#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3khj h LYS 4 N 0.00 0.00 -6.54 -2.82 1.57 -2.13 -3.40 116.57 103.25 3khj h LYS 4 Ca 0.00 0.00 -0.57 0.00 -1.87 0.00 0.00 60.65 58.21 3khj h LYS 4 Cb 0.00 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.26 3khj h LYS 4 CO 0.00 0.14 1.06 1.21 -0.57 0.00 0.00 179.45 181.29 3khj s ASN 5 N -6.05 6.35 -0.08 0.86 3.04 -1.26 -4.89 114.94 112.92 3khj s ASN 5 Ca -0.01 0.81 0.09 0.00 0.04 0.00 0.00 52.86 53.79 3khj s ASN 5 Cb 0.11 -2.54 0.39 0.00 -1.54 0.00 0.00 41.25 37.67 3khj s ASN 5 CO 0.59 -1.42 1.19 2.30 -3.04 0.00 0.00 177.10 176.72 3khj n ILE 6 N 7.05 1.09 0.00 -5.21 -5.35 -1.26 -5.02 119.36 110.67 3khj n ILE 6 Ca 0.16 -0.64 0.00 0.00 -0.27 0.00 0.00 62.75 62.00 3khj n ILE 6 Cb 0.48 -0.16 0.00 0.00 -1.74 0.00 0.00 39.64 38.22 3khj n ILE 6 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3khj n GLY 7 N 0.60 -0.16 3.74 3.28 0.00 -1.26 -5.03 105.19 106.35 3khj n GLY 7 Ca 0.14 -2.26 -0.36 0.00 0.00 0.00 0.00 46.02 43.54 3khj n GLY 7 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3khj s LYS 8 N 0.00 4.21 -0.06 1.61 2.47 -1.26 -5.09 119.74 121.62 3khj s LYS 8 Ca 0.00 0.03 -0.06 0.00 -1.56 0.00 0.00 55.97 54.38 3khj s LYS 8 Cb 0.00 -3.41 -0.04 0.00 -1.46 0.00 0.00 37.83 32.92 3khj s LYS 8 CO 0.00 0.28 0.19 0.20 0.16 0.00 0.00 175.35 176.18 3khj s GLY 9 N 0.36 2.20 -0.08 5.54 0.00 -1.26 -5.02 107.32 109.06 3khj s GLY 9 Ca 0.15 -0.63 0.04 0.00 0.00 0.00 0.00 44.72 44.28 3khj s GLY 9 CO 0.03 -0.41 -0.23 1.08 0.00 0.00 0.00 173.10 173.57 3khj s LEU 10 N -1.38 2.03 0.00 0.66 1.02 -1.26 -4.97 118.68 114.78 3khj s LEU 10 Ca 0.21 -0.51 0.03 0.00 0.02 0.00 0.00 54.13 53.87 3khj s LEU 10 Cb -0.13 -1.32 0.06 0.00 0.02 0.00 0.00 46.19 44.82 3khj s LEU 10 CO 0.10 0.16 0.43 0.35 0.02 0.00 0.00 176.35 177.41 3khj n THR 11 N 3.42 0.00 -0.14 5.49 -2.24 -1.26 -2.53 114.28 117.01 3khj n THR 11 Ca -0.19 -0.86 -0.09 0.00 -2.27 0.00 0.00 64.05 60.64 3khj n THR 11 Cb 0.53 -0.92 -0.00 0.00 -2.10 0.00 0.00 70.33 67.83 3khj n THR 11 CO 0.00 0.00 0.00 -0.26 -0.57 0.00 0.00 175.07 174.24 3khj h PHE 12 N -0.18 0.61 0.00 4.78 -1.00 -1.94 -2.74 116.94 116.48 3khj h PHE 12 Ca -0.14 -0.03 0.00 0.00 2.81 0.00 0.00 57.97 60.61 3khj h PHE 12 Cb 0.60 -0.19 0.00 0.00 3.61 0.00 0.00 35.95 39.97 3khj h PHE 12 CO 0.00 0.50 0.00 0.39 -1.61 0.00 0.00 178.31 177.59 3khj n GLU 13 N -4.67 0.13 0.16 1.51 4.71 -1.26 -3.26 120.64 117.97 3khj n GLU 13 Ca 0.00 0.34 0.03 0.00 -0.01 0.00 0.00 57.16 57.53 3khj n GLU 13 Cb 0.11 -1.74 0.17 0.00 -1.01 0.00 0.00 31.44 28.97 3khj n GLU 13 CO 0.00 0.00 0.00 -0.44 0.09 0.00 0.00 177.13 176.78 3khj h ASP 14 N 0.00 0.00 -3.25 1.62 3.32 -1.77 -3.46 116.42 112.89 3khj h ASP 14 Ca 0.00 0.00 -0.45 0.00 0.02 0.00 0.00 57.03 56.60 3khj h ASP 14 Cb 0.36 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 39.77 3khj h ASP 14 CO 0.00 0.49 -0.69 0.27 -1.72 0.00 0.00 179.24 177.59 3khj s ILE 15 N -3.27 1.51 -0.01 0.35 -0.00 -1.20 -0.55 121.20 118.03 3khj s ILE 15 Ca 0.02 -2.12 0.01 0.00 -0.00 0.00 0.00 60.65 58.55 3khj s ILE 15 Cb 0.10 -2.30 0.01 0.00 -0.00 0.00 0.00 42.46 40.27 3khj s ILE 15 CO 0.72 -0.40 -0.03 -0.76 -0.00 0.00 0.00 174.94 174.47 3khj s LEU 16 N -3.37 1.71 0.21 0.37 1.43 -0.63 -4.89 118.68 113.51 3khj s LEU 16 Ca 0.27 -0.07 -0.30 0.00 -1.03 0.00 0.00 54.13 53.00 3khj s LEU 16 Cb 0.03 -0.24 -0.08 0.00 0.03 0.00 0.00 46.19 45.92 3khj s LEU 16 CO 0.09 0.00 1.14 -0.76 0.23 0.00 0.00 176.35 177.05 3khj s LEU 17 N 0.31 4.49 -0.20 1.79 1.43 -1.26 -1.30 118.68 123.94 3khj s LEU 17 Ca -0.03 2.20 -0.15 0.00 -1.03 0.00 0.00 54.13 55.12 3khj s LEU 17 Cb -0.06 -3.61 -0.04 0.00 0.03 0.00 0.00 46.19 42.50 3khj s LEU 17 CO -0.01 -0.26 0.35 -0.69 0.23 0.00 0.00 176.35 175.98 3khj s VAL 18 N -0.45 5.23 0.51 -1.59 1.01 0.16 -4.92 120.40 120.35 3khj s VAL 18 Ca 0.49 0.62 -0.22 0.00 0.00 0.00 0.00 61.98 62.87 3khj s VAL 18 Cb -0.31 -3.69 -0.06 0.00 0.00 0.00 0.00 36.38 32.32 3khj s VAL 18 CO 0.38 0.28 1.22 -2.84 0.00 0.00 0.00 175.10 174.13 3khj s PRO 19 N 1.17 3.44 0.49 2.72 0.02 -1.26 -4.61 135.00 136.97 3khj s PRO 19 Ca 0.17 1.89 0.03 0.00 0.02 0.00 0.00 61.00 63.10 3khj s PRO 19 Cb -0.14 -2.26 -0.02 0.00 0.02 0.00 0.00 34.50 32.10 3khj s PRO 19 CO 0.07 -0.84 0.04 -0.80 -0.33 0.00 0.00 177.00 175.14 3khj s ASN 20 N -1.33 4.13 -0.07 2.53 0.01 -0.60 -4.92 114.94 114.69 3khj s ASN 20 Ca 0.69 -1.56 -0.30 0.00 -0.71 0.00 0.00 52.86 50.98 3khj s ASN 20 Cb -0.31 0.33 -0.08 0.00 0.41 0.00 0.00 41.25 41.60 3khj s ASN 20 CO 0.37 -0.79 2.06 0.00 -1.51 0.00 0.00 177.10 177.23 3khj n TYR 21 N -1.25 2.29 -4.13 2.20 9.36 -1.26 -4.49 117.16 119.88 3khj n TYR 21 Ca -0.15 -0.25 -0.34 0.00 3.32 0.00 0.00 57.90 60.48 3khj n TYR 21 Cb 0.67 -2.76 -0.07 0.00 -0.63 0.00 0.00 39.34 36.54 3khj n TYR 21 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 3khj s SER 22 N 5.86 5.69 0.00 2.98 0.15 -1.26 -4.53 113.70 122.59 3khj s SER 22 Ca 0.94 0.19 0.00 0.00 0.70 0.00 0.00 55.95 57.78 3khj s SER 22 Cb -0.43 -1.66 0.00 0.00 -1.71 0.00 0.00 66.02 62.22 3khj s SER 22 CO 0.41 0.31 0.00 -0.62 1.20 0.00 0.00 173.24 174.54 3khj n GLU 23 N 1.48 2.63 -2.91 5.44 1.02 -1.26 -5.02 120.64 122.02 3khj n GLU 23 Ca -0.15 0.00 -0.38 0.00 -0.02 0.00 0.00 57.16 56.61 3khj n GLU 23 Cb 0.53 -0.86 -0.06 0.00 -0.02 0.00 0.00 31.44 31.03 3khj n GLU 23 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 3khj s VAL 24 N -1.73 4.32 0.15 2.62 -7.23 -1.26 -5.07 120.40 112.19 3khj s VAL 24 Ca 0.00 1.71 -0.14 0.00 -1.81 0.00 0.00 61.98 61.74 3khj s VAL 24 Cb 0.00 -4.07 -0.07 0.00 0.56 0.00 0.00 36.38 32.80 3khj s VAL 24 CO 0.00 0.33 0.55 -0.76 -0.31 0.00 0.00 175.10 174.91 3khj s LEU 25 N -1.62 4.34 0.49 1.32 2.01 -1.26 -4.78 118.68 119.17 3khj s LEU 25 Ca 0.43 1.07 0.19 0.00 0.01 0.00 0.00 54.13 55.83 3khj s LEU 25 Cb -0.21 -3.28 1.22 0.00 0.01 0.00 0.00 46.19 43.94 3khj s LEU 25 CO 0.25 0.10 2.00 -0.65 1.01 0.00 0.00 176.35 179.06 3khj h PRO 26 N 3.54 0.18 0.00 1.29 0.11 -1.91 -2.24 132.00 132.97 3khj h PRO 26 Ca -0.49 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.61 3khj h PRO 26 Cb 1.19 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 32.26 3khj h PRO 26 CO 0.66 0.12 -0.03 -0.09 -0.21 0.00 0.00 178.00 178.44 3khj h ARG 27 N 0.18 0.00 -2.65 1.05 2.43 -1.94 -3.38 114.38 110.07 3khj h ARG 27 Ca 0.25 0.00 -0.58 0.00 -0.81 0.00 0.00 59.98 58.84 3khj h ARG 27 Cb 0.73 0.00 -0.39 0.00 -0.42 0.00 0.00 29.97 29.89 3khj h ARG 27 CO -0.04 0.03 -0.83 -1.21 -1.51 0.00 0.00 179.97 176.41 3khj s GLU 28 N -4.91 0.58 0.06 0.20 2.02 -0.84 -5.11 118.70 110.68 3khj s GLU 28 Ca -0.05 -1.30 0.00 0.00 0.02 0.00 0.00 54.97 53.65 3khj s GLU 28 Cb 0.16 -1.38 -0.03 0.00 0.10 0.00 0.00 34.13 32.98 3khj s GLU 28 CO 0.65 -1.18 -0.05 0.14 0.02 0.00 0.00 175.26 174.84 3khj s VAL 29 N 1.12 0.38 -0.22 2.63 -7.23 -1.26 -4.49 120.40 111.32 3khj s VAL 29 Ca 0.17 -1.54 -0.27 0.00 -1.81 0.00 0.00 61.98 58.53 3khj s VAL 29 Cb -0.22 -1.16 0.00 0.00 0.56 0.00 0.00 36.38 35.56 3khj s VAL 29 CO -0.03 -0.76 0.94 -0.55 -0.31 0.00 0.00 175.10 174.38 3khj s SER 30 N -2.43 6.99 0.00 4.85 0.15 0.11 -4.91 113.70 118.46 3khj s SER 30 Ca 0.01 1.23 0.18 0.00 0.70 0.00 0.00 55.95 58.07 3khj s SER 30 Cb 0.01 -2.49 0.37 0.00 -1.71 0.00 0.00 66.02 62.19 3khj s SER 30 CO -0.05 -0.57 1.29 0.18 1.20 0.00 0.00 173.24 175.29 3khj n LEU 31 N 6.03 3.15 -4.77 3.45 4.77 -1.26 -4.09 117.00 124.28 3khj n LEU 31 Ca 0.09 -1.64 -0.41 0.00 -0.03 0.00 0.00 56.01 54.02 3khj n LEU 31 Cb 0.47 -0.24 -0.01 0.00 -2.33 0.00 0.00 43.42 41.31 3khj n LEU 31 CO 0.50 0.72 1.11 -1.61 -1.33 0.00 0.00 177.39 176.78 3khj s GLU 32 N -1.19 4.19 0.09 3.23 2.02 -1.10 -3.87 118.70 122.08 3khj s GLU 32 Ca 0.32 2.45 -0.10 0.00 0.02 0.00 0.00 54.97 57.66 3khj s GLU 32 Cb 0.18 -3.02 0.00 0.00 0.10 0.00 0.00 34.13 31.39 3khj s GLU 32 CO 0.25 -0.45 0.22 -0.08 0.02 0.00 0.00 175.26 175.22 3khj s THR 33 N -0.79 0.13 -0.21 3.63 -1.32 -0.72 -4.62 115.64 111.74 3khj s THR 33 Ca 0.54 -1.07 -0.22 0.00 -1.21 0.00 0.00 61.69 59.73 3khj s THR 33 Cb -0.44 -1.30 -0.02 0.00 -1.51 0.00 0.00 72.50 69.23 3khj s THR 33 CO 0.56 -0.59 0.71 -0.54 -2.21 0.00 0.00 174.62 172.54 3khj s LYS 34 N -3.82 4.20 -0.04 7.08 1.02 -1.26 -0.53 119.74 126.39 3khj s LYS 34 Ca 0.04 0.74 -0.22 0.00 0.02 0.00 0.00 55.97 56.56 3khj s LYS 34 Cb 0.04 -3.61 -0.30 0.00 -0.52 0.00 0.00 37.83 33.45 3khj s LYS 34 CO -0.11 -0.35 0.94 1.25 -0.92 0.00 0.00 175.35 176.16 3khj h LEU 35 N 8.58 0.47 0.00 3.17 5.85 -1.76 -3.44 115.31 128.18 3khj h LEU 35 Ca -0.28 -0.91 0.00 0.00 0.84 0.00 0.00 57.88 57.52 3khj h LEU 35 Cb 1.13 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 42.00 3khj h LEU 35 CO 0.80 1.35 0.00 0.35 -0.34 0.00 0.00 178.44 180.60 3khj n THR 36 N -4.15 0.00 0.15 1.05 -2.24 -1.06 -4.75 114.28 103.28 3khj n THR 36 Ca -0.13 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 61.68 3khj n THR 36 Cb 0.79 0.00 0.41 0.00 -2.10 0.00 0.00 70.33 69.42 3khj n THR 36 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 3khj h LYS 37 N 0.00 0.17 0.00 -0.78 3.64 -1.74 -3.40 116.57 114.46 3khj h LYS 37 Ca 0.00 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 3khj h LYS 37 Cb 0.00 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.80 3khj h LYS 37 CO 0.00 0.34 -0.96 0.09 -2.27 0.00 0.00 179.45 176.65 3khj n ASN 38 N -4.26 0.73 -4.80 4.20 3.02 -1.26 -5.07 115.26 107.81 3khj n ASN 38 Ca -0.01 0.00 -0.34 0.00 -0.03 0.00 0.00 54.58 54.19 3khj n ASN 38 Cb 0.28 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.39 3khj n ASN 38 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3khj s VAL 39 N -1.99 4.12 0.15 2.41 0.11 -1.26 -5.00 120.40 118.93 3khj s VAL 39 Ca 0.00 1.43 0.02 0.00 -2.93 0.00 0.00 61.98 60.50 3khj s VAL 39 Cb 0.00 -3.64 -0.04 0.00 -1.53 0.00 0.00 36.38 31.16 3khj s VAL 39 CO 0.00 -0.18 -0.03 -0.94 -3.33 0.00 0.00 175.10 170.63 3khj s SER 40 N -1.95 1.22 0.19 3.54 1.04 -1.26 -2.15 113.70 114.33 3khj s SER 40 Ca 0.61 -1.11 0.07 0.00 0.48 0.00 0.00 55.95 56.00 3khj s SER 40 Cb -0.14 0.10 -0.05 0.00 0.10 0.00 0.00 66.02 66.04 3khj s SER 40 CO 0.19 -0.52 -0.13 -0.76 0.98 0.00 0.00 173.24 172.99 3khj s LEU 41 N -3.13 2.55 0.04 2.42 1.43 0.31 -4.84 118.68 117.46 3khj s LEU 41 Ca 0.20 -1.02 -0.09 0.00 -1.03 0.00 0.00 54.13 52.19 3khj s LEU 41 Cb 0.06 -0.60 -0.31 0.00 0.03 0.00 0.00 46.19 45.37 3khj s LEU 41 CO 0.01 -0.21 1.01 0.11 0.23 0.00 0.00 176.35 177.50 3khj h LYS 42 N 2.62 0.37 -5.88 1.70 6.56 -1.66 -1.91 116.57 118.37 3khj h LYS 42 Ca -0.38 -0.64 -0.52 0.00 -1.06 0.00 0.00 60.65 58.05 3khj h LYS 42 Cb 1.21 0.24 -0.23 0.00 -0.57 0.00 0.00 32.23 32.88 3khj h LYS 42 CO 0.62 1.29 -0.82 0.96 -2.06 0.00 0.00 179.45 179.45 3khj s ILE 43 N -2.62 1.51 -0.23 1.86 -4.36 -1.18 -2.70 121.20 113.47 3khj s ILE 43 Ca -0.07 -1.32 -0.01 0.00 -0.26 0.00 0.00 60.65 58.99 3khj s ILE 43 Cb 0.06 -1.36 0.16 0.00 1.25 0.00 0.00 42.46 42.56 3khj s ILE 43 CO 0.90 -0.00 2.01 -0.81 0.24 0.00 0.00 174.94 177.28 3khj n PRO 44 N 1.46 1.59 -4.44 0.37 -0.04 -1.25 -4.46 135.00 128.22 3khj n PRO 44 Ca -0.19 -1.14 -0.34 0.00 -0.04 0.00 0.00 63.50 61.79 3khj n PRO 44 Cb 0.54 -1.45 -0.11 0.00 -0.04 0.00 0.00 33.50 32.44 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 -1.33 3.38 -0.05 1.53 1.43 -1.26 -1.45 118.68 120.92 3khj s LEU 45 Ca 0.23 0.01 0.02 0.00 -1.03 0.00 0.00 54.13 53.36 3khj s LEU 45 Cb 0.18 -1.78 0.02 0.00 0.03 0.00 0.00 46.19 44.64 3khj s LEU 45 CO -0.00 0.30 -0.08 -0.63 0.23 0.00 0.00 176.35 176.17 3khj s ILE 46 N -0.45 0.80 0.10 -0.59 1.01 -0.44 -3.33 121.20 118.29 3khj s ILE 46 Ca 0.07 -0.29 -0.28 0.00 0.00 0.00 0.00 60.65 60.15 3khj s ILE 46 Cb -0.12 -0.76 -0.06 0.00 0.01 0.00 0.00 42.46 41.53 3khj s ILE 46 CO 0.02 0.28 0.87 -0.94 0.00 0.00 0.00 174.94 175.16 3khj s SER 47 N 0.69 7.38 0.85 3.58 1.04 -1.10 -0.09 113.70 126.05 3khj s SER 47 Ca -0.12 1.65 -0.11 0.00 0.48 0.00 0.00 55.95 57.86 3khj s SER 47 Cb -0.14 -2.53 0.11 0.00 0.10 0.00 0.00 66.02 63.55 3khj s SER 47 CO 0.02 0.00 1.13 -0.44 0.98 0.00 0.00 173.24 174.93 3khj s SER 48 N -0.18 3.58 -0.32 7.02 0.01 -0.61 -3.56 113.70 119.63 3khj s SER 48 Ca 0.42 2.08 -0.01 0.00 1.31 0.00 0.00 55.95 59.75 3khj s SER 48 Cb -0.22 -2.55 0.18 0.00 0.21 0.00 0.00 66.02 63.64 3khj s SER 48 CO 0.27 -2.66 2.14 0.00 0.41 0.00 0.00 173.24 173.39 3khj n ALA 49 N -3.84 5.28 -2.87 1.44 0.00 -1.26 -4.13 120.51 115.12 3khj n ALA 49 Ca 0.11 -1.79 -0.34 0.00 0.00 0.00 0.00 53.44 51.42 3khj n ALA 49 Cb 0.52 -1.47 -0.06 0.00 0.00 0.00 0.00 19.45 18.44 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 -1.72 3.36 0.22 0.00 -1.94 -1.26 -4.49 119.30 113.46 3khj s MET 50 Ca 0.34 -0.31 0.19 0.00 -1.71 0.00 0.00 55.69 54.21 3khj s MET 50 Cb 0.26 -3.07 0.88 0.00 2.01 0.00 0.00 34.83 34.91 3khj s MET 50 CO -0.03 0.70 1.57 -0.40 -0.01 0.00 0.00 175.02 176.85 3khj n ASP 51 N 1.28 0.46 -0.08 3.03 3.85 -1.26 -2.07 116.55 121.77 3khj n ASP 51 Ca -0.14 0.66 0.12 0.00 -0.71 0.00 0.00 54.79 54.72 3khj n ASP 51 Cb 0.53 -0.74 0.16 0.00 -1.35 0.00 0.00 41.12 39.72 3khj n ASP 51 CO 0.00 0.00 0.00 1.07 -1.01 0.00 0.00 177.20 177.26 3khj n THR 52 N -2.06 0.00 0.00 2.12 5.66 -1.26 -4.68 114.28 114.06 3khj n THR 52 Ca 0.01 -0.04 0.00 0.00 -3.05 0.00 0.00 64.05 60.97 3khj n THR 52 Cb 0.13 0.54 0.00 0.00 -1.55 0.00 0.00 70.33 69.44 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 -1.26 0.00 -3.76 1.08 3.14 -0.88 -4.23 118.33 112.43 3khj n VAL 53 Ca 0.06 0.00 -0.37 0.00 -2.96 0.00 0.00 64.34 61.07 3khj n VAL 53 Cb 0.35 -1.40 -0.12 0.00 -1.06 0.00 0.00 33.84 31.61 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 -2.00 3.58 0.00 1.55 2.01 -1.07 -4.27 115.64 115.44 3khj s THR 54 Ca 0.00 -1.47 0.00 0.00 0.31 0.00 0.00 61.69 60.53 3khj s THR 54 Cb 0.00 -3.17 0.00 0.00 0.01 0.00 0.00 72.50 69.34 3khj s THR 54 CO 0.00 -0.35 0.00 1.21 -0.69 0.00 0.00 174.62 174.79 3khj n GLU 55 N 4.74 3.89 0.10 4.92 4.07 -1.26 -4.20 120.64 132.90 3khj n GLU 55 Ca -0.10 0.00 -0.17 0.00 -0.06 0.00 0.00 57.16 56.83 3khj n GLU 55 Cb 0.43 0.00 -0.14 0.00 -0.06 0.00 0.00 31.44 31.67 3khj n GLU 55 CO 0.00 0.00 0.00 1.12 -0.06 0.00 0.00 177.13 178.19 3khj h HIS 56 N 0.00 0.55 -0.15 4.31 2.07 -1.89 -2.83 115.15 117.21 3khj h HIS 56 Ca 0.00 -0.40 -0.05 0.00 -2.85 0.00 0.00 60.37 57.07 3khj h HIS 56 Cb 0.00 -0.02 -0.01 0.00 2.57 0.00 0.00 27.41 29.95 3khj h HIS 56 CO 0.00 1.33 -0.11 -0.07 -3.07 0.00 0.00 177.93 176.01 3khj h LEU 57 N 0.08 0.22 0.01 6.12 4.07 -1.97 -0.63 115.31 123.21 3khj h LEU 57 Ca -0.17 -0.04 -0.14 0.00 0.08 0.00 0.00 57.88 57.61 3khj h LEU 57 Cb 2.01 -0.06 0.01 0.00 1.08 0.00 0.00 40.66 43.70 3khj h LEU 57 CO 0.21 0.37 -0.56 -0.03 -1.08 0.00 0.00 178.44 177.34 3khj h MET 58 N 0.23 0.37 -0.60 1.13 -1.53 -1.61 -2.38 114.93 110.53 3khj h MET 58 Ca 0.05 -0.41 -0.05 0.00 -3.44 0.00 0.00 59.70 55.85 3khj h MET 58 Cb 0.35 0.12 -0.03 0.00 -0.55 0.00 0.00 31.60 31.49 3khj h MET 58 CO 0.02 1.09 0.17 0.00 0.14 0.00 0.00 176.91 178.33 3khj h ALA 59 N 0.29 1.17 -0.35 0.39 0.00 -1.27 0.22 119.26 119.72 3khj h ALA 59 Ca -0.07 -0.20 -0.14 0.00 0.00 0.00 0.00 54.91 54.49 3khj h ALA 59 Cb 1.29 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 3khj h ALA 59 CO 0.11 0.57 -0.35 0.28 0.00 0.00 0.00 179.25 179.86 3khj h VAL 60 N 0.88 1.28 -0.52 0.00 2.07 -1.23 -2.42 116.25 116.31 3khj h VAL 60 Ca 0.20 -1.52 -0.02 0.00 0.82 0.00 0.00 66.70 66.18 3khj h VAL 60 Cb 0.28 1.45 -0.02 0.00 -1.52 0.00 0.00 31.29 31.48 3khj h VAL 60 CO -0.01 0.50 0.27 1.23 0.02 0.00 0.00 177.57 179.58 3khj h GLY 61 N 0.65 0.80 0.92 2.17 0.00 -0.89 -0.09 103.07 106.63 3khj h GLY 61 Ca 0.06 -0.38 -0.03 0.00 0.00 0.00 0.00 47.33 46.97 3khj h GLY 61 CO 0.09 0.36 0.10 -0.33 0.00 0.00 0.00 176.54 176.76 3khj h MET 62 N 0.70 0.59 -0.02 4.80 2.86 -0.61 -3.07 114.93 120.17 3khj h MET 62 Ca 0.18 -0.13 -0.11 0.00 -2.06 0.00 0.00 59.70 57.57 3khj h MET 62 Cb 0.09 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 31.65 3khj h MET 62 CO -0.03 0.61 -0.52 0.00 1.06 0.00 0.00 176.91 178.04 3khj h ALA 63 N 0.95 1.11 0.00 6.32 0.00 -1.34 0.60 119.26 126.90 3khj h ALA 63 Ca 0.12 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.55 3khj h ALA 63 Cb 0.28 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3khj h ALA 63 CO -0.00 0.65 0.00 -2.13 0.00 0.00 0.00 179.25 177.77 3khj n ARG 64 N -3.92 0.09 -0.04 0.00 0.63 -0.06 -2.55 116.66 110.81 3khj n ARG 64 Ca -0.02 0.32 0.04 0.00 -0.92 0.00 0.00 57.85 57.27 3khj n ARG 64 Cb 0.54 -1.67 0.06 0.00 0.45 0.00 0.00 32.46 31.83 3khj n ARG 64 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 3khj n LEU 65 N -1.85 2.00 0.00 6.15 4.77 -0.99 -4.99 117.00 122.09 3khj n LEU 65 Ca 0.03 -1.36 0.00 0.00 -0.03 0.00 0.00 56.01 54.65 3khj n LEU 65 Cb 0.21 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 3khj n LEU 65 CO 0.17 0.45 0.00 0.61 -1.33 0.00 0.00 177.39 177.29 3khj n GLY 66 N 0.34 0.46 0.00 -0.72 0.00 -1.06 -4.71 105.19 99.51 3khj n GLY 66 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 -1.56 1.24 3.16 -0.02 0.00 0.17 -1.85 105.19 106.32 3khj n GLY 67 Ca 0.00 -1.85 -0.12 0.00 0.00 0.00 0.00 46.02 44.05 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 1.60 0.07 -0.07 -0.61 2.07 -1.21 -3.66 121.20 119.38 3khj s ILE 68 Ca 0.00 -0.56 0.03 0.00 -1.41 0.00 0.00 60.65 58.71 3khj s ILE 68 Cb 0.00 -0.49 -0.02 0.00 0.13 0.00 0.00 42.46 42.08 3khj s ILE 68 CO 0.00 -0.31 -0.15 -0.83 -1.91 0.00 0.00 174.94 171.75 3khj s GLY 69 N -1.25 1.51 -0.26 1.50 0.00 -1.26 -2.73 107.32 104.84 3khj s GLY 69 Ca -0.13 -0.96 -0.05 0.00 0.00 0.00 0.00 44.72 43.58 3khj s GLY 69 CO 0.02 -0.58 0.03 -0.42 0.00 0.00 0.00 173.10 172.15 3khj s ILE 70 N -0.35 3.75 0.06 0.90 1.09 -1.23 -0.64 121.20 124.78 3khj s ILE 70 Ca 0.03 -0.55 -0.31 0.00 -1.10 0.00 0.00 60.65 58.72 3khj s ILE 70 Cb -0.12 -2.82 -0.06 0.00 -1.06 0.00 0.00 42.46 38.40 3khj s ILE 70 CO 0.02 0.25 1.18 -0.63 -0.10 0.00 0.00 174.94 175.67 3khj s ILE 71 N 1.50 4.08 0.61 2.92 -1.09 -0.17 -4.20 121.20 124.84 3khj s ILE 71 Ca 0.04 1.50 -0.18 0.00 -2.23 0.00 0.00 60.65 59.79 3khj s ILE 71 Cb -0.16 -3.96 -0.03 0.00 -1.58 0.00 0.00 42.46 36.73 3khj s ILE 71 CO 0.00 0.12 1.15 -1.38 -1.23 0.00 0.00 174.94 173.61 3khj s HIS 72 N 1.00 2.51 -0.39 3.97 -3.43 -1.26 -1.23 115.29 116.46 3khj s HIS 72 Ca 0.58 1.54 0.06 0.00 -0.80 0.00 0.00 55.06 56.45 3khj s HIS 72 Cb -0.29 -3.33 0.70 0.00 -1.43 0.00 0.00 32.58 28.23 3khj s HIS 72 CO 0.29 -1.89 1.86 0.36 -2.00 0.00 0.00 174.74 173.36 3khj n LYS 73 N -1.83 2.92 -0.35 -0.38 -0.00 -1.26 -4.52 118.16 112.74 3khj n LYS 73 Ca 0.12 -2.99 0.03 0.00 -0.00 0.00 0.00 58.31 55.47 3khj n LYS 73 Cb 0.51 -2.18 0.17 0.00 -0.00 0.00 0.00 35.03 33.52 3khj n LYS 73 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 3khj n ASN 74 N -0.66 2.84 -3.87 -5.58 2.85 -1.26 -4.84 115.26 104.74 3khj n ASN 74 Ca 0.50 -2.35 -0.09 0.00 -0.11 0.00 0.00 54.58 52.54 3khj n ASN 74 Cb 1.53 -0.53 -0.07 0.00 1.24 0.00 0.00 39.78 41.95 3khj n ASN 74 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3khj s MET 75 N -1.73 0.90 0.78 1.20 0.23 -1.26 -5.10 119.30 114.32 3khj s MET 75 Ca 0.23 -1.00 -0.15 0.00 -1.03 0.00 0.00 55.69 53.75 3khj s MET 75 Cb 0.17 0.35 0.02 0.00 -1.53 0.00 0.00 34.83 33.84 3khj s MET 75 CO 0.08 -0.30 0.85 -0.40 -2.03 0.00 0.00 175.02 173.22 3khj n ASP 76 N -0.09 -0.14 0.29 -1.18 5.75 -1.26 -4.71 116.55 115.20 3khj n ASP 76 Ca -0.14 0.58 0.17 0.00 -0.01 0.00 0.00 54.79 55.39 3khj n ASP 76 Cb 0.63 -1.36 0.94 0.00 -1.03 0.00 0.00 41.12 40.30 3khj n ASP 76 CO 0.00 0.00 0.00 0.24 -0.11 0.00 0.00 177.20 177.33 3khj h MET 77 N -0.64 0.00 -0.78 0.11 2.86 -2.00 -1.49 114.93 112.99 3khj h MET 77 Ca -0.46 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.16 3khj h MET 77 Cb 1.32 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.94 3khj h MET 77 CO 0.44 0.00 0.42 0.93 1.06 0.00 0.00 176.91 179.75 3khj h GLU 78 N 0.00 1.10 0.04 1.72 4.39 -2.01 -2.96 114.58 116.85 3khj h GLU 78 Ca 0.02 -0.13 -0.08 0.00 0.34 0.00 0.00 59.36 59.51 3khj h GLU 78 Cb 0.12 -0.21 0.00 0.00 -0.10 0.00 0.00 28.75 28.56 3khj h GLU 78 CO -0.00 0.81 -0.39 0.77 -1.16 0.00 0.00 179.01 179.05 3khj h SER 79 N 1.10 0.14 -0.84 1.42 0.02 -1.61 -3.33 113.55 110.44 3khj h SER 79 Ca 0.28 -0.94 -0.01 0.00 -0.84 0.00 0.00 61.79 60.28 3khj h SER 79 Cb 0.05 -0.04 -0.04 0.00 0.14 0.00 0.00 62.40 62.50 3khj h SER 79 CO -0.04 1.17 0.48 -0.61 -1.14 0.00 0.00 176.83 176.69 3khj h GLN 80 N -0.81 1.15 -0.65 3.45 4.15 -1.54 -0.63 115.11 120.24 3khj h GLN 80 Ca -0.08 -0.12 -0.04 0.00 0.77 0.00 0.00 58.65 59.17 3khj h GLN 80 Cb 1.23 -0.23 -0.03 0.00 0.21 0.00 0.00 27.48 28.65 3khj h GLN 80 CO 0.02 0.83 0.23 0.28 -1.93 0.00 0.00 178.83 178.27 3khj h VAL 81 N 1.16 1.24 -0.13 2.39 2.07 -1.71 -2.16 116.25 119.10 3khj h VAL 81 Ca 0.30 -0.79 -0.06 0.00 0.82 0.00 0.00 66.70 66.96 3khj h VAL 81 Cb -0.00 0.55 -0.01 0.00 -1.52 0.00 0.00 31.29 30.30 3khj h VAL 81 CO -0.05 0.31 -0.21 0.78 0.02 0.00 0.00 177.57 178.42 3khj h ASN 82 N 0.92 0.22 -0.20 0.57 2.35 -1.53 -1.97 115.58 115.94 3khj h ASN 82 Ca 0.21 -0.06 -0.11 0.00 -0.55 0.00 0.00 56.30 55.79 3khj h ASN 82 Cb 0.25 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 38.55 3khj h ASN 82 CO -0.01 0.44 -0.26 -0.33 -1.65 0.00 0.00 177.43 175.62 3khj h GLU 83 N 0.21 0.68 -0.46 0.81 4.39 -0.72 -0.62 114.58 118.86 3khj h GLU 83 Ca 0.04 -0.28 -0.12 0.00 0.34 0.00 0.00 59.36 59.34 3khj h GLU 83 Cb 0.50 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.11 3khj h GLU 83 CO 0.03 0.87 -0.18 0.28 -1.16 0.00 0.00 179.01 178.86 3khj h VAL 84 N 0.59 1.27 -0.49 3.13 2.07 -1.16 -3.15 116.25 118.51 3khj h VAL 84 Ca 0.08 -1.33 -0.01 0.00 0.82 0.00 0.00 66.70 66.26 3khj h VAL 84 Cb 0.75 1.15 -0.02 0.00 -1.52 0.00 0.00 31.29 31.65 3khj h VAL 84 CO 0.06 0.46 0.26 -0.07 0.02 0.00 0.00 177.57 178.29 3khj h LEU 85 N 0.78 0.62 -2.19 2.57 4.07 -1.14 -2.72 115.31 117.30 3khj h LEU 85 Ca 0.11 -0.11 -0.01 0.00 0.08 0.00 0.00 57.88 57.96 3khj h LEU 85 Cb 0.74 -0.16 -0.00 0.00 1.08 0.00 0.00 40.66 42.32 3khj h LEU 85 CO 0.06 0.55 -0.03 0.11 -1.08 0.00 0.00 178.44 178.05 3khj h LYS 86 N 0.65 0.00 0.23 1.13 1.57 -1.10 0.37 116.57 119.42 3khj h LYS 86 Ca 0.17 0.00 -0.33 0.00 -1.87 0.00 0.00 60.65 58.62 3khj h LYS 86 Cb 0.08 0.00 0.04 0.00 0.08 0.00 0.00 32.23 32.42 3khj h LYS 86 CO -0.03 0.03 -1.43 0.28 -0.57 0.00 0.00 179.45 177.73 3khj h VAL 87 N 0.00 1.29 -0.35 0.50 2.07 -1.48 -2.93 116.25 115.35 3khj h VAL 87 Ca -0.00 -2.68 -0.16 0.00 0.82 0.00 0.00 66.70 64.68 3khj h VAL 87 Cb 0.06 2.98 -0.00 0.00 -1.52 0.00 0.00 31.29 32.80 3khj h VAL 87 CO 0.00 0.80 -0.42 0.11 0.02 0.00 0.00 177.57 178.08 3khj h LYS 88 N 0.17 0.90 0.00 1.57 1.57 -1.03 -3.03 116.57 116.72 3khj h LYS 88 Ca -0.24 -0.50 -0.00 0.00 -1.87 0.00 0.00 60.65 58.03 3khj h LYS 88 Cb 2.12 0.03 -0.00 0.00 0.08 0.00 0.00 32.23 34.46 3khj h LYS 88 CO 0.27 1.15 -0.01 -0.97 -0.57 0.00 0.00 179.45 179.32 3khj h ASN 89 N 0.70 0.00 0.21 0.86 -0.73 -0.41 0.13 115.58 116.34 3khj h ASN 89 Ca 0.05 0.00 -0.13 0.00 1.87 0.00 0.00 56.30 58.09 3khj h ASN 89 Cb 1.02 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 39.60 3khj h ASN 89 CO 0.10 0.01 -0.47 -1.28 -0.37 0.00 0.00 177.43 175.42 3khj h SER 90 N 0.00 0.34 0.00 1.15 0.87 -1.38 -3.44 113.55 111.08 3khj h SER 90 Ca -0.00 -0.16 0.00 0.00 -1.23 0.00 0.00 61.79 60.40 3khj h SER 90 Cb 0.44 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 62.30 3khj h SER 90 CO 0.00 0.76 0.00 0.61 -0.53 0.00 0.00 176.83 177.68 3khj n GLY 91 N -0.00 0.00 3.27 5.77 0.00 -1.09 -5.03 105.19 108.11 3khj n GLY 91 Ca -0.02 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.19 3.92 -0.02 0.00 0.45 -5.03 105.19 103.32 3khj n GLY 92 Ca 0.00 0.52 -0.22 0.00 0.00 0.00 0.00 46.02 46.32 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 -4.87 3.16 -0.11 0.99 1.43 -1.25 -5.03 118.68 113.00 3khj s LEU 135 Ca 0.21 -0.89 -0.30 0.00 -1.03 0.00 0.00 54.13 52.13 3khj s LEU 135 Cb -0.04 -1.77 -0.02 0.00 0.03 0.00 0.00 46.19 44.39 3khj s LEU 135 CO 0.78 -0.91 1.26 -0.13 0.23 0.00 0.00 176.35 177.57 3khj s ARG 136 N -4.28 4.28 0.07 1.70 1.81 -1.26 -4.76 118.95 116.50 3khj s ARG 136 Ca 0.47 1.70 0.09 0.00 -1.72 0.00 0.00 55.73 56.27 3khj s ARG 136 Cb -0.04 -3.68 -0.03 0.00 -0.45 0.00 0.00 34.95 30.75 3khj s ARG 136 CO 0.28 -0.61 -0.24 0.08 -0.68 0.00 0.00 175.30 174.13 3khj s VAL 137 N 2.97 2.00 0.15 3.52 1.01 -1.26 -4.32 120.40 124.47 3khj s VAL 137 Ca 0.56 -1.44 0.05 0.00 0.00 0.00 0.00 61.98 61.15 3khj s VAL 137 Cb -0.24 -1.74 -0.04 0.00 0.00 0.00 0.00 36.38 34.36 3khj s VAL 137 CO 0.19 0.22 -0.11 -0.83 0.00 0.00 0.00 175.10 174.56 3khj s GLY 138 N -1.47 1.09 -0.01 4.51 0.00 0.19 -1.98 107.32 109.66 3khj s GLY 138 Ca 0.11 -1.47 -0.06 0.00 0.00 0.00 0.00 44.72 43.29 3khj s GLY 138 CO 0.03 -1.56 0.12 0.00 0.00 0.00 0.00 173.10 171.69 3khj s ALA 139 N -3.09 -0.29 -0.07 3.20 0.00 -1.03 -1.00 121.76 119.47 3khj s ALA 139 Ca 0.16 -0.08 -0.01 0.00 0.00 0.00 0.00 51.96 52.03 3khj s ALA 139 Cb 0.01 0.05 -0.03 0.00 0.00 0.00 0.00 23.12 23.15 3khj s ALA 139 CO 0.01 -0.18 -0.01 0.00 0.00 0.00 0.00 175.76 175.58 3khj s ALA 140 N -1.13 3.23 0.09 0.00 0.00 -0.36 0.14 121.76 123.73 3khj s ALA 140 Ca -0.12 -0.84 0.03 0.00 0.00 0.00 0.00 51.96 51.04 3khj s ALA 140 Cb -0.07 -1.42 -0.04 0.00 0.00 0.00 0.00 23.12 21.60 3khj s ALA 140 CO 0.01 0.59 -0.10 0.96 0.00 0.00 0.00 175.76 177.23 3khj s ILE 141 N -0.89 0.89 0.00 0.00 -4.36 -0.21 -4.20 121.20 112.43 3khj s ILE 141 Ca 0.14 -1.63 0.00 0.00 -0.26 0.00 0.00 60.65 58.90 3khj s ILE 141 Cb -0.11 -1.34 0.00 0.00 1.25 0.00 0.00 42.46 42.26 3khj s ILE 141 CO 0.03 -0.57 0.00 0.61 0.24 0.00 0.00 174.94 175.25 3khj n GLY 142 N 0.57 1.61 3.76 6.27 0.00 -1.26 -1.76 105.19 114.37 3khj n GLY 142 Ca -0.16 -2.02 -0.39 0.00 0.00 0.00 0.00 46.02 43.44 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 1.47 3.65 0.00 1.61 0.11 -1.26 -3.68 120.40 122.29 3khj s VAL 143 Ca 0.00 1.58 0.00 0.00 -2.93 0.00 0.00 61.98 60.63 3khj s VAL 143 Cb 0.00 -3.98 0.00 0.00 -1.53 0.00 0.00 36.38 30.87 3khj s VAL 143 CO 0.00 0.32 0.00 0.59 -3.33 0.00 0.00 175.10 172.68 3khj n ASN 144 N 1.00 -0.84 -3.66 3.54 3.02 -1.26 -4.90 115.26 112.16 3khj n ASN 144 Ca -0.00 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.13 3khj n ASN 144 Cb 0.46 -1.77 -0.00 0.00 -0.61 0.00 0.00 39.78 37.86 3khj n ASN 144 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3khj n GLU 145 N -1.73 3.32 0.07 3.52 1.02 -1.24 -4.59 120.64 121.02 3khj n GLU 145 Ca 0.00 -2.80 -0.19 0.00 -0.02 0.00 0.00 57.16 54.15 3khj n GLU 145 Cb 0.06 -3.06 -0.10 0.00 -0.02 0.00 0.00 31.44 28.31 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 3.64 1.33 -0.57 -3.67 1.08 -1.91 -2.85 117.51 114.56 3khj h ILE 146 Ca 0.60 -2.45 0.02 0.00 -0.39 0.00 0.00 64.86 62.64 3khj h ILE 146 Cb 0.54 2.56 -0.04 0.00 -3.07 0.00 0.00 36.82 36.82 3khj h ILE 146 CO 1.78 0.74 0.35 -0.08 -0.69 0.00 0.00 178.15 180.26 3khj h GLU 147 N 0.28 0.68 -0.30 2.37 4.57 -2.01 -0.59 114.58 119.58 3khj h GLU 147 Ca -0.14 -0.04 -0.08 0.00 -1.18 0.00 0.00 59.36 57.91 3khj h GLU 147 Cb 1.78 -0.15 -0.02 0.00 -0.16 0.00 0.00 28.75 30.20 3khj h GLU 147 CO 0.21 0.45 -0.17 -0.09 -1.18 0.00 0.00 179.01 178.23 3khj h ARG 148 N 0.70 0.53 -0.16 1.92 2.43 -1.94 -3.08 114.38 114.78 3khj h ARG 148 Ca 0.23 -0.17 -0.07 0.00 -0.81 0.00 0.00 59.98 59.15 3khj h ARG 148 Cb 0.01 -0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 29.51 3khj h ARG 148 CO -0.09 0.68 -0.19 0.00 -1.51 0.00 0.00 179.97 178.86 3khj h ALA 149 N 1.34 0.24 -0.85 2.80 0.00 -1.18 -3.15 119.26 118.46 3khj h ALA 149 Ca 0.08 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.65 3khj h ALA 149 Cb 0.57 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.27 3khj h ALA 149 CO 0.04 0.16 0.54 1.57 0.00 0.00 0.00 179.25 181.56 3khj h LYS 150 N 0.05 1.14 0.00 0.00 -0.00 -1.11 -1.99 116.57 114.66 3khj h LYS 150 Ca 0.02 -0.09 -0.08 0.00 -0.00 0.00 0.00 60.65 60.51 3khj h LYS 150 Cb 0.73 -0.25 -0.01 0.00 -0.00 0.00 0.00 32.23 32.71 3khj h LYS 150 CO 0.05 0.78 -0.39 -0.07 -0.00 0.00 0.00 179.45 179.81 3khj h LEU 151 N 1.16 0.00 -0.10 7.07 3.38 -1.60 -2.87 115.31 122.35 3khj h LEU 151 Ca 0.31 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 58.03 3khj h LEU 151 Cb -0.09 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.68 3khj h LEU 151 CO -0.06 0.39 -0.94 -0.07 0.09 0.00 0.00 178.44 177.85 3khj h LEU 152 N 0.00 0.83 -0.90 1.67 3.38 -1.33 -1.71 115.31 117.24 3khj h LEU 152 Ca -0.00 -0.62 -0.03 0.00 0.09 0.00 0.00 57.88 57.32 3khj h LEU 152 Cb 0.73 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 41.19 3khj h LEU 152 CO 0.05 1.42 0.42 0.58 0.09 0.00 0.00 178.44 181.00 3khj h VAL 153 N 0.40 1.26 0.00 1.22 2.07 -1.36 -1.84 116.25 118.00 3khj h VAL 153 Ca -0.09 -0.70 -0.10 0.00 0.82 0.00 0.00 66.70 66.63 3khj h VAL 153 Cb 1.58 0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 31.48 3khj h VAL 153 CO 0.18 0.30 -0.45 -0.33 0.02 0.00 0.00 177.57 177.29 3khj h GLU 154 N 1.21 0.00 0.00 1.57 5.08 -1.52 -3.12 114.58 117.79 3khj h GLU 154 Ca 0.29 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.58 3khj h GLU 154 Cb 0.09 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 3khj h GLU 154 CO -0.04 0.45 -0.37 0.00 -1.00 0.00 0.00 179.01 178.05 3khj h ALA 155 N 1.55 1.04 0.00 3.43 0.00 -0.50 -3.47 119.26 121.31 3khj h ALA 155 Ca -0.00 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.57 3khj h ALA 155 Cb 0.94 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.67 3khj h ALA 155 CO 0.06 0.47 0.00 0.41 0.00 0.00 0.00 179.25 180.19 3khj n GLY 156 N 0.12 1.90 3.78 0.00 0.00 -0.89 -4.70 105.19 105.39 3khj n GLY 156 Ca -0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.64 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 3.65 -0.02 1.61 0.11 -1.05 -4.86 120.40 117.83 3khj s VAL 157 Ca 0.00 1.34 -0.17 0.00 -2.93 0.00 0.00 61.98 60.22 3khj s VAL 157 Cb 0.00 -3.73 -0.33 0.00 -1.53 0.00 0.00 36.38 30.80 3khj s VAL 157 CO 0.00 0.08 0.85 0.44 -3.33 0.00 0.00 175.10 173.13 3khj h ASP 158 N 2.74 0.65 -3.88 3.54 5.19 -1.76 -3.47 116.42 119.43 3khj h ASP 158 Ca -0.48 -0.92 -0.28 0.00 -0.62 0.00 0.00 57.03 54.72 3khj h ASP 158 Cb 1.22 -0.21 -0.28 0.00 0.18 0.00 0.00 39.33 40.24 3khj h ASP 158 CO 0.63 1.64 -0.74 -0.69 -3.12 0.00 0.00 179.24 176.96 3khj s VAL 159 N -2.53 0.25 -0.22 -1.35 1.01 -1.20 -4.42 120.40 111.94 3khj s VAL 159 Ca -0.13 -0.17 -0.08 0.00 0.00 0.00 0.00 61.98 61.60 3khj s VAL 159 Cb 0.03 -0.22 -0.04 0.00 0.00 0.00 0.00 36.38 36.16 3khj s VAL 159 CO 0.87 0.05 0.08 -0.63 0.00 0.00 0.00 175.10 175.47 3khj s ILE 160 N -0.13 4.62 -0.30 2.22 -1.09 -0.92 -2.48 121.20 123.13 3khj s ILE 160 Ca 0.01 -0.08 -0.11 0.00 -2.23 0.00 0.00 60.65 58.24 3khj s ILE 160 Cb -0.02 -3.13 -0.03 0.00 -1.58 0.00 0.00 42.46 37.71 3khj s ILE 160 CO -0.00 0.38 0.18 -0.69 -1.23 0.00 0.00 174.94 173.58 3khj s VAL 161 N 1.06 4.99 -1.19 2.92 1.01 0.12 -0.35 120.40 128.95 3khj s VAL 161 Ca 0.04 -0.11 -0.13 0.00 0.00 0.00 0.00 61.98 61.78 3khj s VAL 161 Cb -0.14 -3.46 0.18 0.00 0.00 0.00 0.00 36.38 32.97 3khj s VAL 161 CO 0.03 0.16 1.39 -0.22 0.00 0.00 0.00 175.10 176.46 3khj s LEU 162 N 1.70 5.20 0.26 3.92 0.20 0.26 -1.04 118.68 129.18 3khj s LEU 162 Ca 0.06 -3.05 -0.29 0.00 0.69 0.00 0.00 54.13 51.53 3khj s LEU 162 Cb -0.16 -2.38 -0.09 0.00 -0.43 0.00 0.00 46.19 43.12 3khj s LEU 162 CO 0.09 -0.70 1.14 -1.81 -0.29 0.00 0.00 176.35 174.78 3khj s ASP 163 N 2.66 7.18 -0.02 3.68 1.01 -0.73 -2.66 116.67 127.80 3khj s ASP 163 Ca 0.41 2.30 -0.27 0.00 0.71 0.00 0.00 52.55 55.70 3khj s ASP 163 Cb -0.04 -2.62 0.06 0.00 1.01 0.00 0.00 42.92 41.33 3khj s ASP 163 CO -0.01 -0.23 0.60 -0.55 0.21 0.00 0.00 175.17 175.18 3khj s SER 164 N -0.59 -0.55 0.20 0.27 0.15 -0.67 -4.47 113.70 108.03 3khj s SER 164 Ca 0.47 0.51 -0.08 0.00 0.70 0.00 0.00 55.95 57.55 3khj s SER 164 Cb -0.33 0.50 0.11 0.00 -1.71 0.00 0.00 66.02 64.60 3khj s SER 164 CO 0.41 -0.62 1.65 0.00 1.20 0.00 0.00 173.24 175.88 3khj h ALA 165 N 3.04 0.87 -3.44 5.45 0.00 -1.92 -2.30 119.26 120.95 3khj h ALA 165 Ca -0.28 -0.32 -0.56 0.00 0.00 0.00 0.00 54.91 53.75 3khj h ALA 165 Cb 1.17 -0.21 -0.39 0.00 0.00 0.00 0.00 17.79 18.35 3khj h ALA 165 CO 0.39 0.66 -0.78 -1.58 0.00 0.00 0.00 179.25 177.94 3khj s HIS 166 N -4.97 1.72 -0.35 0.00 5.65 -1.26 -4.61 115.29 111.47 3khj s HIS 166 Ca -0.11 -1.29 0.21 0.00 0.25 0.00 0.00 55.06 54.12 3khj s HIS 166 Cb 0.14 -1.31 0.24 0.00 -1.18 0.00 0.00 32.58 30.47 3khj s HIS 166 CO 0.85 -0.68 1.53 0.78 -0.65 0.00 0.00 174.74 176.57 3khj h GLY 167 N 8.10 0.00 -6.52 1.59 0.00 -1.22 -3.39 103.07 101.63 3khj h GLY 167 Ca -0.18 0.00 -0.78 0.00 0.00 0.00 0.00 47.33 46.38 3khj h GLY 167 CO 0.38 0.00 1.60 1.57 0.00 0.00 0.00 176.54 180.09 3khj n HIS 168 N -3.12 2.64 -4.10 5.60 -0.00 -1.26 -4.73 115.22 110.25 3khj n HIS 168 Ca 0.03 -2.70 -0.09 0.00 0.46 0.00 0.00 57.72 55.42 3khj n HIS 168 Cb 0.59 -1.67 -0.10 0.00 -0.12 0.00 0.00 29.99 28.69 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 -0.19 0.72 0.25 0.26 1.04 -1.26 -5.05 113.70 109.46 3khj s SER 169 Ca 0.38 -0.87 -0.05 0.00 0.48 0.00 0.00 55.95 55.88 3khj s SER 169 Cb 0.09 0.13 0.27 0.00 0.10 0.00 0.00 66.02 66.61 3khj s SER 169 CO 0.03 -0.46 1.89 0.25 0.98 0.00 0.00 173.24 175.92 3khj h LEU 170 N 3.47 1.09 -1.27 2.42 6.46 -1.96 -2.46 115.31 123.06 3khj h LEU 170 Ca -0.34 -0.08 0.04 0.00 -0.12 0.00 0.00 57.88 57.38 3khj h LEU 170 Cb 1.17 -0.28 -0.04 0.00 -0.73 0.00 0.00 40.66 40.78 3khj h LEU 170 CO 0.59 0.85 0.51 0.78 -0.62 0.00 0.00 178.44 180.55 3khj h ASN 171 N 1.24 0.82 -0.04 1.25 4.21 -1.96 0.11 115.58 121.20 3khj h ASN 171 Ca 0.32 -0.01 -0.11 0.00 1.21 0.00 0.00 56.30 57.71 3khj h ASN 171 Cb -0.02 -0.19 0.01 0.00 -1.12 0.00 0.00 38.32 37.00 3khj h ASN 171 CO -0.06 0.56 -0.39 0.40 -1.29 0.00 0.00 177.43 176.65 3khj h ILE 172 N 0.95 1.45 -0.60 2.81 1.08 -1.80 -2.94 117.51 118.45 3khj h ILE 172 Ca 0.31 -1.88 -0.02 0.00 -0.39 0.00 0.00 64.86 62.88 3khj h ILE 172 Cb 0.07 2.50 -0.03 0.00 -3.07 0.00 0.00 36.82 36.29 3khj h ILE 172 CO -0.09 0.54 0.29 0.40 -0.69 0.00 0.00 178.15 178.60 3khj h ILE 173 N -0.21 1.21 -0.54 -0.67 2.04 -1.14 -1.18 117.51 117.02 3khj h ILE 173 Ca -0.04 -0.58 -0.04 0.00 1.00 0.00 0.00 64.86 65.20 3khj h ILE 173 Cb 1.08 0.49 -0.03 0.00 -0.74 0.00 0.00 36.82 37.63 3khj h ILE 173 CO 0.08 0.24 0.17 -0.09 0.00 0.00 0.00 178.15 178.54 3khj h ARG 174 N 0.81 0.81 -0.37 2.37 2.43 -0.90 -2.53 114.38 117.00 3khj h ARG 174 Ca 0.21 -0.14 -0.06 0.00 -0.81 0.00 0.00 59.98 59.17 3khj h ARG 174 Cb 0.11 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.51 3khj h ARG 174 CO -0.03 0.70 -0.01 1.15 -1.51 0.00 0.00 179.97 180.27 3khj h THR 175 N 0.79 1.26 -0.51 0.20 2.02 -1.29 -3.10 112.91 112.28 3khj h THR 175 Ca 0.18 -1.02 0.08 0.00 0.77 0.00 0.00 66.41 66.42 3khj h THR 175 Cb 0.23 1.19 -0.06 0.00 -1.74 0.00 0.00 68.15 67.76 3khj h THR 175 CO -0.01 0.34 0.15 0.25 0.37 0.00 0.00 175.52 176.62 3khj h LEU 176 N 0.48 0.11 -0.68 2.58 6.46 -0.83 -2.37 115.31 121.06 3khj h LEU 176 Ca 0.10 0.07 0.00 0.00 -0.12 0.00 0.00 57.88 57.94 3khj h LEU 176 Cb 0.49 0.08 -0.03 0.00 -0.73 0.00 0.00 40.66 40.46 3khj h LEU 176 CO 0.02 0.09 0.43 0.11 -0.62 0.00 0.00 178.44 178.47 3khj h LYS 177 N 0.31 0.91 0.00 1.25 1.57 -1.47 -2.69 116.57 116.44 3khj h LYS 177 Ca 0.25 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 58.94 3khj h LYS 177 Cb 0.31 -0.20 -0.00 0.00 0.08 0.00 0.00 32.23 32.42 3khj h LYS 177 CO -0.29 0.62 -0.11 1.49 -0.57 0.00 0.00 179.45 180.59 3khj h GLU 178 N 0.92 0.00 0.00 3.15 4.81 -1.37 -2.35 114.58 119.74 3khj h GLU 178 Ca 0.25 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.47 3khj h GLU 178 Cb -0.07 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.31 3khj h GLU 178 CO -0.05 0.11 -0.02 0.82 -0.73 0.00 0.00 179.01 179.14 3khj h ILE 179 N 0.00 1.65 -0.01 2.32 2.04 -1.13 -3.30 117.51 119.09 3khj h ILE 179 Ca -0.00 -1.96 -0.10 0.00 1.00 0.00 0.00 64.86 63.80 3khj h ILE 179 Cb 0.63 2.98 -0.01 0.00 -0.74 0.00 0.00 36.82 39.67 3khj h ILE 179 CO 0.01 0.51 -0.49 0.11 0.00 0.00 0.00 178.15 178.30 3khj h LYS 180 N -0.80 0.03 -0.72 2.37 1.79 -1.46 0.57 116.57 118.34 3khj h LYS 180 Ca -0.00 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.45 3khj h LYS 180 Cb 0.85 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.50 3khj h LYS 180 CO 0.00 0.51 0.00 0.43 -1.08 0.00 0.00 179.45 179.31 3khj n SER 181 N -3.96 3.03 0.00 0.86 7.64 -0.89 -3.92 113.62 116.38 3khj n SER 181 Ca -0.02 -2.37 0.00 0.00 1.01 0.00 0.00 58.87 57.50 3khj n SER 181 Cb 0.51 -0.53 0.00 0.00 -1.01 0.00 0.00 64.21 63.18 3khj n SER 181 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 3khj n LYS 182 N 0.34 0.17 -4.54 1.43 5.02 -1.11 -5.03 118.16 114.44 3khj n LYS 182 Ca 0.13 0.00 -0.21 0.00 -2.02 0.00 0.00 58.31 56.21 3khj n LYS 182 Cb 0.63 -0.57 -0.15 0.00 -0.02 0.00 0.00 35.03 34.92 3khj n LYS 182 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 3khj s MET 183 N -1.14 1.02 -0.91 1.97 -1.94 0.18 -5.10 119.30 113.38 3khj s MET 183 Ca 0.00 -0.42 -0.10 0.00 -1.71 0.00 0.00 55.69 53.46 3khj s MET 183 Cb 0.00 -0.97 0.23 0.00 2.01 0.00 0.00 34.83 36.10 3khj s MET 183 CO 0.00 0.24 0.85 0.54 -0.01 0.00 0.00 175.02 176.64 3khj s ASN 184 N -0.20 6.71 -0.06 3.03 4.22 -1.26 -4.07 114.94 123.32 3khj s ASN 184 Ca 0.03 -3.12 -0.16 0.00 -2.14 0.00 0.00 52.86 47.47 3khj s ASN 184 Cb -0.06 -2.14 0.03 0.00 1.28 0.00 0.00 41.25 40.36 3khj s ASN 184 CO -0.00 -0.42 0.37 -0.51 -2.04 0.00 0.00 177.10 174.50 3khj s ILE 185 N -0.50 0.03 0.17 0.54 1.10 -1.26 -5.15 121.20 116.14 3khj s ILE 185 Ca 0.23 -0.29 -0.31 0.00 -0.51 0.00 0.00 60.65 59.77 3khj s ILE 185 Cb -0.11 -0.63 -0.09 0.00 0.15 0.00 0.00 42.46 41.78 3khj s ILE 185 CO -0.08 -0.16 1.48 -1.81 -2.11 0.00 0.00 174.94 172.26 3khj s ASP 186 N -0.85 6.68 -0.15 4.50 -0.00 -1.26 -4.90 116.67 120.68 3khj s ASP 186 Ca -0.09 2.54 0.01 0.00 -0.00 0.00 0.00 52.55 55.00 3khj s ASP 186 Cb -0.04 -2.60 0.00 0.00 -0.00 0.00 0.00 42.92 40.28 3khj s ASP 186 CO 0.04 -0.74 -0.17 -0.69 -0.00 0.00 0.00 175.17 173.60 3khj s VAL 187 N 0.88 2.48 -0.18 -1.27 1.01 -1.26 -2.15 120.40 119.91 3khj s VAL 187 Ca 0.66 -0.83 -0.14 0.00 0.00 0.00 0.00 61.98 61.67 3khj s VAL 187 Cb -0.41 -2.03 -0.04 0.00 0.00 0.00 0.00 36.38 33.89 3khj s VAL 187 CO 0.33 0.52 0.31 -0.63 0.00 0.00 0.00 175.10 175.64 3khj s ILE 188 N 0.85 5.28 -0.12 2.22 1.01 0.52 -1.57 121.20 129.39 3khj s ILE 188 Ca -0.05 0.56 0.01 0.00 0.00 0.00 0.00 60.65 61.17 3khj s ILE 188 Cb -0.15 -3.65 -0.01 0.00 0.01 0.00 0.00 42.46 38.66 3khj s ILE 188 CO -0.01 0.35 -0.16 -0.69 0.00 0.00 0.00 174.94 174.43 3khj s VAL 189 N 0.73 2.81 0.29 2.92 1.01 0.46 0.91 120.40 129.55 3khj s VAL 189 Ca 0.17 -0.75 -0.16 0.00 0.00 0.00 0.00 61.98 61.23 3khj s VAL 189 Cb -0.13 -2.15 0.02 0.00 0.00 0.00 0.00 36.38 34.11 3khj s VAL 189 CO 0.05 0.54 0.64 -0.83 0.00 0.00 0.00 175.10 175.50 3khj s GLY 190 N 0.26 0.30 0.11 4.51 0.00 -1.09 -0.87 107.32 110.54 3khj s GLY 190 Ca -0.11 -0.65 0.03 0.00 0.00 0.00 0.00 44.72 43.99 3khj s GLY 190 CO 0.06 -0.36 0.14 -1.31 0.00 0.00 0.00 173.10 171.64 3khj s ASN 191 N -3.00 5.76 -0.02 1.64 -0.87 -0.86 -1.67 114.94 115.91 3khj s ASN 191 Ca 0.17 0.02 -0.07 0.00 -1.57 0.00 0.00 52.86 51.41 3khj s ASN 191 Cb -0.04 -1.60 0.00 0.00 -0.02 0.00 0.00 41.25 39.60 3khj s ASN 191 CO 0.09 0.12 0.14 0.54 -2.57 0.00 0.00 177.10 175.43 3khj s VAL 192 N -1.56 0.06 0.00 1.60 0.11 -0.89 -0.88 120.40 118.83 3khj s VAL 192 Ca 0.31 -0.49 0.00 0.00 -2.93 0.00 0.00 61.98 58.87 3khj s VAL 192 Cb -0.11 -0.37 0.00 0.00 -1.53 0.00 0.00 36.38 34.37 3khj s VAL 192 CO 0.24 -0.27 0.00 1.33 -3.33 0.00 0.00 175.10 173.07 3khj n VAL 193 N 1.92 0.00 -3.81 2.04 0.24 -1.26 -2.83 118.33 114.64 3khj n VAL 193 Ca -0.20 -0.07 -0.30 0.00 -2.04 0.00 0.00 64.34 61.73 3khj n VAL 193 Cb 0.57 0.47 -0.04 0.00 -1.47 0.00 0.00 33.84 33.37 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 -0.86 5.28 0.17 3.34 -4.23 -1.26 -4.64 115.64 113.45 3khj s THR 194 Ca 0.00 -0.31 0.13 0.00 -1.18 0.00 0.00 61.69 60.33 3khj s THR 194 Cb 0.00 -3.67 -0.00 0.00 1.34 0.00 0.00 72.50 70.17 3khj s THR 194 CO 0.00 0.01 1.57 1.05 -0.54 0.00 0.00 174.62 176.71 3khj h GLU 195 N 2.65 0.00 -0.95 3.99 9.09 -1.94 -2.37 114.58 125.05 3khj h GLU 195 Ca -0.46 0.00 0.01 0.00 0.05 0.00 0.00 59.36 58.96 3khj h GLU 195 Cb 1.17 0.00 -0.05 0.00 -1.65 0.00 0.00 28.75 28.23 3khj h GLU 195 CO 0.72 0.60 0.63 0.93 0.05 0.00 0.00 179.01 181.95 3khj h GLU 196 N 0.00 1.24 -0.08 1.06 3.07 -1.95 0.20 114.58 118.13 3khj h GLU 196 Ca -0.01 -0.07 -0.20 0.00 -0.50 0.00 0.00 59.36 58.58 3khj h GLU 196 Cb 1.19 -0.28 0.00 0.00 -0.84 0.00 0.00 28.75 28.82 3khj h GLU 196 CO 0.08 0.82 -0.78 0.00 -1.40 0.00 0.00 179.01 177.73 3khj h ALA 197 N 1.41 0.47 -0.46 3.43 0.00 -1.96 -2.34 119.26 119.82 3khj h ALA 197 Ca 0.35 -0.62 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 3khj h ALA 197 Cb -0.15 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 3khj h ALA 197 CO -0.07 0.75 0.23 1.15 0.00 0.00 0.00 179.25 181.30 3khj h THR 198 N 0.34 1.18 0.25 0.00 2.02 -0.87 -2.05 112.91 113.77 3khj h THR 198 Ca -0.05 -0.48 -0.01 0.00 0.77 0.00 0.00 66.41 66.64 3khj h THR 198 Cb 1.38 0.66 0.00 0.00 -1.74 0.00 0.00 68.15 68.46 3khj h THR 198 CO 0.14 0.19 -0.12 0.50 0.37 0.00 0.00 175.52 176.60 3khj h LYS 199 N 0.60 -0.33 -0.95 6.66 3.64 -0.62 -2.71 116.57 122.86 3khj h LYS 199 Ca 0.16 0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.59 3khj h LYS 199 Cb 0.09 0.07 -0.05 0.00 -0.41 0.00 0.00 32.23 31.94 3khj h LYS 199 CO -0.02 -0.17 0.63 0.93 -2.27 0.00 0.00 179.45 178.55 3khj h GLU 200 N -0.41 1.18 -0.39 1.90 5.08 -1.36 -1.41 114.58 119.17 3khj h GLU 200 Ca -0.03 -0.07 -0.16 0.00 -1.00 0.00 0.00 59.36 58.09 3khj h GLU 200 Cb 0.31 -0.27 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 3khj h GLU 200 CO 0.06 0.78 -0.38 -0.07 -1.00 0.00 0.00 179.01 178.40 3khj h LEU 201 N 1.22 1.01 -0.50 1.33 3.38 -1.37 -2.11 115.31 118.27 3khj h LEU 201 Ca 0.37 -0.46 -0.06 0.00 0.09 0.00 0.00 57.88 57.82 3khj h LEU 201 Cb -0.02 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.42 3khj h LEU 201 CO -0.11 1.27 0.09 0.40 0.09 0.00 0.00 178.44 180.18 3khj h ILE 202 N 0.78 1.25 -0.90 1.22 2.04 -1.21 0.18 117.51 120.86 3khj h ILE 202 Ca 0.06 -0.92 0.06 0.00 1.00 0.00 0.00 64.86 65.07 3khj h ILE 202 Cb 0.98 0.87 -0.06 0.00 -0.74 0.00 0.00 36.82 37.87 3khj h ILE 202 CO 0.09 0.33 0.56 -0.33 0.00 0.00 0.00 178.15 178.81 3khj h GLU 203 N 0.71 1.00 -0.01 2.37 5.08 -1.19 -1.43 114.58 121.09 3khj h GLU 203 Ca 0.15 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 3khj h GLU 203 Cb 0.39 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.41 3khj h GLU 203 CO 0.01 0.66 0.00 0.09 -1.00 0.00 0.00 179.01 178.77 3khj n ASN 204 N -4.59 0.25 -0.08 1.42 4.13 -0.80 -4.90 115.26 110.69 3khj n ASN 204 Ca 0.13 -1.26 0.00 0.00 1.68 0.00 0.00 54.58 55.14 3khj n ASN 204 Cb 0.18 -0.01 0.00 0.00 -1.54 0.00 0.00 39.78 38.41 3khj n ASN 204 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3khj n GLY 205 N 0.95 1.13 3.72 7.41 0.00 -0.54 -4.72 105.19 113.14 3khj n GLY 205 Ca 0.19 -0.14 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.16 3.22 -1.46 4.61 0.00 0.01 -4.84 121.76 121.13 3khj s ALA 206 Ca 0.00 0.51 0.23 0.00 0.00 0.00 0.00 51.96 52.70 3khj s ALA 206 Cb 0.00 -3.27 0.16 0.00 0.00 0.00 0.00 23.12 20.01 3khj s ALA 206 CO 0.00 -0.12 1.18 -0.25 0.00 0.00 0.00 175.76 176.56 3khj n ASP 207 N 3.38 1.23 -3.66 0.00 9.92 -0.61 -4.65 116.55 122.16 3khj n ASP 207 Ca 0.04 -1.00 -0.12 0.00 -0.53 0.00 0.00 54.79 53.17 3khj n ASP 207 Cb 0.50 0.54 -0.08 0.00 -0.64 0.00 0.00 41.12 41.44 3khj n ASP 207 CO 0.00 0.00 0.00 -0.83 0.13 0.00 0.00 177.20 176.50 3khj s GLY 208 N -2.75 -0.49 -0.26 0.44 0.00 -1.09 -2.41 107.32 100.78 3khj s GLY 208 Ca 0.15 1.88 -0.05 0.00 0.00 0.00 0.00 44.72 46.70 3khj s GLY 208 CO 0.68 1.74 0.01 -0.42 0.00 0.00 0.00 173.10 175.11 3khj s ILE 209 N 0.77 3.61 -0.40 0.90 -1.09 -0.82 -0.40 121.20 123.77 3khj s ILE 209 Ca -0.04 -0.62 -0.16 0.00 -2.23 0.00 0.00 60.65 57.60 3khj s ILE 209 Cb -0.05 -2.77 0.01 0.00 -1.58 0.00 0.00 42.46 38.08 3khj s ILE 209 CO -0.06 0.25 0.39 -0.75 -1.23 0.00 0.00 174.94 173.53 3khj s LYS 210 N 1.47 3.19 -0.20 2.79 2.20 -0.05 0.26 119.74 129.41 3khj s LYS 210 Ca 0.04 -0.73 -0.12 0.00 -0.36 0.00 0.00 55.97 54.80 3khj s LYS 210 Cb -0.16 -3.93 -0.05 0.00 -1.51 0.00 0.00 37.83 32.19 3khj s LYS 210 CO -0.01 -0.74 0.21 0.08 -0.36 0.00 0.00 175.35 174.54 3khj s VAL 211 N 2.01 5.35 0.00 4.02 1.01 0.43 -2.10 120.40 131.11 3khj s VAL 211 Ca 0.10 0.35 0.00 0.00 0.00 0.00 0.00 61.98 62.44 3khj s VAL 211 Cb -0.17 -3.55 0.00 0.00 0.00 0.00 0.00 36.38 32.65 3khj s VAL 211 CO 0.12 0.39 0.00 0.61 0.00 0.00 0.00 175.10 176.22 3khj n GLY 212 N 3.67 -1.23 2.98 4.51 0.00 -1.13 -0.24 105.19 113.76 3khj n GLY 212 Ca -0.14 0.75 -0.30 0.00 0.00 0.00 0.00 46.02 46.33 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 1.51 0.00 -0.61 1.01 -1.26 -4.70 121.20 117.15 3khj s ILE 213 Ca 0.00 -0.79 0.00 0.00 0.00 0.00 0.00 60.65 59.86 3khj s ILE 213 Cb 0.00 -1.54 0.00 0.00 0.01 0.00 0.00 42.46 40.93 3khj s ILE 213 CO 0.00 0.28 0.00 0.61 0.00 0.00 0.00 174.94 175.83 3khj n GLY 214 N 4.75 1.92 3.66 6.18 0.00 -1.26 -0.18 105.19 120.26 3khj n GLY 214 Ca -0.15 -0.71 -0.42 0.00 0.00 0.00 0.00 46.02 44.73 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 4.18 0.00 1.61 0.04 -1.26 -4.65 135.00 134.92 3khj s PRO 215 Ca 0.00 2.18 0.00 0.00 0.04 0.00 0.00 61.00 63.22 3khj s PRO 215 Cb 0.00 -3.98 0.00 0.00 0.04 0.00 0.00 34.50 30.56 3khj s PRO 215 CO 0.00 -0.84 0.00 0.41 0.04 0.00 0.00 177.00 176.61 3khj n GLY 216 N 4.11 -1.36 0.35 0.56 0.00 -1.26 -3.44 105.19 104.16 3khj n GLY 216 Ca 0.17 0.41 0.03 0.00 0.00 0.00 0.00 46.02 46.64 3khj n GLY 216 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3khj n THR 220 N -0.90 1.05 0.17 2.61 -2.24 -1.26 -4.83 114.28 108.87 3khj n THR 220 Ca 0.00 -1.05 0.03 0.00 -2.27 0.00 0.00 64.05 60.76 3khj n THR 220 Cb 0.00 0.47 0.40 0.00 -2.10 0.00 0.00 70.33 69.10 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 1.08 1.20 0.00 4.28 2.02 -1.88 0.33 112.91 119.94 3khj h THR 221 Ca 0.00 -0.93 -0.02 0.00 0.77 0.00 0.00 66.41 66.23 3khj h THR 221 Cb 0.65 1.42 -0.00 0.00 -1.74 0.00 0.00 68.15 68.47 3khj h THR 221 CO 0.01 0.27 -0.11 0.03 0.37 0.00 0.00 175.52 176.09 3khj h ARG 222 N 0.09 0.00 0.00 6.66 3.08 -1.83 0.36 114.38 122.74 3khj h ARG 222 Ca 0.02 0.00 -0.36 0.00 0.07 0.00 0.00 59.98 59.71 3khj h ARG 222 Cb 0.47 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.47 3khj h ARG 222 CO 0.03 0.11 -2.15 -0.89 -1.07 0.00 0.00 179.97 176.00 3khj n ILE 223 N -3.32 1.52 0.07 2.04 5.41 -0.62 -3.49 119.36 120.98 3khj n ILE 223 Ca -0.00 -0.26 -0.12 0.00 1.00 0.00 0.00 62.75 63.37 3khj n ILE 223 Cb 0.32 -1.99 -0.08 0.00 -0.71 0.00 0.00 39.64 37.18 3khj n ILE 223 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 176.55 177.13 3khj h VAL 224 N -1.00 0.97 0.00 1.39 2.07 -0.50 -3.36 116.25 115.82 3khj h VAL 224 Ca -0.54 -0.96 -0.31 0.00 0.82 0.00 0.00 66.70 65.71 3khj h VAL 224 Cb 1.47 1.52 -0.06 0.00 -1.52 0.00 0.00 31.29 32.70 3khj h VAL 224 CO -0.33 0.21 -1.96 0.00 0.02 0.00 0.00 177.57 175.52 3khj n ALA 225 N -2.47 1.56 -2.70 1.67 0.00 -0.92 -4.99 120.51 112.66 3khj n ALA 225 Ca -0.09 -0.97 -0.10 0.00 0.00 0.00 0.00 53.44 52.29 3khj n ALA 225 Cb 0.26 -0.60 0.02 0.00 0.00 0.00 0.00 19.45 19.13 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 1.61 0.20 3.16 0.00 0.00 0.07 -5.01 105.19 105.23 3khj n GLY 226 Ca -0.22 -0.36 -0.25 0.00 0.00 0.00 0.00 46.02 45.20 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 -2.90 1.36 0.00 1.61 1.01 -1.05 -4.96 120.40 115.47 3khj s VAL 227 Ca 0.17 -0.74 0.00 0.00 0.00 0.00 0.00 61.98 61.41 3khj s VAL 227 Cb -0.07 -1.13 0.00 0.00 0.00 0.00 0.00 36.38 35.18 3khj s VAL 227 CO 0.21 0.38 0.00 0.61 0.00 0.00 0.00 175.10 176.30 3khj n GLY 228 N 2.65 2.76 2.91 4.51 0.00 -1.26 -3.87 105.19 112.89 3khj n GLY 228 Ca -0.15 -1.10 -0.23 0.00 0.00 0.00 0.00 46.02 44.54 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 0.79 0.27 1.61 1.01 0.75 -4.92 120.40 117.91 3khj s VAL 229 Ca 0.00 -0.22 -0.29 0.00 0.00 0.00 0.00 61.98 61.47 3khj s VAL 229 Cb 0.00 -0.80 -0.14 0.00 0.00 0.00 0.00 36.38 35.44 3khj s VAL 229 CO 0.00 0.30 1.16 -0.81 0.00 0.00 0.00 175.10 175.75 3khj n PRO 230 N 4.36 1.60 -0.20 2.72 -0.04 -1.26 -4.53 135.00 137.65 3khj n PRO 230 Ca -0.19 0.56 -0.01 0.00 -0.04 0.00 0.00 63.50 63.83 3khj n PRO 230 Cb 0.51 -2.05 0.10 0.00 -0.04 0.00 0.00 33.50 32.02 3khj n PRO 230 CO 0.00 0.00 0.00 0.37 -0.04 0.00 0.00 175.50 175.83 3khj h GLN 231 N 2.72 0.44 -0.01 0.54 5.75 -1.92 -1.29 115.11 121.34 3khj h GLN 231 Ca -0.42 -0.03 -0.00 0.00 -0.15 0.00 0.00 58.65 58.05 3khj h GLN 231 Cb 1.32 -0.10 -0.00 0.00 1.07 0.00 0.00 27.48 29.77 3khj h GLN 231 CO 0.65 0.29 0.01 0.82 -2.65 0.00 0.00 178.83 177.95 3khj h ILE 232 N 0.46 1.07 0.00 2.39 1.08 -1.77 -0.81 117.51 119.93 3khj h ILE 232 Ca 0.29 -0.22 -0.05 0.00 -0.39 0.00 0.00 64.86 64.49 3khj h ILE 232 Cb 0.31 1.20 -0.01 0.00 -3.07 0.00 0.00 36.82 35.26 3khj h ILE 232 CO -0.26 0.06 -0.26 0.74 -0.69 0.00 0.00 178.15 177.73 3khj h THR 233 N -0.07 0.91 -0.13 -0.27 2.02 -1.37 -1.40 112.91 112.58 3khj h THR 233 Ca 0.00 -1.00 -0.11 0.00 0.77 0.00 0.00 66.41 66.08 3khj h THR 233 Cb 0.09 1.59 0.00 0.00 -1.74 0.00 0.00 68.15 68.09 3khj h THR 233 CO -0.00 0.26 -0.33 0.00 0.37 0.00 0.00 175.52 175.82 3khj h ALA 234 N 1.74 0.22 -0.26 6.16 0.00 -0.85 -2.57 119.26 123.70 3khj h ALA 234 Ca -0.00 -0.43 -0.14 0.00 0.00 0.00 0.00 54.91 54.34 3khj h ALA 234 Cb 0.56 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 3khj h ALA 234 CO 0.03 0.27 -0.40 0.82 0.00 0.00 0.00 179.25 179.97 3khj h ILE 235 N 0.06 1.29 -0.77 0.00 2.04 -1.05 -2.43 117.51 116.66 3khj h ILE 235 Ca -0.00 -1.56 -0.05 0.00 1.00 0.00 0.00 64.86 64.25 3khj h ILE 235 Cb 0.93 1.52 -0.03 0.00 -0.74 0.00 0.00 36.82 38.50 3khj h ILE 235 CO 0.07 0.50 0.29 -0.08 0.00 0.00 0.00 178.15 178.93 3khj h GLU 236 N 0.51 1.15 0.19 2.37 4.81 -1.27 -0.67 114.58 121.67 3khj h GLU 236 Ca 0.04 -0.21 -0.30 0.00 -0.13 0.00 0.00 59.36 58.76 3khj h GLU 236 Cb 0.91 -0.18 0.02 0.00 0.63 0.00 0.00 28.75 30.13 3khj h GLU 236 CO 0.08 0.94 -1.36 0.87 -0.73 0.00 0.00 179.01 178.81 3khj h LYS 237 N 1.12 0.39 -0.02 1.92 1.57 -1.46 -3.27 116.57 116.83 3khj h LYS 237 Ca 0.25 -0.67 -0.17 0.00 -1.87 0.00 0.00 60.65 58.19 3khj h LYS 237 Cb 0.23 0.25 -0.01 0.00 0.08 0.00 0.00 32.23 32.77 3khj h LYS 237 CO -0.02 1.32 -0.76 0.00 -0.57 0.00 0.00 179.45 179.42 3khj h SER 239 N 0.09 0.84 0.35 0.00 0.02 -1.25 -2.64 113.55 110.96 3khj h SER 239 Ca -0.02 -0.38 -0.00 0.00 -0.84 0.00 0.00 61.79 60.55 3khj h SER 239 Cb 1.34 -0.24 -0.00 0.00 0.14 0.00 0.00 62.40 63.64 3khj h SER 239 CO 0.11 1.13 -0.01 0.77 -1.14 0.00 0.00 176.83 177.69 3khj h SER 240 N 0.65 0.00 -0.30 3.07 4.64 -1.61 0.33 113.55 120.33 3khj h SER 240 Ca 0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 3khj h SER 240 Cb 0.94 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.03 3khj h SER 240 CO 0.09 0.01 0.00 1.33 -0.87 0.00 0.00 176.83 177.39 3khj n VAL 241 N -3.17 0.81 0.00 0.95 0.24 -1.15 -4.53 118.33 111.48 3khj n VAL 241 Ca -0.02 -0.91 0.00 0.00 -2.04 0.00 0.00 64.34 61.37 3khj n VAL 241 Cb 0.16 0.64 0.00 0.00 -1.47 0.00 0.00 33.84 33.17 3khj n VAL 241 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3khj n ALA 242 N 0.60 1.46 0.65 2.33 0.00 -0.73 -4.63 120.51 120.19 3khj n ALA 242 Ca 0.11 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.67 3khj n ALA 242 Cb 0.41 0.11 0.46 0.00 0.00 0.00 0.00 19.45 20.43 3khj n ALA 242 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3khj n SER 243 N -1.23 0.35 -0.15 0.00 3.41 0.11 -2.31 113.62 113.80 3khj n SER 243 Ca 0.00 0.56 -0.07 0.00 -0.26 0.00 0.00 58.87 59.10 3khj n SER 243 Cb 0.22 -0.64 0.02 0.00 -0.26 0.00 0.00 64.21 63.55 3khj n SER 243 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 3khj h LYS 244 N 0.00 0.57 0.00 4.33 1.57 -1.80 -3.43 116.57 117.81 3khj h LYS 244 Ca 0.00 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 3khj h LYS 244 Cb 0.46 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.65 3khj h LYS 244 CO 0.00 0.38 0.00 1.19 -0.57 0.00 0.00 179.45 180.45 3khj n PHE 245 N -4.80 -3.25 -0.93 -1.35 3.01 -0.98 -5.01 117.46 104.15 3khj n PHE 245 Ca 0.02 0.00 -0.03 0.00 1.01 0.00 0.00 57.45 58.45 3khj n PHE 245 Cb 0.05 0.00 0.32 0.00 -0.01 0.00 0.00 39.48 39.84 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 5.00 3.40 3.63 1.37 0.00 -1.26 -4.95 105.19 112.38 3khj n GLY 246 Ca 0.00 -0.94 -0.42 0.00 0.00 0.00 0.00 46.02 44.66 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 -2.85 4.76 0.61 -0.61 -1.09 -1.22 -4.65 121.20 116.15 3khj s ILE 247 Ca 0.53 1.43 -0.14 0.00 -2.23 0.00 0.00 60.65 60.23 3khj s ILE 247 Cb 0.42 -4.18 -0.03 0.00 -1.58 0.00 0.00 42.46 37.09 3khj s ILE 247 CO 0.14 -0.22 1.05 -2.84 -1.23 0.00 0.00 174.94 171.83 3khj s PRO 248 N 3.03 3.34 -0.16 2.79 0.02 -1.26 -4.45 135.00 138.30 3khj s PRO 248 Ca 0.35 1.09 -0.03 0.00 0.02 0.00 0.00 61.00 62.44 3khj s PRO 248 Cb -0.14 -2.04 -0.02 0.00 0.02 0.00 0.00 34.50 32.32 3khj s PRO 248 CO 0.11 -0.79 -0.06 0.42 -0.33 0.00 0.00 177.00 176.35 3khj s ILE 249 N -2.65 3.57 -0.43 2.83 1.09 -1.26 -1.95 121.20 122.40 3khj s ILE 249 Ca 0.61 -0.46 -0.13 0.00 -1.10 0.00 0.00 60.65 59.56 3khj s ILE 249 Cb -0.14 -2.56 0.06 0.00 -1.06 0.00 0.00 42.46 38.75 3khj s ILE 249 CO 0.41 0.48 0.32 -0.63 -0.10 0.00 0.00 174.94 175.42 3khj s ILE 250 N 0.62 4.92 -0.43 2.92 1.09 0.14 -1.25 121.20 129.21 3khj s ILE 250 Ca -0.04 -1.02 -0.28 0.00 -1.10 0.00 0.00 60.65 58.21 3khj s ILE 250 Cb -0.15 -3.88 0.00 0.00 -1.06 0.00 0.00 42.46 37.38 3khj s ILE 250 CO 0.03 -0.45 1.52 0.00 -0.10 0.00 0.00 174.94 175.93 3khj s ALA 251 N 1.59 2.92 -0.29 9.38 0.00 0.33 -0.43 121.76 135.26 3khj s ALA 251 Ca 0.04 -0.20 -0.04 0.00 0.00 0.00 0.00 51.96 51.76 3khj s ALA 251 Cb -0.22 -4.01 0.03 0.00 0.00 0.00 0.00 23.12 18.92 3khj s ALA 251 CO 0.06 -2.63 0.02 0.34 0.00 0.00 0.00 175.76 173.55 3khj s ASP 252 N 4.70 4.86 0.00 0.00 2.15 0.67 0.14 116.67 129.19 3khj s ASP 252 Ca 0.64 -1.02 0.00 0.00 0.43 0.00 0.00 52.55 52.60 3khj s ASP 252 Cb -0.15 -1.76 0.00 0.00 -0.30 0.00 0.00 42.92 40.71 3khj s ASP 252 CO 0.31 -0.22 0.00 0.61 -0.17 0.00 0.00 175.17 175.70 3khj n GLY 253 N 4.72 0.93 0.76 2.66 0.00 -1.21 -4.24 105.19 108.81 3khj n GLY 253 Ca -0.14 -1.70 0.00 0.00 0.00 0.00 0.00 46.02 44.18 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 1.02 0.73 3.68 -0.02 0.00 -1.22 -4.81 105.19 104.57 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 -2.30 4.56 0.00 -0.61 -1.09 -1.26 -4.85 121.20 115.65 3khj s ILE 255 Ca 0.00 1.86 0.00 0.00 -2.23 0.00 0.00 60.65 60.28 3khj s ILE 255 Cb 0.00 -4.20 0.00 0.00 -1.58 0.00 0.00 42.46 36.68 3khj s ILE 255 CO 0.00 -0.06 0.00 0.54 -1.23 0.00 0.00 174.94 174.19 3khj n ARG 256 N 5.57 2.24 -4.20 2.79 1.74 -1.26 -4.79 116.66 118.75 3khj n ARG 256 Ca 0.11 0.00 -0.14 0.00 -0.77 0.00 0.00 57.85 57.04 3khj n ARG 256 Cb 0.47 -0.76 -0.11 0.00 -1.02 0.00 0.00 32.46 31.04 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 -1.43 1.13 0.57 -1.55 1.51 -1.26 -5.02 117.35 111.30 3khj s TYR 257 Ca 0.00 -0.69 0.26 0.00 -1.01 0.00 0.00 57.07 55.62 3khj s TYR 257 Cb 0.00 -0.60 1.63 0.00 -0.11 0.00 0.00 41.96 42.87 3khj s TYR 257 CO 0.00 0.02 2.18 0.66 -1.11 0.00 0.00 175.55 177.31 3khj h SER 258 N 3.31 0.00 0.20 2.29 4.64 -1.91 -1.28 113.55 120.80 3khj h SER 258 Ca -0.37 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 60.89 3khj h SER 258 Cb 1.19 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.27 3khj h SER 258 CO 0.56 0.00 -0.25 1.23 -0.87 0.00 0.00 176.83 177.50 3khj h GLY 259 N 0.00 0.12 2.00 -0.77 0.00 -1.92 -2.85 103.07 99.65 3khj h GLY 259 Ca 0.03 -0.08 -0.08 0.00 0.00 0.00 0.00 47.33 47.20 3khj h GLY 259 CO -0.00 0.08 -0.37 -0.55 0.00 0.00 0.00 176.54 175.70 3khj h ASP 260 N 0.10 0.00 -0.04 0.19 3.32 -1.63 -2.07 116.42 116.29 3khj h ASP 260 Ca 0.02 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.06 3khj h ASP 260 Cb 0.51 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.06 3khj h ASP 260 CO 0.04 0.37 0.02 0.40 -1.72 0.00 0.00 179.24 178.34 3khj h ILE 261 N 0.00 1.11 -0.72 0.35 2.04 -1.58 -1.63 117.51 117.09 3khj h ILE 261 Ca -0.00 -0.33 -0.00 0.00 1.00 0.00 0.00 64.86 65.53 3khj h ILE 261 Cb 0.71 1.26 -0.03 0.00 -0.74 0.00 0.00 36.82 38.02 3khj h ILE 261 CO 0.05 0.09 0.44 1.23 0.00 0.00 0.00 178.15 179.96 3khj h GLY 262 N -0.07 1.03 0.80 5.37 0.00 -1.56 -2.34 103.07 106.30 3khj h GLY 262 Ca 0.01 -0.42 0.03 0.00 0.00 0.00 0.00 47.33 46.95 3khj h GLY 262 CO -0.00 0.41 0.10 0.50 0.00 0.00 0.00 176.54 177.55 3khj h LYS 263 N 0.98 0.23 -0.51 4.80 1.57 -1.26 -0.99 116.57 121.38 3khj h LYS 263 Ca 0.26 -0.01 -0.08 0.00 -1.87 0.00 0.00 60.65 58.94 3khj h LYS 263 Cb -0.05 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.19 3khj h LYS 263 CO -0.05 0.15 0.01 0.00 -0.57 0.00 0.00 179.45 178.99 3khj h ALA 264 N 1.16 0.69 -0.46 3.86 0.00 -1.18 -2.67 119.26 120.66 3khj h ALA 264 Ca 0.12 -0.28 -0.07 0.00 0.00 0.00 0.00 54.91 54.67 3khj h ALA 264 Cb 0.08 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 3khj h ALA 264 CO -0.11 0.50 0.02 -0.07 0.00 0.00 0.00 179.25 179.58 3khj h LEU 265 N 0.77 0.79 -1.53 0.00 3.38 -1.31 -2.64 115.31 114.77 3khj h LEU 265 Ca 0.15 -0.30 -0.05 0.00 0.09 0.00 0.00 57.88 57.77 3khj h LEU 265 Cb 0.51 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 3khj h LEU 265 CO 0.03 0.89 -0.24 0.00 0.09 0.00 0.00 178.44 179.21 3khj h ALA 266 N 0.92 1.57 -0.05 1.53 0.00 -1.10 -2.81 119.26 119.32 3khj h ALA 266 Ca 0.13 -0.22 -0.17 0.00 0.00 0.00 0.00 54.91 54.66 3khj h ALA 266 Cb 0.48 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 3khj h ALA 266 CO 0.02 0.30 -0.70 0.28 0.00 0.00 0.00 179.25 179.15 3khj h VAL 267 N 0.00 1.42 0.00 0.00 2.07 -1.39 -3.43 116.25 114.92 3khj h VAL 267 Ca -0.00 -2.19 0.00 0.00 0.82 0.00 0.00 66.70 65.33 3khj h VAL 267 Cb 0.43 2.15 0.00 0.00 -1.52 0.00 0.00 31.29 32.35 3khj h VAL 267 CO 0.03 0.64 0.00 0.61 0.02 0.00 0.00 177.57 178.88 3khj n GLY 268 N 0.48 -0.16 3.85 2.17 0.00 -1.07 -4.61 105.19 105.86 3khj n GLY 268 Ca -0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.67 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 3.34 -0.16 4.61 0.00 -1.00 -4.65 121.76 123.90 3khj s ALA 269 Ca 0.00 -0.01 0.18 0.00 0.00 0.00 0.00 51.96 52.13 3khj s ALA 269 Cb 0.00 -2.74 -0.25 0.00 0.00 0.00 0.00 23.12 20.13 3khj s ALA 269 CO 0.00 0.30 0.21 0.43 0.00 0.00 0.00 175.76 176.70 3khj n SER 270 N -0.47 0.13 -3.75 0.00 7.64 -0.38 -4.40 113.62 112.40 3khj n SER 270 Ca 0.03 0.06 -0.14 0.00 1.01 0.00 0.00 58.87 59.84 3khj n SER 270 Cb 0.53 0.96 -0.09 0.00 -1.01 0.00 0.00 64.21 64.60 3khj n SER 270 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 3khj s SER 271 N -5.46 -0.23 -0.07 6.43 1.04 -1.08 -4.78 113.70 109.55 3khj s SER 271 Ca -0.09 0.18 0.02 0.00 0.48 0.00 0.00 55.95 56.55 3khj s SER 271 Cb 0.07 0.37 -0.02 0.00 0.10 0.00 0.00 66.02 66.53 3khj s SER 271 CO 0.84 -0.42 -0.13 0.68 0.98 0.00 0.00 173.24 175.18 3khj s VAL 272 N -1.17 3.14 -0.30 5.02 -7.23 -0.53 -0.51 120.40 118.82 3khj s VAL 272 Ca -0.12 -0.68 -0.11 0.00 -1.81 0.00 0.00 61.98 59.26 3khj s VAL 272 Cb -0.05 -2.26 -0.03 0.00 0.56 0.00 0.00 36.38 34.61 3khj s VAL 272 CO 0.04 0.58 0.20 -0.32 -0.31 0.00 0.00 175.10 175.28 3khj s MET 273 N -0.48 3.69 -0.09 4.82 1.75 0.12 -1.33 119.30 127.78 3khj s MET 273 Ca 0.06 -0.50 -0.01 0.00 -1.25 0.00 0.00 55.69 54.00 3khj s MET 273 Cb -0.12 -3.68 -0.03 0.00 2.84 0.00 0.00 34.83 33.84 3khj s MET 273 CO 0.02 -0.31 -0.05 0.96 -0.65 0.00 0.00 175.02 174.99 3khj s ILE 274 N 1.72 3.86 0.00 10.11 -4.36 0.88 -3.31 121.20 130.09 3khj s ILE 274 Ca 0.06 -0.41 0.00 0.00 -0.26 0.00 0.00 60.65 60.04 3khj s ILE 274 Cb -0.17 -2.61 0.00 0.00 1.25 0.00 0.00 42.46 40.94 3khj s ILE 274 CO 0.10 0.58 0.00 0.61 0.24 0.00 0.00 174.94 176.47 3khj n GLY 275 N 2.46 0.21 0.31 6.27 0.00 -1.26 -1.57 105.19 111.60 3khj n GLY 275 Ca -0.18 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.03 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 0.00 0.00 0.80 1.61 4.64 -1.97 -2.07 113.55 116.56 3khj h SER 276 Ca 0.00 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.27 3khj h SER 276 Cb 0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 3khj h SER 276 CO 0.00 0.02 -0.23 0.40 -0.87 0.00 0.00 176.83 176.15 3khj h ILE 277 N 0.00 0.60 -0.22 0.95 2.04 -1.90 -2.89 117.51 116.09 3khj h ILE 277 Ca -0.00 -1.06 0.00 0.00 1.00 0.00 0.00 64.86 64.80 3khj h ILE 277 Cb 0.23 1.71 0.00 0.00 -0.74 0.00 0.00 36.82 38.01 3khj h ILE 277 CO 0.00 0.22 0.00 0.18 0.00 0.00 0.00 178.15 178.55 3khj n LEU 278 N -3.46 2.72 -0.08 1.44 4.77 -0.79 -4.68 117.00 116.91 3khj n LEU 278 Ca -0.00 -1.43 -0.01 0.00 -0.03 0.00 0.00 56.01 54.54 3khj n LEU 278 Cb 0.40 -0.14 0.25 0.00 -2.33 0.00 0.00 43.42 41.61 3khj n LEU 278 CO 0.33 0.59 1.01 0.00 -1.33 0.00 0.00 177.39 177.98 3khj h ALA 279 N 2.94 1.34 -0.39 -1.18 0.00 -1.37 -3.07 119.26 117.54 3khj h ALA 279 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3khj h ALA 279 Cb 0.72 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.31 3khj h ALA 279 CO 0.00 0.48 0.00 0.41 0.00 0.00 0.00 179.25 180.14 3khj n GLY 280 N -0.98 1.74 3.82 0.00 0.00 -1.26 -4.85 105.19 103.66 3khj n GLY 280 Ca 0.03 -0.70 -0.31 0.00 0.00 0.00 0.00 46.02 45.04 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 -1.40 4.05 0.45 2.61 -4.23 -1.16 -0.86 115.64 115.10 3khj s THR 281 Ca 0.37 0.76 0.11 0.00 -1.18 0.00 0.00 61.69 61.75 3khj s THR 281 Cb 0.22 -3.44 0.24 0.00 1.34 0.00 0.00 72.50 70.85 3khj s THR 281 CO 0.30 -0.78 2.05 -0.08 -0.54 0.00 0.00 174.62 175.57 3khj h GLU 282 N -0.31 0.24 0.00 3.99 4.57 -0.37 -2.55 114.58 120.14 3khj h GLU 282 Ca -0.45 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 57.71 3khj h GLU 282 Cb 1.21 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 29.75 3khj h GLU 282 CO 0.58 0.22 -0.05 0.93 -1.18 0.00 0.00 179.01 179.50 3khj h GLU 283 N 0.24 0.00 -7.24 1.92 3.07 -1.91 -3.45 114.58 107.22 3khj h GLU 283 Ca 0.06 0.00 -0.49 0.00 -0.50 0.00 0.00 59.36 58.43 3khj h GLU 283 Cb 0.09 0.00 0.05 0.00 -0.84 0.00 0.00 28.75 28.05 3khj h GLU 283 CO -0.00 0.00 0.38 -1.54 -1.40 0.00 0.00 179.01 176.45 3khj s SER 284 N -5.33 6.08 0.81 1.42 1.04 -0.96 -2.87 113.70 113.88 3khj s SER 284 Ca 0.08 1.65 -0.13 0.00 0.48 0.00 0.00 55.95 58.03 3khj s SER 284 Cb 0.09 -2.51 0.08 0.00 0.10 0.00 0.00 66.02 63.77 3khj s SER 284 CO 0.64 -0.96 1.16 -2.65 0.98 0.00 0.00 173.24 172.41 3khj n PRO 285 N -2.12 0.19 0.00 4.02 -0.02 -1.26 -4.92 135.00 130.88 3khj n PRO 285 Ca 0.07 0.14 0.00 0.00 -2.02 0.00 0.00 63.50 61.69 3khj n PRO 285 Cb 0.53 -2.40 0.00 0.00 -0.02 0.00 0.00 33.50 31.61 3khj n PRO 285 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3khj n GLY 286 N 0.62 2.42 3.25 -1.23 0.00 -1.26 -4.90 105.19 104.08 3khj n GLY 286 Ca 0.13 -2.16 -0.24 0.00 0.00 0.00 0.00 46.02 43.75 3khj n GLY 286 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3khj s GLU 287 N -1.94 1.25 0.32 1.61 2.02 -1.21 -4.93 118.70 115.82 3khj s GLU 287 Ca 0.00 -1.00 -0.28 0.00 0.02 0.00 0.00 54.97 53.71 3khj s GLU 287 Cb 0.00 -1.40 -0.09 0.00 0.10 0.00 0.00 34.13 32.74 3khj s GLU 287 CO 0.00 0.35 1.15 0.15 0.02 0.00 0.00 175.26 176.92 3khj s LYS 288 N -1.43 4.43 -0.02 1.61 3.01 -1.26 -2.70 119.74 123.37 3khj s LYS 288 Ca 0.06 1.86 -0.17 0.00 -1.01 0.00 0.00 55.97 56.71 3khj s LYS 288 Cb -0.09 -3.00 0.03 0.00 -1.01 0.00 0.00 37.83 33.75 3khj s LYS 288 CO 0.03 -0.00 0.37 -1.83 0.51 0.00 0.00 175.35 174.42 3khj s GLU 289 N -1.78 0.72 -0.34 1.68 -1.05 0.03 -4.97 118.70 113.00 3khj s GLU 289 Ca 0.49 -0.11 -0.13 0.00 -0.15 0.00 0.00 54.97 55.07 3khj s GLU 289 Cb -0.32 0.33 -0.02 0.00 -0.44 0.00 0.00 34.13 33.68 3khj s GLU 289 CO 0.42 -0.20 0.23 -0.48 0.95 0.00 0.00 175.26 176.18 3khj s LEU 290 N -1.29 4.50 -0.26 1.83 0.05 -1.26 -0.41 118.68 121.84 3khj s LEU 290 Ca -0.13 -0.44 0.03 0.00 0.05 0.00 0.00 54.13 53.64 3khj s LEU 290 Cb -0.04 -2.13 0.06 0.00 -2.05 0.00 0.00 46.19 42.03 3khj s LEU 290 CO 0.05 -0.24 -0.10 -0.63 -0.55 0.00 0.00 176.35 174.89 3khj s ILE 291 N 1.71 2.12 0.00 1.48 1.01 -1.11 -4.94 121.20 121.48 3khj s ILE 291 Ca 0.06 -1.63 0.00 0.00 0.00 0.00 0.00 60.65 59.07 3khj s ILE 291 Cb -0.17 -2.26 0.00 0.00 0.01 0.00 0.00 42.46 40.04 3khj s ILE 291 CO 0.10 -0.06 0.00 0.61 0.00 0.00 0.00 174.94 175.59 3khj n GLY 292 N 4.44 1.95 0.00 6.18 0.00 -1.26 -3.28 105.19 113.22 3khj n GLY 292 Ca -0.13 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 4.46 0.00 -4.47 1.61 3.85 -1.26 -5.12 116.55 115.62 3khj n ASP 293 Ca 0.00 0.00 -0.26 0.00 -0.71 0.00 0.00 54.79 53.82 3khj n ASP 293 Cb 0.00 0.00 -0.11 0.00 -1.35 0.00 0.00 41.12 39.66 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 0.00 2.60 0.20 2.12 -4.23 -1.21 -5.12 115.64 110.00 3khj s THR 294 Ca 0.00 -2.01 -0.30 0.00 -1.18 0.00 0.00 61.69 58.20 3khj s THR 294 Cb 0.00 -2.28 -0.08 0.00 1.34 0.00 0.00 72.50 71.48 3khj s THR 294 CO 0.00 -0.17 0.93 -0.69 -0.54 0.00 0.00 174.62 174.15 3khj s VAL 295 N -1.85 4.19 0.17 2.29 1.01 -1.26 -2.74 120.40 122.21 3khj s VAL 295 Ca 0.24 2.06 0.06 0.00 0.00 0.00 0.00 61.98 64.33 3khj s VAL 295 Cb -0.08 -4.31 -0.04 0.00 0.00 0.00 0.00 36.38 31.95 3khj s VAL 295 CO 0.12 0.46 -0.13 -0.31 0.00 0.00 0.00 175.10 175.25 3khj s TYR 296 N -0.91 1.49 -0.18 5.22 1.51 0.46 -1.30 117.35 123.63 3khj s TYR 296 Ca 0.42 -0.65 -0.02 0.00 -1.01 0.00 0.00 57.07 55.81 3khj s TYR 296 Cb -0.25 -0.72 -0.00 0.00 -0.11 0.00 0.00 41.96 40.87 3khj s TYR 296 CO 0.31 0.22 -0.10 0.15 -1.11 0.00 0.00 175.55 175.02 3khj s LYS 297 N -3.61 3.30 0.28 -0.62 1.02 -0.34 -0.79 119.74 118.97 3khj s LYS 297 Ca 0.19 -0.69 0.07 0.00 0.02 0.00 0.00 55.97 55.56 3khj s LYS 297 Cb 0.00 -2.80 -0.03 0.00 -0.52 0.00 0.00 37.83 34.48 3khj s LYS 297 CO 0.04 -0.07 0.25 1.52 -0.92 0.00 0.00 175.35 176.16 3khj s TYR 298 N 1.08 3.06 0.00 3.18 -0.85 -1.10 -2.42 117.35 120.30 3khj s TYR 298 Ca 0.00 -0.18 0.00 0.00 -0.52 0.00 0.00 57.07 56.38 3khj s TYR 298 Cb -0.15 -1.56 0.00 0.00 0.38 0.00 0.00 41.96 40.63 3khj s TYR 298 CO -0.02 0.38 0.00 0.66 -1.52 0.00 0.00 175.55 175.05 3khj n TYR 299 N -1.27 0.00 0.00 -3.49 4.01 -1.26 -3.36 117.16 111.79 3khj n TYR 299 Ca -0.06 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.68 3khj n TYR 299 Cb 0.58 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.61 3khj n TYR 299 CO 0.00 0.00 0.00 -0.85 -0.46 0.00 0.00 176.86 175.55 3khj n GLU 332 N -0.73 0.00 -0.13 -0.72 -0.00 -1.26 -5.11 120.64 112.69 3khj n GLU 332 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.16 3khj n GLU 332 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.44 3khj n GLU 332 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3khj n GLY 333 N -0.20 7.24 3.02 -1.84 0.00 -1.26 -5.17 105.19 106.98 3khj n GLY 333 Ca 0.00 -2.04 -0.09 0.00 0.00 0.00 0.00 46.02 43.89 3khj n GLY 333 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3khj s ARG 334 N 0.93 0.42 0.00 1.61 0.52 -1.26 -4.48 118.95 116.69 3khj s ARG 334 Ca 0.00 -0.79 -0.01 0.00 -0.52 0.00 0.00 55.73 54.41 3khj s ARG 334 Cb 0.00 0.10 -0.01 0.00 0.52 0.00 0.00 34.95 35.56 3khj s ARG 334 CO 0.00 -0.06 0.01 0.54 0.02 0.00 0.00 175.30 175.81 3khj s VAL 335 N -2.14 0.04 0.30 3.52 0.11 -1.02 -4.97 120.40 116.24 3khj s VAL 335 Ca -0.09 -0.34 -0.29 0.00 -2.93 0.00 0.00 61.98 58.33 3khj s VAL 335 Cb -0.05 -0.13 -0.10 0.00 -1.53 0.00 0.00 36.38 34.57 3khj s VAL 335 CO -0.03 -0.19 1.38 -0.75 -3.33 0.00 0.00 175.10 172.18 3khj s LYS 336 N -0.55 4.29 0.12 1.54 2.20 -1.26 -1.20 119.74 124.87 3khj s LYS 336 Ca -0.06 2.28 -0.31 0.00 -0.36 0.00 0.00 55.97 57.53 3khj s LYS 336 Cb -0.04 -3.08 -0.07 0.00 -1.51 0.00 0.00 37.83 33.13 3khj s LYS 336 CO -0.00 -0.32 1.27 -0.47 -0.36 0.00 0.00 175.35 175.46 3khj s TYR 337 N -0.65 3.36 -0.22 4.03 5.04 -0.42 -4.28 117.35 124.21 3khj s TYR 337 Ca 0.54 1.21 0.05 0.00 -2.44 0.00 0.00 57.07 56.43 3khj s TYR 337 Cb -0.41 -3.52 -0.17 0.00 0.35 0.00 0.00 41.96 38.21 3khj s TYR 337 CO 0.50 -1.65 -0.14 1.63 -1.34 0.00 0.00 175.55 174.54 3khj n LYS 338 N 3.50 0.69 0.00 4.97 5.02 -0.04 -4.92 118.16 127.38 3khj n LYS 338 Ca 0.08 0.10 0.00 0.00 -2.02 0.00 0.00 58.31 56.48 3khj n LYS 338 Cb 0.44 -1.46 0.00 0.00 -0.02 0.00 0.00 35.03 33.99 3khj n LYS 338 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3khj n GLY 339 N 2.28 0.37 3.75 0.72 0.00 -1.26 -4.99 105.19 106.08 3khj n GLY 339 Ca -0.38 -1.74 -0.40 0.00 0.00 0.00 0.00 46.02 43.49 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 -0.91 4.74 0.52 1.61 4.04 -1.26 0.42 118.70 127.87 3khj s GLU 340 Ca 0.00 1.66 0.30 0.00 0.04 0.00 0.00 54.97 56.97 3khj s GLU 340 Cb 0.00 -3.23 1.38 0.00 0.02 0.00 0.00 34.13 32.29 3khj s GLU 340 CO 0.00 0.36 2.01 0.00 -1.84 0.00 0.00 175.26 175.78 3khj h MET 341 N 3.98 0.00 -0.61 -4.83 -0.00 -1.96 -3.23 114.93 108.28 3khj h MET 341 Ca -0.46 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.24 3khj h MET 341 Cb 1.21 0.00 -0.03 0.00 -0.00 0.00 0.00 31.60 32.78 3khj h MET 341 CO 0.67 0.10 0.39 1.49 -0.00 0.00 0.00 176.91 179.56 3khj h GLU 342 N 0.00 0.81 -0.10 -0.10 4.81 -1.96 -1.62 114.58 116.42 3khj h GLU 342 Ca -0.00 -0.06 -0.15 0.00 -0.13 0.00 0.00 59.36 59.02 3khj h GLU 342 Cb 0.48 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.67 3khj h GLU 342 CO 0.01 0.55 -0.58 0.78 -0.73 0.00 0.00 179.01 179.05 3khj h GLY 343 N 0.82 0.34 0.71 1.92 0.00 -1.98 -0.93 103.07 103.95 3khj h GLY 343 Ca 0.22 -0.40 -0.01 0.00 0.00 0.00 0.00 47.33 47.13 3khj h GLY 343 CO -0.05 0.36 -0.01 -2.08 0.00 0.00 0.00 176.54 174.77 3khj h VAL 344 N 0.23 1.27 -0.68 4.60 2.07 -1.61 -2.04 116.25 120.09 3khj h VAL 344 Ca -0.00 -0.84 -0.06 0.00 0.82 0.00 0.00 66.70 66.62 3khj h VAL 344 Cb 1.08 1.71 -0.03 0.00 -1.52 0.00 0.00 31.29 32.53 3khj h VAL 344 CO 0.09 0.23 0.20 0.58 0.02 0.00 0.00 177.57 178.70 3khj h VAL 345 N -0.20 1.25 -0.73 2.57 2.07 -1.32 -2.07 116.25 117.82 3khj h VAL 345 Ca 0.02 -0.87 0.08 0.00 0.82 0.00 0.00 66.70 66.74 3khj h VAL 345 Cb 0.37 0.51 -0.06 0.00 -1.52 0.00 0.00 31.29 30.58 3khj h VAL 345 CO 0.00 0.34 0.40 0.22 0.02 0.00 0.00 177.57 178.56 3khj h TYR 346 N 1.01 0.73 -0.50 1.57 3.20 -1.08 0.74 116.97 122.64 3khj h TYR 346 Ca 0.22 0.03 -0.12 0.00 3.14 0.00 0.00 58.73 62.00 3khj h TYR 346 Cb 0.30 -0.22 -0.01 0.00 1.54 0.00 0.00 36.73 38.33 3khj h TYR 346 CO 0.02 0.31 -0.15 0.37 -1.64 0.00 0.00 178.16 177.07 3khj h GLN 347 N 0.71 0.99 -0.41 1.82 -0.00 -1.03 -1.80 115.11 115.38 3khj h GLN 347 Ca 0.34 -0.39 -0.13 0.00 -0.00 0.00 0.00 58.65 58.47 3khj h GLN 347 Cb 0.28 -0.05 -0.01 0.00 0.00 0.00 0.00 27.48 27.70 3khj h GLN 347 CO -0.22 1.07 -0.26 -0.07 0.00 0.00 0.00 178.83 179.34 3khj h LEU 348 N 0.85 0.89 -0.04 -2.39 3.38 -0.79 -2.23 115.31 114.99 3khj h LEU 348 Ca 0.12 -0.35 -0.01 0.00 0.09 0.00 0.00 57.88 57.73 3khj h LEU 348 Cb 0.72 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.22 3khj h LEU 348 CO 0.06 1.10 -0.02 0.58 0.09 0.00 0.00 178.44 180.25 3khj h VAL 349 N 0.74 1.33 -0.42 1.22 2.07 -0.85 -2.84 116.25 117.50 3khj h VAL 349 Ca 0.09 -1.03 0.06 0.00 0.82 0.00 0.00 66.70 66.64 3khj h VAL 349 Cb 0.81 1.93 -0.02 0.00 -1.52 0.00 0.00 31.29 32.50 3khj h VAL 349 CO 0.07 0.28 0.28 1.23 0.02 0.00 0.00 177.57 179.45 3khj h GLY 350 N -0.30 0.40 1.21 2.17 0.00 -1.32 0.22 103.07 105.45 3khj h GLY 350 Ca 0.01 -0.13 -0.13 0.00 0.00 0.00 0.00 47.33 47.08 3khj h GLY 350 CO 0.01 0.10 -0.24 -1.33 0.00 0.00 0.00 176.54 175.08 3khj h GLY 351 N 0.32 0.97 1.08 4.60 0.00 -1.39 -1.70 103.07 106.96 3khj h GLY 351 Ca 0.18 -0.86 -0.13 0.00 0.00 0.00 0.00 47.33 46.52 3khj h GLY 351 CO -0.04 0.78 -0.22 -2.00 0.00 0.00 0.00 176.54 175.06 3khj h LEU 352 N 0.77 0.98 -0.36 3.11 6.46 -0.96 -1.33 115.31 123.97 3khj h LEU 352 Ca 0.10 -0.41 0.06 0.00 -0.12 0.00 0.00 57.88 57.52 3khj h LEU 352 Cb 0.79 -0.27 -0.06 0.00 -0.73 0.00 0.00 40.66 40.39 3khj h LEU 352 CO 0.07 1.17 0.01 0.03 -0.62 0.00 0.00 178.44 179.09 3khj h ARG 353 N 0.78 0.11 -0.52 1.25 2.47 -0.48 -1.37 114.38 116.62 3khj h ARG 353 Ca 0.10 -0.01 -0.05 0.00 -1.26 0.00 0.00 59.98 58.76 3khj h ARG 353 Cb 0.80 -0.02 -0.02 0.00 -1.65 0.00 0.00 29.97 29.08 3khj h ARG 353 CO 0.07 0.07 0.12 0.77 0.56 0.00 0.00 179.97 181.56 3khj h SER 354 N 0.11 0.79 -0.33 7.04 0.02 -1.25 -1.95 113.55 117.98 3khj h SER 354 Ca 0.18 -0.24 0.06 0.00 -0.84 0.00 0.00 61.79 60.95 3khj h SER 354 Cb 0.24 -0.21 -0.06 0.00 0.14 0.00 0.00 62.40 62.52 3khj h SER 354 CO -0.29 0.82 -0.03 0.00 -1.14 0.00 0.00 176.83 176.19 3khj h MET 356 N 0.06 0.00 -0.08 0.00 2.07 -1.22 -2.65 114.93 113.10 3khj h MET 356 Ca 0.16 0.00 -0.01 0.00 -2.07 0.00 0.00 59.70 57.78 3khj h MET 356 Cb 0.23 0.00 -0.00 0.00 -1.87 0.00 0.00 31.60 29.96 3khj h MET 356 CO -0.30 0.23 0.02 0.78 1.07 0.00 0.00 176.91 178.71 3khj h GLY 357 N 2.14 0.14 1.00 8.32 0.00 -0.50 0.11 103.07 114.28 3khj h GLY 357 Ca -0.00 -0.09 0.01 0.00 0.00 0.00 0.00 47.33 47.25 3khj h GLY 357 CO 0.03 0.08 0.42 -0.97 0.00 0.00 0.00 176.54 176.10 3khj h TYR 358 N -0.09 0.80 -0.00 5.60 -1.99 -1.14 -2.79 116.97 117.36 3khj h TYR 358 Ca 0.02 0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.77 3khj h TYR 358 Cb 0.25 -0.27 0.00 0.00 2.00 0.00 0.00 36.73 38.71 3khj h TYR 358 CO 0.01 0.50 -0.15 1.28 -0.00 0.00 0.00 178.16 179.79 3khj n LEU 359 N -4.65 0.32 -2.90 3.88 4.32 -1.01 -1.56 117.00 115.41 3khj n LEU 359 Ca 0.05 0.16 -0.16 0.00 -0.02 0.00 0.00 56.01 56.04 3khj n LEU 359 Cb 0.02 -0.29 0.07 0.00 -1.62 0.00 0.00 43.42 41.60 3khj n LEU 359 CO 0.35 0.07 0.13 0.61 -1.22 0.00 0.00 177.39 177.33 3khj n GLY 360 N 1.39 -0.20 3.38 -0.72 0.00 0.18 -4.21 105.19 105.01 3khj n GLY 360 Ca 0.10 0.01 -0.33 0.00 0.00 0.00 0.00 46.02 45.80 3khj n GLY 360 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3khj s SER 361 N -3.71 4.12 0.17 1.61 0.01 0.02 -4.70 113.70 111.21 3khj s SER 361 Ca 0.20 -0.31 0.19 0.00 1.31 0.00 0.00 55.95 57.34 3khj s SER 361 Cb -0.09 -1.64 -0.03 0.00 0.21 0.00 0.00 66.02 64.48 3khj s SER 361 CO 0.57 0.15 1.04 0.00 0.41 0.00 0.00 173.24 175.41 3khj h ALA 362 N 6.81 0.62 -2.59 1.44 0.00 -1.92 -3.43 119.26 120.20 3khj h ALA 362 Ca -0.28 -0.42 -0.15 0.00 0.00 0.00 0.00 54.91 54.06 3khj h ALA 362 Cb 1.21 0.11 -0.13 0.00 0.00 0.00 0.00 17.79 18.97 3khj h ALA 362 CO 0.57 0.47 -0.46 -1.54 0.00 0.00 0.00 179.25 178.30 3khj s SER 363 N -5.74 0.12 0.17 0.00 1.04 -1.26 0.07 113.70 108.11 3khj s SER 363 Ca -0.00 -1.10 -0.10 0.00 0.48 0.00 0.00 55.95 55.23 3khj s SER 363 Cb 0.09 0.40 0.04 0.00 0.10 0.00 0.00 66.02 66.65 3khj s SER 363 CO 0.79 -0.87 1.60 0.40 0.98 0.00 0.00 173.24 176.14 3khj h ILE 364 N 2.61 1.27 -0.57 -1.02 2.04 -1.82 0.32 117.51 120.34 3khj h ILE 364 Ca -0.33 -1.26 -0.03 0.00 1.00 0.00 0.00 64.86 64.24 3khj h ILE 364 Cb 1.23 0.94 -0.03 0.00 -0.74 0.00 0.00 36.82 38.22 3khj h ILE 364 CO 0.51 0.45 0.24 -0.33 0.00 0.00 0.00 178.15 179.02 3khj h GLU 365 N 0.93 0.81 -0.00 2.37 5.08 -1.95 -2.08 114.58 119.75 3khj h GLU 365 Ca 0.15 -0.11 -0.17 0.00 -1.00 0.00 0.00 59.36 58.23 3khj h GLU 365 Cb 0.67 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.75 3khj h GLU 365 CO 0.05 0.65 -0.77 1.49 -1.00 0.00 0.00 179.01 179.43 3khj h GLU 366 N 0.81 0.05 -0.77 2.33 4.81 -1.91 -3.28 114.58 116.62 3khj h GLU 366 Ca 0.20 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.35 3khj h GLU 366 Cb 0.13 0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.49 3khj h GLU 366 CO -0.02 0.80 0.40 1.25 -0.73 0.00 0.00 179.01 180.71 3khj h LEU 367 N 0.03 0.98 -1.26 1.64 5.85 -0.25 -2.94 115.31 119.35 3khj h LEU 367 Ca -0.01 -0.11 0.07 0.00 0.84 0.00 0.00 57.88 58.66 3khj h LEU 367 Cb 1.36 -0.25 -0.05 0.00 0.37 0.00 0.00 40.66 42.09 3khj h LEU 367 CO 0.11 0.81 0.54 -0.50 -0.34 0.00 0.00 178.44 179.05 3khj h TRP 368 N 1.07 0.90 -0.18 1.25 6.55 -1.51 -2.78 115.95 121.25 3khj h TRP 368 Ca 0.27 0.02 -0.17 0.00 0.95 0.00 0.00 58.89 59.96 3khj h TRP 368 Cb 0.06 -0.30 -0.00 0.00 -0.86 0.00 0.00 29.16 28.06 3khj h TRP 368 CO 0.00 0.47 -0.60 0.87 -1.05 0.00 0.00 178.44 178.13 3khj h LYS 369 N 0.88 0.60 -1.46 0.49 6.56 -1.66 -3.34 116.57 118.65 3khj h LYS 369 Ca 0.36 -0.40 -0.62 0.00 -1.06 0.00 0.00 60.65 58.93 3khj h LYS 369 Cb 0.25 0.06 -0.39 0.00 -0.57 0.00 0.00 32.23 31.58 3khj h LYS 369 CO -0.13 1.02 -0.40 0.36 -2.06 0.00 0.00 179.45 178.25 3khj n LYS 370 N -3.94 3.32 -4.66 3.15 2.85 -1.06 -5.02 118.16 112.80 3khj n LYS 370 Ca -0.04 -4.25 -0.34 0.00 -1.05 0.00 0.00 58.31 52.63 3khj n LYS 370 Cb 0.64 -2.26 -0.12 0.00 -0.65 0.00 0.00 35.03 32.64 3khj n LYS 370 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 177.40 176.23 3khj s SER 371 N -3.09 4.56 -0.09 -5.58 0.01 -1.12 -4.94 113.70 103.45 3khj s SER 371 Ca 0.50 -0.06 -0.21 0.00 1.31 0.00 0.00 55.95 57.49 3khj s SER 371 Cb 0.41 -1.16 0.05 0.00 0.21 0.00 0.00 66.02 65.53 3khj s SER 371 CO -0.18 0.35 0.50 -0.94 0.41 0.00 0.00 173.24 173.38 3khj s SER 372 N -0.73 -0.46 0.05 2.44 1.04 -1.26 -5.09 113.70 109.69 3khj s SER 372 Ca 0.11 0.61 0.01 0.00 0.48 0.00 0.00 55.95 57.16 3khj s SER 372 Cb -0.11 0.63 -0.03 0.00 0.10 0.00 0.00 66.02 66.61 3khj s SER 372 CO 0.01 -0.42 -0.05 -0.72 0.98 0.00 0.00 173.24 173.05 3khj s TYR 373 N -0.77 0.59 -0.06 5.02 1.13 -1.26 -0.67 117.35 121.33 3khj s TYR 373 Ca -0.08 -0.79 -0.00 0.00 -1.41 0.00 0.00 57.07 54.78 3khj s TYR 373 Cb -0.03 -0.38 -0.03 0.00 -1.10 0.00 0.00 41.96 40.42 3khj s TYR 373 CO 0.05 -0.22 -0.02 0.14 -2.51 0.00 0.00 175.55 173.00 3khj s VAL 374 N -2.78 4.11 -0.08 -3.49 -7.23 -0.42 -4.93 120.40 105.58 3khj s VAL 374 Ca -0.00 -0.41 -0.30 0.00 -1.81 0.00 0.00 61.98 59.46 3khj s VAL 374 Cb -0.00 -2.75 -0.03 0.00 0.56 0.00 0.00 36.38 34.16 3khj s VAL 374 CO -0.05 0.54 1.24 -1.61 -0.31 0.00 0.00 175.10 174.91 3khj s GLU 375 N -1.05 4.31 -0.09 4.82 2.02 -1.26 -1.61 118.70 125.83 3khj s GLU 375 Ca 0.15 1.70 0.00 0.00 0.02 0.00 0.00 54.97 56.84 3khj s GLU 375 Cb -0.11 -3.61 -0.03 0.00 0.10 0.00 0.00 34.13 30.48 3khj s GLU 375 CO 0.04 -0.53 -0.08 -1.50 0.02 0.00 0.00 175.26 173.21 3khj s ILE 376 N 2.56 3.54 -0.26 -1.63 -1.16 0.29 -4.98 121.20 119.56 3khj s ILE 376 Ca 0.56 -0.52 -0.25 0.00 -0.51 0.00 0.00 60.65 59.93 3khj s ILE 376 Cb -0.25 -2.47 -0.00 0.00 0.61 0.00 0.00 42.46 40.36 3khj s ILE 376 CO 0.21 0.56 0.87 0.42 -2.81 0.00 0.00 174.94 174.19 3khj s THR 377 N -0.36 4.79 -0.13 4.00 -4.23 -1.26 -4.69 115.64 113.75 3khj s THR 377 Ca 0.05 1.57 0.30 0.00 -1.18 0.00 0.00 61.69 62.43 3khj s THR 377 Cb -0.12 -4.17 0.35 0.00 1.34 0.00 0.00 72.50 69.90 3khj s THR 377 CO 0.02 -0.14 1.87 0.00 -0.54 0.00 0.00 174.62 175.83 3khj h THR 378 N 5.48 0.00 0.00 3.99 1.03 -1.93 -3.53 112.91 117.95 3khj h THR 378 Ca -0.23 -0.51 0.00 0.00 -0.01 0.00 0.00 66.41 65.66 3khj h THR 378 Cb 1.09 1.45 0.00 0.00 -1.07 0.00 0.00 68.15 69.62 3khj h THR 378 CO 0.90 0.00 0.00 -0.24 -0.01 0.00 0.00 175.52 176.17