#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 -6.42 1.09 1.57 -2.14 -3.43 116.57 107.24 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 -0.04 0.00 0.08 0.00 0.00 32.23 32.27 3khj h LYS 4 CO 0.00 0.00 1.08 1.21 -0.57 0.00 0.00 179.45 181.17 3khj s ASN 5 N -5.81 6.36 0.00 0.86 3.84 -1.26 -4.89 114.94 114.04 3khj s ASN 5 Ca 0.07 1.09 0.23 0.00 0.21 0.00 0.00 52.86 54.46 3khj s ASN 5 Cb 0.07 -2.54 0.14 0.00 -0.55 0.00 0.00 41.25 38.37 3khj s ASN 5 CO 0.64 -1.36 1.20 2.30 -2.79 0.00 0.00 177.10 177.08 3khj n ILE 6 N 6.83 0.00 0.00 -5.21 -5.35 -1.26 -5.05 119.36 109.32 3khj n ILE 6 Ca 0.17 -0.31 0.00 0.00 -0.27 0.00 0.00 62.75 62.34 3khj n ILE 6 Cb 0.47 1.22 0.00 0.00 -1.74 0.00 0.00 39.64 39.59 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 1.39 2.01 3.67 3.28 0.00 -1.26 -5.08 105.19 109.20 3khj n GLY 7 Ca 0.11 -1.77 -0.39 0.00 0.00 0.00 0.00 46.02 43.97 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 -1.57 4.20 -0.04 1.61 2.20 -1.26 -5.07 119.74 119.82 3khj s LYS 8 Ca 0.00 0.32 -0.17 0.00 -0.36 0.00 0.00 55.97 55.76 3khj s LYS 8 Cb 0.00 -3.53 -0.05 0.00 -1.51 0.00 0.00 37.83 32.73 3khj s LYS 8 CO 0.00 -0.06 0.46 0.20 -0.36 0.00 0.00 175.35 175.59 3khj s GLY 9 N 1.03 2.47 -0.09 5.54 0.00 -1.26 -5.04 107.32 109.97 3khj s GLY 9 Ca 0.22 -0.17 -0.00 0.00 0.00 0.00 0.00 44.72 44.77 3khj s GLY 9 CO 0.09 0.46 -0.08 1.08 0.00 0.00 0.00 173.10 174.65 3khj s LEU 10 N -0.36 3.08 0.00 0.66 1.43 -1.26 -4.86 118.68 117.37 3khj s LEU 10 Ca 0.25 -0.11 0.04 0.00 -1.03 0.00 0.00 54.13 53.28 3khj s LEU 10 Cb -0.16 -1.68 0.04 0.00 0.03 0.00 0.00 46.19 44.41 3khj s LEU 10 CO 0.13 0.29 0.31 1.07 0.23 0.00 0.00 176.35 178.37 3khj n THR 11 N 2.71 0.00 -0.10 5.49 5.66 -1.26 -2.33 114.28 124.45 3khj n THR 11 Ca -0.18 -0.91 -0.09 0.00 -3.05 0.00 0.00 64.05 59.83 3khj n THR 11 Cb 0.53 -0.63 -0.01 0.00 -1.55 0.00 0.00 70.33 68.66 3khj n THR 11 CO 0.00 0.00 0.00 -0.26 -3.05 0.00 0.00 175.07 171.76 3khj h PHE 12 N 0.21 0.46 0.00 1.09 0.05 -1.95 -3.03 116.94 113.77 3khj h PHE 12 Ca -0.13 -0.01 0.00 0.00 3.82 0.00 0.00 57.97 61.65 3khj h PHE 12 Cb 0.56 -0.15 0.00 0.00 2.00 0.00 0.00 35.95 38.37 3khj h PHE 12 CO 0.00 0.36 0.00 0.93 -0.18 0.00 0.00 178.31 179.42 3khj h GLU 13 N 0.42 0.00 -0.01 1.51 3.07 -1.96 -2.73 114.58 114.88 3khj h GLU 13 Ca 0.12 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.98 3khj h GLU 13 Cb 0.06 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.97 3khj h GLU 13 CO -0.02 0.00 -0.03 -0.25 -1.40 0.00 0.00 179.01 177.31 3khj n ASP 14 N -2.34 0.85 -4.10 1.42 8.00 -1.14 -4.86 116.55 114.38 3khj n ASP 14 Ca 0.02 -1.15 -0.18 0.00 0.71 0.00 0.00 54.79 54.19 3khj n ASP 14 Cb 0.24 -0.00 -0.13 0.00 -0.02 0.00 0.00 41.12 41.20 3khj n ASP 14 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3khj s ILE 15 N -2.11 0.89 -0.02 0.53 1.01 -1.03 -0.60 121.20 119.86 3khj s ILE 15 Ca 0.38 -0.88 0.01 0.00 0.00 0.00 0.00 60.65 60.16 3khj s ILE 15 Cb 0.21 -0.82 0.02 0.00 0.01 0.00 0.00 42.46 41.87 3khj s ILE 15 CO 0.38 -0.05 -0.02 -0.76 0.00 0.00 0.00 174.94 174.49 3khj s LEU 16 N -1.05 1.51 0.18 2.97 1.02 -0.55 -4.93 118.68 117.84 3khj s LEU 16 Ca -0.01 -0.06 -0.30 0.00 0.02 0.00 0.00 54.13 53.79 3khj s LEU 16 Cb -0.07 -0.25 -0.08 0.00 0.02 0.00 0.00 46.19 45.81 3khj s LEU 16 CO 0.01 -0.04 1.02 -0.76 0.02 0.00 0.00 176.35 176.60 3khj s LEU 17 N 0.59 4.54 -0.16 1.79 1.43 -1.26 -0.53 118.68 125.07 3khj s LEU 17 Ca -0.06 1.98 -0.20 0.00 -1.03 0.00 0.00 54.13 54.82 3khj s LEU 17 Cb -0.09 -3.60 -0.03 0.00 0.03 0.00 0.00 46.19 42.49 3khj s LEU 17 CO -0.01 -0.06 0.57 -0.69 0.23 0.00 0.00 176.35 176.39 3khj s VAL 18 N -0.51 5.09 0.50 -1.59 1.01 -0.54 -4.91 120.40 119.45 3khj s VAL 18 Ca 0.46 1.09 -0.23 0.00 0.00 0.00 0.00 61.98 63.30 3khj s VAL 18 Cb -0.27 -3.89 -0.06 0.00 0.00 0.00 0.00 36.38 32.15 3khj s VAL 18 CO 0.33 0.20 1.33 -2.84 0.00 0.00 0.00 175.10 174.12 3khj s PRO 19 N 1.39 3.45 0.44 2.72 0.02 -1.26 -4.65 135.00 137.10 3khj s PRO 19 Ca 0.28 2.18 0.06 0.00 0.02 0.00 0.00 61.00 63.54 3khj s PRO 19 Cb -0.16 -2.42 -0.04 0.00 0.02 0.00 0.00 34.50 31.90 3khj s PRO 19 CO 0.11 -0.92 0.14 -0.80 -0.33 0.00 0.00 177.00 175.20 3khj s ASN 20 N -0.91 4.29 0.28 2.53 0.02 -0.59 -4.95 114.94 115.63 3khj s ASN 20 Ca 0.66 -1.23 -0.30 0.00 -1.02 0.00 0.00 52.86 50.97 3khj s ASN 20 Cb -0.39 -0.24 -0.12 0.00 0.02 0.00 0.00 41.25 40.52 3khj s ASN 20 CO 0.47 -0.62 1.48 0.00 0.02 0.00 0.00 177.10 178.45 3khj n TYR 21 N -1.24 2.53 -4.56 2.20 9.36 -1.26 -4.43 117.16 119.76 3khj n TYR 21 Ca -0.04 0.37 -0.22 0.00 3.32 0.00 0.00 57.90 61.33 3khj n TYR 21 Cb 0.65 -2.52 -0.15 0.00 -0.63 0.00 0.00 39.34 36.69 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 0.28 1.54 0.00 2.98 0.15 -1.26 -4.25 113.70 113.13 3khj s SER 22 Ca 0.64 -0.24 0.02 0.00 0.70 0.00 0.00 55.95 57.06 3khj s SER 22 Cb -0.56 -0.36 -0.01 0.00 -1.71 0.00 0.00 66.02 63.38 3khj s SER 22 CO 0.52 0.11 0.26 -0.62 1.20 0.00 0.00 173.24 174.70 3khj n GLU 23 N 3.12 3.81 -3.97 5.44 1.02 -1.26 -5.03 120.64 123.78 3khj n GLU 23 Ca -0.17 -0.23 -0.35 0.00 -0.02 0.00 0.00 57.16 56.39 3khj n GLU 23 Cb 0.54 -0.75 -0.12 0.00 -0.02 0.00 0.00 31.44 31.09 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 -0.81 4.31 0.46 2.62 -7.23 -1.26 -5.10 120.40 113.39 3khj s VAL 24 Ca 0.01 -0.19 -0.22 0.00 -1.81 0.00 0.00 61.98 59.78 3khj s VAL 24 Cb 0.02 -2.97 -0.08 0.00 0.56 0.00 0.00 36.38 33.91 3khj s VAL 24 CO 0.06 0.41 1.07 -0.76 -0.31 0.00 0.00 175.10 175.57 3khj s LEU 25 N 1.03 3.96 0.42 1.32 2.01 -1.26 -4.63 118.68 121.53 3khj s LEU 25 Ca 0.03 2.05 0.27 0.00 0.01 0.00 0.00 54.13 56.49 3khj s LEU 25 Cb -0.14 -4.39 1.34 0.00 0.01 0.00 0.00 46.19 43.01 3khj s LEU 25 CO 0.02 -0.75 1.66 -0.65 1.01 0.00 0.00 176.35 177.64 3khj h PRO 26 N 1.91 0.15 0.00 1.29 0.11 -1.93 0.06 132.00 133.59 3khj h PRO 26 Ca -0.49 -0.01 -0.09 0.00 0.11 0.00 0.00 66.00 65.51 3khj h PRO 26 Cb 1.23 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 3khj h PRO 26 CO 0.60 0.10 -0.45 0.00 -0.21 0.00 0.00 178.00 178.04 3khj h ARG 27 N 0.16 0.00 0.00 1.05 -0.00 -1.92 -2.99 114.38 110.68 3khj h ARG 27 Ca 0.77 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 60.25 3khj h ARG 27 Cb 2.29 0.00 0.00 0.00 0.00 0.00 0.00 29.97 32.26 3khj h ARG 27 CO -0.41 0.45 0.00 0.39 0.00 0.00 0.00 179.97 180.40 3khj n GLU 28 N -4.00 0.14 -2.46 0.04 1.02 0.01 -4.88 120.64 110.51 3khj n GLU 28 Ca -0.02 0.04 -0.42 0.00 -0.02 0.00 0.00 57.16 56.74 3khj n GLU 28 Cb 0.47 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.37 3khj n GLU 28 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3khj s VAL 29 N -2.84 4.23 -0.14 2.62 1.01 -1.13 -4.98 120.40 119.16 3khj s VAL 29 Ca 0.18 1.57 -0.24 0.00 0.00 0.00 0.00 61.98 63.48 3khj s VAL 29 Cb 0.18 -4.01 -0.02 0.00 0.00 0.00 0.00 36.38 32.53 3khj s VAL 29 CO 0.46 0.03 0.76 -0.55 0.00 0.00 0.00 175.10 175.80 3khj s SER 30 N 1.38 6.93 -0.05 3.32 0.15 0.13 -4.95 113.70 120.61 3khj s SER 30 Ca 0.56 1.13 0.18 0.00 0.70 0.00 0.00 55.95 58.53 3khj s SER 30 Cb -0.26 -2.43 0.60 0.00 -1.71 0.00 0.00 66.02 62.22 3khj s SER 30 CO 0.24 -0.29 1.51 0.18 1.20 0.00 0.00 173.24 176.08 3khj n LEU 31 N 4.72 4.01 -4.66 3.45 4.77 -1.26 -4.14 117.00 123.89 3khj n LEU 31 Ca 0.02 -2.20 -0.45 0.00 -0.03 0.00 0.00 56.01 53.35 3khj n LEU 31 Cb 0.50 -0.47 -0.03 0.00 -2.33 0.00 0.00 43.42 41.09 3khj n LEU 31 CO 0.47 0.86 1.00 -0.62 -1.33 0.00 0.00 177.39 177.78 3khj n GLU 32 N 1.13 1.97 -3.96 3.23 -0.58 -1.17 -3.99 120.64 117.28 3khj n GLU 32 Ca 0.22 0.70 -0.08 0.00 -0.42 0.00 0.00 57.16 57.58 3khj n GLU 32 Cb 0.68 -2.36 -0.04 0.00 -0.57 0.00 0.00 31.44 29.16 3khj n GLU 32 CO 0.00 0.00 0.00 -0.08 -0.48 0.00 0.00 177.13 176.57 3khj s THR 33 N -0.00 0.00 -0.20 2.62 -1.32 -0.48 -4.59 115.64 111.67 3khj s THR 33 Ca 0.69 -1.28 -0.06 0.00 -1.21 0.00 0.00 61.69 59.83 3khj s THR 33 Cb -0.67 -2.15 -0.03 0.00 -1.51 0.00 0.00 72.50 68.14 3khj s THR 33 CO 0.49 0.00 0.02 -0.54 -2.21 0.00 0.00 174.62 172.38 3khj s LYS 34 N -3.96 3.72 -0.12 7.08 1.02 -1.26 0.05 119.74 126.28 3khj s LYS 34 Ca 0.19 -0.47 -0.17 0.00 0.02 0.00 0.00 55.97 55.54 3khj s LYS 34 Cb -0.02 -3.13 -0.15 0.00 -0.52 0.00 0.00 37.83 34.01 3khj s LYS 34 CO 0.09 0.07 0.47 1.25 -0.92 0.00 0.00 175.35 176.31 3khj h LEU 35 N 7.32 -0.02 0.00 3.17 5.85 -1.48 -3.43 115.31 126.73 3khj h LEU 35 Ca -0.36 -0.54 -0.13 0.00 0.84 0.00 0.00 57.88 57.69 3khj h LEU 35 Cb 1.18 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.18 3khj h LEU 35 CO 0.63 0.75 -0.11 0.35 -0.34 0.00 0.00 178.44 179.72 3khj n THR 36 N -4.70 0.00 -0.10 1.05 -2.24 -1.12 -4.76 114.28 102.40 3khj n THR 36 Ca -0.06 -0.54 0.14 0.00 -2.27 0.00 0.00 64.05 61.32 3khj n THR 36 Cb 0.27 0.16 0.52 0.00 -2.10 0.00 0.00 70.33 69.17 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 0.37 0.00 -0.78 3.64 -1.72 -3.23 116.57 114.85 3khj h LYS 37 Ca -0.08 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.28 3khj h LYS 37 Cb 0.28 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.02 3khj h LYS 37 CO 0.13 0.24 0.00 0.09 -2.27 0.00 0.00 179.45 177.64 3khj n ASN 38 N -4.47 0.57 -4.45 4.20 3.02 -1.26 -5.01 115.26 107.86 3khj n ASN 38 Ca 0.11 -0.80 -0.33 0.00 -0.03 0.00 0.00 54.58 53.53 3khj n ASN 38 Cb 0.45 0.31 -0.13 0.00 -0.61 0.00 0.00 39.78 39.79 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 -0.31 3.27 0.19 2.41 1.01 -1.22 -5.09 120.40 120.66 3khj s VAL 39 Ca 0.00 -0.61 0.10 0.00 0.00 0.00 0.00 61.98 61.47 3khj s VAL 39 Cb 0.00 -2.35 -0.04 0.00 0.00 0.00 0.00 36.38 33.99 3khj s VAL 39 CO 0.00 0.55 -0.14 -0.44 0.00 0.00 0.00 175.10 175.07 3khj s SER 40 N -0.15 3.99 0.11 3.32 0.01 -1.26 -1.21 113.70 118.51 3khj s SER 40 Ca 0.00 -0.67 0.08 0.00 1.31 0.00 0.00 55.95 56.67 3khj s SER 40 Cb -0.13 -0.57 -0.04 0.00 0.21 0.00 0.00 66.02 65.49 3khj s SER 40 CO 0.03 0.11 -0.19 -0.76 0.41 0.00 0.00 173.24 172.84 3khj s LEU 41 N -2.79 2.33 0.06 2.44 1.43 0.11 -4.81 118.68 117.45 3khj s LEU 41 Ca 0.24 -0.72 -0.08 0.00 -1.03 0.00 0.00 54.13 52.54 3khj s LEU 41 Cb -0.08 -0.81 -0.31 0.00 0.03 0.00 0.00 46.19 45.02 3khj s LEU 41 CO 0.14 0.01 1.09 0.11 0.23 0.00 0.00 176.35 177.92 3khj h LYS 42 N 3.90 0.36 -5.46 1.70 1.79 -1.23 -1.27 116.57 116.36 3khj h LYS 42 Ca -0.44 -0.61 -0.48 0.00 -2.18 0.00 0.00 60.65 56.94 3khj h LYS 42 Cb 1.19 0.23 -0.26 0.00 -1.58 0.00 0.00 32.23 31.81 3khj h LYS 42 CO 0.43 1.29 -0.81 0.96 -1.08 0.00 0.00 179.45 180.24 3khj s ILE 43 N -2.64 1.22 -0.26 1.86 -4.36 -0.62 -3.03 121.20 113.37 3khj s ILE 43 Ca -0.06 -0.96 -0.04 0.00 -0.26 0.00 0.00 60.65 59.34 3khj s ILE 43 Cb 0.06 -1.07 -0.03 0.00 1.25 0.00 0.00 42.46 42.67 3khj s ILE 43 CO 0.90 0.10 2.87 -0.81 0.24 0.00 0.00 174.94 178.25 3khj n PRO 44 N 2.06 2.08 -5.24 0.37 -0.04 -1.26 -4.30 135.00 128.67 3khj n PRO 44 Ca -0.17 -1.63 -0.31 0.00 -0.04 0.00 0.00 63.50 61.35 3khj n PRO 44 Cb 0.54 -1.93 -0.16 0.00 -0.04 0.00 0.00 33.50 31.91 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 -1.27 2.13 -0.01 1.53 1.43 -1.26 -1.14 118.68 120.08 3khj s LEU 45 Ca 0.53 -0.47 0.03 0.00 -1.03 0.00 0.00 54.13 53.19 3khj s LEU 45 Cb 0.31 -1.38 -0.00 0.00 0.03 0.00 0.00 46.19 45.15 3khj s LEU 45 CO -0.10 0.28 -0.10 -0.63 0.23 0.00 0.00 176.35 176.03 3khj s ILE 46 N -0.36 0.78 -0.06 -0.59 1.01 0.48 -2.94 121.20 119.53 3khj s ILE 46 Ca 0.03 -0.40 -0.20 0.00 0.00 0.00 0.00 60.65 60.07 3khj s ILE 46 Cb -0.12 -0.67 -0.05 0.00 0.01 0.00 0.00 42.46 41.63 3khj s ILE 46 CO 0.02 0.23 0.57 -0.94 0.00 0.00 0.00 174.94 174.82 3khj s SER 47 N -0.08 6.87 0.40 3.58 1.04 -1.03 0.15 113.70 124.63 3khj s SER 47 Ca 0.01 1.04 -0.27 0.00 0.48 0.00 0.00 55.95 57.21 3khj s SER 47 Cb -0.06 -2.34 -0.10 0.00 0.10 0.00 0.00 66.02 63.62 3khj s SER 47 CO -0.00 0.03 1.48 -1.20 0.98 0.00 0.00 173.24 174.53 3khj n SER 48 N 3.23 3.70 -3.84 7.02 7.64 0.48 -3.31 113.62 128.53 3khj n SER 48 Ca -0.06 1.20 -0.41 0.00 1.01 0.00 0.00 58.87 60.61 3khj n SER 48 Cb 0.51 -1.62 -0.03 0.00 -1.01 0.00 0.00 64.21 62.06 3khj n SER 48 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3khj n ALA 49 N 0.25 3.88 -2.72 -0.43 0.00 -1.25 -3.78 120.51 116.46 3khj n ALA 49 Ca 0.02 -3.51 -0.18 0.00 0.00 0.00 0.00 53.44 49.78 3khj n ALA 49 Cb 0.40 -3.59 -0.12 0.00 0.00 0.00 0.00 19.45 16.13 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 4.52 0.77 0.00 0.00 -1.94 -1.26 -4.60 119.30 116.80 3khj s MET 50 Ca 0.55 -0.81 0.21 0.00 -1.71 0.00 0.00 55.69 53.94 3khj s MET 50 Cb 0.12 -0.73 1.28 0.00 2.01 0.00 0.00 34.83 37.51 3khj s MET 50 CO 0.05 0.17 1.68 -0.40 -0.01 0.00 0.00 175.02 176.51 3khj n ASP 51 N 1.61 0.00 -0.22 3.03 3.85 -1.26 -1.70 116.55 121.86 3khj n ASP 51 Ca -0.20 -0.78 0.03 0.00 -0.71 0.00 0.00 54.79 53.13 3khj n ASP 51 Cb 0.55 0.00 0.03 0.00 -1.35 0.00 0.00 41.12 40.34 3khj n ASP 51 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 177.20 176.54 3khj n THR 52 N -0.96 0.10 0.03 2.12 -2.24 -1.26 -4.76 114.28 107.31 3khj n THR 52 Ca 0.16 -0.55 -0.01 0.00 -2.27 0.00 0.00 64.05 61.39 3khj n THR 52 Cb 0.07 1.05 -0.00 0.00 -2.10 0.00 0.00 70.33 69.35 3khj n THR 52 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 3khj n VAL 53 N 0.27 1.02 -4.03 2.28 0.31 -0.80 -4.35 118.33 113.03 3khj n VAL 53 Ca 0.03 0.32 -0.32 0.00 -0.01 0.00 0.00 64.34 64.36 3khj n VAL 53 Cb 0.15 -1.53 -0.15 0.00 -0.91 0.00 0.00 33.84 31.40 3khj n VAL 53 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 3khj s THR 54 N -1.87 2.33 0.00 2.52 2.01 -0.69 -4.22 115.64 115.73 3khj s THR 54 Ca -0.02 -1.65 0.00 0.00 0.31 0.00 0.00 61.69 60.33 3khj s THR 54 Cb 0.00 -2.40 0.00 0.00 0.01 0.00 0.00 72.50 70.11 3khj s THR 54 CO 0.02 -0.09 0.00 -0.62 -0.69 0.00 0.00 174.62 173.24 3khj n GLU 55 N 4.45 2.63 -0.30 4.92 1.02 -1.26 -3.56 120.64 128.54 3khj n GLU 55 Ca -0.12 0.00 -0.05 0.00 -0.02 0.00 0.00 57.16 56.97 3khj n GLU 55 Cb 0.42 0.00 0.07 0.00 -0.02 0.00 0.00 31.44 31.91 3khj n GLU 55 CO 0.00 0.00 0.00 1.12 1.18 0.00 0.00 177.13 179.43 3khj h HIS 56 N 0.00 1.15 -0.40 -0.32 2.07 -1.92 -1.29 115.15 114.44 3khj h HIS 56 Ca 0.00 -0.04 -0.01 0.00 -2.85 0.00 0.00 60.37 57.47 3khj h HIS 56 Cb 0.00 -0.36 -0.02 0.00 2.57 0.00 0.00 27.41 29.60 3khj h HIS 56 CO 0.00 0.82 0.21 -0.07 -3.07 0.00 0.00 177.93 175.82 3khj h LEU 57 N 1.15 0.51 -0.78 6.12 3.38 -1.95 -0.85 115.31 122.90 3khj h LEU 57 Ca 0.29 -0.10 -0.03 0.00 0.09 0.00 0.00 57.88 58.12 3khj h LEU 57 Cb 0.07 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.65 3khj h LEU 57 CO -0.04 0.47 0.37 -0.03 0.09 0.00 0.00 178.44 179.30 3khj h MET 58 N 0.51 1.12 -0.23 1.13 4.05 -1.37 -1.60 114.93 118.54 3khj h MET 58 Ca 0.14 -0.17 -0.12 0.00 -0.28 0.00 0.00 59.70 59.28 3khj h MET 58 Cb 0.08 -0.20 -0.01 0.00 -0.80 0.00 0.00 31.60 30.67 3khj h MET 58 CO -0.02 0.87 -0.35 0.00 0.23 0.00 0.00 176.91 177.63 3khj h ALA 59 N 1.19 0.95 -0.08 0.39 0.00 -0.96 -0.45 119.26 120.30 3khj h ALA 59 Ca 0.27 -0.41 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 3khj h ALA 59 Cb 0.12 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 3khj h ALA 59 CO -0.03 0.62 -0.04 0.28 0.00 0.00 0.00 179.25 180.08 3khj h VAL 60 N 0.43 1.32 -0.36 0.00 2.07 -0.99 -1.79 116.25 116.92 3khj h VAL 60 Ca 0.05 -1.03 0.05 0.00 0.82 0.00 0.00 66.70 66.59 3khj h VAL 60 Cb 0.82 1.84 -0.05 0.00 -1.52 0.00 0.00 31.29 32.39 3khj h VAL 60 CO 0.07 0.29 0.08 1.23 0.02 0.00 0.00 177.57 179.26 3khj h GLY 61 N -0.20 0.43 0.97 2.17 0.00 -1.20 -1.02 103.07 104.22 3khj h GLY 61 Ca 0.02 -0.03 -0.01 0.00 0.00 0.00 0.00 47.33 47.31 3khj h GLY 61 CO 0.01 -0.02 0.24 -0.33 0.00 0.00 0.00 176.54 176.44 3khj h MET 62 N 0.21 0.60 -0.59 4.80 2.86 -1.11 -2.69 114.93 119.01 3khj h MET 62 Ca 0.17 -0.07 -0.10 0.00 -2.06 0.00 0.00 59.70 57.64 3khj h MET 62 Cb 0.19 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 31.71 3khj h MET 62 CO -0.22 0.48 -0.02 0.00 1.06 0.00 0.00 176.91 178.22 3khj h ALA 63 N 1.09 0.86 0.00 6.32 0.00 -1.05 0.96 119.26 127.44 3khj h ALA 63 Ca 0.15 -0.31 -0.06 0.00 0.00 0.00 0.00 54.91 54.69 3khj h ALA 63 Cb 0.05 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 3khj h ALA 63 CO -0.02 0.66 -0.28 0.00 0.00 0.00 0.00 179.25 179.61 3khj h ARG 64 N 0.95 0.00 -0.01 0.00 3.08 -1.16 -2.73 114.38 114.51 3khj h ARG 64 Ca 0.17 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.22 3khj h ARG 64 Cb 0.57 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.62 3khj h ARG 64 CO 0.03 0.28 -0.19 1.28 -1.07 0.00 0.00 179.97 180.30 3khj n LEU 65 N -3.83 0.81 0.00 3.04 4.77 -1.02 -4.92 117.00 115.84 3khj n LEU 65 Ca -0.01 -0.15 0.00 0.00 -0.03 0.00 0.00 56.01 55.81 3khj n LEU 65 Cb 0.37 -0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.31 3khj n LEU 65 CO 0.35 0.15 0.00 0.61 -1.33 0.00 0.00 177.39 177.17 3khj n GLY 66 N 1.32 0.72 0.00 -0.72 0.00 -1.03 -4.66 105.19 100.82 3khj n GLY 66 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 -1.38 3.21 3.19 -0.02 0.00 0.31 -0.76 105.19 109.75 3khj n GLY 67 Ca 0.00 -1.92 -0.13 0.00 0.00 0.00 0.00 46.02 43.98 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 2.38 -0.01 -0.11 -0.61 2.07 -1.15 -3.64 121.20 120.12 3khj s ILE 68 Ca 0.00 0.03 -0.09 0.00 -1.41 0.00 0.00 60.65 59.18 3khj s ILE 68 Cb 0.00 -0.46 -0.04 0.00 0.13 0.00 0.00 42.46 42.09 3khj s ILE 68 CO 0.00 0.01 0.18 -0.83 -1.91 0.00 0.00 174.94 172.40 3khj s GLY 69 N 0.47 2.19 -0.26 1.50 0.00 -1.26 -2.48 107.32 107.48 3khj s GLY 69 Ca -0.02 -0.58 -0.01 0.00 0.00 0.00 0.00 44.72 44.10 3khj s GLY 69 CO -0.02 -0.21 -0.05 -0.42 0.00 0.00 0.00 173.10 172.40 3khj s ILE 70 N -0.80 2.85 0.09 0.90 1.01 -1.21 -1.38 121.20 122.66 3khj s ILE 70 Ca 0.15 -1.17 -0.31 0.00 0.00 0.00 0.00 60.65 59.32 3khj s ILE 70 Cb -0.13 -2.52 -0.08 0.00 0.01 0.00 0.00 42.46 39.75 3khj s ILE 70 CO 0.05 0.10 1.42 -0.63 0.00 0.00 0.00 174.94 175.88 3khj s ILE 71 N 1.29 3.31 0.77 2.92 -1.09 -0.54 -3.76 121.20 124.10 3khj s ILE 71 Ca -0.02 0.90 -0.12 0.00 -2.23 0.00 0.00 60.65 59.18 3khj s ILE 71 Cb -0.18 -3.58 0.06 0.00 -1.58 0.00 0.00 42.46 37.19 3khj s ILE 71 CO -0.04 0.05 1.12 -1.38 -1.23 0.00 0.00 174.94 173.46 3khj s HIS 72 N 1.46 2.36 -2.73 3.97 -3.43 -1.23 -1.37 115.29 114.32 3khj s HIS 72 Ca 0.66 1.60 0.24 0.00 -0.80 0.00 0.00 55.06 56.76 3khj s HIS 72 Cb -0.37 -3.16 0.42 0.00 -1.43 0.00 0.00 32.58 28.04 3khj s HIS 72 CO 0.30 -2.03 1.39 0.36 -2.00 0.00 0.00 174.74 172.76 3khj n LYS 73 N -3.35 2.23 -0.79 -0.38 2.85 -1.26 -4.62 118.16 112.84 3khj n LYS 73 Ca 0.10 -1.82 -0.09 0.00 -1.05 0.00 0.00 58.31 55.45 3khj n LYS 73 Cb 0.52 -1.47 -0.13 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 1.14 4.38 -3.80 -5.58 5.15 -1.26 -4.72 115.26 110.57 3khj n ASN 74 Ca 0.16 -2.30 -0.08 0.00 -0.60 0.00 0.00 54.58 51.76 3khj n ASN 74 Cb 0.54 -1.16 -0.03 0.00 -0.53 0.00 0.00 39.78 38.61 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 1.24 1.76 0.60 1.20 0.23 -1.26 -5.05 119.30 118.02 3khj s MET 75 Ca 0.51 -1.12 -0.15 0.00 -1.03 0.00 0.00 55.69 53.89 3khj s MET 75 Cb 0.24 0.57 -0.03 0.00 -1.53 0.00 0.00 34.83 34.08 3khj s MET 75 CO 0.00 -0.79 1.06 0.16 -2.03 0.00 0.00 175.02 173.42 3khj s ASP 76 N -2.97 5.69 0.23 -1.18 3.84 -1.26 -4.86 116.67 116.16 3khj s ASP 76 Ca 0.15 1.83 -0.08 0.00 -0.00 0.00 0.00 52.55 54.45 3khj s ASP 76 Cb -0.04 -2.53 0.36 0.00 -1.38 0.00 0.00 42.92 39.33 3khj s ASP 76 CO 0.08 -1.23 1.67 0.24 -0.00 0.00 0.00 175.17 175.94 3khj h MET 77 N 0.35 0.18 -0.75 2.11 2.86 -1.99 -1.27 114.93 116.42 3khj h MET 77 Ca -0.47 -0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.16 3khj h MET 77 Cb 1.22 -0.04 -0.04 0.00 0.06 0.00 0.00 31.60 32.80 3khj h MET 77 CO 0.57 0.12 0.46 0.93 1.06 0.00 0.00 176.91 180.05 3khj h GLU 78 N 0.19 1.02 -0.14 1.72 3.07 -1.99 -0.92 114.58 117.52 3khj h GLU 78 Ca 0.36 -0.08 -0.17 0.00 -0.50 0.00 0.00 59.36 58.96 3khj h GLU 78 Cb 0.59 -0.22 -0.00 0.00 -0.84 0.00 0.00 28.75 28.28 3khj h GLU 78 CO -0.51 0.70 -0.63 0.77 -1.40 0.00 0.00 179.01 177.95 3khj h SER 79 N 1.04 0.59 0.05 1.42 0.02 -1.65 -2.53 113.55 112.49 3khj h SER 79 Ca 0.27 -0.34 -0.18 0.00 -0.84 0.00 0.00 61.79 60.70 3khj h SER 79 Cb -0.06 -0.17 -0.00 0.00 0.14 0.00 0.00 62.40 62.31 3khj h SER 79 CO -0.05 1.07 -0.64 -0.61 -1.14 0.00 0.00 176.83 175.45 3khj h GLN 80 N 0.38 0.56 -0.43 3.45 4.15 -0.85 -2.33 115.11 120.05 3khj h GLN 80 Ca -0.01 -0.40 -0.03 0.00 0.77 0.00 0.00 58.65 58.97 3khj h GLN 80 Cb 1.19 0.07 -0.02 0.00 0.21 0.00 0.00 27.48 28.92 3khj h GLN 80 CO 0.11 1.02 0.14 0.28 -1.93 0.00 0.00 178.83 178.45 3khj h VAL 81 N 0.41 1.22 -0.96 2.39 2.07 -1.21 -2.39 116.25 117.77 3khj h VAL 81 Ca -0.01 -0.72 0.00 0.00 0.82 0.00 0.00 66.70 66.78 3khj h VAL 81 Cb 1.21 0.88 -0.05 0.00 -1.52 0.00 0.00 31.29 31.82 3khj h VAL 81 CO 0.12 0.26 0.61 0.78 0.02 0.00 0.00 177.57 179.36 3khj h ASN 82 N 0.56 1.14 -0.26 0.57 4.21 -1.39 0.36 115.58 120.76 3khj h ASN 82 Ca 0.14 -0.05 -0.07 0.00 1.21 0.00 0.00 56.30 57.52 3khj h ASN 82 Cb 0.26 -0.29 -0.02 0.00 -1.12 0.00 0.00 38.32 37.16 3khj h ASN 82 CO -0.00 0.85 -0.07 -0.33 -1.29 0.00 0.00 177.43 176.58 3khj h GLU 83 N 1.32 0.64 -0.35 0.81 4.39 -1.30 0.07 114.58 120.17 3khj h GLU 83 Ca 0.35 -0.18 -0.11 0.00 0.34 0.00 0.00 59.36 59.75 3khj h GLU 83 Cb -0.10 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.47 3khj h GLU 83 CO -0.07 0.71 -0.23 0.28 -1.16 0.00 0.00 179.01 178.54 3khj h VAL 84 N 0.60 1.29 0.00 3.13 2.07 -0.98 -3.05 116.25 119.31 3khj h VAL 84 Ca 0.11 -1.38 -0.07 0.00 0.82 0.00 0.00 66.70 66.19 3khj h VAL 84 Cb 0.49 1.42 -0.01 0.00 -1.52 0.00 0.00 31.29 31.67 3khj h VAL 84 CO 0.03 0.45 -0.31 -0.07 0.02 0.00 0.00 177.57 177.69 3khj h LEU 85 N 0.55 0.00 -0.67 2.57 3.38 -0.55 -2.10 115.31 118.48 3khj h LEU 85 Ca 0.07 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.92 3khj h LEU 85 Cb 0.79 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.52 3khj h LEU 85 CO 0.06 0.31 -0.56 0.11 0.09 0.00 0.00 178.44 178.45 3khj h LYS 86 N 0.00 0.00 0.04 1.13 1.57 -0.97 -1.15 116.57 117.18 3khj h LYS 86 Ca -0.00 0.00 -0.27 0.00 -1.87 0.00 0.00 60.65 58.51 3khj h LYS 86 Cb 0.57 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.90 3khj h LYS 86 CO 0.04 0.56 -1.09 0.28 -0.57 0.00 0.00 179.45 178.67 3khj h VAL 87 N 0.00 1.30 0.00 0.50 2.07 -1.37 -3.15 116.25 115.60 3khj h VAL 87 Ca -0.01 -2.35 0.00 0.00 0.82 0.00 0.00 66.70 65.17 3khj h VAL 87 Cb 1.13 2.48 0.00 0.00 -1.52 0.00 0.00 31.29 33.38 3khj h VAL 87 CO 0.07 0.72 0.00 0.29 0.02 0.00 0.00 177.57 178.67 3khj n LYS 88 N -3.82 0.06 0.19 1.57 4.76 -0.82 -3.13 118.16 116.99 3khj n LYS 88 Ca -0.11 0.20 0.07 0.00 -2.87 0.00 0.00 58.31 55.60 3khj n LYS 88 Cb 0.91 -1.60 0.33 0.00 -1.84 0.00 0.00 35.03 32.83 3khj n LYS 88 CO 0.00 0.00 0.00 -0.97 -1.37 0.00 0.00 177.40 175.06 3khj h ASN 89 N 0.00 0.00 -4.08 4.39 -1.24 -1.16 -3.39 115.58 110.10 3khj h ASN 89 Ca 0.00 0.00 -0.67 0.00 0.71 0.00 0.00 56.30 56.34 3khj h ASN 89 Cb 0.40 0.00 -0.38 0.00 0.73 0.00 0.00 38.32 39.07 3khj h ASN 89 CO 0.00 0.33 -0.45 -0.94 -1.29 0.00 0.00 177.43 175.08 3khj s SER 90 N -6.34 4.93 0.14 1.15 1.04 -1.18 -5.06 113.70 108.38 3khj s SER 90 Ca 0.01 -3.10 0.00 0.00 0.48 0.00 0.00 55.95 53.34 3khj s SER 90 Cb 0.10 -1.76 0.00 0.00 0.10 0.00 0.00 66.02 64.46 3khj s SER 90 CO 0.68 -0.27 0.00 0.61 0.98 0.00 0.00 173.24 175.23 3khj n GLY 91 N 3.09 -1.58 2.42 7.32 0.00 -1.26 -4.37 105.19 110.80 3khj n GLY 91 Ca 0.09 -1.38 -0.40 0.00 0.00 0.00 0.00 46.02 44.33 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 -2.37 4.50 3.81 -0.02 0.00 -1.26 -4.70 105.19 105.15 3khj n GLY 92 Ca 0.00 -1.65 -0.38 0.00 0.00 0.00 0.00 46.02 43.99 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 -0.09 4.50 0.08 0.99 1.43 -1.26 -5.07 118.68 119.26 3khj s LEU 135 Ca 0.63 1.24 -0.19 0.00 -1.03 0.00 0.00 54.13 54.78 3khj s LEU 135 Cb 0.17 -2.94 -0.07 0.00 0.03 0.00 0.00 46.19 43.39 3khj s LEU 135 CO -0.07 0.25 0.56 -0.13 0.23 0.00 0.00 176.35 177.20 3khj s ARG 136 N -1.22 4.17 0.06 1.70 0.52 -1.26 -4.68 118.95 118.24 3khj s ARG 136 Ca 0.30 0.71 0.02 0.00 -0.52 0.00 0.00 55.73 56.24 3khj s ARG 136 Cb -0.19 -3.21 -0.03 0.00 0.52 0.00 0.00 34.95 32.04 3khj s ARG 136 CO 0.19 0.63 -0.07 0.14 0.02 0.00 0.00 175.30 176.20 3khj s VAL 137 N -1.14 0.56 0.34 3.52 -7.23 -1.26 -4.45 120.40 110.74 3khj s VAL 137 Ca 0.30 -1.32 0.09 0.00 -1.81 0.00 0.00 61.98 59.24 3khj s VAL 137 Cb -0.19 -0.90 -0.05 0.00 0.56 0.00 0.00 36.38 35.80 3khj s VAL 137 CO 0.19 -0.53 0.07 -0.83 -0.31 0.00 0.00 175.10 173.68 3khj s GLY 138 N -1.99 2.00 -0.03 2.32 0.00 -0.48 -1.26 107.32 107.87 3khj s GLY 138 Ca -0.04 -1.89 -0.03 0.00 0.00 0.00 0.00 44.72 42.76 3khj s GLY 138 CO -0.01 -1.83 0.09 0.00 0.00 0.00 0.00 173.10 171.35 3khj s ALA 139 N -2.47 -0.22 0.09 3.20 0.00 -0.82 -1.46 121.76 120.07 3khj s ALA 139 Ca 0.36 0.27 -0.13 0.00 0.00 0.00 0.00 51.96 52.46 3khj s ALA 139 Cb -0.01 -0.16 -0.06 0.00 0.00 0.00 0.00 23.12 22.89 3khj s ALA 139 CO 0.21 -0.05 0.46 0.00 0.00 0.00 0.00 175.76 176.38 3khj s ALA 140 N 0.08 3.66 0.10 0.00 0.00 -0.47 -0.15 121.76 124.98 3khj s ALA 140 Ca -0.00 -0.24 0.03 0.00 0.00 0.00 0.00 51.96 51.74 3khj s ALA 140 Cb -0.01 -2.40 -0.04 0.00 0.00 0.00 0.00 23.12 20.68 3khj s ALA 140 CO -0.00 0.50 -0.09 0.96 0.00 0.00 0.00 175.76 177.14 3khj s ILE 141 N -1.35 0.84 0.04 0.00 -4.36 -0.43 -4.36 121.20 111.58 3khj s ILE 141 Ca 0.33 -1.73 0.00 0.00 -0.26 0.00 0.00 60.65 58.99 3khj s ILE 141 Cb -0.15 -1.44 0.01 0.00 1.25 0.00 0.00 42.46 42.12 3khj s ILE 141 CO 0.18 -0.67 0.05 0.61 0.24 0.00 0.00 174.94 175.35 3khj n GLY 142 N 0.37 0.84 3.77 6.27 0.00 -1.26 -1.64 105.19 113.53 3khj n GLY 142 Ca -0.15 -1.97 -0.40 0.00 0.00 0.00 0.00 46.02 43.50 3khj n GLY 142 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3khj s VAL 143 N 0.12 2.85 -1.67 1.61 -7.23 -1.26 -3.47 120.40 111.35 3khj s VAL 143 Ca 0.03 0.82 0.00 0.00 -1.81 0.00 0.00 61.98 61.03 3khj s VAL 143 Cb -0.00 -3.51 0.00 0.00 0.56 0.00 0.00 36.38 33.43 3khj s VAL 143 CO 0.02 0.17 0.00 0.59 -0.31 0.00 0.00 175.10 175.57 3khj n ASN 144 N 0.66 -4.82 -3.86 4.85 3.02 -1.26 -4.90 115.26 108.94 3khj n ASN 144 Ca 0.01 0.26 -0.42 0.00 -0.03 0.00 0.00 54.58 54.39 3khj n ASN 144 Cb 0.43 -4.19 0.01 0.00 -0.61 0.00 0.00 39.78 35.42 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 -2.52 4.64 0.08 3.52 1.02 -1.23 -4.76 120.64 121.39 3khj n GLU 145 Ca -0.19 -4.39 -0.09 0.00 -0.02 0.00 0.00 57.16 52.47 3khj n GLU 145 Cb 0.61 -2.56 -0.01 0.00 -0.02 0.00 0.00 31.44 29.46 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 3.11 1.49 -0.38 -3.67 1.08 -1.90 -2.39 117.51 114.84 3khj h ILE 146 Ca 0.34 -2.62 -0.14 0.00 -0.39 0.00 0.00 64.86 62.05 3khj h ILE 146 Cb 0.52 2.47 -0.01 0.00 -3.07 0.00 0.00 36.82 36.73 3khj h ILE 146 CO 1.34 0.76 -0.30 -0.08 -0.69 0.00 0.00 178.15 179.19 3khj h GLU 147 N 0.11 0.88 -0.62 2.37 4.57 -1.99 0.45 114.58 120.35 3khj h GLU 147 Ca -0.05 -0.43 -0.05 0.00 -1.18 0.00 0.00 59.36 57.65 3khj h GLU 147 Cb 1.51 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 30.08 3khj h GLU 147 CO 0.14 1.08 0.20 -0.09 -1.18 0.00 0.00 179.01 179.16 3khj h ARG 148 N 0.69 0.95 -0.26 1.92 2.43 -1.96 -1.93 114.38 116.23 3khj h ARG 148 Ca 0.07 -0.20 0.00 0.00 -0.81 0.00 0.00 59.98 59.04 3khj h ARG 148 Cb 0.88 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 30.28 3khj h ARG 148 CO 0.08 0.84 0.16 0.00 -1.51 0.00 0.00 179.97 179.54 3khj h ALA 149 N 1.07 0.32 -0.51 2.80 0.00 -1.21 -1.84 119.26 119.90 3khj h ALA 149 Ca 0.20 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.10 3khj h ALA 149 Cb 0.28 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 3khj h ALA 149 CO -0.01 -0.18 0.29 0.87 0.00 0.00 0.00 179.25 180.22 3khj h LYS 150 N 0.33 0.57 -0.31 0.00 1.57 -0.80 -2.01 116.57 115.92 3khj h LYS 150 Ca 0.09 -0.03 -0.11 0.00 -1.87 0.00 0.00 60.65 58.73 3khj h LYS 150 Cb -0.00 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.16 3khj h LYS 150 CO -0.02 0.38 -0.26 -0.07 -0.57 0.00 0.00 179.45 178.91 3khj h LEU 151 N 0.58 0.63 -0.11 2.94 3.38 -1.19 -2.15 115.31 119.39 3khj h LEU 151 Ca 0.21 -0.23 -0.24 0.00 0.09 0.00 0.00 57.88 57.71 3khj h LEU 151 Cb 0.04 -0.17 0.01 0.00 0.09 0.00 0.00 40.66 40.63 3khj h LEU 151 CO -0.10 0.87 -0.86 -0.07 0.09 0.00 0.00 178.44 178.36 3khj h LEU 152 N 0.54 0.94 -0.73 1.67 3.38 -1.22 -0.62 115.31 119.26 3khj h LEU 152 Ca 0.07 -0.66 0.02 0.00 0.09 0.00 0.00 57.88 57.41 3khj h LEU 152 Cb 0.73 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 41.16 3khj h LEU 152 CO 0.06 1.46 0.47 0.58 0.09 0.00 0.00 178.44 181.09 3khj h VAL 153 N 0.50 1.13 0.00 1.22 2.07 -1.32 -2.02 116.25 117.83 3khj h VAL 153 Ca -0.08 -0.32 -0.03 0.00 0.82 0.00 0.00 66.70 67.09 3khj h VAL 153 Cb 1.50 0.12 -0.00 0.00 -1.52 0.00 0.00 31.29 31.39 3khj h VAL 153 CO 0.17 0.17 -0.15 -0.33 0.02 0.00 0.00 177.57 177.45 3khj h GLU 154 N 0.93 0.00 0.00 1.57 5.08 -1.34 -1.59 114.58 119.23 3khj h GLU 154 Ca 0.28 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.64 3khj h GLU 154 Cb -0.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.22 3khj h GLU 154 CO -0.09 0.15 0.00 0.00 -1.00 0.00 0.00 179.01 178.07 3khj n ALA 155 N -2.16 2.58 -2.51 3.43 0.00 -0.25 -4.90 120.51 116.69 3khj n ALA 155 Ca 0.01 -0.17 -0.02 0.00 0.00 0.00 0.00 53.44 53.26 3khj n ALA 155 Cb 0.46 -1.43 0.01 0.00 0.00 0.00 0.00 19.45 18.48 3khj n ALA 155 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3khj n GLY 156 N 0.80 0.70 3.81 0.00 0.00 -0.60 -4.64 105.19 105.25 3khj n GLY 156 Ca 0.20 -0.54 -0.33 0.00 0.00 0.00 0.00 46.02 45.34 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 -3.04 4.05 -0.11 1.61 0.11 -0.84 -4.91 120.40 117.28 3khj s VAL 157 Ca 0.05 1.19 -0.07 0.00 -2.93 0.00 0.00 61.98 60.23 3khj s VAL 157 Cb -0.02 -3.52 -0.27 0.00 -1.53 0.00 0.00 36.38 31.04 3khj s VAL 157 CO 0.08 -0.36 0.42 0.44 -3.33 0.00 0.00 175.10 172.35 3khj h ASP 158 N 1.41 0.43 -4.76 3.54 5.19 -1.53 -3.46 116.42 117.24 3khj h ASP 158 Ca -0.49 -0.92 -0.26 0.00 -0.62 0.00 0.00 57.03 54.74 3khj h ASP 158 Cb 1.20 -0.14 -0.21 0.00 0.18 0.00 0.00 39.33 40.37 3khj h ASP 158 CO 0.60 1.82 -0.73 0.68 -3.12 0.00 0.00 179.24 178.49 3khj s VAL 159 N -2.56 0.54 -0.15 -1.35 -7.23 -1.15 -4.29 120.40 104.20 3khj s VAL 159 Ca -0.21 -1.15 -0.01 0.00 -1.81 0.00 0.00 61.98 58.80 3khj s VAL 159 Cb 0.06 -0.70 -0.01 0.00 0.56 0.00 0.00 36.38 36.29 3khj s VAL 159 CO 0.78 -0.43 -0.11 -0.63 -0.31 0.00 0.00 175.10 174.41 3khj s ILE 160 N -1.60 3.18 -0.51 -0.62 1.01 -0.66 -1.94 121.20 120.06 3khj s ILE 160 Ca -0.08 -0.60 -0.16 0.00 0.00 0.00 0.00 60.65 59.80 3khj s ILE 160 Cb -0.09 -2.36 0.10 0.00 0.01 0.00 0.00 42.46 40.12 3khj s ILE 160 CO -0.00 0.50 0.48 -0.69 0.00 0.00 0.00 174.94 175.23 3khj s VAL 161 N 0.59 5.17 -0.60 2.92 1.01 0.79 -1.20 120.40 129.08 3khj s VAL 161 Ca -0.06 -1.22 -0.27 0.00 0.00 0.00 0.00 61.98 60.42 3khj s VAL 161 Cb -0.15 -4.26 0.01 0.00 0.00 0.00 0.00 36.38 31.97 3khj s VAL 161 CO 0.03 -0.77 1.51 -0.22 0.00 0.00 0.00 175.10 175.65 3khj s LEU 162 N 1.77 3.33 -0.17 3.92 2.96 0.22 -1.32 118.68 129.38 3khj s LEU 162 Ca 0.05 0.18 -0.04 0.00 -0.22 0.00 0.00 54.13 54.10 3khj s LEU 162 Cb -0.27 -2.84 -0.02 0.00 0.50 0.00 0.00 46.19 43.56 3khj s LEU 162 CO 0.05 -1.90 -0.04 -0.62 -1.32 0.00 0.00 176.35 172.52 3khj s ASP 163 N 5.23 4.69 0.01 3.68 2.15 -0.65 -1.87 116.67 129.92 3khj s ASP 163 Ca 0.53 -0.18 -0.04 0.00 0.43 0.00 0.00 52.55 53.29 3khj s ASP 163 Cb -0.11 -1.77 -0.01 0.00 -0.30 0.00 0.00 42.92 40.73 3khj s ASP 163 CO 0.22 0.14 0.06 -0.55 -0.17 0.00 0.00 175.17 174.87 3khj s SER 164 N 0.56 0.14 0.20 -0.34 0.15 -0.40 -4.58 113.70 109.42 3khj s SER 164 Ca -0.03 -0.37 -0.10 0.00 0.70 0.00 0.00 55.95 56.14 3khj s SER 164 Cb -0.14 0.16 0.13 0.00 -1.71 0.00 0.00 66.02 64.46 3khj s SER 164 CO 0.03 -0.36 1.82 0.00 1.20 0.00 0.00 173.24 175.93 3khj h ALA 165 N 4.34 0.92 -3.59 5.45 0.00 -1.90 -0.56 119.26 123.92 3khj h ALA 165 Ca -0.32 -0.11 -0.65 0.00 0.00 0.00 0.00 54.91 53.83 3khj h ALA 165 Cb 1.20 -0.29 -0.40 0.00 0.00 0.00 0.00 17.79 18.30 3khj h ALA 165 CO 0.42 0.42 -0.69 -1.58 0.00 0.00 0.00 179.25 177.82 3khj s HIS 166 N -5.87 3.55 0.23 0.00 5.65 -1.26 -4.57 115.29 113.01 3khj s HIS 166 Ca -0.13 -3.03 0.18 0.00 0.25 0.00 0.00 55.06 52.33 3khj s HIS 166 Cb 0.14 -2.87 0.71 0.00 -1.18 0.00 0.00 32.58 29.38 3khj s HIS 166 CO 0.79 -0.89 1.76 0.78 -0.65 0.00 0.00 174.74 176.53 3khj h GLY 167 N 7.29 0.00 -6.76 1.59 0.00 -1.31 -3.36 103.07 100.52 3khj h GLY 167 Ca -0.05 0.00 -0.74 0.00 0.00 0.00 0.00 47.33 46.53 3khj h GLY 167 CO 0.57 0.00 2.02 1.57 0.00 0.00 0.00 176.54 180.70 3khj n HIS 168 N -3.64 3.58 -4.15 5.60 -0.00 -1.26 -4.74 115.22 110.60 3khj n HIS 168 Ca -0.01 -2.95 -0.10 0.00 0.46 0.00 0.00 57.72 55.13 3khj n HIS 168 Cb 0.49 -2.12 -0.10 0.00 -0.12 0.00 0.00 29.99 28.14 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 1.80 0.89 0.16 0.26 1.04 -1.26 -5.06 113.70 111.52 3khj s SER 169 Ca 0.42 -1.04 -0.14 0.00 0.48 0.00 0.00 55.95 55.67 3khj s SER 169 Cb 0.07 0.15 0.04 0.00 0.10 0.00 0.00 66.02 66.38 3khj s SER 169 CO -0.00 -0.54 1.73 0.25 0.98 0.00 0.00 173.24 175.66 3khj h LEU 170 N 2.98 0.67 -0.59 2.42 5.85 -1.95 -2.85 115.31 121.85 3khj h LEU 170 Ca -0.35 -0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.24 3khj h LEU 170 Cb 1.16 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.99 3khj h LEU 170 CO 0.64 0.62 0.38 0.78 -0.34 0.00 0.00 178.44 180.53 3khj h ASN 171 N 0.68 0.68 0.20 1.25 -0.26 -1.97 -2.20 115.58 113.96 3khj h ASN 171 Ca 0.17 -0.03 -0.01 0.00 -0.56 0.00 0.00 56.30 55.88 3khj h ASN 171 Cb 0.13 -0.17 0.00 0.00 -1.06 0.00 0.00 38.32 37.22 3khj h ASN 171 CO -0.02 0.50 -0.10 0.40 -1.06 0.00 0.00 177.43 177.15 3khj h ILE 172 N 0.80 0.79 -0.71 2.81 1.08 -1.85 -1.87 117.51 118.55 3khj h ILE 172 Ca 0.21 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.69 3khj h ILE 172 Cb -0.08 0.79 -0.03 0.00 -3.07 0.00 0.00 36.82 34.42 3khj h ILE 172 CO -0.05 0.00 0.45 0.40 -0.69 0.00 0.00 178.15 178.26 3khj h ILE 173 N -0.28 1.19 -0.39 -0.67 2.04 -1.39 0.23 117.51 118.23 3khj h ILE 173 Ca -0.03 -0.39 -0.08 0.00 1.00 0.00 0.00 64.86 65.37 3khj h ILE 173 Cb 0.22 0.18 -0.02 0.00 -0.74 0.00 0.00 36.82 36.46 3khj h ILE 173 CO 0.04 0.19 -0.07 -0.09 0.00 0.00 0.00 178.15 178.22 3khj h ARG 174 N 0.96 0.66 -0.24 2.37 2.43 -1.38 0.70 114.38 119.88 3khj h ARG 174 Ca 0.26 -0.19 -0.13 0.00 -0.81 0.00 0.00 59.98 59.11 3khj h ARG 174 Cb -0.07 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.39 3khj h ARG 174 CO -0.05 0.73 -0.38 1.15 -1.51 0.00 0.00 179.97 179.90 3khj h THR 175 N 0.61 1.30 0.19 0.20 2.02 -0.65 -2.16 112.91 114.42 3khj h THR 175 Ca 0.11 -1.53 -0.01 0.00 0.77 0.00 0.00 66.41 65.75 3khj h THR 175 Cb 0.49 1.53 0.00 0.00 -1.74 0.00 0.00 68.15 68.43 3khj h THR 175 CO 0.03 0.48 -0.09 0.25 0.37 0.00 0.00 175.52 176.56 3khj h LEU 176 N 0.46 -0.22 -0.85 2.58 6.46 0.04 -2.73 115.31 121.06 3khj h LEU 176 Ca 0.04 -0.11 0.03 0.00 -0.12 0.00 0.00 57.88 57.72 3khj h LEU 176 Cb 0.87 0.06 -0.05 0.00 -0.73 0.00 0.00 40.66 40.81 3khj h LEU 176 CO 0.07 -0.02 0.55 0.11 -0.62 0.00 0.00 178.44 178.53 3khj h LYS 177 N -0.41 1.04 0.12 1.25 1.57 -0.88 -1.23 116.57 118.04 3khj h LYS 177 Ca -0.03 -0.06 0.02 0.00 -1.87 0.00 0.00 60.65 58.71 3khj h LYS 177 Cb 0.32 -0.24 -0.03 0.00 0.08 0.00 0.00 32.23 32.36 3khj h LYS 177 CO 0.04 0.69 -0.23 0.93 -0.57 0.00 0.00 179.45 180.31 3khj h GLU 178 N 1.08 -0.41 -0.53 3.15 5.08 -1.36 -1.57 114.58 120.01 3khj h GLU 178 Ca 0.33 0.03 -0.10 0.00 -1.00 0.00 0.00 59.36 58.62 3khj h GLU 178 Cb -0.02 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.30 3khj h GLU 178 CO -0.11 -0.28 -0.06 0.82 -1.00 0.00 0.00 179.01 178.39 3khj h ILE 179 N -0.43 1.26 -0.04 3.13 2.04 -1.23 -2.39 117.51 119.85 3khj h ILE 179 Ca 0.03 -1.17 -0.13 0.00 1.00 0.00 0.00 64.86 64.59 3khj h ILE 179 Cb 0.45 0.91 -0.01 0.00 -0.74 0.00 0.00 36.82 37.43 3khj h ILE 179 CO -0.13 0.41 -0.58 0.11 0.00 0.00 0.00 178.15 177.97 3khj h LYS 180 N 0.86 0.12 0.00 2.37 1.79 -1.17 0.17 116.57 120.71 3khj h LYS 180 Ca 0.15 -0.08 -0.15 0.00 -2.18 0.00 0.00 60.65 58.39 3khj h LYS 180 Cb 0.58 0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 31.22 3khj h LYS 180 CO 0.04 0.66 -0.72 0.66 -1.08 0.00 0.00 179.45 179.01 3khj h SER 181 N 0.09 0.00 0.00 0.86 4.64 -1.20 -3.39 113.55 114.55 3khj h SER 181 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3khj h SER 181 Cb 1.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.13 3khj h SER 181 CO 0.08 0.72 -0.72 0.29 -0.87 0.00 0.00 176.83 176.33 3khj n LYS 182 N -3.32 2.73 -4.56 4.77 5.02 -0.91 -5.01 118.16 116.88 3khj n LYS 182 Ca 0.01 -0.02 -0.21 0.00 -2.02 0.00 0.00 58.31 56.07 3khj n LYS 182 Cb 0.81 -0.91 -0.15 0.00 -0.02 0.00 0.00 35.03 34.76 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 -1.87 1.03 -0.63 1.97 -1.94 0.60 -5.06 119.30 113.41 3khj s MET 183 Ca -0.00 -0.44 -0.22 0.00 -1.71 0.00 0.00 55.69 53.32 3khj s MET 183 Cb 0.03 -0.99 0.07 0.00 2.01 0.00 0.00 34.83 35.94 3khj s MET 183 CO 0.17 0.25 0.92 1.21 -0.01 0.00 0.00 175.02 177.57 3khj s ASN 184 N -0.24 6.20 -0.27 3.03 2.47 -1.26 -4.51 114.94 120.36 3khj s ASN 184 Ca 0.04 -0.91 -0.25 0.00 0.42 0.00 0.00 52.86 52.15 3khj s ASN 184 Cb -0.05 -2.41 0.13 0.00 -1.45 0.00 0.00 41.25 37.47 3khj s ASN 184 CO -0.00 -1.35 1.07 -0.51 -3.72 0.00 0.00 177.10 172.59 3khj s ILE 185 N 3.86 0.00 0.10 -5.21 1.10 -1.26 -5.10 121.20 114.68 3khj s ILE 185 Ca 0.22 0.00 -0.30 0.00 -0.51 0.00 0.00 60.65 60.06 3khj s ILE 185 Cb -0.17 -1.00 -0.06 0.00 0.15 0.00 0.00 42.46 41.38 3khj s ILE 185 CO 0.11 0.00 1.16 -1.81 -2.11 0.00 0.00 174.94 172.29 3khj s ASP 186 N 0.08 7.15 -0.18 4.50 1.01 -1.26 -4.96 116.67 123.01 3khj s ASP 186 Ca 0.03 2.03 0.01 0.00 0.71 0.00 0.00 52.55 55.33 3khj s ASP 186 Cb -0.05 -2.59 0.03 0.00 1.01 0.00 0.00 42.92 41.32 3khj s ASP 186 CO -0.07 -0.38 -0.16 -0.69 0.21 0.00 0.00 175.17 174.08 3khj s VAL 187 N 0.63 1.84 -0.10 -1.27 1.01 -1.26 -1.66 120.40 119.60 3khj s VAL 187 Ca 0.55 -0.88 -0.22 0.00 0.00 0.00 0.00 61.98 61.43 3khj s VAL 187 Cb -0.29 -1.73 -0.04 0.00 0.00 0.00 0.00 36.38 34.32 3khj s VAL 187 CO 0.31 0.43 0.66 -0.63 0.00 0.00 0.00 175.10 175.87 3khj s ILE 188 N 1.36 5.06 -0.07 2.22 1.01 -0.34 -1.55 121.20 128.88 3khj s ILE 188 Ca 0.03 1.33 0.04 0.00 0.00 0.00 0.00 60.65 62.05 3khj s ILE 188 Cb -0.14 -3.99 -0.02 0.00 0.01 0.00 0.00 42.46 38.33 3khj s ILE 188 CO -0.11 0.24 -0.19 -0.69 0.00 0.00 0.00 174.94 174.19 3khj s VAL 189 N 0.95 2.63 0.38 2.92 1.01 -0.16 -0.61 120.40 127.52 3khj s VAL 189 Ca 0.34 -0.85 -0.12 0.00 0.00 0.00 0.00 61.98 61.35 3khj s VAL 189 Cb -0.17 -2.02 0.04 0.00 0.00 0.00 0.00 36.38 34.23 3khj s VAL 189 CO 0.15 0.57 0.71 -0.83 0.00 0.00 0.00 175.10 175.70 3khj s GLY 190 N -0.21 0.66 -0.06 4.51 0.00 -0.78 -0.31 107.32 111.13 3khj s GLY 190 Ca -0.01 -0.95 0.01 0.00 0.00 0.00 0.00 44.72 43.77 3khj s GLY 190 CO 0.03 -0.48 -0.05 -1.31 0.00 0.00 0.00 173.10 171.29 3khj s ASN 191 N -3.11 4.81 0.19 1.64 0.02 -0.22 -1.28 114.94 116.99 3khj s ASN 191 Ca 0.19 -0.00 0.05 0.00 -1.02 0.00 0.00 52.86 52.08 3khj s ASN 191 Cb -0.04 -1.24 -0.05 0.00 0.02 0.00 0.00 41.25 39.95 3khj s ASN 191 CO 0.14 0.35 -0.07 0.68 0.02 0.00 0.00 177.10 178.21 3khj s VAL 192 N -0.88 1.25 0.00 1.60 -7.23 -0.82 -1.20 120.40 113.12 3khj s VAL 192 Ca 0.14 -2.08 0.00 0.00 -1.81 0.00 0.00 61.98 58.23 3khj s VAL 192 Cb -0.11 -2.08 0.00 0.00 0.56 0.00 0.00 36.38 34.75 3khj s VAL 192 CO 0.03 -0.56 0.05 1.33 -0.31 0.00 0.00 175.10 175.65 3khj n VAL 193 N -0.33 0.00 -4.40 1.32 0.24 -1.26 -2.13 118.33 111.77 3khj n VAL 193 Ca -0.08 -0.05 -0.25 0.00 -2.04 0.00 0.00 64.34 61.92 3khj n VAL 193 Cb 0.62 1.83 -0.10 0.00 -1.47 0.00 0.00 33.84 34.71 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 -0.01 2.69 0.24 3.34 -4.23 -1.26 -4.68 115.64 111.73 3khj s THR 194 Ca 0.00 -2.11 0.11 0.00 -1.18 0.00 0.00 61.69 58.51 3khj s THR 194 Cb 0.00 -2.37 -0.02 0.00 1.34 0.00 0.00 72.50 71.45 3khj s THR 194 CO 0.00 -0.27 1.60 1.05 -0.54 0.00 0.00 174.62 176.46 3khj h GLU 195 N 2.59 0.00 -0.51 3.99 9.09 -1.94 -2.85 114.58 124.96 3khj h GLU 195 Ca -0.43 0.00 -0.11 0.00 0.05 0.00 0.00 59.36 58.87 3khj h GLU 195 Cb 1.23 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 28.32 3khj h GLU 195 CO 0.56 0.61 -0.11 0.93 0.05 0.00 0.00 179.01 181.05 3khj h GLU 196 N 0.00 0.95 0.02 1.06 3.07 -1.96 -2.63 114.58 115.09 3khj h GLU 196 Ca -0.01 -0.34 -0.00 0.00 -0.50 0.00 0.00 59.36 58.52 3khj h GLU 196 Cb 1.12 -0.07 0.00 0.00 -0.84 0.00 0.00 28.75 28.96 3khj h GLU 196 CO 0.08 1.00 -0.01 0.00 -1.40 0.00 0.00 179.01 178.68 3khj h ALA 197 N 1.02 -0.02 -0.50 3.43 0.00 -1.96 -2.60 119.26 118.63 3khj h ALA 197 Ca 0.14 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3khj h ALA 197 Cb 0.65 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 3khj h ALA 197 CO 0.04 -0.39 0.32 1.79 0.00 0.00 0.00 179.25 181.02 3khj h THR 198 N -0.28 1.14 -0.55 0.00 1.35 -1.53 -1.19 112.91 111.86 3khj h THR 198 Ca -0.00 -0.28 0.01 0.00 -0.55 0.00 0.00 66.41 65.59 3khj h THR 198 Cb 0.27 0.43 -0.03 0.00 -1.73 0.00 0.00 68.15 67.09 3khj h THR 198 CO 0.00 0.14 0.36 0.50 -0.25 0.00 0.00 175.52 176.27 3khj h LYS 199 N 0.67 0.70 -0.20 4.72 3.64 -1.50 -0.74 116.57 123.86 3khj h LYS 199 Ca 0.18 -0.04 -0.12 0.00 -1.27 0.00 0.00 60.65 59.40 3khj h LYS 199 Cb -0.05 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.60 3khj h LYS 199 CO -0.04 0.46 -0.39 1.49 -2.27 0.00 0.00 179.45 178.71 3khj h GLU 200 N 0.72 0.46 -0.16 1.90 4.81 -1.15 -2.01 114.58 119.16 3khj h GLU 200 Ca 0.20 -0.22 -0.10 0.00 -0.13 0.00 0.00 59.36 59.12 3khj h GLU 200 Cb -0.06 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.31 3khj h GLU 200 CO -0.05 0.78 -0.28 -0.07 -0.73 0.00 0.00 179.01 178.65 3khj h LEU 201 N 0.38 0.52 -0.43 1.64 3.38 -1.01 -2.96 115.31 116.83 3khj h LEU 201 Ca 0.04 -0.54 0.04 0.00 0.09 0.00 0.00 57.88 57.51 3khj h LEU 201 Cb 0.85 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.41 3khj h LEU 201 CO 0.07 0.96 0.19 0.40 0.09 0.00 0.00 178.44 180.15 3khj h ILE 202 N 0.09 0.92 0.00 1.22 2.04 -1.08 -1.35 117.51 119.35 3khj h ILE 202 Ca 0.01 -0.13 -0.03 0.00 1.00 0.00 0.00 64.86 65.71 3khj h ILE 202 Cb 0.87 0.51 -0.00 0.00 -0.74 0.00 0.00 36.82 37.45 3khj h ILE 202 CO 0.06 0.07 -0.13 -0.33 0.00 0.00 0.00 178.15 177.82 3khj h GLU 203 N 0.38 0.00 -0.52 2.37 5.08 -1.41 -1.79 114.58 118.69 3khj h GLU 203 Ca 0.19 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 3khj h GLU 203 Cb 0.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.39 3khj h GLU 203 CO -0.16 0.13 0.00 0.09 -1.00 0.00 0.00 179.01 178.07 3khj n ASN 204 N -4.00 2.99 0.00 1.42 3.02 -0.95 -4.93 115.26 112.80 3khj n ASN 204 Ca -0.02 -1.98 0.00 0.00 -0.03 0.00 0.00 54.58 52.55 3khj n ASN 204 Cb 0.22 -0.35 0.00 0.00 -0.61 0.00 0.00 39.78 39.04 3khj n ASN 204 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3khj n GLY 205 N 1.40 1.60 3.68 7.41 0.00 -0.67 -4.42 105.19 114.18 3khj n GLY 205 Ca 0.19 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.00 3.55 -1.03 4.61 0.00 -0.55 -4.79 121.76 121.55 3khj s ALA 206 Ca 0.00 0.55 0.26 0.00 0.00 0.00 0.00 51.96 52.77 3khj s ALA 206 Cb 0.00 -3.55 0.62 0.00 0.00 0.00 0.00 23.12 20.19 3khj s ALA 206 CO 0.00 -0.89 1.49 -0.25 0.00 0.00 0.00 175.76 176.11 3khj n ASP 207 N 5.65 0.45 -3.57 0.00 9.92 -0.60 -4.66 116.55 123.74 3khj n ASP 207 Ca 0.12 -0.17 -0.14 0.00 -0.53 0.00 0.00 54.79 54.07 3khj n ASP 207 Cb 0.46 0.14 -0.06 0.00 -0.64 0.00 0.00 41.12 41.02 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 -2.98 -0.42 -0.17 0.44 0.00 -1.14 -1.98 107.32 101.07 3khj s GLY 208 Ca 0.12 1.84 0.00 0.00 0.00 0.00 0.00 44.72 46.68 3khj s GLY 208 CO 0.67 1.26 -0.16 -0.42 0.00 0.00 0.00 173.10 174.45 3khj s ILE 209 N -0.66 2.50 -0.23 0.90 1.09 -0.83 -0.99 121.20 122.97 3khj s ILE 209 Ca -0.04 -0.81 -0.17 0.00 -1.10 0.00 0.00 60.65 58.53 3khj s ILE 209 Cb -0.02 -2.07 -0.03 0.00 -1.06 0.00 0.00 42.46 39.28 3khj s ILE 209 CO 0.04 0.51 0.46 -0.75 -0.10 0.00 0.00 174.94 175.10 3khj s LYS 210 N 1.12 4.12 -0.18 2.79 2.20 0.58 -0.26 119.74 130.11 3khj s LYS 210 Ca 0.00 0.27 -0.04 0.00 -0.36 0.00 0.00 55.97 55.85 3khj s LYS 210 Cb -0.14 -3.60 -0.02 0.00 -1.51 0.00 0.00 37.83 32.56 3khj s LYS 210 CO -0.06 -0.20 -0.03 0.08 -0.36 0.00 0.00 175.35 174.78 3khj s VAL 211 N 1.81 3.78 0.00 4.02 1.01 0.14 -1.94 120.40 129.22 3khj s VAL 211 Ca 0.20 -0.38 0.00 0.00 0.00 0.00 0.00 61.98 61.80 3khj s VAL 211 Cb -0.15 -2.68 0.00 0.00 0.00 0.00 0.00 36.38 33.55 3khj s VAL 211 CO 0.09 0.47 0.00 0.61 0.00 0.00 0.00 175.10 176.27 3khj n GLY 212 N 3.91 0.86 2.90 4.51 0.00 -0.91 -0.87 105.19 115.60 3khj n GLY 212 Ca -0.17 0.38 -0.30 0.00 0.00 0.00 0.00 46.02 45.92 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 1.38 0.00 -0.61 1.01 -1.26 -4.68 121.20 117.05 3khj s ILE 213 Ca 0.00 -1.21 0.00 0.00 0.00 0.00 0.00 60.65 59.44 3khj s ILE 213 Cb 0.00 -1.74 0.00 0.00 0.01 0.00 0.00 42.46 40.73 3khj s ILE 213 CO 0.00 -0.19 0.00 0.61 0.00 0.00 0.00 174.94 175.36 3khj n GLY 214 N 4.71 3.50 3.91 6.18 0.00 -1.26 -2.57 105.19 119.66 3khj n GLY 214 Ca -0.10 -1.02 -0.29 0.00 0.00 0.00 0.00 46.02 44.62 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 1.60 0.00 1.61 0.04 -1.26 -4.76 135.00 132.23 3khj s PRO 215 Ca 0.00 -0.07 0.00 0.00 0.04 0.00 0.00 61.00 60.97 3khj s PRO 215 Cb 0.00 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.60 3khj s PRO 215 CO 0.00 -1.81 0.00 0.41 0.04 0.00 0.00 177.00 175.64 3khj n GLY 216 N -3.42 2.57 0.35 0.56 0.00 -1.26 -4.51 105.19 99.48 3khj n GLY 216 Ca 0.10 -1.26 0.16 0.00 0.00 0.00 0.00 46.02 45.02 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 0.71 0.28 1.61 4.64 -1.94 -0.28 113.55 118.58 3khj h SER 217 Ca 0.00 0.12 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 3khj h SER 217 Cb 0.00 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 3khj h SER 217 CO 0.00 0.16 -0.24 2.30 -0.87 0.00 0.00 176.83 178.18 3khj n ILE 218 N -4.85 0.00 -2.39 0.95 -0.00 -1.26 -4.92 119.36 106.89 3khj n ILE 218 Ca 0.26 -0.11 -0.41 0.00 -0.00 0.00 0.00 62.75 62.49 3khj n ILE 218 Cb 0.69 0.29 -0.03 0.00 -0.00 0.00 0.00 39.64 40.58 3khj n ILE 218 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 3khj n THR 220 N 2.53 0.92 -0.27 0.00 -2.24 -0.44 -4.85 114.28 109.93 3khj n THR 220 Ca 0.04 -1.10 0.03 0.00 -2.27 0.00 0.00 64.05 60.75 3khj n THR 220 Cb 0.45 0.17 0.16 0.00 -2.10 0.00 0.00 70.33 69.01 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 3.33 0.87 0.00 4.28 2.02 -1.88 0.70 112.91 122.22 3khj h THR 221 Ca 0.00 -0.24 0.00 0.00 0.77 0.00 0.00 66.41 66.94 3khj h THR 221 Cb 1.17 0.11 0.00 0.00 -1.74 0.00 0.00 68.15 67.69 3khj h THR 221 CO 0.00 0.13 0.00 0.08 0.37 0.00 0.00 175.52 176.10 3khj h ARG 222 N 0.69 0.00 0.03 6.66 0.11 -1.85 -0.13 114.38 119.89 3khj h ARG 222 Ca 0.38 0.00 -0.24 0.00 0.10 0.00 0.00 59.98 60.22 3khj h ARG 222 Cb 0.39 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.44 3khj h ARG 222 CO -0.26 0.00 -1.32 0.82 0.10 0.00 0.00 179.97 179.31 3khj h ILE 223 N 0.00 0.92 0.00 0.08 1.08 -1.62 -2.99 117.51 114.98 3khj h ILE 223 Ca 0.00 -2.22 -0.18 0.00 -0.39 0.00 0.00 64.86 62.06 3khj h ILE 223 Cb 0.64 2.35 -0.03 0.00 -3.07 0.00 0.00 36.82 36.71 3khj h ILE 223 CO 0.00 0.43 -0.96 -0.37 -0.69 0.00 0.00 178.15 176.57 3khj h VAL 224 N -0.80 1.29 0.00 1.67 -1.51 -0.92 -3.37 116.25 112.61 3khj h VAL 224 Ca -0.34 -2.89 0.00 0.00 -1.23 0.00 0.00 66.70 62.24 3khj h VAL 224 Cb 1.43 2.62 0.00 0.00 -2.13 0.00 0.00 31.29 33.21 3khj h VAL 224 CO -0.14 0.73 -0.48 0.00 -1.23 0.00 0.00 177.57 176.45 3khj n ALA 225 N -2.34 2.23 -2.14 5.19 0.00 -0.08 -5.01 120.51 118.35 3khj n ALA 225 Ca -0.02 -0.06 -0.14 0.00 0.00 0.00 0.00 53.44 53.22 3khj n ALA 225 Cb 0.88 -0.09 -0.01 0.00 0.00 0.00 0.00 19.45 20.23 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 1.54 0.02 3.35 0.00 0.00 -1.07 -4.98 105.19 104.05 3khj n GLY 226 Ca 0.00 -0.32 -0.32 0.00 0.00 0.00 0.00 46.02 45.38 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 -2.66 2.37 0.00 1.61 1.01 -1.24 -4.96 120.40 116.53 3khj s VAL 227 Ca 0.00 -0.98 0.00 0.00 0.00 0.00 0.00 61.98 61.00 3khj s VAL 227 Cb 0.00 -1.87 0.00 0.00 0.00 0.00 0.00 36.38 34.51 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 2.53 3.35 3.00 4.51 0.00 -1.26 -3.28 105.19 114.03 3khj n GLY 228 Ca -0.17 -0.97 -0.24 0.00 0.00 0.00 0.00 46.02 44.65 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 1.05 0.43 1.61 1.01 -1.06 -5.03 120.40 116.41 3khj s VAL 229 Ca 0.00 -0.42 -0.25 0.00 0.00 0.00 0.00 61.98 61.31 3khj s VAL 229 Cb 0.00 -0.97 -0.10 0.00 0.00 0.00 0.00 36.38 35.31 3khj s VAL 229 CO 0.00 0.34 1.17 -2.65 0.00 0.00 0.00 175.10 173.96 3khj n PRO 230 N 3.88 1.67 -0.33 2.72 -0.02 -1.26 -4.68 135.00 136.97 3khj n PRO 230 Ca -0.23 0.60 -0.02 0.00 -2.02 0.00 0.00 63.50 61.83 3khj n PRO 230 Cb 0.52 -2.26 0.11 0.00 -0.02 0.00 0.00 33.50 31.84 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 1.79 1.15 0.07 -0.52 5.75 -1.92 -1.05 115.11 120.38 3khj h GLN 231 Ca -0.47 -0.07 -0.00 0.00 -0.15 0.00 0.00 58.65 57.96 3khj h GLN 231 Cb 1.31 -0.26 0.00 0.00 1.07 0.00 0.00 27.48 29.61 3khj h GLN 231 CO 0.58 0.76 -0.03 0.82 -2.65 0.00 0.00 178.83 178.31 3khj h ILE 232 N 1.18 1.03 -0.86 2.39 1.08 -1.73 -1.44 117.51 119.15 3khj h ILE 232 Ca 0.35 -0.33 0.02 0.00 -0.39 0.00 0.00 64.86 64.50 3khj h ILE 232 Cb -0.07 1.25 -0.05 0.00 -3.07 0.00 0.00 36.82 34.89 3khj h ILE 232 CO -0.10 0.08 0.56 0.74 -0.69 0.00 0.00 178.15 178.75 3khj h THR 233 N -0.24 1.18 0.05 -0.27 2.02 -1.16 -0.20 112.91 114.29 3khj h THR 233 Ca -0.01 -0.39 0.02 0.00 0.77 0.00 0.00 66.41 66.81 3khj h THR 233 Cb 0.21 -0.04 -0.04 0.00 -1.74 0.00 0.00 68.15 66.54 3khj h THR 233 CO 0.02 0.21 -0.22 0.00 0.37 0.00 0.00 175.52 175.89 3khj h ALA 234 N 1.34 -0.33 -0.13 6.16 0.00 -1.02 -1.60 119.26 123.68 3khj h ALA 234 Ca 0.33 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.22 3khj h ALA 234 Cb -0.07 0.38 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 3khj h ALA 234 CO -0.09 -0.74 0.08 0.82 0.00 0.00 0.00 179.25 179.32 3khj h ILE 235 N -0.38 1.08 -0.46 0.00 2.04 -0.96 -2.31 117.51 116.51 3khj h ILE 235 Ca 0.05 -0.20 0.09 0.00 1.00 0.00 0.00 64.86 65.80 3khj h ILE 235 Cb 0.44 0.97 -0.10 0.00 -0.74 0.00 0.00 36.82 37.39 3khj h ILE 235 CO -0.17 0.07 -0.27 -0.33 0.00 0.00 0.00 178.15 177.45 3khj h GLU 236 N 0.13 -0.16 -0.44 2.37 5.08 -0.83 0.41 114.58 121.13 3khj h GLU 236 Ca 0.05 0.01 -0.08 0.00 -1.00 0.00 0.00 59.36 58.34 3khj h GLU 236 Cb 0.04 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.32 3khj h GLU 236 CO -0.01 -0.11 -0.02 0.87 -1.00 0.00 0.00 179.01 178.74 3khj h LYS 237 N -0.17 0.79 -0.04 2.33 1.57 -1.23 -2.78 116.57 117.04 3khj h LYS 237 Ca 0.21 -0.26 -0.14 0.00 -1.87 0.00 0.00 60.65 58.58 3khj h LYS 237 Cb 0.50 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.73 3khj h LYS 237 CO -0.56 0.87 -0.61 0.00 -0.57 0.00 0.00 179.45 178.58 3khj h SER 239 N 0.09 0.30 0.13 0.00 0.87 -0.12 -1.77 113.55 113.06 3khj h SER 239 Ca -0.01 -0.14 -0.05 0.00 -1.23 0.00 0.00 61.79 60.36 3khj h SER 239 Cb 1.10 -0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.97 3khj h SER 239 CO 0.09 0.73 -0.18 0.77 -0.53 0.00 0.00 176.83 177.71 3khj h SER 240 N 0.23 0.09 0.00 6.23 4.64 -1.47 -1.66 113.55 121.61 3khj h SER 240 Ca 0.01 -0.02 -0.08 0.00 -0.47 0.00 0.00 61.79 61.24 3khj h SER 240 Cb 0.93 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.98 3khj h SER 240 CO 0.08 0.28 -0.45 0.58 -0.87 0.00 0.00 176.83 176.45 3khj h VAL 241 N 0.09 1.21 -0.34 0.95 2.07 -1.63 -3.39 116.25 115.20 3khj h VAL 241 Ca 0.02 -2.07 -0.02 0.00 0.82 0.00 0.00 66.70 65.45 3khj h VAL 241 Cb 0.37 2.44 -0.02 0.00 -1.52 0.00 0.00 31.29 32.57 3khj h VAL 241 CO 0.03 0.41 0.11 0.00 0.02 0.00 0.00 177.57 178.14 3khj h ALA 242 N -0.33 1.57 0.00 1.67 0.00 -1.22 -2.52 119.26 118.43 3khj h ALA 242 Ca -0.12 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.61 3khj h ALA 242 Cb 0.97 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 3khj h ALA 242 CO -0.07 0.33 -0.36 0.66 0.00 0.00 0.00 179.25 179.82 3khj h SER 243 N 0.48 0.00 -0.23 0.00 4.64 -1.50 -1.07 113.55 115.87 3khj h SER 243 Ca 0.12 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.41 3khj h SER 243 Cb 0.13 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.21 3khj h SER 243 CO -0.01 0.36 0.08 0.11 -0.87 0.00 0.00 176.83 176.50 3khj h LYS 244 N 0.00 0.43 -0.10 4.77 1.57 -1.64 -2.86 116.57 118.74 3khj h LYS 244 Ca -0.00 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 3khj h LYS 244 Cb 0.70 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.93 3khj h LYS 244 CO 0.05 0.39 0.00 1.19 -0.57 0.00 0.00 179.45 180.51 3khj n PHE 245 N -4.38 0.10 -2.07 -1.35 3.72 -1.02 -4.97 117.46 107.50 3khj n PHE 245 Ca 0.01 -0.05 -0.15 0.00 -0.05 0.00 0.00 57.45 57.21 3khj n PHE 245 Cb 0.16 -0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.68 3khj n PHE 245 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3khj n GLY 246 N 1.30 0.19 3.58 1.37 0.00 -0.87 -5.00 105.19 105.76 3khj n GLY 246 Ca 0.14 -0.28 -0.38 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.69 5.28 0.50 -0.61 -1.09 -0.46 -4.83 121.20 117.30 3khj s ILE 247 Ca 0.00 0.18 -0.23 0.00 -2.23 0.00 0.00 60.65 58.37 3khj s ILE 247 Cb 0.00 -3.58 -0.06 0.00 -1.58 0.00 0.00 42.46 37.24 3khj s ILE 247 CO 0.00 0.20 1.33 -2.16 -1.23 0.00 0.00 174.94 173.08 3khj s PRO 248 N 1.81 3.43 -0.23 2.79 0.04 -1.26 -4.37 135.00 137.22 3khj s PRO 248 Ca 0.08 2.19 -0.08 0.00 0.04 0.00 0.00 61.00 63.22 3khj s PRO 248 Cb -0.16 -2.41 -0.04 0.00 0.04 0.00 0.00 34.50 31.93 3khj s PRO 248 CO 0.11 -0.94 0.10 0.42 0.04 0.00 0.00 177.00 176.72 3khj s ILE 249 N -1.32 4.77 -0.27 0.56 -1.09 -1.26 -1.97 121.20 120.62 3khj s ILE 249 Ca 0.67 -0.02 -0.15 0.00 -2.23 0.00 0.00 60.65 58.91 3khj s ILE 249 Cb -0.39 -3.21 -0.04 0.00 -1.58 0.00 0.00 42.46 37.25 3khj s ILE 249 CO 0.47 0.37 0.37 -0.63 -1.23 0.00 0.00 174.94 174.30 3khj s ILE 250 N 1.10 5.17 -0.37 2.92 1.09 0.64 -0.33 121.20 131.43 3khj s ILE 250 Ca 0.05 0.54 -0.22 0.00 -1.10 0.00 0.00 60.65 59.92 3khj s ILE 250 Cb -0.14 -3.70 0.01 0.00 -1.06 0.00 0.00 42.46 37.56 3khj s ILE 250 CO 0.04 0.15 0.71 0.00 -0.10 0.00 0.00 174.94 175.74 3khj s ALA 251 N 2.07 3.44 -0.18 9.38 0.00 0.26 0.24 121.76 136.96 3khj s ALA 251 Ca 0.15 -0.77 -0.01 0.00 0.00 0.00 0.00 51.96 51.32 3khj s ALA 251 Cb -0.16 -3.28 -0.00 0.00 0.00 0.00 0.00 23.12 19.68 3khj s ALA 251 CO 0.10 -1.44 -0.12 0.34 0.00 0.00 0.00 175.76 174.64 3khj s ASP 252 N 1.83 3.87 0.00 0.00 2.15 -0.05 -0.29 116.67 124.18 3khj s ASP 252 Ca 0.28 -0.45 0.00 0.00 0.43 0.00 0.00 52.55 52.81 3khj s ASP 252 Cb -0.14 -1.62 0.00 0.00 -0.30 0.00 0.00 42.92 40.86 3khj s ASP 252 CO 0.16 0.04 0.00 0.61 -0.17 0.00 0.00 175.17 175.82 3khj n GLY 253 N 4.34 -2.27 0.00 2.66 0.00 -1.14 -4.38 105.19 104.40 3khj n GLY 253 Ca -0.19 -1.27 0.00 0.00 0.00 0.00 0.00 46.02 44.57 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 -0.76 0.61 3.65 -0.02 0.00 -1.26 -4.36 105.19 103.04 3khj n GLY 254 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.00 4.75 -0.06 -0.61 -1.09 -1.26 -4.82 121.20 116.11 3khj s ILE 255 Ca 0.00 1.75 0.08 0.00 -2.23 0.00 0.00 60.65 60.24 3khj s ILE 255 Cb 0.00 -4.21 -0.11 0.00 -1.58 0.00 0.00 42.46 36.56 3khj s ILE 255 CO 0.00 -0.15 0.07 0.54 -1.23 0.00 0.00 174.94 174.17 3khj n ARG 256 N 6.19 2.09 -4.17 2.79 3.00 -1.26 -4.78 116.66 120.51 3khj n ARG 256 Ca 0.08 -0.02 -0.11 0.00 -0.01 0.00 0.00 57.85 57.80 3khj n ARG 256 Cb 0.47 -1.21 -0.10 0.00 0.00 0.00 0.00 32.46 31.62 3khj n ARG 256 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.63 178.34 3khj s TYR 257 N -2.30 0.92 0.56 -1.55 1.51 -1.26 -5.03 117.35 110.20 3khj s TYR 257 Ca -0.04 -1.08 0.26 0.00 -1.01 0.00 0.00 57.07 55.20 3khj s TYR 257 Cb 0.03 -0.54 1.65 0.00 -0.11 0.00 0.00 41.96 42.99 3khj s TYR 257 CO 0.34 -0.33 2.22 0.66 -1.11 0.00 0.00 175.55 177.32 3khj h SER 258 N 2.88 0.00 0.95 2.29 4.64 -1.92 -1.54 113.55 120.85 3khj h SER 258 Ca -0.35 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 60.95 3khj h SER 258 Cb 1.18 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.27 3khj h SER 258 CO 0.62 0.01 -0.09 1.23 -0.87 0.00 0.00 176.83 177.74 3khj h GLY 259 N 0.04 0.00 1.63 -0.77 0.00 -1.92 -3.08 103.07 98.97 3khj h GLY 259 Ca -0.00 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 47.14 3khj h GLY 259 CO 0.00 0.00 -0.76 -0.55 0.00 0.00 0.00 176.54 175.24 3khj h ASP 260 N 0.00 0.43 -0.30 0.19 3.32 -1.69 -2.69 116.42 115.68 3khj h ASP 260 Ca -0.00 -0.29 0.01 0.00 0.02 0.00 0.00 57.03 56.77 3khj h ASP 260 Cb 0.58 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.99 3khj h ASP 260 CO 0.01 1.03 0.17 0.40 -1.72 0.00 0.00 179.24 179.14 3khj h ILE 261 N 0.24 1.03 -0.79 0.35 2.04 -1.62 -0.38 117.51 118.37 3khj h ILE 261 Ca -0.03 -0.12 0.03 0.00 1.00 0.00 0.00 64.86 65.73 3khj h ILE 261 Cb 1.33 0.65 -0.05 0.00 -0.74 0.00 0.00 36.82 38.02 3khj h ILE 261 CO 0.13 0.06 0.50 1.23 0.00 0.00 0.00 178.15 180.07 3khj h GLY 262 N 0.35 1.14 0.89 5.37 0.00 -1.60 -1.86 103.07 107.36 3khj h GLY 262 Ca 0.12 -0.38 -0.02 0.00 0.00 0.00 0.00 47.33 47.04 3khj h GLY 262 CO -0.05 0.33 0.09 0.50 0.00 0.00 0.00 176.54 177.40 3khj h LYS 263 N 0.99 0.38 -0.12 4.80 1.57 -1.11 0.28 116.57 123.35 3khj h LYS 263 Ca 0.31 -0.08 0.01 0.00 -1.87 0.00 0.00 60.65 59.03 3khj h LYS 263 Cb 0.00 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.24 3khj h LYS 263 CO -0.11 0.44 0.06 0.00 -0.57 0.00 0.00 179.45 179.27 3khj h ALA 264 N 0.92 0.14 -0.34 3.86 0.00 -0.89 -2.48 119.26 120.48 3khj h ALA 264 Ca 0.08 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 3khj h ALA 264 Cb 0.21 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3khj h ALA 264 CO -0.00 -0.39 0.03 -0.07 0.00 0.00 0.00 179.25 178.81 3khj h LEU 265 N 0.13 0.56 -1.75 0.00 3.38 -1.29 -2.79 115.31 113.55 3khj h LEU 265 Ca 0.05 -0.29 0.03 0.00 0.09 0.00 0.00 57.88 57.76 3khj h LEU 265 Cb 0.01 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 3khj h LEU 265 CO -0.04 0.71 0.22 0.00 0.09 0.00 0.00 178.44 179.42 3khj h ALA 266 N 0.87 1.90 0.00 1.53 0.00 -0.84 -2.18 119.26 120.54 3khj h ALA 266 Ca 0.10 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3khj h ALA 266 Cb 0.40 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.10 3khj h ALA 266 CO 0.01 0.06 -0.19 1.55 0.00 0.00 0.00 179.25 180.69 3khj n VAL 267 N -4.49 0.01 0.00 0.00 3.14 -0.94 -4.51 118.33 111.54 3khj n VAL 267 Ca 0.03 -0.01 0.00 0.00 -2.96 0.00 0.00 64.34 61.40 3khj n VAL 267 Cb 0.15 -0.22 0.00 0.00 -1.06 0.00 0.00 33.84 32.71 3khj n VAL 267 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3khj n GLY 268 N 1.50 -0.24 3.84 7.55 0.00 -0.82 -4.46 105.19 112.56 3khj n GLY 268 Ca 0.06 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.16 4.61 0.00 -1.06 -4.66 121.76 123.55 3khj s ALA 269 Ca 0.00 0.19 0.08 0.00 0.00 0.00 0.00 51.96 52.23 3khj s ALA 269 Cb 0.00 -3.12 -0.23 0.00 0.00 0.00 0.00 23.12 19.77 3khj s ALA 269 CO 0.00 -0.21 0.19 0.43 0.00 0.00 0.00 175.76 176.17 3khj n SER 270 N -1.52 1.10 -3.98 0.00 7.64 0.55 -4.47 113.62 112.94 3khj n SER 270 Ca 0.07 0.10 -0.10 0.00 1.01 0.00 0.00 58.87 59.95 3khj n SER 270 Cb 0.54 0.05 -0.07 0.00 -1.01 0.00 0.00 64.21 63.72 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 -6.18 0.01 -0.08 6.43 1.04 -1.06 -4.69 113.70 109.18 3khj s SER 271 Ca -0.17 -0.90 0.03 0.00 0.48 0.00 0.00 55.95 55.39 3khj s SER 271 Cb 0.07 0.46 0.00 0.00 0.10 0.00 0.00 66.02 66.66 3khj s SER 271 CO 0.76 -0.94 -0.19 -0.69 0.98 0.00 0.00 173.24 173.17 3khj s VAL 272 N -3.99 1.63 -0.26 5.02 1.01 -0.29 -0.58 120.40 122.94 3khj s VAL 272 Ca 0.19 -0.78 -0.12 0.00 0.00 0.00 0.00 61.98 61.27 3khj s VAL 272 Cb 0.03 -1.43 -0.05 0.00 0.00 0.00 0.00 36.38 34.93 3khj s VAL 272 CO 0.02 0.46 0.24 -0.32 0.00 0.00 0.00 175.10 175.51 3khj s MET 273 N 0.41 4.02 0.09 2.72 1.75 0.60 -0.38 119.30 128.50 3khj s MET 273 Ca -0.15 -0.18 0.10 0.00 -1.25 0.00 0.00 55.69 54.22 3khj s MET 273 Cb -0.16 -3.62 -0.03 0.00 2.84 0.00 0.00 34.83 33.86 3khj s MET 273 CO 0.06 -0.13 -0.26 0.96 -0.65 0.00 0.00 175.02 175.00 3khj s ILE 274 N 1.60 2.23 0.06 10.11 -4.36 0.12 -2.90 121.20 128.06 3khj s ILE 274 Ca 0.10 -1.56 0.00 0.00 -0.26 0.00 0.00 60.65 58.93 3khj s ILE 274 Cb -0.15 -1.93 0.00 0.00 1.25 0.00 0.00 42.46 41.63 3khj s ILE 274 CO 0.09 0.23 0.00 0.61 0.24 0.00 0.00 174.94 176.11 3khj n GLY 275 N 1.34 -0.06 0.28 6.27 0.00 -1.26 -0.39 105.19 111.37 3khj n GLY 275 Ca -0.17 0.00 -0.03 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 0.00 0.69 0.27 1.61 4.64 -1.96 -1.75 113.55 117.04 3khj h SER 276 Ca 0.00 -0.16 -0.10 0.00 -0.47 0.00 0.00 61.79 61.06 3khj h SER 276 Cb 0.31 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 62.21 3khj h SER 276 CO 0.00 0.76 -0.42 0.40 -0.87 0.00 0.00 176.83 176.70 3khj h ILE 277 N 0.68 1.31 -0.01 0.95 2.04 -1.90 -2.99 117.51 117.58 3khj h ILE 277 Ca 0.14 -1.52 0.00 0.00 1.00 0.00 0.00 64.86 64.47 3khj h ILE 277 Cb 0.42 1.71 0.00 0.00 -0.74 0.00 0.00 36.82 38.21 3khj h ILE 277 CO 0.02 0.45 -0.41 0.18 0.00 0.00 0.00 178.15 178.39 3khj n LEU 278 N -4.02 1.71 -0.24 1.44 4.77 -1.11 -4.52 117.00 115.04 3khj n LEU 278 Ca -0.02 -0.60 -0.06 0.00 -0.03 0.00 0.00 56.01 55.30 3khj n LEU 278 Cb 0.48 -0.04 0.04 0.00 -2.33 0.00 0.00 43.42 41.57 3khj n LEU 278 CO 0.41 0.32 1.09 0.00 -1.33 0.00 0.00 177.39 177.88 3khj h ALA 279 N 3.83 0.85 -0.00 -1.18 0.00 -1.16 -2.88 119.26 118.71 3khj h ALA 279 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3khj h ALA 279 Cb 0.68 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.20 3khj h ALA 279 CO 0.00 0.36 -0.09 0.41 0.00 0.00 0.00 179.25 179.94 3khj n GLY 280 N -1.07 -0.88 3.75 0.00 0.00 -1.26 -4.79 105.19 100.93 3khj n GLY 280 Ca 0.05 -0.27 -0.30 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.39 2.88 0.26 2.61 -4.23 -1.09 -2.27 115.64 111.41 3khj s THR 281 Ca 0.32 0.29 -0.03 0.00 -1.18 0.00 0.00 61.69 61.08 3khj s THR 281 Cb 0.20 -2.87 0.18 0.00 1.34 0.00 0.00 72.50 71.36 3khj s THR 281 CO 0.45 -0.37 1.85 -0.08 -0.54 0.00 0.00 174.62 175.93 3khj h GLU 282 N -1.34 1.01 0.00 3.99 4.57 -1.51 -3.03 114.58 118.28 3khj h GLU 282 Ca -0.48 -0.16 0.00 0.00 -1.18 0.00 0.00 59.36 57.54 3khj h GLU 282 Cb 1.27 -0.18 0.00 0.00 -0.16 0.00 0.00 28.75 29.69 3khj h GLU 282 CO 0.56 0.81 0.00 0.39 -1.18 0.00 0.00 179.01 179.59 3khj n GLU 283 N -4.31 0.11 -2.63 1.92 4.71 -1.26 -4.79 120.64 114.39 3khj n GLU 283 Ca 0.06 0.17 -0.36 0.00 -0.01 0.00 0.00 57.16 57.03 3khj n GLU 283 Cb 0.16 -1.65 -0.05 0.00 -1.01 0.00 0.00 31.44 28.89 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 -3.68 6.88 1.04 1.62 1.04 -1.15 -2.93 113.70 116.53 3khj s SER 284 Ca 0.10 1.94 -0.12 0.00 0.48 0.00 0.00 55.95 58.35 3khj s SER 284 Cb 0.14 -2.58 0.21 0.00 0.10 0.00 0.00 66.02 63.89 3khj s SER 284 CO 0.49 -0.40 1.07 -2.16 0.98 0.00 0.00 173.24 173.21 3khj s PRO 285 N -2.54 0.10 0.00 4.02 0.04 -1.26 -4.92 135.00 130.44 3khj s PRO 285 Ca 0.57 0.88 0.00 0.00 0.04 0.00 0.00 61.00 62.49 3khj s PRO 285 Cb -0.19 -1.67 0.00 0.00 0.04 0.00 0.00 34.50 32.68 3khj s PRO 285 CO 0.24 -3.05 0.00 0.41 0.04 0.00 0.00 177.00 174.64 3khj n GLY 286 N -0.08 0.08 3.89 0.56 0.00 -1.26 -4.83 105.19 103.56 3khj n GLY 286 Ca 0.06 -1.52 -0.29 0.00 0.00 0.00 0.00 46.02 44.27 3khj n GLY 286 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3khj s GLU 287 N -4.38 3.03 0.17 1.61 -1.05 -1.26 -5.00 118.70 111.82 3khj s GLU 287 Ca 0.00 0.40 -0.09 0.00 -0.15 0.00 0.00 54.97 55.12 3khj s GLU 287 Cb 0.00 -2.10 -0.07 0.00 -0.44 0.00 0.00 34.13 31.52 3khj s GLU 287 CO 0.00 -0.84 0.49 0.15 0.95 0.00 0.00 175.26 176.00 3khj s LYS 288 N -5.22 3.79 -0.03 -4.83 1.02 -1.26 -4.65 119.74 108.56 3khj s LYS 288 Ca 0.56 0.22 0.01 0.00 0.02 0.00 0.00 55.97 56.78 3khj s LYS 288 Cb -0.11 -2.79 0.02 0.00 -0.52 0.00 0.00 37.83 34.43 3khj s LYS 288 CO 0.50 0.42 -0.03 -2.00 -0.92 0.00 0.00 175.35 173.32 3khj s GLU 289 N -2.49 0.50 -0.35 1.68 2.12 -0.78 -5.01 118.70 114.37 3khj s GLU 289 Ca 0.42 -0.05 -0.13 0.00 0.36 0.00 0.00 54.97 55.57 3khj s GLU 289 Cb -0.12 -0.57 -0.01 0.00 0.26 0.00 0.00 34.13 33.69 3khj s GLU 289 CO 0.21 -0.05 0.23 -1.17 -0.54 0.00 0.00 175.26 173.94 3khj s LEU 290 N 0.68 4.53 -0.24 2.70 1.98 -1.26 0.50 118.68 127.58 3khj s LEU 290 Ca -0.08 -0.52 0.02 0.00 -2.89 0.00 0.00 54.13 50.67 3khj s LEU 290 Cb -0.11 -2.11 0.05 0.00 0.66 0.00 0.00 46.19 44.67 3khj s LEU 290 CO -0.01 -0.26 -0.13 0.27 -1.89 0.00 0.00 176.35 174.33 3khj s ILE 291 N 1.69 2.16 0.00 6.68 -4.36 -1.17 -5.00 121.20 121.20 3khj s ILE 291 Ca 0.06 -1.42 0.00 0.00 -0.26 0.00 0.00 60.65 59.02 3khj s ILE 291 Cb -0.18 -2.17 0.00 0.00 1.25 0.00 0.00 42.46 41.37 3khj s ILE 291 CO 0.10 0.14 0.00 0.61 0.24 0.00 0.00 174.94 176.02 3khj n GLY 292 N 4.49 2.70 0.14 6.27 0.00 -1.26 -3.78 105.19 113.75 3khj n GLY 292 Ca -0.16 -0.32 -0.21 0.00 0.00 0.00 0.00 46.02 45.33 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 9.05 2.09 -4.81 1.61 5.75 -1.26 -4.98 116.55 124.00 3khj n ASP 293 Ca 0.00 0.16 -0.32 0.00 -0.01 0.00 0.00 54.79 54.63 3khj n ASP 293 Cb 0.00 -0.80 -0.06 0.00 -1.03 0.00 0.00 41.12 39.23 3khj n ASP 293 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 3khj s THR 294 N -2.54 4.80 0.04 2.12 -4.23 -1.25 -5.10 115.64 109.48 3khj s THR 294 Ca -0.25 -0.55 -0.23 0.00 -1.18 0.00 0.00 61.69 59.48 3khj s THR 294 Cb 0.07 -3.27 -0.06 0.00 1.34 0.00 0.00 72.50 70.58 3khj s THR 294 CO 0.73 0.22 0.71 -0.69 -0.54 0.00 0.00 174.62 175.05 3khj s VAL 295 N -1.34 4.75 0.13 2.29 1.01 -1.26 -3.06 120.40 122.92 3khj s VAL 295 Ca 0.28 1.51 0.09 0.00 0.00 0.00 0.00 61.98 63.86 3khj s VAL 295 Cb -0.12 -4.05 -0.04 0.00 0.00 0.00 0.00 36.38 32.16 3khj s VAL 295 CO 0.20 0.40 -0.17 -0.31 0.00 0.00 0.00 175.10 175.22 3khj s TYR 296 N -0.23 2.54 0.05 5.22 2.02 0.18 -0.41 117.35 126.72 3khj s TYR 296 Ca 0.36 -0.26 0.04 0.00 -0.37 0.00 0.00 57.07 56.83 3khj s TYR 296 Cb -0.20 -1.32 -0.02 0.00 -0.40 0.00 0.00 41.96 40.02 3khj s TYR 296 CO 0.21 0.42 -0.11 0.21 -1.57 0.00 0.00 175.55 174.71 3khj s LYS 297 N -2.31 0.72 -0.06 -0.62 2.20 0.18 -1.87 119.74 117.97 3khj s LYS 297 Ca 0.19 -0.80 -0.26 0.00 -0.36 0.00 0.00 55.97 54.75 3khj s LYS 297 Cb -0.10 -0.64 -0.03 0.00 -1.51 0.00 0.00 37.83 35.55 3khj s LYS 297 CO 0.11 0.14 0.79 -0.47 -0.36 0.00 0.00 175.35 175.57 3khj s TYR 298 N -1.16 3.58 -0.12 4.03 5.04 -1.26 -0.06 117.35 127.40 3khj s TYR 298 Ca -0.04 1.38 0.03 0.00 -2.44 0.00 0.00 57.07 56.00 3khj s TYR 298 Cb -0.09 -2.92 0.01 0.00 0.35 0.00 0.00 41.96 39.31 3khj s TYR 298 CO 0.01 0.02 -0.22 -0.47 -1.34 0.00 0.00 175.55 173.56 3khj s TYR 299 N 1.00 2.54 -0.01 4.97 5.04 -0.10 -4.86 117.35 125.93 3khj s TYR 299 Ca 0.42 -1.18 0.00 0.00 -2.44 0.00 0.00 57.07 53.87 3khj s TYR 299 Cb -0.19 -1.72 0.01 0.00 0.35 0.00 0.00 41.96 40.42 3khj s TYR 299 CO 0.20 -0.52 -0.00 0.50 -1.34 0.00 0.00 175.55 174.39 3khj s ARG 300 N 0.65 0.15 0.66 4.97 3.52 -1.26 -2.03 118.95 125.61 3khj s ARG 300 Ca -0.12 0.03 -0.13 0.00 -0.13 0.00 0.00 55.73 55.38 3khj s ARG 300 Cb -0.16 -0.26 -0.00 0.00 -1.56 0.00 0.00 34.95 32.97 3khj s ARG 300 CO 0.02 -0.05 1.07 0.20 -0.81 0.00 0.00 175.30 175.73 3khj s GLY 301 N 0.48 1.93 0.19 8.12 0.00 -1.12 -4.69 107.32 112.23 3khj s GLY 301 Ca -0.04 0.31 0.09 0.00 0.00 0.00 0.00 44.72 45.08 3khj s GLY 301 CO -0.01 0.64 1.43 -0.33 0.00 0.00 0.00 173.10 174.83 3khj h MET 302 N -0.22 0.00 -0.83 2.90 0.00 -1.95 -2.97 114.93 111.87 3khj h MET 302 Ca -0.45 0.00 -0.06 0.00 0.00 0.00 0.00 59.70 59.19 3khj h MET 302 Cb 1.22 0.00 -0.03 0.00 0.00 0.00 0.00 31.60 32.79 3khj h MET 302 CO 0.56 0.81 0.07 0.41 0.00 0.00 0.00 176.91 178.76 3khj n GLY 303 N 0.87 2.48 3.89 8.32 0.00 -1.26 -4.29 105.19 115.20 3khj n GLY 303 Ca -0.00 -0.49 -0.29 0.00 0.00 0.00 0.00 46.02 45.23 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 -0.35 6.33 0.21 1.61 0.15 -1.12 -0.57 113.70 119.96 3khj s SER 304 Ca 0.28 1.09 -0.09 0.00 0.70 0.00 0.00 55.95 57.93 3khj s SER 304 Cb 0.22 -2.32 0.24 0.00 -1.71 0.00 0.00 66.02 62.46 3khj s SER 304 CO 0.08 -0.59 1.80 0.58 1.20 0.00 0.00 173.24 176.31 3khj h VAL 305 N 0.36 0.95 -0.46 4.45 2.07 -1.89 -1.74 116.25 119.99 3khj h VAL 305 Ca -0.46 -0.23 -0.10 0.00 0.82 0.00 0.00 66.70 66.73 3khj h VAL 305 Cb 1.20 0.23 -0.01 0.00 -1.52 0.00 0.00 31.29 31.18 3khj h VAL 305 CO 0.62 0.12 -0.10 1.23 0.02 0.00 0.00 177.57 179.46 3khj h GLY 306 N 0.66 0.95 1.90 2.17 0.00 -1.94 -2.96 103.07 103.85 3khj h GLY 306 Ca 0.30 -0.77 -0.10 0.00 0.00 0.00 0.00 47.33 46.75 3khj h GLY 306 CO -0.19 0.71 -0.45 0.00 0.00 0.00 0.00 176.54 176.61 3khj h ALA 307 N 0.88 1.16 0.00 3.60 0.00 -1.73 -2.97 119.26 120.21 3khj h ALA 307 Ca 0.12 -0.42 -0.09 0.00 0.00 0.00 0.00 54.91 54.51 3khj h ALA 307 Cb 0.64 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 3khj h ALA 307 CO 0.04 0.59 -0.43 0.52 0.00 0.00 0.00 179.25 179.97 3khj h MET 308 N 0.09 0.00 -3.81 0.00 2.86 -1.31 -3.49 114.93 109.28 3khj h MET 308 Ca 0.00 0.00 -0.45 0.00 -2.06 0.00 0.00 59.70 57.19 3khj h MET 308 Cb 0.83 0.00 0.03 0.00 0.06 0.00 0.00 31.60 32.52 3khj h MET 308 CO 0.06 0.43 2.44 1.63 1.06 0.00 0.00 176.91 182.54 3khj n LYS 309 N -3.33 1.80 -0.89 1.72 5.02 -1.12 -5.11 118.16 116.25 3khj n LYS 309 Ca 0.01 -1.54 0.00 0.00 -2.02 0.00 0.00 58.31 54.76 3khj n LYS 309 Cb 0.63 -2.59 0.00 0.00 -0.02 0.00 0.00 35.03 33.06 3khj n LYS 309 CO 0.00 0.00 0.00 -0.12 -0.52 0.00 0.00 177.40 176.76 3khj n MET 326 N 5.17 -2.55 -2.19 1.97 0.00 -1.26 -5.01 117.12 113.25 3khj n MET 326 Ca 0.44 1.90 -0.42 0.00 -0.00 0.00 0.00 57.70 59.62 3khj n MET 326 Cb 0.22 -2.13 -0.03 0.00 0.00 0.00 0.00 33.22 31.28 3khj n MET 326 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51 3khj s VAL 327 N -2.67 3.29 0.15 1.12 0.11 -1.26 -4.96 120.40 116.18 3khj s VAL 327 Ca 0.00 0.97 -0.34 0.00 -2.93 0.00 0.00 61.98 59.67 3khj s VAL 327 Cb 0.00 -3.62 -0.15 0.00 -1.53 0.00 0.00 36.38 31.08 3khj s VAL 327 CO 0.00 0.10 1.49 -2.65 -3.33 0.00 0.00 175.10 170.71 3khj n PRO 328 N 3.50 1.83 -0.10 1.54 -0.02 -1.26 -4.91 135.00 135.58 3khj n PRO 328 Ca 0.10 0.66 0.05 0.00 -2.02 0.00 0.00 63.50 62.29 3khj n PRO 328 Cb 0.43 -2.38 0.07 0.00 -0.02 0.00 0.00 33.50 31.60 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 3.02 1.51 -3.81 -0.52 1.02 0.26 -4.95 120.64 117.18 3khj n GLU 329 Ca 0.17 -1.90 -0.12 0.00 -0.02 0.00 0.00 57.16 55.28 3khj n GLU 329 Cb 0.26 -1.15 -0.10 0.00 -0.02 0.00 0.00 31.44 30.43 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 -1.87 -0.10 0.63 0.62 0.00 -1.05 -1.32 107.32 104.22 3khj s GLY 330 Ca 0.16 0.34 -0.02 0.00 0.00 0.00 0.00 44.72 45.20 3khj s GLY 330 CO 0.02 0.20 0.89 -0.26 0.00 0.00 0.00 173.10 173.94 3khj s ILE 331 N -0.74 2.46 0.00 0.90 -4.36 -0.32 -4.15 121.20 114.99 3khj s ILE 331 Ca -0.08 -0.53 0.01 0.00 -0.26 0.00 0.00 60.65 59.79 3khj s ILE 331 Cb -0.05 -2.93 -0.00 0.00 1.25 0.00 0.00 42.46 40.73 3khj s ILE 331 CO 0.02 0.00 -0.04 -0.70 0.24 0.00 0.00 174.94 174.46 3khj s GLU 332 N -4.98 0.29 -0.10 0.37 2.12 -1.26 -2.78 118.70 112.36 3khj s GLU 332 Ca 0.60 -0.18 -0.33 0.00 0.36 0.00 0.00 54.97 55.42 3khj s GLU 332 Cb -0.10 -0.25 0.15 0.00 0.26 0.00 0.00 34.13 34.19 3khj s GLU 332 CO 0.41 0.07 1.45 0.20 -0.54 0.00 0.00 175.26 176.84 3khj s GLY 333 N -0.24 -0.50 0.13 -1.50 0.00 -0.86 -5.05 107.32 99.30 3khj s GLY 333 Ca -0.00 0.94 -0.15 0.00 0.00 0.00 0.00 44.72 45.51 3khj s GLY 333 CO -0.00 0.50 0.54 0.50 0.00 0.00 0.00 173.10 174.64 3khj s ARG 334 N -2.00 3.99 0.07 2.90 0.52 -1.26 -0.92 118.95 122.25 3khj s ARG 334 Ca 0.16 0.50 0.06 0.00 -0.52 0.00 0.00 55.73 55.93 3khj s ARG 334 Cb 0.08 -2.98 -0.03 0.00 0.52 0.00 0.00 34.95 32.53 3khj s ARG 334 CO -0.07 0.51 -0.15 0.54 0.02 0.00 0.00 175.30 176.15 3khj s VAL 335 N -1.40 1.23 0.54 3.52 0.11 0.92 -4.88 120.40 120.43 3khj s VAL 335 Ca 0.36 -1.29 -0.22 0.00 -2.93 0.00 0.00 61.98 57.90 3khj s VAL 335 Cb -0.16 -1.15 -0.05 0.00 -1.53 0.00 0.00 36.38 33.49 3khj s VAL 335 CO 0.19 -0.15 1.34 -1.59 -3.33 0.00 0.00 175.10 171.56 3khj s LYS 336 N -1.64 3.19 0.18 1.54 0.00 -1.26 0.47 119.74 122.21 3khj s LYS 336 Ca 0.00 2.20 -0.30 0.00 0.00 0.00 0.00 55.97 57.86 3khj s LYS 336 Cb -0.10 -2.27 -0.09 0.00 0.00 0.00 0.00 37.83 35.38 3khj s LYS 336 CO 0.02 -1.14 1.36 -0.47 0.00 0.00 0.00 175.35 175.13 3khj s TYR 337 N -1.32 3.21 -0.95 1.78 5.04 0.45 -4.52 117.35 121.04 3khj s TYR 337 Ca 0.71 1.08 0.10 0.00 -2.44 0.00 0.00 57.07 56.52 3khj s TYR 337 Cb -0.39 -3.67 0.22 0.00 0.35 0.00 0.00 41.96 38.47 3khj s TYR 337 CO 0.47 -2.22 1.12 0.36 -1.34 0.00 0.00 175.55 173.94 3khj n LYS 338 N 3.08 2.21 0.00 4.97 2.85 -0.96 -4.96 118.16 125.35 3khj n LYS 338 Ca 0.08 -1.75 0.00 0.00 -1.05 0.00 0.00 58.31 55.59 3khj n LYS 338 Cb 0.42 -1.23 0.00 0.00 -0.65 0.00 0.00 35.03 33.57 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 0.46 -0.78 3.76 2.58 0.00 -1.26 -4.83 105.19 105.11 3khj n GLY 339 Ca 0.09 -1.24 -0.41 0.00 0.00 0.00 0.00 46.02 44.47 3khj n GLY 339 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3khj s GLU 340 N 0.00 4.53 0.51 1.61 2.02 -1.26 -1.27 118.70 124.84 3khj s GLU 340 Ca 0.00 1.94 0.28 0.00 0.02 0.00 0.00 54.97 57.21 3khj s GLU 340 Cb 0.00 -3.16 1.33 0.00 0.10 0.00 0.00 34.13 32.40 3khj s GLU 340 CO 0.00 0.04 2.01 0.00 0.02 0.00 0.00 175.26 177.32 3khj h MET 341 N 3.96 0.00 -0.10 1.61 -0.00 -1.94 -2.69 114.93 115.77 3khj h MET 341 Ca -0.47 0.00 -0.10 0.00 -0.00 0.00 0.00 59.70 59.14 3khj h MET 341 Cb 1.22 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 32.80 3khj h MET 341 CO 0.68 0.14 -0.37 1.05 -0.00 0.00 0.00 176.91 178.41 3khj h GLU 342 N 0.00 0.20 -0.17 -0.10 -0.00 -1.95 0.16 114.58 112.71 3khj h GLU 342 Ca -0.00 -0.08 -0.12 0.00 -0.00 0.00 0.00 59.36 59.15 3khj h GLU 342 Cb 0.45 -0.01 -0.01 0.00 -0.00 0.00 0.00 28.75 29.19 3khj h GLU 342 CO 0.02 0.55 -0.42 0.78 -0.00 0.00 0.00 179.01 179.93 3khj h GLY 343 N 1.16 0.44 0.40 1.06 0.00 -1.88 -1.95 103.07 102.31 3khj h GLY 343 Ca 0.02 -0.44 -0.00 0.00 0.00 0.00 0.00 47.33 46.91 3khj h GLY 343 CO 0.06 0.40 -0.01 -2.08 0.00 0.00 0.00 176.54 174.90 3khj h VAL 344 N 0.33 1.40 -0.42 4.60 2.07 -1.39 -3.17 116.25 119.68 3khj h VAL 344 Ca 0.03 -1.36 -0.01 0.00 0.82 0.00 0.00 66.70 66.18 3khj h VAL 344 Cb 0.88 2.30 -0.02 0.00 -1.52 0.00 0.00 31.29 32.93 3khj h VAL 344 CO 0.07 0.34 0.22 0.58 0.02 0.00 0.00 177.57 178.81 3khj h VAL 345 N -0.63 1.14 -0.26 2.57 2.07 -0.75 -2.27 116.25 118.12 3khj h VAL 345 Ca -0.00 -0.36 0.03 0.00 0.82 0.00 0.00 66.70 67.19 3khj h VAL 345 Cb 0.59 0.58 -0.03 0.00 -1.52 0.00 0.00 31.29 30.91 3khj h VAL 345 CO 0.00 0.15 0.07 0.22 0.02 0.00 0.00 177.57 178.04 3khj h TYR 346 N 0.58 0.12 -0.38 1.57 3.20 -1.41 0.47 116.97 121.13 3khj h TYR 346 Ca 0.15 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.04 3khj h TYR 346 Cb 0.04 -0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.27 3khj h TYR 346 CO 0.00 0.04 0.25 0.37 -1.64 0.00 0.00 178.16 177.19 3khj h GLN 347 N 0.18 0.50 -0.31 1.82 -0.00 -1.39 0.92 115.11 116.83 3khj h GLN 347 Ca 0.12 -0.03 -0.01 0.00 -0.00 0.00 0.00 58.65 58.73 3khj h GLN 347 Cb 0.11 -0.11 -0.01 0.00 0.00 0.00 0.00 27.48 27.46 3khj h GLN 347 CO -0.14 0.33 0.15 -0.07 0.00 0.00 0.00 178.83 179.10 3khj h LEU 348 N 0.51 0.40 -0.59 -2.39 3.38 -1.18 -0.80 115.31 114.64 3khj h LEU 348 Ca 0.14 -0.13 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 3khj h LEU 348 Cb -0.05 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.57 3khj h LEU 348 CO -0.03 0.41 0.27 0.58 0.09 0.00 0.00 178.44 179.76 3khj h VAL 349 N 0.36 1.22 -0.50 1.22 2.07 -0.76 -1.83 116.25 118.02 3khj h VAL 349 Ca 0.11 -0.63 0.03 0.00 0.82 0.00 0.00 66.70 67.03 3khj h VAL 349 Cb 0.12 0.54 -0.04 0.00 -1.52 0.00 0.00 31.29 30.39 3khj h VAL 349 CO -0.01 0.25 0.28 1.23 0.02 0.00 0.00 177.57 179.33 3khj h GLY 350 N 0.81 0.70 1.44 2.17 0.00 -0.59 -0.32 103.07 107.28 3khj h GLY 350 Ca 0.20 -0.20 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 3khj h GLY 350 CO -0.02 0.15 0.30 -1.33 0.00 0.00 0.00 176.54 175.63 3khj h GLY 351 N 0.54 0.78 0.96 4.60 0.00 -0.91 -0.15 103.07 108.90 3khj h GLY 351 Ca 0.21 -0.33 -0.13 0.00 0.00 0.00 0.00 47.33 47.08 3khj h GLY 351 CO -0.12 0.32 -0.34 -2.00 0.00 0.00 0.00 176.54 174.40 3khj h LEU 352 N 0.74 0.73 -0.54 3.11 6.46 -0.75 -0.19 115.31 124.87 3khj h LEU 352 Ca 0.19 -0.51 -0.02 0.00 -0.12 0.00 0.00 57.88 57.43 3khj h LEU 352 Cb 0.01 -0.21 -0.02 0.00 -0.73 0.00 0.00 40.66 39.71 3khj h LEU 352 CO -0.03 1.09 0.26 0.03 -0.62 0.00 0.00 178.44 179.17 3khj h ARG 353 N 0.39 0.79 -0.26 1.25 3.08 -0.77 -0.42 114.38 118.43 3khj h ARG 353 Ca 0.03 -0.12 0.00 0.00 0.07 0.00 0.00 59.98 59.96 3khj h ARG 353 Cb 0.92 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.82 3khj h ARG 353 CO 0.08 0.65 0.16 1.03 -1.07 0.00 0.00 179.97 180.82 3khj h SER 354 N 0.73 0.30 -0.44 7.04 0.87 -1.00 -0.31 113.55 120.75 3khj h SER 354 Ca 0.19 -0.03 0.06 0.00 -1.23 0.00 0.00 61.79 60.77 3khj h SER 354 Cb 0.13 -0.08 -0.05 0.00 -0.44 0.00 0.00 62.40 61.96 3khj h SER 354 CO -0.02 0.24 0.14 0.00 -0.53 0.00 0.00 176.83 176.67 3khj h MET 356 N 0.31 0.00 -0.12 0.00 2.07 -0.92 -2.44 114.93 113.83 3khj h MET 356 Ca 0.21 0.00 -0.01 0.00 -2.07 0.00 0.00 59.70 57.82 3khj h MET 356 Cb 0.21 0.00 -0.00 0.00 -1.87 0.00 0.00 31.60 29.94 3khj h MET 356 CO -0.22 0.12 0.02 0.78 1.07 0.00 0.00 176.91 178.68 3khj h GLY 357 N 2.51 0.22 0.75 8.32 0.00 -0.18 0.55 103.07 115.23 3khj h GLY 357 Ca -0.00 -0.14 0.05 0.00 0.00 0.00 0.00 47.33 47.24 3khj h GLY 357 CO 0.02 0.13 0.44 -0.97 0.00 0.00 0.00 176.54 176.16 3khj h TYR 358 N -0.02 0.82 -0.00 5.60 -1.99 -0.92 -2.31 116.97 118.15 3khj h TYR 358 Ca 0.04 0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.79 3khj h TYR 358 Cb 0.28 -0.26 0.00 0.00 2.00 0.00 0.00 36.73 38.75 3khj h TYR 358 CO 0.01 0.42 -0.11 1.28 -0.00 0.00 0.00 178.16 179.76 3khj n LEU 359 N -4.70 0.53 -3.11 3.88 4.32 -0.95 -1.54 117.00 115.44 3khj n LEU 359 Ca 0.09 -0.03 -0.15 0.00 -0.02 0.00 0.00 56.01 55.91 3khj n LEU 359 Cb 0.15 -0.17 0.08 0.00 -1.62 0.00 0.00 43.42 41.86 3khj n LEU 359 CO 0.31 0.10 0.10 0.61 -1.22 0.00 0.00 177.39 177.29 3khj n GLY 360 N 1.27 -0.26 3.00 -0.72 0.00 -0.43 -4.24 105.19 103.82 3khj n GLY 360 Ca 0.15 0.03 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 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 -4.14 2.86 0.37 1.61 0.01 0.05 -4.80 113.70 109.67 3khj s SER 361 Ca 0.02 -0.60 0.24 0.00 1.31 0.00 0.00 55.95 56.93 3khj s SER 361 Cb -0.01 -1.16 0.51 0.00 0.21 0.00 0.00 66.02 65.56 3khj s SER 361 CO 0.63 -0.09 1.67 0.00 0.41 0.00 0.00 173.24 175.86 3khj h ALA 362 N 8.04 1.00 -2.53 1.44 0.00 -1.93 -3.43 119.26 121.86 3khj h ALA 362 Ca -0.34 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.43 3khj h ALA 362 Cb 1.12 0.00 -0.14 0.00 0.00 0.00 0.00 17.79 18.78 3khj h ALA 362 CO 0.50 0.00 -0.47 -1.54 0.00 0.00 0.00 179.25 177.74 3khj s SER 363 N -5.69 0.17 0.34 0.00 1.04 -1.26 0.23 113.70 108.54 3khj s SER 363 Ca 0.08 -1.00 0.13 0.00 0.48 0.00 0.00 55.95 55.64 3khj s SER 363 Cb 0.07 0.36 0.62 0.00 0.10 0.00 0.00 66.02 67.18 3khj s SER 363 CO 0.64 -0.80 1.76 0.40 0.98 0.00 0.00 173.24 176.22 3khj h ILE 364 N 2.71 1.27 -0.39 -1.02 2.04 -1.81 0.12 117.51 120.42 3khj h ILE 364 Ca -0.33 -1.55 -0.03 0.00 1.00 0.00 0.00 64.86 63.95 3khj h ILE 364 Cb 1.21 1.85 -0.02 0.00 -0.74 0.00 0.00 36.82 39.12 3khj h ILE 364 CO 0.54 0.43 0.14 -0.08 0.00 0.00 0.00 178.15 179.18 3khj h GLU 365 N 0.00 0.60 -0.63 2.37 4.81 -1.95 -1.31 114.58 118.47 3khj h GLU 365 Ca -0.00 -0.12 -0.04 0.00 -0.13 0.00 0.00 59.36 59.06 3khj h GLU 365 Cb 0.81 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 30.07 3khj h GLU 365 CO 0.06 0.59 0.22 0.93 -0.73 0.00 0.00 179.01 180.08 3khj h GLU 366 N 0.49 0.97 -0.27 1.92 5.08 -1.87 -2.98 114.58 117.91 3khj h GLU 366 Ca 0.13 -0.20 0.06 0.00 -1.00 0.00 0.00 59.36 58.35 3khj h GLU 366 Cb 0.23 -0.15 -0.06 0.00 0.50 0.00 0.00 28.75 29.27 3khj h GLU 366 CO -0.01 0.84 -0.11 1.25 -1.00 0.00 0.00 179.01 179.98 3khj h LEU 367 N 0.90 -0.39 -1.65 1.33 5.85 -0.53 -1.34 115.31 119.48 3khj h LEU 367 Ca 0.21 0.10 0.13 0.00 0.84 0.00 0.00 57.88 59.15 3khj h LEU 367 Cb 0.26 0.22 -0.04 0.00 0.37 0.00 0.00 40.66 41.47 3khj h LEU 367 CO -0.01 -0.15 0.45 -0.50 -0.34 0.00 0.00 178.44 177.89 3khj h TRP 368 N -0.07 0.41 0.02 1.25 6.55 -1.17 -2.08 115.95 120.85 3khj h TRP 368 Ca 0.14 0.01 -0.22 0.00 0.95 0.00 0.00 58.89 59.77 3khj h TRP 368 Cb 0.28 -0.13 -0.00 0.00 -0.86 0.00 0.00 29.16 28.45 3khj h TRP 368 CO -0.30 0.17 -0.96 -0.22 -1.05 0.00 0.00 178.44 176.08 3khj h LYS 369 N 0.37 0.33 0.00 0.49 1.63 -1.11 -3.35 116.57 114.93 3khj h LYS 369 Ca 0.32 -0.37 0.00 0.00 -0.85 0.00 0.00 60.65 59.75 3khj h LYS 369 Cb 0.74 0.11 0.00 0.00 -0.60 0.00 0.00 32.23 32.48 3khj h LYS 369 CO -0.09 1.07 -0.01 0.36 -3.45 0.00 0.00 179.45 177.33 3khj n LYS 370 N -3.69 1.73 -2.49 1.90 2.85 -0.97 -5.05 118.16 112.44 3khj n LYS 370 Ca -0.06 -2.24 -0.38 0.00 -1.05 0.00 0.00 58.31 54.58 3khj n LYS 370 Cb 0.85 -1.34 -0.04 0.00 -0.65 0.00 0.00 35.03 33.85 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 -2.31 6.95 0.04 -5.58 0.01 -0.80 -4.94 113.70 107.07 3khj s SER 371 Ca 0.22 2.16 -0.20 0.00 1.31 0.00 0.00 55.95 59.45 3khj s SER 371 Cb 0.20 -2.61 0.04 0.00 0.21 0.00 0.00 66.02 63.86 3khj s SER 371 CO 0.02 -0.36 0.47 -0.94 0.41 0.00 0.00 173.24 172.84 3khj s SER 372 N -1.23 -0.36 0.05 2.44 1.04 -1.26 -5.07 113.70 109.31 3khj s SER 372 Ca 0.52 0.09 -0.02 0.00 0.48 0.00 0.00 55.95 57.02 3khj s SER 372 Cb -0.27 0.46 -0.03 0.00 0.10 0.00 0.00 66.02 66.27 3khj s SER 372 CO 0.34 -0.69 -0.00 -0.72 0.98 0.00 0.00 173.24 173.15 3khj s TYR 373 N -2.43 0.47 0.07 5.02 1.13 -1.26 -1.46 117.35 118.88 3khj s TYR 373 Ca -0.05 -1.00 0.06 0.00 -1.41 0.00 0.00 57.07 54.67 3khj s TYR 373 Cb -0.01 -0.34 -0.04 0.00 -1.10 0.00 0.00 41.96 40.47 3khj s TYR 373 CO -0.02 -0.40 -0.12 0.14 -2.51 0.00 0.00 175.55 172.65 3khj s VAL 374 N -3.87 3.27 0.29 -3.49 -7.23 0.31 -4.91 120.40 104.77 3khj s VAL 374 Ca 0.06 -1.16 -0.28 0.00 -1.81 0.00 0.00 61.98 58.80 3khj s VAL 374 Cb 0.07 -2.47 -0.09 0.00 0.56 0.00 0.00 36.38 34.45 3khj s VAL 374 CO -0.10 0.22 0.95 -1.61 -0.31 0.00 0.00 175.10 174.26 3khj s GLU 375 N -1.86 4.70 0.13 4.82 2.02 -1.26 -1.48 118.70 125.77 3khj s GLU 375 Ca 0.19 1.43 0.09 0.00 0.02 0.00 0.00 54.97 56.70 3khj s GLU 375 Cb -0.11 -3.03 -0.04 0.00 0.10 0.00 0.00 34.13 31.05 3khj s GLU 375 CO 0.10 0.37 -0.22 0.96 0.02 0.00 0.00 175.26 176.50 3khj s ILE 376 N -1.40 1.91 0.81 -1.63 -4.36 0.23 -4.93 121.20 111.84 3khj s ILE 376 Ca 0.46 -1.74 -0.11 0.00 -0.26 0.00 0.00 60.65 59.00 3khj s ILE 376 Cb -0.23 -1.78 0.09 0.00 1.25 0.00 0.00 42.46 41.79 3khj s ILE 376 CO 0.28 -0.11 1.17 0.42 0.24 0.00 0.00 174.94 176.94 3khj s THR 377 N -1.43 2.04 -0.20 8.37 -4.23 -1.26 -4.77 115.64 114.16 3khj s THR 377 Ca 0.12 -0.05 0.00 0.00 -1.18 0.00 0.00 61.69 60.58 3khj s THR 377 Cb -0.09 -3.00 0.00 0.00 1.34 0.00 0.00 72.50 70.76 3khj s THR 377 CO 0.06 0.00 0.05 0.35 -0.54 0.00 0.00 174.62 174.54