.37 5.08 -1.39 -1.69 114.58 119.37 3khj h GLU 203 Ca 0.18 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 3khj h GLU 203 Cb 0.28 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.47 3khj h GLU 203 CO -0.01 0.26 0.00 0.09 -1.00 0.00 0.00 179.01 178.35 3khj n ASN 204 N -4.43 3.83 -0.34 1.42 5.03 -0.99 -4.94 115.26 114.85 3khj n ASN 204 Ca 0.00 -2.36 0.00 0.00 0.87 0.00 0.00 54.58 53.09 3khj n ASN 204 Cb 0.13 -0.51 0.00 0.00 -1.02 0.00 0.00 39.78 38.38 3khj n ASN 204 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3khj n GLY 205 N 0.93 0.64 3.81 7.41 0.00 -0.64 -4.71 105.19 112.64 3khj n GLY 205 Ca 0.20 -0.22 -0.38 0.00 0.00 0.00 0.00 46.02 45.62 3khj n GLY 205 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3khj s ALA 206 N -2.01 3.51 -0.08 4.61 0.00 -0.47 -4.90 121.76 122.43 3khj s ALA 206 Ca 0.00 0.11 0.17 0.00 0.00 0.00 0.00 51.96 52.24 3khj s ALA 206 Cb 0.00 -2.73 -0.26 0.00 0.00 0.00 0.00 23.12 20.13 3khj s ALA 206 CO 0.00 0.37 0.39 -0.25 0.00 0.00 0.00 175.76 176.27 3khj n ASP 207 N 1.29 1.11 -3.63 0.00 8.00 -0.93 -4.76 116.55 117.64 3khj n ASP 207 Ca -0.07 -0.06 -0.15 0.00 0.71 0.00 0.00 54.79 55.22 3khj n ASP 207 Cb 0.51 1.72 -0.07 0.00 -0.02 0.00 0.00 41.12 43.25 3khj n ASP 207 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 3khj s GLY 208 N -3.85 -0.45 -0.12 0.44 0.00 -1.10 -1.93 107.32 100.31 3khj s GLY 208 Ca -0.05 1.30 0.01 0.00 0.00 0.00 0.00 44.72 45.98 3khj s GLY 208 CO 0.70 1.02 -0.14 -0.42 0.00 0.00 0.00 173.10 174.26 3khj s ILE 209 N -0.56 1.47 -0.29 0.90 1.01 -1.05 -0.34 121.20 122.34 3khj s ILE 209 Ca -0.07 -0.60 -0.15 0.00 0.00 0.00 0.00 60.65 59.83 3khj s ILE 209 Cb -0.03 -1.37 -0.03 0.00 0.01 0.00 0.00 42.46 41.05 3khj s ILE 209 CO 0.05 0.44 0.37 -0.75 0.00 0.00 0.00 174.94 175.04 3khj s LYS 210 N 1.20 3.89 -0.16 2.79 2.20 0.47 -0.06 119.74 130.08 3khj s LYS 210 Ca -0.02 -0.10 -0.04 0.00 -0.36 0.00 0.00 55.97 55.45 3khj s LYS 210 Cb -0.14 -3.70 -0.03 0.00 -1.51 0.00 0.00 37.83 32.45 3khj s LYS 210 CO -0.05 -0.35 -0.03 0.54 -0.36 0.00 0.00 175.35 175.11 3khj s VAL 211 N 2.06 3.99 0.00 4.02 0.11 0.64 -2.12 120.40 129.10 3khj s VAL 211 Ca 0.14 -0.32 0.00 0.00 -2.93 0.00 0.00 61.98 58.86 3khj s VAL 211 Cb -0.16 -2.75 0.00 0.00 -1.53 0.00 0.00 36.38 31.94 3khj s VAL 211 CO 0.11 0.49 0.00 0.61 -3.33 0.00 0.00 175.10 172.98 3khj n GLY 212 N 3.48 1.10 3.05 6.54 0.00 -0.78 -1.07 105.19 117.51 3khj n GLY 212 Ca -0.17 0.24 -0.31 0.00 0.00 0.00 0.00 46.02 45.77 3khj n GLY 212 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3khj s ILE 213 N 0.00 1.80 0.00 -0.61 1.01 -1.26 -4.77 121.20 117.37 3khj s ILE 213 Ca 0.00 -0.90 0.00 0.00 0.00 0.00 0.00 60.65 59.75 3khj s ILE 213 Cb 0.00 -1.72 0.00 0.00 0.01 0.00 0.00 42.46 40.75 3khj s ILE 213 CO 0.00 0.38 0.00 0.61 0.00 0.00 0.00 174.94 175.93 3khj n GLY 214 N 4.67 2.94 3.76 6.18 0.00 -1.26 -1.39 105.19 120.09 3khj n GLY 214 Ca -0.18 -0.82 -0.32 0.00 0.00 0.00 0.00 46.02 44.71 3khj n GLY 214 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3khj s PRO 215 N 0.00 2.43 0.00 1.61 0.04 -1.26 -4.73 135.00 133.08 3khj s PRO 215 Ca 0.00 1.32 0.00 0.00 0.04 0.00 0.00 61.00 62.36 3khj s PRO 215 Cb 0.00 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.63 3khj s PRO 215 CO 0.00 -1.53 0.00 0.41 0.04 0.00 0.00 177.00 175.92 3khj n GLY 216 N -0.75 3.35 0.44 0.56 0.00 -1.26 -4.57 105.19 102.96 3khj n GLY 216 Ca 0.10 -0.67 0.25 0.00 0.00 0.00 0.00 46.02 45.70 3khj n GLY 216 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3khj h SER 217 N 0.00 0.24 -0.16 1.61 4.64 -1.94 0.12 113.55 118.05 3khj h SER 217 Ca 0.00 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 3khj h SER 217 Cb 0.00 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.08 3khj h SER 217 CO 0.00 0.07 0.00 2.30 -0.87 0.00 0.00 176.83 178.33 3khj n ILE 218 N -4.42 0.25 -2.52 0.95 -6.64 -1.26 -4.98 119.36 100.73 3khj n ILE 218 Ca 0.21 -0.62 -0.41 0.00 -1.77 0.00 0.00 62.75 60.15 3khj n ILE 218 Cb 0.88 1.17 -0.04 0.00 -1.44 0.00 0.00 39.64 40.21 3khj n ILE 218 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 3khj n THR 220 N 3.10 1.51 -0.28 0.00 -2.24 -0.10 -4.78 114.28 111.49 3khj n THR 220 Ca 0.05 -1.85 0.02 0.00 -2.27 0.00 0.00 64.05 60.00 3khj n THR 220 Cb 0.47 -0.08 0.23 0.00 -2.10 0.00 0.00 70.33 68.85 3khj n THR 220 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 3khj h THR 221 N 1.52 1.13 -0.56 4.28 2.02 -1.87 0.44 112.91 119.87 3khj h THR 221 Ca -0.00 -0.36 0.02 0.00 0.77 0.00 0.00 66.41 66.83 3khj h THR 221 Cb 1.09 -0.02 -0.03 0.00 -1.74 0.00 0.00 68.15 67.45 3khj h THR 221 CO 0.00 0.19 0.37 0.03 0.37 0.00 0.00 175.52 176.49 3khj h ARG 222 N 1.06 0.69 0.04 6.66 3.08 -1.85 0.42 114.38 124.47 3khj h ARG 222 Ca 0.35 -0.04 -0.20 0.00 0.07 0.00 0.00 59.98 60.16 3khj h ARG 222 Cb 0.06 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 29.94 3khj h ARG 222 CO -0.11 0.45 -1.05 0.82 -1.07 0.00 0.00 179.97 179.02 3khj h ILE 223 N 0.71 1.15 0.06 2.04 2.04 -1.56 -3.04 117.51 118.90 3khj h ILE 223 Ca 0.22 -2.30 -0.00 0.00 1.00 0.00 0.00 64.86 63.78 3khj h ILE 223 Cb -0.00 2.66 0.00 0.00 -0.74 0.00 0.00 36.82 38.74 3khj h ILE 223 CO -0.05 0.53 -0.03 0.58 0.00 0.00 0.00 178.15 179.18 3khj h VAL 224 N -0.74 1.28 0.00 1.67 2.07 -0.17 -3.37 116.25 116.99 3khj h VAL 224 Ca -0.26 -1.48 -0.25 0.00 0.82 0.00 0.00 66.70 65.53 3khj h VAL 224 Cb 1.41 2.20 -0.05 0.00 -1.52 0.00 0.00 31.29 33.33 3khj h VAL 224 CO -0.06 0.35 -1.95 0.00 0.02 0.00 0.00 177.57 175.93 3khj n ALA 225 N -2.51 1.81 -1.30 1.67 0.00 0.01 -4.98 120.51 115.21 3khj n ALA 225 Ca -0.08 -0.90 -0.02 0.00 0.00 0.00 0.00 53.44 52.43 3khj n ALA 225 Cb 0.31 -0.59 -0.01 0.00 0.00 0.00 0.00 19.45 19.16 3khj n ALA 225 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3khj n GLY 226 N 1.55 0.48 3.41 0.00 0.00 -0.45 -5.01 105.19 105.16 3khj n GLY 226 Ca -0.20 -0.95 -0.32 0.00 0.00 0.00 0.00 46.02 44.56 3khj n GLY 226 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3khj s VAL 227 N -2.08 2.67 0.00 1.61 1.01 -1.19 -4.95 120.40 117.47 3khj s VAL 227 Ca 0.00 -0.89 0.00 0.00 0.00 0.00 0.00 61.98 61.09 3khj s VAL 227 Cb 0.00 -2.01 0.00 0.00 0.00 0.00 0.00 36.38 34.37 3khj s VAL 227 CO 0.00 0.58 0.00 0.61 0.00 0.00 0.00 175.10 176.29 3khj n GLY 228 N 2.32 3.21 2.98 4.51 0.00 -1.26 -3.59 105.19 113.36 3khj n GLY 228 Ca -0.17 -0.88 -0.27 0.00 0.00 0.00 0.00 46.02 44.70 3khj n GLY 228 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3khj s VAL 229 N -2.00 1.25 0.26 1.61 1.01 -0.49 -4.98 120.40 117.06 3khj s VAL 229 Ca 0.00 -0.47 -0.30 0.00 0.00 0.00 0.00 61.98 61.22 3khj s VAL 229 Cb 0.00 -1.19 -0.14 0.00 0.00 0.00 0.00 36.38 35.05 3khj s VAL 229 CO 0.00 0.40 1.09 -2.65 0.00 0.00 0.00 175.10 173.94 3khj n PRO 230 N 4.51 1.39 -0.26 2.72 -0.02 -1.26 -4.62 135.00 137.47 3khj n PRO 230 Ca -0.17 0.49 -0.01 0.00 -2.02 0.00 0.00 63.50 61.79 3khj n PRO 230 Cb 0.51 -1.93 0.11 0.00 -0.02 0.00 0.00 33.50 32.17 3khj n PRO 230 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 3khj h GLN 231 N 2.57 0.76 -0.79 -0.52 5.75 -1.92 -1.49 115.11 119.46 3khj h GLN 231 Ca -0.41 -0.05 -0.01 0.00 -0.15 0.00 0.00 58.65 58.03 3khj h GLN 231 Cb 1.33 -0.17 -0.04 0.00 1.07 0.00 0.00 27.48 29.67 3khj h GLN 231 CO 0.64 0.50 0.45 0.82 -2.65 0.00 0.00 178.83 178.60 3khj h ILE 232 N 0.78 1.23 -0.27 2.39 1.08 -1.55 -1.32 117.51 119.85 3khj h ILE 232 Ca 0.32 -0.55 -0.19 0.00 -0.39 0.00 0.00 64.86 64.05 3khj h ILE 232 Cb 0.18 0.15 0.00 0.00 -3.07 0.00 0.00 36.82 34.08 3khj h ILE 232 CO -0.18 0.25 -0.57 0.74 -0.69 0.00 0.00 178.15 177.70 3khj h THR 233 N 1.10 1.28 -0.39 -0.27 2.02 -1.09 -2.21 112.91 113.34 3khj h THR 233 Ca 0.28 -1.76 -0.00 0.00 0.77 0.00 0.00 66.41 65.70 3khj h THR 233 Cb 0.00 1.67 -0.02 0.00 -1.74 0.00 0.00 68.15 68.07 3khj h THR 233 CO -0.05 0.57 0.24 0.00 0.37 0.00 0.00 175.52 176.66 3khj h ALA 234 N 0.69 0.50 -0.39 6.16 0.00 -1.02 0.17 119.26 125.37 3khj h ALA 234 Ca 0.01 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 3khj h ALA 234 Cb 1.18 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 3khj h ALA 234 CO 0.13 -0.01 0.10 0.82 0.00 0.00 0.00 179.25 180.28 3khj h ILE 235 N 0.52 1.22 -0.86 0.00 2.04 -1.30 -2.70 117.51 116.44 3khj h ILE 235 Ca 0.14 -0.76 -0.01 0.00 1.00 0.00 0.00 64.86 65.23 3khj h ILE 235 Cb -0.01 0.98 -0.04 0.00 -0.74 0.00 0.00 36.82 37.01 3khj h ILE 235 CO -0.03 0.26 0.49 -0.08 0.00 0.00 0.00 178.15 178.80 3khj h GLU 236 N 0.49 1.18 -0.57 2.37 4.81 -1.07 0.14 114.58 121.92 3khj h GLU 236 Ca 0.12 -0.12 -0.09 0.00 -0.13 0.00 0.00 59.36 59.14 3khj h GLU 236 Cb 0.30 -0.24 -0.02 0.00 0.63 0.00 0.00 28.75 29.42 3khj h GLU 236 CO 0.00 0.84 -0.00 0.87 -0.73 0.00 0.00 179.01 179.99 3khj h LYS 237 N 1.19 0.99 0.00 1.92 1.57 -0.64 -3.12 116.57 118.48 3khj h LYS 237 Ca 0.30 -0.30 -0.04 0.00 -1.87 0.00 0.00 60.65 58.74 3khj h LYS 237 Cb -0.01 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.20 3khj h LYS 237 CO -0.05 0.98 -0.32 0.00 -0.57 0.00 0.00 179.45 179.48 3khj n SER 239 N -3.08 0.96 -0.13 0.00 7.64 0.45 -1.58 113.62 117.87 3khj n SER 239 Ca 0.02 -1.45 0.11 0.00 1.01 0.00 0.00 58.87 58.57 3khj n SER 239 Cb 0.61 -0.03 0.07 0.00 -1.01 0.00 0.00 64.21 63.85 3khj n SER 239 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 3khj n SER 240 N -0.20 1.08 -0.04 6.43 3.41 -1.20 -3.84 113.62 119.26 3khj n SER 240 Ca 0.18 -0.89 -0.06 0.00 -0.26 0.00 0.00 58.87 57.83 3khj n SER 240 Cb 0.24 0.58 -0.03 0.00 -0.26 0.00 0.00 64.21 64.74 3khj n SER 240 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 3khj n VAL 241 N -1.09 0.41 0.27 -3.33 0.31 -1.17 -4.64 118.33 109.08 3khj n VAL 241 Ca 0.07 -0.13 0.16 0.00 -0.01 0.00 0.00 64.34 64.42 3khj n VAL 241 Cb 0.36 -1.14 0.64 0.00 -0.91 0.00 0.00 33.84 32.80 3khj n VAL 241 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3khj h ALA 242 N -0.12 1.02 0.00 3.52 0.00 -1.51 -2.41 119.26 119.75 3khj h ALA 242 Ca -0.17 -0.05 -0.16 0.00 0.00 0.00 0.00 54.91 54.53 3khj h ALA 242 Cb 1.21 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.97 3khj h ALA 242 CO -0.07 0.07 -0.75 0.77 0.00 0.00 0.00 179.25 179.27 3khj h SER 243 N 0.00 0.00 0.22 0.00 0.02 -1.80 -3.16 113.55 108.83 3khj h SER 243 Ca -0.00 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 60.85 3khj h SER 243 Cb 0.55 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.08 3khj h SER 243 CO 0.01 0.75 -0.38 0.11 -1.14 0.00 0.00 176.83 176.17 3khj h LYS 244 N 0.00 0.23 0.00 3.45 1.57 -1.69 -3.44 116.57 116.68 3khj h LYS 244 Ca -0.01 -0.10 -0.23 0.00 -1.87 0.00 0.00 60.65 58.44 3khj h LYS 244 Cb 1.33 -0.01 0.01 0.00 0.08 0.00 0.00 32.23 33.65 3khj h LYS 244 CO 0.10 0.58 -0.03 1.19 -0.57 0.00 0.00 179.45 180.72 3khj n PHE 245 N -4.05 -2.67 -1.50 -1.35 3.01 -1.20 -5.03 117.46 104.67 3khj n PHE 245 Ca -0.01 -1.00 -0.36 0.00 1.01 0.00 0.00 57.45 57.09 3khj n PHE 245 Cb 0.46 -0.26 0.06 0.00 -0.01 0.00 0.00 39.48 39.73 3khj n PHE 245 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3khj n GLY 246 N 1.66 5.69 3.30 1.37 0.00 -1.26 -4.91 105.19 111.05 3khj n GLY 246 Ca 0.08 -2.32 -0.35 0.00 0.00 0.00 0.00 46.02 43.43 3khj n GLY 246 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3khj s ILE 247 N -4.79 3.44 0.52 -0.61 -1.09 -1.20 -4.51 121.20 112.97 3khj s ILE 247 Ca 0.60 -0.60 -0.20 0.00 -2.23 0.00 0.00 60.65 58.22 3khj s ILE 247 Cb 0.48 -2.64 -0.07 0.00 -1.58 0.00 0.00 42.46 38.65 3khj s ILE 247 CO -0.14 0.32 1.09 -2.84 -1.23 0.00 0.00 174.94 172.14 3khj s PRO 248 N 1.46 3.54 -0.17 2.79 0.02 -1.26 -4.57 135.00 136.81 3khj s PRO 248 Ca 0.04 1.50 -0.06 0.00 0.02 0.00 0.00 61.00 62.51 3khj s PRO 248 Cb -0.15 -2.04 -0.03 0.00 0.02 0.00 0.00 34.50 32.29 3khj s PRO 248 CO -0.02 -0.67 0.01 0.42 -0.33 0.00 0.00 177.00 176.41 3khj s ILE 249 N -1.87 4.35 -0.31 2.83 -1.09 -1.26 -2.54 121.20 121.31 3khj s ILE 249 Ca 0.70 -0.19 -0.10 0.00 -2.23 0.00 0.00 60.65 58.83 3khj s ILE 249 Cb -0.21 -2.93 -0.01 0.00 -1.58 0.00 0.00 42.46 37.73 3khj s ILE 249 CO 0.24 0.48 0.15 -0.63 -1.23 0.00 0.00 174.94 173.95 3khj s ILE 250 N 0.36 4.64 -0.27 2.92 1.09 0.91 -0.10 121.20 130.75 3khj s ILE 250 Ca -0.01 -0.37 -0.27 0.00 -1.10 0.00 0.00 60.65 58.90 3khj s ILE 250 Cb -0.13 -3.34 0.01 0.00 -1.06 0.00 0.00 42.46 37.93 3khj s ILE 250 CO 0.02 0.09 0.96 0.00 -0.10 0.00 0.00 174.94 175.91 3khj s ALA 251 N 1.62 3.61 -0.20 9.38 0.00 -0.14 -0.26 121.76 135.77 3khj s ALA 251 Ca 0.05 -0.04 -0.02 0.00 0.00 0.00 0.00 51.96 51.94 3khj s ALA 251 Cb -0.17 -3.48 -0.00 0.00 0.00 0.00 0.00 23.12 19.47 3khj s ALA 251 CO 0.06 -1.15 -0.10 0.34 0.00 0.00 0.00 175.76 174.92 3khj s ASP 252 N 1.41 3.93 0.04 0.00 2.15 -0.23 0.55 116.67 124.52 3khj s ASP 252 Ca 0.40 -0.46 0.00 0.00 0.43 0.00 0.00 52.55 52.92 3khj s ASP 252 Cb -0.14 -1.65 0.00 0.00 -0.30 0.00 0.00 42.92 40.83 3khj s ASP 252 CO 0.10 0.00 0.00 0.61 -0.17 0.00 0.00 175.17 175.71 3khj n GLY 253 N 4.62 -2.79 0.09 2.66 0.00 -1.21 -4.47 105.19 104.09 3khj n GLY 253 Ca -0.19 -1.33 0.00 0.00 0.00 0.00 0.00 46.02 44.50 3khj n GLY 253 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3khj n GLY 254 N -1.83 1.50 3.63 -0.02 0.00 -1.26 -4.58 105.19 102.63 3khj n GLY 254 Ca -0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 3khj n GLY 254 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3khj s ILE 255 N -2.41 4.05 -0.04 -0.61 -1.09 -1.26 -4.83 121.20 115.01 3khj s ILE 255 Ca 0.00 1.20 0.05 0.00 -2.23 0.00 0.00 60.65 59.67 3khj s ILE 255 Cb 0.00 -4.03 -0.07 0.00 -1.58 0.00 0.00 42.46 36.78 3khj s ILE 255 CO 0.00 -0.39 0.04 0.54 -1.23 0.00 0.00 174.94 173.91 3khj n ARG 256 N 7.30 2.44 -4.25 2.79 1.74 -1.26 -4.74 116.66 120.68 3khj n ARG 256 Ca 0.16 -0.01 -0.14 0.00 -0.77 0.00 0.00 57.85 57.08 3khj n ARG 256 Cb 0.46 -1.13 -0.10 0.00 -1.02 0.00 0.00 32.46 30.67 3khj n ARG 256 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 3khj s TYR 257 N -2.19 1.24 0.46 -1.55 2.02 -1.26 -5.00 117.35 111.07 3khj s TYR 257 Ca -0.02 -1.02 0.28 0.00 -0.37 0.00 0.00 57.07 55.94 3khj s TYR 257 Cb 0.02 -0.70 1.56 0.00 -0.40 0.00 0.00 41.96 42.44 3khj s TYR 257 CO 0.22 -0.21 2.12 0.66 -1.57 0.00 0.00 175.55 176.77 3khj h SER 258 N 2.67 0.00 0.64 2.29 4.64 -1.91 -2.33 113.55 119.56 3khj h SER 258 Ca -0.37 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 60.86 3khj h SER 258 Cb 1.21 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.28 3khj h SER 258 CO 0.63 0.09 -0.45 1.23 -0.87 0.00 0.00 176.83 177.45 3khj h GLY 259 N 0.63 0.00 1.75 -0.77 0.00 -1.92 -3.07 103.07 99.69 3khj h GLY 259 Ca -0.00 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.22 3khj h GLY 259 CO 0.01 0.00 -0.39 -0.55 0.00 0.00 0.00 176.54 175.61 3khj h ASP 260 N 0.00 0.29 -0.23 0.19 3.32 -1.83 -1.51 116.42 116.64 3khj h ASP 260 Ca -0.00 -0.12 -0.00 0.00 0.02 0.00 0.00 57.03 56.92 3khj h ASP 260 Cb 0.90 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 40.35 3khj h ASP 260 CO 0.06 0.66 0.13 0.40 -1.72 0.00 0.00 179.24 178.77 3khj h ILE 261 N 0.24 1.11 -0.75 0.35 2.04 -1.61 -0.41 117.51 118.47 3khj h ILE 261 Ca 0.02 -0.30 0.09 0.00 1.00 0.00 0.00 64.86 65.67 3khj h ILE 261 Cb 0.80 0.89 -0.07 0.00 -0.74 0.00 0.00 36.82 37.70 3khj h ILE 261 CO 0.06 0.11 0.41 1.23 0.00 0.00 0.00 178.15 179.96 3khj h GLY 262 N 0.27 1.14 0.76 5.37 0.00 -1.45 -1.80 103.07 107.36 3khj h GLY 262 Ca 0.08 -0.27 -0.00 0.00 0.00 0.00 0.00 47.33 47.14 3khj h GLY 262 CO -0.01 0.11 0.01 0.50 0.00 0.00 0.00 176.54 177.14 3khj h LYS 263 N 0.71 0.06 -0.57 4.80 1.57 -1.04 -2.32 116.57 119.77 3khj h LYS 263 Ca 0.36 -0.02 0.02 0.00 -1.87 0.00 0.00 60.65 59.15 3khj h LYS 263 Cb 0.32 -0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.59 3khj h LYS 263 CO -0.24 0.30 0.35 0.00 -0.57 0.00 0.00 179.45 179.29 3khj h ALA 264 N 0.75 0.73 -0.39 3.86 0.00 -0.85 -2.27 119.26 121.09 3khj h ALA 264 Ca 0.01 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.78 3khj h ALA 264 Cb 0.27 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 3khj h ALA 264 CO 0.00 0.08 -0.24 -0.07 0.00 0.00 0.00 179.25 179.02 3khj h LEU 265 N 0.69 0.89 -1.25 0.00 3.38 -1.38 -2.62 115.31 115.03 3khj h LEU 265 Ca 0.23 -0.42 -0.06 0.00 0.09 0.00 0.00 57.88 57.71 3khj h LEU 265 Cb 0.01 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 3khj h LEU 265 CO -0.09 1.12 -0.16 0.00 0.09 0.00 0.00 178.44 179.40 3khj h ALA 266 N 0.80 1.38 -0.02 1.53 0.00 -1.21 -2.79 119.26 118.95 3khj h ALA 266 Ca 0.08 -0.25 -0.13 0.00 0.00 0.00 0.00 54.91 54.61 3khj h ALA 266 Cb 0.81 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 3khj h ALA 266 CO 0.07 0.42 -0.59 0.28 0.00 0.00 0.00 179.25 179.43 3khj h VAL 267 N 0.29 1.41 0.00 0.00 2.07 -1.41 -3.42 116.25 115.20 3khj h VAL 267 Ca 0.05 -2.01 0.00 0.00 0.82 0.00 0.00 66.70 65.56 3khj h VAL 267 Cb 0.47 2.07 0.00 0.00 -1.52 0.00 0.00 31.29 32.30 3khj h VAL 267 CO 0.03 0.58 0.00 0.61 0.02 0.00 0.00 177.57 178.81 3khj n GLY 268 N 0.20 0.01 3.78 2.17 0.00 -1.06 -4.65 105.19 105.64 3khj n GLY 268 Ca -0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.63 3khj n GLY 268 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3khj s ALA 269 N 0.00 3.07 -0.11 4.61 0.00 -0.99 -4.61 121.76 123.73 3khj s ALA 269 Ca 0.00 0.83 -0.06 0.00 0.00 0.00 0.00 51.96 52.73 3khj s ALA 269 Cb 0.00 -3.33 -0.26 0.00 0.00 0.00 0.00 23.12 19.53 3khj s ALA 269 CO 0.00 -0.42 0.40 0.77 0.00 0.00 0.00 175.76 176.52 3khj h SER 270 N 2.42 0.41 -4.99 0.00 0.02 -0.81 -3.40 113.55 107.20 3khj h SER 270 Ca -0.49 -0.91 -0.26 0.00 -0.84 0.00 0.00 61.79 59.29 3khj h SER 270 Cb 1.23 -0.13 -0.15 0.00 0.14 0.00 0.00 62.40 63.49 3khj h SER 270 CO 0.62 1.81 -0.64 -0.94 -1.14 0.00 0.00 176.83 176.54 3khj s SER 271 N -7.01 0.73 0.01 3.07 1.04 -0.92 -4.67 113.70 105.95 3khj s SER 271 Ca -0.21 -1.28 0.04 0.00 0.48 0.00 0.00 55.95 54.98 3khj s SER 271 Cb 0.07 0.23 -0.01 0.00 0.10 0.00 0.00 66.02 66.41 3khj s SER 271 CO 0.78 -0.71 -0.12 0.54 0.98 0.00 0.00 173.24 174.71 3khj s VAL 272 N -3.90 0.92 -0.15 5.02 0.11 0.28 -0.97 120.40 121.72 3khj s VAL 272 Ca 0.30 -0.65 -0.05 0.00 -2.93 0.00 0.00 61.98 58.65 3khj s VAL 272 Cb 0.07 -0.80 -0.04 0.00 -1.53 0.00 0.00 36.38 34.08 3khj s VAL 272 CO 0.07 0.15 0.03 -0.32 -3.33 0.00 0.00 175.10 171.70 3khj s MET 273 N -0.58 3.64 -0.05 1.54 1.75 0.19 -0.54 119.30 125.25 3khj s MET 273 Ca 0.03 -0.38 0.02 0.00 -1.25 0.00 0.00 55.69 54.11 3khj s MET 273 Cb -0.06 -3.05 0.01 0.00 2.84 0.00 0.00 34.83 34.58 3khj s MET 273 CO 0.00 0.41 -0.10 0.42 -0.65 0.00 0.00 175.02 175.10 3khj s ILE 274 N -0.04 0.94 0.08 10.11 1.01 -0.17 -3.31 121.20 129.82 3khj s ILE 274 Ca 0.05 -0.40 -0.00 0.00 0.00 0.00 0.00 60.65 60.30 3khj s ILE 274 Cb -0.12 -0.86 -0.00 0.00 0.01 0.00 0.00 42.46 41.48 3khj s ILE 274 CO 0.01 0.30 -0.01 0.61 0.00 0.00 0.00 174.94 175.86 3khj n GLY 275 N 3.65 -0.04 0.33 6.18 0.00 -1.26 -2.13 105.19 111.91 3khj n GLY 275 Ca -0.22 -0.01 0.02 0.00 0.00 0.00 0.00 46.02 45.81 3khj n GLY 275 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3khj h SER 276 N -0.02 0.68 1.25 1.61 4.64 -1.97 -2.02 113.55 117.71 3khj h SER 276 Ca 0.00 -0.03 -0.04 0.00 -0.47 0.00 0.00 61.79 61.25 3khj h SER 276 Cb 0.02 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 61.94 3khj h SER 276 CO 0.00 0.51 -0.20 0.40 -0.87 0.00 0.00 176.83 176.68 3khj h ILE 277 N 0.79 0.41 -0.53 0.95 2.04 -1.89 -2.89 117.51 116.39 3khj h ILE 277 Ca 0.21 -1.20 0.00 0.00 1.00 0.00 0.00 64.86 64.87 3khj h ILE 277 Cb -0.04 1.89 0.00 0.00 -0.74 0.00 0.00 36.82 37.92 3khj h ILE 277 CO -0.04 0.19 0.00 0.18 0.00 0.00 0.00 178.15 178.48 3khj n LEU 278 N -3.25 4.48 0.01 1.44 4.77 -0.81 -4.60 117.00 119.03 3khj n LEU 278 Ca 0.01 -2.55 -0.20 0.00 -0.03 0.00 0.00 56.01 53.24 3khj n LEU 278 Cb 0.48 -0.54 -0.14 0.00 -2.33 0.00 0.00 43.42 40.90 3khj n LEU 278 CO 0.34 0.76 -0.13 0.00 -1.33 0.00 0.00 177.39 177.03 3khj h ALA 279 N 3.37 0.05 -0.35 -1.18 0.00 -1.21 -3.35 119.26 116.59 3khj h ALA 279 Ca 0.00 -0.85 -0.01 0.00 0.00 0.00 0.00 54.91 54.04 3khj h ALA 279 Cb 1.42 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 19.48 3khj h ALA 279 CO 0.23 0.52 0.01 0.41 0.00 0.00 0.00 179.25 180.42 3khj n GLY 280 N 1.67 2.42 3.88 0.00 0.00 -1.26 -4.82 105.19 107.07 3khj n GLY 280 Ca -0.19 -0.55 -0.31 0.00 0.00 0.00 0.00 46.02 44.98 3khj n GLY 280 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3khj s THR 281 N -2.04 4.90 0.44 2.61 -4.23 -1.26 -0.01 115.64 116.06 3khj s THR 281 Ca 0.32 0.45 0.14 0.00 -1.18 0.00 0.00 61.69 61.42 3khj s THR 281 Cb 0.25 -3.67 0.32 0.00 1.34 0.00 0.00 72.50 70.74 3khj s THR 281 CO 0.09 -0.23 2.00 -0.08 -0.54 0.00 0.00 174.62 175.87 3khj h GLU 282 N 2.06 0.36 -0.52 3.99 4.57 -1.64 -2.37 114.58 121.02 3khj h GLU 282 Ca -0.47 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 57.69 3khj h GLU 282 Cb 1.18 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 29.69 3khj h GLU 282 CO 0.67 0.24 0.00 0.39 -1.18 0.00 0.00 179.01 179.13 3khj n GLU 283 N -4.47 1.98 -3.41 1.92 4.71 -1.26 -4.87 120.64 115.24 3khj n GLU 283 Ca 0.08 -1.05 -0.36 0.00 -0.01 0.00 0.00 57.16 55.81 3khj n GLU 283 Cb 0.33 -1.46 -0.06 0.00 -1.01 0.00 0.00 31.44 29.24 3khj n GLU 283 CO 0.00 0.00 0.00 -1.54 0.09 0.00 0.00 177.13 175.68 3khj s SER 284 N -0.69 6.82 0.00 1.62 1.04 -0.90 -2.27 113.70 119.33 3khj s SER 284 Ca 0.19 1.03 0.02 0.00 0.48 0.00 0.00 55.95 57.67 3khj s SER 284 Cb 0.12 -2.27 0.14 0.00 0.10 0.00 0.00 66.02 64.11 3khj s SER 284 CO 0.09 0.19 0.44 -0.81 0.98 0.00 0.00 173.24 174.13 3khj n PRO 285 N 1.16 0.19 0.00 4.02 -0.04 -1.26 -4.73 135.00 134.34 3khj n PRO 285 Ca -0.08 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.38 3khj n PRO 285 Cb 0.52 -1.19 0.00 0.00 -0.04 0.00 0.00 33.50 32.79 3khj n PRO 285 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3khj n GLY 286 N -0.43 -1.79 2.72 0.55 0.00 -1.26 -4.94 105.19 100.03 3khj n GLY 286 Ca 0.02 -1.50 -0.21 0.00 0.00 0.00 0.00 46.02 44.32 3khj n GLY 286 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3khj s GLU 287 N -1.38 0.21 0.40 1.61 2.12 -1.26 -5.05 118.70 115.35 3khj s GLU 287 Ca 0.00 0.26 -0.26 0.00 0.36 0.00 0.00 54.97 55.33 3khj s GLU 287 Cb 0.00 -0.69 -0.09 0.00 0.26 0.00 0.00 34.13 33.61 3khj s GLU 287 CO 0.00 -0.31 1.27 -1.59 -0.54 0.00 0.00 175.26 174.09 3khj s LYS 288 N 2.04 4.01 -0.06 4.30 -2.85 -1.26 -4.47 119.74 121.45 3khj s LYS 288 Ca 0.04 2.09 -0.03 0.00 -1.00 0.00 0.00 55.97 57.07 3khj s LYS 288 Cb -0.12 -2.76 0.03 0.00 -2.06 0.00 0.00 37.83 32.91 3khj s LYS 288 CO -0.04 -0.44 0.14 -2.00 0.10 0.00 0.00 175.35 173.11 3khj s GLU 289 N -2.22 0.11 -0.45 1.78 2.12 1.00 -4.96 118.70 116.09 3khj s GLU 289 Ca 0.56 0.29 -0.19 0.00 0.36 0.00 0.00 54.97 55.99 3khj s GLU 289 Cb -0.37 -0.08 0.03 0.00 0.26 0.00 0.00 34.13 33.97 3khj s GLU 289 CO 0.47 -0.11 0.57 -1.17 -0.54 0.00 0.00 175.26 174.48 3khj s LEU 290 N 0.73 4.72 -0.07 2.70 2.96 -1.26 0.10 118.68 128.56 3khj s LEU 290 Ca -0.05 -0.57 0.05 0.00 -0.22 0.00 0.00 54.13 53.33 3khj s LEU 290 Cb -0.07 -2.55 -0.01 0.00 0.50 0.00 0.00 46.19 44.06 3khj s LEU 290 CO -0.03 -0.74 -0.24 0.27 -1.32 0.00 0.00 176.35 174.29 3khj s ILE 291 N 2.55 1.97 0.00 6.68 -5.25 -1.15 -4.97 121.20 121.03 3khj s ILE 291 Ca 0.17 -1.00 0.00 0.00 -0.99 0.00 0.00 60.65 58.83 3khj s ILE 291 Cb -0.16 -1.68 0.00 0.00 2.95 0.00 0.00 42.46 43.57 3khj s ILE 291 CO 0.16 0.55 0.00 0.61 -1.79 0.00 0.00 174.94 174.46 3khj n GLY 292 N 3.17 1.35 0.00 6.27 0.00 -1.26 -3.25 105.19 111.48 3khj n GLY 292 Ca -0.18 0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.03 3khj n GLY 292 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3khj n ASP 293 N 7.97 1.87 -4.92 1.61 3.85 -1.26 -5.10 116.55 120.57 3khj n ASP 293 Ca 0.00 0.00 -0.28 0.00 -0.71 0.00 0.00 54.79 53.80 3khj n ASP 293 Cb 0.00 0.28 -0.03 0.00 -1.35 0.00 0.00 41.12 40.01 3khj n ASP 293 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.20 176.61 3khj s THR 294 N -1.07 5.17 0.24 2.12 -4.23 -1.20 -5.09 115.64 111.57 3khj s THR 294 Ca 0.00 -0.23 -0.23 0.00 -1.18 0.00 0.00 61.69 60.05 3khj s THR 294 Cb 0.00 -3.71 -0.09 0.00 1.34 0.00 0.00 72.50 70.04 3khj s THR 294 CO 0.00 -0.16 0.80 -0.69 -0.54 0.00 0.00 174.62 174.03 3khj s VAL 295 N -1.87 4.41 0.09 2.29 1.01 -1.26 -2.93 120.40 122.13 3khj s VAL 295 Ca 0.40 1.55 0.07 0.00 0.00 0.00 0.00 61.98 63.99 3khj s VAL 295 Cb -0.11 -3.98 -0.03 0.00 0.00 0.00 0.00 36.38 32.26 3khj s VAL 295 CO 0.28 0.27 -0.17 -0.31 0.00 0.00 0.00 175.10 175.17 3khj s TYR 296 N -1.45 1.49 0.15 5.22 1.51 0.28 -1.77 117.35 122.79 3khj s TYR 296 Ca 0.43 -0.45 0.06 0.00 -1.01 0.00 0.00 57.07 56.10 3khj s TYR 296 Cb -0.19 -0.82 -0.04 0.00 -0.11 0.00 0.00 41.96 40.80 3khj s TYR 296 CO 0.23 0.13 -0.13 0.15 -1.11 0.00 0.00 175.55 174.83 3khj s LYS 297 N -1.87 1.11 0.09 -0.62 1.02 0.36 -0.00 119.74 119.83 3khj s LYS 297 Ca 0.03 -1.40 -0.23 0.00 0.02 0.00 0.00 55.97 54.38 3khj s LYS 297 Cb -0.10 -0.86 -0.07 0.00 -0.52 0.00 0.00 37.83 36.29 3khj s LYS 297 CO 0.03 0.14 0.69 -0.47 -0.92 0.00 0.00 175.35 174.82 3khj s TYR 298 N -2.78 3.82 -0.07 3.18 5.04 -1.26 0.36 117.35 125.64 3khj s TYR 298 Ca 0.15 1.44 0.03 0.00 -2.44 0.00 0.00 57.07 56.25 3khj s TYR 298 Cb -0.01 -2.68 0.01 0.00 0.35 0.00 0.00 41.96 39.63 3khj s TYR 298 CO 0.03 0.47 -0.15 -0.47 -1.34 0.00 0.00 175.55 174.09 3khj s TYR 299 N -0.81 1.67 -0.02 4.97 5.04 -0.50 -4.82 117.35 122.88 3khj s TYR 299 Ca 0.34 -0.62 0.00 0.00 -2.44 0.00 0.00 57.07 54.35 3khj s TYR 299 Cb -0.21 -1.19 0.03 0.00 0.35 0.00 0.00 41.96 40.94 3khj s TYR 299 CO 0.22 -0.29 0.03 0.50 -1.34 0.00 0.00 175.55 174.67 3khj s ARG 300 N 0.54 -0.02 0.57 4.97 3.52 -1.26 0.28 118.95 127.55 3khj s ARG 300 Ca -0.14 0.18 -0.18 0.00 -0.13 0.00 0.00 55.73 55.45 3khj s ARG 300 Cb -0.16 -0.26 -0.04 0.00 -1.56 0.00 0.00 34.95 32.93 3khj s ARG 300 CO 0.05 -0.16 1.10 0.20 -0.81 0.00 0.00 175.30 175.68 3khj s GLY 301 N 1.05 2.44 0.12 8.12 0.00 -1.00 -4.76 107.32 113.29 3khj s GLY 301 Ca -0.09 0.68 -0.04 0.00 0.00 0.00 0.00 44.72 45.27 3khj s GLY 301 CO -0.03 1.02 1.28 -0.33 0.00 0.00 0.00 173.10 175.05 3khj h MET 302 N 0.86 0.36 -0.27 2.90 0.00 -1.94 -3.04 114.93 113.80 3khj h MET 302 Ca -0.49 -0.42 0.00 0.00 0.00 0.00 0.00 59.70 58.79 3khj h MET 302 Cb 1.25 0.13 0.00 0.00 0.00 0.00 0.00 31.60 32.98 3khj h MET 302 CO 0.56 1.11 0.00 0.41 0.00 0.00 0.00 176.91 178.99 3khj n GLY 303 N 1.05 0.30 3.80 8.32 0.00 -1.26 -4.05 105.19 113.35 3khj n GLY 303 Ca -0.07 -0.31 -0.29 0.00 0.00 0.00 0.00 46.02 45.35 3khj n GLY 303 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3khj s SER 304 N -1.04 4.08 0.23 1.61 0.15 -1.15 -1.98 113.70 115.60 3khj s SER 304 Ca 0.20 1.15 -0.07 0.00 0.70 0.00 0.00 55.95 57.92 3khj s SER 304 Cb 0.10 -1.81 0.25 0.00 -1.71 0.00 0.00 66.02 62.85 3khj s SER 304 CO 0.14 -2.21 1.88 0.58 1.20 0.00 0.00 173.24 174.83 3khj h VAL 305 N -1.26 1.14 -0.20 4.45 2.07 -1.88 -2.82 116.25 117.76 3khj h VAL 305 Ca -0.48 -0.37 -0.06 0.00 0.82 0.00 0.00 66.70 66.61 3khj h VAL 305 Cb 1.30 -0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 31.04 3khj h VAL 305 CO 0.61 0.20 -0.09 1.23 0.02 0.00 0.00 177.57 179.53 3khj h GLY 306 N 1.07 0.45 2.00 2.17 0.00 -1.93 -3.29 103.07 103.54 3khj h GLY 306 Ca 0.34 -0.40 -0.11 0.00 0.00 0.00 0.00 47.33 47.16 3khj h GLY 306 CO -0.11 0.36 -0.51 0.00 0.00 0.00 0.00 176.54 176.29 3khj h ALA 307 N 0.70 0.92 0.00 3.60 0.00 -1.74 -2.53 119.26 120.21 3khj h ALA 307 Ca 0.04 -0.46 -0.04 0.00 0.00 0.00 0.00 54.91 54.46 3khj h ALA 307 Cb 0.57 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 3khj h ALA 307 CO 0.03 0.63 -0.17 0.52 0.00 0.00 0.00 179.25 180.26 3khj h MET 308 N 0.00 0.00 0.00 0.00 2.86 -1.59 -3.40 114.93 112.80 3khj h MET 308 Ca -0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 3khj h MET 308 Cb 1.06 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.72 3khj h MET 308 CO 0.07 0.17 0.00 1.63 1.06 0.00 0.00 176.91 179.83 3khj n LYS 309 N -3.27 0.00 -1.63 1.72 5.02 -1.11 -5.06 118.16 113.83 3khj n LYS 309 Ca 0.01 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 56.01 3khj n LYS 309 Cb 0.44 -0.11 0.16 0.00 -0.02 0.00 0.00 35.03 35.49 3khj n LYS 309 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3khj s SER 310 N -1.00 3.19 0.00 4.39 1.04 -0.97 -5.02 113.70 115.33 3khj s SER 310 Ca 0.00 0.71 0.00 0.00 0.48 0.00 0.00 55.95 57.14 3khj s SER 310 Cb 0.00 -1.09 0.00 0.00 0.10 0.00 0.00 66.02 65.03 3khj s SER 310 CO 0.00 -2.72 0.00 0.61 0.98 0.00 0.00 173.24 172.11 3khj n GLY 311 N -2.59 5.44 1.13 7.32 0.00 -1.26 -4.65 105.19 110.58 3khj n GLY 311 Ca 0.10 -1.32 -0.10 0.00 0.00 0.00 0.00 46.02 44.71 3khj n GLY 311 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3khj n SER 312 N 0.00 1.86 0.00 1.61 2.88 -1.13 -5.03 113.62 113.81 3khj n SER 312 Ca 0.00 -1.71 0.00 0.00 -1.33 0.00 0.00 58.87 55.83 3khj n SER 312 Cb 0.00 0.21 0.00 0.00 -0.75 0.00 0.00 64.21 63.67 3khj n SER 312 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3khj n GLY 313 N 2.34 2.69 3.35 0.46 0.00 -1.26 -4.64 105.19 108.13 3khj n GLY 313 Ca -0.05 -0.23 -0.32 0.00 0.00 0.00 0.00 46.02 45.42 3khj n GLY 313 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3khj s ASP 314 N -4.00 3.54 -0.01 1.61 -4.77 -1.26 -5.03 116.67 106.75 3khj s ASP 314 Ca 0.00 -0.38 -0.01 0.00 -3.30 0.00 0.00 52.55 48.86 3khj s ASP 314 Cb 0.00 -0.99 -0.04 0.00 -1.09 0.00 0.00 42.92 40.81 3khj s ASP 314 CO 0.00 0.26 2.28 -2.11 0.70 0.00 0.00 175.17 176.30 3khj n ARG 315 N 2.86 1.21 0.00 2.11 1.85 -1.26 -3.74 116.66 119.69 3khj n ARG 315 Ca -0.17 -0.24 0.00 0.00 -1.00 0.00 0.00 57.85 56.43 3khj n ARG 315 Cb 0.52 -1.20 0.00 0.00 -1.05 0.00 0.00 32.46 30.73 3khj n ARG 315 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 3khj n TYR 316 N 1.62 0.00 -2.20 2.89 4.01 -1.26 -4.81 117.16 117.41 3khj n TYR 316 Ca 0.09 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.63 3khj n TYR 316 Cb 0.57 0.00 0.02 0.00 -0.31 0.00 0.00 39.34 39.63 3khj n TYR 316 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 3khj n PHE 317 N -1.31 2.53 -4.35 -0.72 3.72 -1.25 -5.07 117.46 111.03 3khj n PHE 317 Ca 0.00 -2.29 -0.18 0.00 -0.05 0.00 0.00 57.45 54.93 3khj n PHE 317 Cb 0.16 -0.30 -0.10 0.00 -0.94 0.00 0.00 39.48 38.30 3khj n PHE 317 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 3khj s GLN 318 N -3.62 1.34 0.00 -1.08 -0.21 -1.26 -4.73 119.66 110.10 3khj s GLN 318 Ca 0.46 -1.64 0.00 0.00 0.02 0.00 0.00 55.36 54.21 3khj s GLN 318 Cb 0.40 -0.92 0.00 0.00 1.00 0.00 0.00 33.01 33.49 3khj s GLN 318 CO 0.01 0.06 0.00 -0.85 -2.12 0.00 0.00 175.29 172.38 3khj n GLU 319 N -0.41 1.49 -1.59 2.91 0.00 -1.26 -5.14 120.64 116.64 3khj n GLU 319 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.09 3khj n GLU 319 Cb 0.62 0.00 0.00 0.00 0.00 0.00 0.00 31.44 32.06 3khj n GLU 319 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 3khj n MET 326 N 0.00 -4.22 -2.91 3.44 2.81 -1.26 -5.19 117.12 109.78 3khj n MET 326 Ca 0.00 3.26 -0.39 0.00 -1.81 0.00 0.00 57.70 58.76 3khj n MET 326 Cb 0.00 -4.02 -0.06 0.00 -0.71 0.00 0.00 33.22 28.43 3khj n MET 326 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 3khj s VAL 327 N -5.18 4.30 -0.19 2.03 0.11 -1.26 -4.98 120.40 115.23 3khj s VAL 327 Ca 0.00 1.77 -0.35 0.00 -2.93 0.00 0.00 61.98 60.46 3khj s VAL 327 Cb 0.00 -4.14 -0.16 0.00 -1.53 0.00 0.00 36.38 30.55 3khj s VAL 327 CO 0.00 0.43 1.07 -2.65 -3.33 0.00 0.00 175.10 170.62 3khj n PRO 328 N 1.33 0.00 -0.02 1.54 -0.02 -1.26 -4.88 135.00 131.69 3khj n PRO 328 Ca -0.03 0.00 0.02 0.00 -2.02 0.00 0.00 63.50 61.47 3khj n PRO 328 Cb 0.49 -1.21 0.03 0.00 -0.02 0.00 0.00 33.50 32.78 3khj n PRO 328 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3khj n GLU 329 N 2.17 0.68 -4.16 -0.52 1.02 -0.84 -4.94 120.64 114.06 3khj n GLU 329 Ca 0.20 -1.05 -0.10 0.00 -0.02 0.00 0.00 57.16 56.19 3khj n GLU 329 Cb 0.01 -1.08 -0.10 0.00 -0.02 0.00 0.00 31.44 30.25 3khj n GLU 329 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 3khj s GLY 330 N -0.55 0.73 0.05 0.62 0.00 -1.18 -0.92 107.32 106.07 3khj s GLY 330 Ca 0.06 -1.33 0.07 0.00 0.00 0.00 0.00 44.72 43.51 3khj s GLY 330 CO 0.05 -1.43 -0.15 -0.26 0.00 0.00 0.00 173.10 171.31 3khj s ILE 331 N -3.68 3.03 -0.01 0.90 -4.36 -0.74 -3.91 121.20 112.43 3khj s ILE 331 Ca 0.11 -1.17 -0.02 0.00 -0.26 0.00 0.00 60.65 59.31 3khj s ILE 331 Cb 0.06 -2.32 -0.04 0.00 1.25 0.00 0.00 42.46 41.41 3khj s ILE 331 CO -0.05 0.28 0.16 -1.83 0.24 0.00 0.00 174.94 173.73 3khj s GLU 332 N -1.64 3.35 0.00 0.37 1.03 -1.26 -2.37 118.70 118.17 3khj s GLU 332 Ca 0.16 -0.35 0.00 0.00 0.03 0.00 0.00 54.97 54.81 3khj s GLU 332 Cb -0.11 -3.04 0.00 0.00 -0.80 0.00 0.00 34.13 30.18 3khj s GLU 332 CO 0.08 0.67 0.00 0.41 -1.33 0.00 0.00 175.26 175.09 3khj n GLY 333 N 1.06 3.27 2.98 -3.83 0.00 0.14 -5.00 105.19 103.82 3khj n GLY 333 Ca -0.12 -0.87 -0.18 0.00 0.00 0.00 0.00 46.02 44.85 3khj n GLY 333 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3khj s ARG 334 N 0.82 0.66 0.01 1.61 3.52 -1.26 -1.41 118.95 122.90 3khj s ARG 334 Ca 0.00 -0.25 0.07 0.00 -0.13 0.00 0.00 55.73 55.42 3khj s ARG 334 Cb 0.00 -0.65 -0.02 0.00 -1.56 0.00 0.00 34.95 32.72 3khj s ARG 334 CO 0.00 0.12 -0.21 0.08 -0.81 0.00 0.00 175.30 174.48 3khj s VAL 335 N 0.01 1.67 0.33 7.11 1.01 0.16 -4.85 120.40 125.83 3khj s VAL 335 Ca 0.00 -1.02 -0.29 0.00 0.00 0.00 0.00 61.98 60.67 3khj s VAL 335 Cb -0.05 -1.41 -0.12 0.00 0.00 0.00 0.00 36.38 34.80 3khj s VAL 335 CO -0.00 0.36 1.35 1.17 0.00 0.00 0.00 175.10 177.99 3khj n LYS 336 N 2.27 2.24 -2.23 2.72 3.00 -1.26 -0.49 118.16 124.41 3khj n LYS 336 Ca -0.16 0.79 -0.42 0.00 -0.00 0.00 0.00 58.31 58.52 3khj n LYS 336 Cb 0.53 -2.41 -0.03 0.00 0.00 0.00 0.00 35.03 33.12 3khj n LYS 336 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.40 176.93 3khj s TYR 337 N -0.89 3.25 -0.28 5.64 5.04 -0.73 -4.37 117.35 125.01 3khj s TYR 337 Ca 0.57 1.01 0.12 0.00 -2.44 0.00 0.00 57.07 56.33 3khj s TYR 337 Cb -0.56 -3.63 0.47 0.00 0.35 0.00 0.00 41.96 38.60 3khj s TYR 337 CO 0.60 -2.17 1.16 0.36 -1.34 0.00 0.00 175.55 174.16 3khj n LYS 338 N 4.08 3.00 0.00 4.97 2.85 0.99 -4.94 118.16 129.12 3khj n LYS 338 Ca 0.11 -3.96 0.00 0.00 -1.05 0.00 0.00 58.31 53.41 3khj n LYS 338 Cb 0.43 -2.06 0.00 0.00 -0.65 0.00 0.00 35.03 32.75 3khj n LYS 338 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3khj n GLY 339 N -0.66 0.36 3.76 2.58 0.00 -1.26 -4.80 105.19 105.17 3khj n GLY 339 Ca 0.32 -0.86 -0.33 0.00 0.00 0.00 0.00 46.02 45.15 3khj n GLY 339 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3khj s GLU 340 N 0.00 2.65 0.07 1.61 4.04 -1.26 -1.70 118.70 124.11 3khj s GLU 340 Ca 0.00 1.43 -0.19 0.00 0.04 0.00 0.00 54.97 56.25 3khj s GLU 340 Cb 0.00 -1.93 -0.10 0.00 0.02 0.00 0.00 34.13 32.12 3khj s GLU 340 CO 0.00 -1.37 1.47 1.98 -1.84 0.00 0.00 175.26 175.49 3khj h MET 341 N -0.12 0.43 -0.94 -4.83 4.05 -1.94 -3.31 114.93 108.28 3khj h MET 341 Ca -0.47 -0.17 0.15 0.00 -0.28 0.00 0.00 59.70 58.94 3khj h MET 341 Cb 1.25 -0.02 -0.10 0.00 -0.80 0.00 0.00 31.60 31.93 3khj h MET 341 CO 0.53 0.67 0.54 0.93 0.23 0.00 0.00 176.91 179.82 3khj h GLU 342 N 0.17 0.75 -0.01 0.39 3.07 -1.95 -1.00 114.58 116.00 3khj h GLU 342 Ca 0.06 -0.04 -0.09 0.00 -0.50 0.00 0.00 59.36 58.78 3khj h GLU 342 Cb 0.51 -0.17 -0.01 0.00 -0.84 0.00 0.00 28.75 28.24 3khj h GLU 342 CO 0.02 0.49 -0.43 0.78 -1.40 0.00 0.00 179.01 178.48 3khj h GLY 343 N 0.77 0.01 0.56 -3.84 0.00 -1.97 0.22 103.07 98.82 3khj h GLY 343 Ca 0.51 -0.01 -0.07 0.00 0.00 0.00 0.00 47.33 47.76 3khj h GLY 343 CO -0.34 0.01 -0.23 -2.08 0.00 0.00 0.00 176.54 173.90 3khj h VAL 344 N 0.01 1.47 -0.50 4.60 2.07 -1.32 -2.96 116.25 119.62 3khj h VAL 344 Ca -0.00 -1.73 -0.06 0.00 0.82 0.00 0.00 66.70 65.72 3khj h VAL 344 Cb 0.76 2.48 -0.02 0.00 -1.52 0.00 0.00 31.29 32.99 3khj h VAL 344 CO 0.06 0.48 0.05 0.58 0.02 0.00 0.00 177.57 178.76 3khj h VAL 345 N -0.34 1.23 -0.93 2.57 2.07 -1.27 -2.09 116.25 117.49 3khj h VAL 345 Ca -0.02 -0.92 0.04 0.00 0.82 0.00 0.00 66.70 66.63 3khj h VAL 345 Cb 0.91 0.79 -0.06 0.00 -1.52 0.00 0.00 31.29 31.41 3khj h VAL 345 CO 0.05 0.33 0.61 0.22 0.02 0.00 0.00 177.57 178.80 3khj h TYR 346 N 0.76 1.12 -0.22 1.57 3.20 -1.01 -0.75 116.97 121.63 3khj h TYR 346 Ca 0.16 0.03 -0.16 0.00 3.14 0.00 0.00 58.73 61.90 3khj h TYR 346 Cb 0.38 -0.37 0.00 0.00 1.54 0.00 0.00 36.73 38.28 3khj h TYR 346 CO 0.02 0.63 -0.47 0.37 -1.64 0.00 0.00 178.16 177.07 3khj h GLN 347 N 1.14 0.71 -0.19 1.82 -0.00 -1.27 -1.30 115.11 116.02 3khj h GLN 347 Ca 0.38 -0.47 -0.03 0.00 -0.00 0.00 0.00 58.65 58.53 3khj h GLN 347 Cb 0.07 0.06 -0.01 0.00 0.00 0.00 0.00 27.48 27.60 3khj h GLN 347 CO -0.13 1.09 -0.00 -0.07 0.00 0.00 0.00 178.83 179.72 3khj h LEU 348 N 0.43 0.34 -0.41 -2.39 3.38 -1.08 -0.69 115.31 114.89 3khj h LEU 348 Ca 0.00 -0.31 -0.03 0.00 0.09 0.00 0.00 57.88 57.63 3khj h LEU 348 Cb 1.08 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.72 3khj h LEU 348 CO 0.10 0.57 0.15 0.58 0.09 0.00 0.00 178.44 179.93 3khj h VAL 349 N 0.10 1.21 0.00 1.22 2.07 -1.23 -1.71 116.25 117.91 3khj h VAL 349 Ca 0.05 -0.66 -0.00 0.00 0.82 0.00 0.00 66.70 66.91 3khj h VAL 349 Cb 0.40 0.87 -0.00 0.00 -1.52 0.00 0.00 31.29 31.04 3khj h VAL 349 CO 0.01 0.24 -0.02 1.23 0.02 0.00 0.00 177.57 179.05 3khj h GLY 350 N 0.51 0.00 1.47 2.17 0.00 -1.15 0.36 103.07 106.43 3khj h GLY 350 Ca 0.13 0.00 -0.24 0.00 0.00 0.00 0.00 47.33 47.22 3khj h GLY 350 CO -0.01 0.00 -0.99 -1.33 0.00 0.00 0.00 176.54 174.21 3khj h GLY 351 N 0.07 0.53 0.96 4.60 0.00 -0.78 -2.95 103.07 105.49 3khj h GLY 351 Ca -0.00 -0.95 -0.10 0.00 0.00 0.00 0.00 47.33 46.28 3khj h GLY 351 CO 0.00 0.84 -0.21 -2.00 0.00 0.00 0.00 176.54 175.18 3khj h LEU 352 N 0.26 0.73 -0.79 3.11 6.46 -0.46 -1.82 115.31 122.79 3khj h LEU 352 Ca -0.10 -0.43 -0.04 0.00 -0.12 0.00 0.00 57.88 57.19 3khj h LEU 352 Cb 1.64 -0.20 -0.04 0.00 -0.73 0.00 0.00 40.66 41.33 3khj h LEU 352 CO 0.18 1.00 0.34 0.03 -0.62 0.00 0.00 178.44 179.37 3khj h ARG 353 N 0.45 1.18 -0.58 1.25 3.08 -1.05 -0.61 114.38 118.10 3khj h ARG 353 Ca 0.06 -0.20 -0.07 0.00 0.07 0.00 0.00 59.98 59.84 3khj h ARG 353 Cb 0.76 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 30.59 3khj h ARG 353 CO 0.06 0.94 0.09 1.03 -1.07 0.00 0.00 179.97 181.02 3khj h SER 354 N 1.15 0.92 0.25 7.04 0.87 -1.50 -2.08 113.55 120.20 3khj h SER 354 Ca 0.27 -0.26 -0.01 0.00 -1.23 0.00 0.00 61.79 60.55 3khj h SER 354 Cb 0.19 -0.24 0.00 0.00 -0.44 0.00 0.00 62.40 61.91 3khj h SER 354 CO -0.03 0.95 -0.12 0.00 -0.53 0.00 0.00 176.83 177.10 3khj h MET 356 N -0.38 0.00 -0.01 0.00 2.07 -1.14 -1.96 114.93 113.52 3khj h MET 356 Ca -0.03 0.00 -0.00 0.00 -2.07 0.00 0.00 59.70 57.59 3khj h MET 356 Cb 0.29 0.00 -0.00 0.00 -1.87 0.00 0.00 31.60 30.02 3khj h MET 356 CO 0.06 0.00 -0.00 0.78 1.07 0.00 0.00 176.91 178.81 3khj h GLY 357 N 1.10 0.02 0.74 8.32 0.00 -0.93 0.11 103.07 112.43 3khj h GLY 357 Ca 0.00 -0.02 0.06 0.00 0.00 0.00 0.00 47.33 47.37 3khj h GLY 357 CO 0.00 0.02 0.57 -0.97 0.00 0.00 0.00 176.54 176.16 3khj h TYR 358 N -0.35 1.06 -0.31 5.60 -1.99 -0.93 -2.07 116.97 117.97 3khj h TYR 358 Ca 0.00 0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.76 3khj h TYR 358 Cb 0.39 -0.34 0.00 0.00 2.00 0.00 0.00 36.73 38.77 3khj h TYR 358 CO 0.06 0.55 0.00 1.28 -0.00 0.00 0.00 178.16 180.05 3khj n LEU 359 N -4.58 1.79 -2.83 3.88 4.32 -1.01 -1.47 117.00 117.11 3khj n LEU 359 Ca 0.13 -0.90 -0.19 0.00 -0.02 0.00 0.00 56.01 55.03 3khj n LEU 359 Cb 0.17 -0.24 0.00 0.00 -1.62 0.00 0.00 43.42 41.73 3khj n LEU 359 CO 0.32 0.42 -0.10 0.61 -1.22 0.00 0.00 177.39 177.41 3khj n GLY 360 N 0.93 -0.50 3.49 -0.72 0.00 -0.78 -4.45 105.19 103.16 3khj n GLY 360 Ca 0.11 0.06 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 3khj n GLY 360 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3khj s SER 361 N -2.39 4.97 0.10 1.61 0.15 0.35 -4.66 113.70 113.84 3khj s SER 361 Ca 0.18 -0.14 0.22 0.00 0.70 0.00 0.00 55.95 56.92 3khj s SER 361 Cb -0.09 -1.84 -0.12 0.00 -1.71 0.00 0.00 66.02 62.25 3khj s SER 361 CO 0.23 0.10 0.83 0.00 1.20 0.00 0.00 173.24 175.60 3khj n ALA 362 N 3.99 2.72 -2.28 5.45 0.00 -1.26 -4.48 120.51 124.64 3khj n ALA 362 Ca -0.17 -0.36 -0.09 0.00 0.00 0.00 0.00 53.44 52.83 3khj n ALA 362 Cb 0.52 -0.96 -0.09 0.00 0.00 0.00 0.00 19.45 18.92 3khj n ALA 362 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3khj s SER 363 N -4.91 0.30 0.32 0.00 1.04 -1.26 -0.19 113.70 109.01 3khj s SER 363 Ca -0.03 -0.99 0.03 0.00 0.48 0.00 0.00 55.95 55.45 3khj s SER 363 Cb 0.12 0.29 0.54 0.00 0.10 0.00 0.00 66.02 67.07 3khj s SER 363 CO 0.84 -0.71 1.84 0.40 0.98 0.00 0.00 173.24 176.59 3khj h ILE 364 N 2.90 1.21 -0.81 -1.02 2.04 -1.83 0.14 117.51 120.15 3khj h ILE 364 Ca -0.34 -0.89 -0.03 0.00 1.00 0.00 0.00 64.86 64.59 3khj h ILE 364 Cb 1.18 1.01 -0.04 0.00 -0.74 0.00 0.00 36.82 38.24 3khj h ILE 364 CO 0.60 0.30 0.37 -0.33 0.00 0.00 0.00 178.15 179.08 3khj h GLU 365 N 0.51 1.17 0.00 2.37 5.08 -1.96 -1.81 114.58 119.93 3khj h GLU 365 Ca 0.10 -0.18 -0.09 0.00 -1.00 0.00 0.00 59.36 58.19 3khj h GLU 365 Cb 0.40 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 3khj h GLU 365 CO 0.02 0.91 -0.45 1.49 -1.00 0.00 0.00 179.01 179.98 3khj h GLU 366 N 1.15 0.00 -0.45 2.33 4.81 -1.77 -3.09 114.58 117.56 3khj h GLU 366 Ca 0.28 0.00 -0.12 0.00 -0.13 0.00 0.00 59.36 59.39 3khj h GLU 366 Cb 0.14 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.51 3khj h GLU 366 CO -0.03 0.45 -0.19 1.25 -0.73 0.00 0.00 179.01 179.76 3khj h LEU 367 N 0.00 0.88 -1.27 1.64 5.85 -0.16 -2.65 115.31 119.60 3khj h LEU 367 Ca -0.00 -0.31 -0.07 0.00 0.84 0.00 0.00 57.88 58.33 3khj h LEU 367 Cb 1.01 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.79 3khj h LEU 367 CO 0.06 1.05 -0.35 -0.50 -0.34 0.00 0.00 178.44 178.36 3khj h TRP 368 N 0.77 0.00 0.00 1.25 6.55 -1.28 -2.17 115.95 121.07 3khj h TRP 368 Ca 0.11 0.00 -0.13 0.00 0.95 0.00 0.00 58.89 59.82 3khj h TRP 368 Cb 0.72 0.00 -0.02 0.00 -0.86 0.00 0.00 29.16 29.00 3khj h TRP 368 CO 0.04 0.35 -0.75 0.87 -1.05 0.00 0.00 178.44 177.89 3khj h LYS 369 N 0.00 0.00 0.00 0.49 6.56 -1.44 -3.39 116.57 118.78 3khj h LYS 369 Ca -0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 3khj h LYS 369 Cb 0.68 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.34 3khj h LYS 369 CO 0.05 0.51 -0.82 1.63 -2.06 0.00 0.00 179.45 178.75 3khj n LYS 370 N -3.16 2.25 -2.27 3.15 5.02 -1.02 -5.05 118.16 117.07 3khj n LYS 370 Ca -0.01 -0.03 -0.38 0.00 -2.02 0.00 0.00 58.31 55.88 3khj n LYS 370 Cb 0.78 -0.96 -0.01 0.00 -0.02 0.00 0.00 35.03 34.82 3khj n LYS 370 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3khj s SER 371 N -2.11 6.31 -0.15 4.39 1.04 -0.82 -4.93 113.70 117.44 3khj s SER 371 Ca -0.00 2.33 -0.22 0.00 0.48 0.00 0.00 55.95 58.53 3khj s SER 371 Cb 0.03 -2.61 0.05 0.00 0.10 0.00 0.00 66.02 63.60 3khj s SER 371 CO 0.19 -0.82 0.56 -0.94 0.98 0.00 0.00 173.24 173.21 3khj s SER 372 N -1.26 -0.55 0.16 7.02 1.04 -1.26 -5.03 113.70 113.80 3khj s SER 372 Ca 0.61 0.89 0.09 0.00 0.48 0.00 0.00 55.95 58.03 3khj s SER 372 Cb -0.29 0.90 -0.04 0.00 0.10 0.00 0.00 66.02 66.68 3khj s SER 372 CO 0.36 -0.33 -0.20 -0.72 0.98 0.00 0.00 173.24 173.32 3khj s TYR 373 N -0.29 1.94 0.01 5.02 1.13 -1.26 -0.76 117.35 123.14 3khj s TYR 373 Ca -0.05 -0.43 -0.02 0.00 -1.41 0.00 0.00 57.07 55.17 3khj s TYR 373 Cb -0.03 -0.99 -0.04 0.00 -1.10 0.00 0.00 41.96 39.80 3khj s TYR 373 CO 0.04 0.34 0.18 0.14 -2.51 0.00 0.00 175.55 173.73 3khj s VAL 374 N -1.73 5.35 0.27 -3.49 -7.23 -0.28 -4.93 120.40 108.36 3khj s VAL 374 Ca 0.15 -0.23 -0.22 0.00 -1.81 0.00 0.00 61.98 59.86 3khj s VAL 374 Cb -0.07 -3.52 -0.09 0.00 0.56 0.00 0.00 36.38 33.26 3khj s VAL 374 CO 0.07 0.29 0.82 -0.70 -0.31 0.00 0.00 175.10 175.27 3khj s GLU 375 N -2.03 4.37 0.05 4.82 2.12 -1.26 -1.48 118.70 125.30 3khj s GLU 375 Ca 0.28 1.05 0.01 0.00 0.36 0.00 0.00 54.97 56.67 3khj s GLU 375 Cb -0.13 -2.81 -0.03 0.00 0.26 0.00 0.00 34.13 31.42 3khj s GLU 375 CO 0.20 0.33 -0.05 -1.50 -0.54 0.00 0.00 175.26 173.70 3khj s ILE 376 N -1.59 0.37 0.00 -3.70 -1.16 0.29 -4.93 121.20 110.48 3khj s ILE 376 Ca 0.47 -1.45 0.00 0.00 -0.51 0.00 0.00 60.65 59.16 3khj s ILE 376 Cb -0.17 -1.03 0.00 0.00 0.61 0.00 0.00 42.46 41.87 3khj s ILE 376 CO 0.22 -0.71 0.00 0.35 -2.81 0.00 0.00 174.94 171.99 3khj n THR 377 N 0.75 0.00 -1.42 4.00 -2.24 -1.26 -4.66 114.28 109.46 3khj n THR 377 Ca -0.18 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 3khj n THR 377 Cb 0.58 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.81 3khj n THR 377 CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57