#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3khj n LYS 4 N 0.00 2.19 -2.27 -0.78 5.02 -1.26 -4.87 118.16 116.20 3khj n LYS 4 Ca 0.00 -1.82 -0.42 0.00 -2.02 0.00 0.00 58.31 54.05 3khj n LYS 4 Cb 0.00 -1.45 -0.02 0.00 -0.02 0.00 0.00 35.03 33.54 3khj n LYS 4 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 3khj s ASN 5 N -1.36 6.13 0.00 4.39 3.04 -1.26 -4.87 114.94 121.00 3khj s ASN 5 Ca 0.36 0.77 0.28 0.00 0.04 0.00 0.00 52.86 54.31 3khj s ASN 5 Cb 0.20 -2.54 1.07 0.00 -1.54 0.00 0.00 41.25 38.44 3khj s ASN 5 CO 0.28 -1.62 1.75 2.30 -3.04 0.00 0.00 177.10 176.78 3khj n ILE 6 N 7.12 0.00 0.00 -5.21 -5.35 -1.26 -5.03 119.36 109.63 3khj n ILE 6 Ca 0.17 -0.15 0.00 0.00 -0.27 0.00 0.00 62.75 62.50 3khj n ILE 6 Cb 0.48 0.27 0.00 0.00 -1.74 0.00 0.00 39.64 38.65 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 1.23 0.92 3.72 3.28 0.00 -1.26 -5.07 105.19 108.00 3khj n GLY 7 Ca 0.16 -1.97 -0.38 0.00 0.00 0.00 0.00 46.02 43.83 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 -1.55 4.32 -0.23 1.61 2.47 -1.26 -5.06 119.74 120.03 3khj s LYS 8 Ca 0.00 0.38 -0.12 0.00 -1.56 0.00 0.00 55.97 54.68 3khj s LYS 8 Cb 0.00 -3.44 -0.05 0.00 -1.46 0.00 0.00 37.83 32.88 3khj s LYS 8 CO 0.00 0.15 0.22 0.20 0.16 0.00 0.00 175.35 176.08 3khj s GLY 9 N 0.64 2.01 -0.14 5.54 0.00 -1.26 -5.01 107.32 109.11 3khj s GLY 9 Ca 0.24 -0.79 -0.05 0.00 0.00 0.00 0.00 44.72 44.12 3khj s GLY 9 CO 0.09 0.49 0.05 1.08 0.00 0.00 0.00 173.10 174.81 3khj s LEU 10 N 1.10 3.80 0.00 0.66 1.43 -1.26 -4.86 118.68 119.54 3khj s LEU 10 Ca 0.10 0.15 0.09 0.00 -1.03 0.00 0.00 54.13 53.44 3khj s LEU 10 Cb -0.14 -1.92 0.09 0.00 0.03 0.00 0.00 46.19 44.25 3khj s LEU 10 CO 0.05 0.27 0.75 1.07 0.23 0.00 0.00 176.35 178.73 3khj n THR 11 N 2.86 0.00 -0.33 5.49 5.66 -1.26 -2.38 114.28 124.32 3khj n THR 11 Ca -0.18 -1.99 -0.02 0.00 -3.05 0.00 0.00 64.05 58.81 3khj n THR 11 Cb 0.53 -0.44 0.10 0.00 -1.55 0.00 0.00 70.33 68.97 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 0.18 1.12 0.00 1.09 0.05 -1.94 -2.28 116.94 115.16 3khj h PHE 12 Ca -0.28 0.03 0.00 0.00 3.82 0.00 0.00 57.97 61.53 3khj h PHE 12 Cb 1.26 -0.38 0.00 0.00 2.00 0.00 0.00 35.95 38.84 3khj h PHE 12 CO 0.00 0.69 0.00 -1.91 -0.18 0.00 0.00 178.31 176.91 3khj n GLU 13 N -4.48 0.09 0.17 1.51 4.07 -1.26 -2.97 120.64 117.78 3khj n GLU 13 Ca 0.10 0.25 0.12 0.00 -0.06 0.00 0.00 57.16 57.57 3khj n GLU 13 Cb 0.04 -1.65 0.10 0.00 -0.06 0.00 0.00 31.44 29.86 3khj n GLU 13 CO 0.00 0.00 0.00 -0.44 -0.06 0.00 0.00 177.13 176.63 3khj h ASP 14 N 0.00 0.00 -3.18 4.31 3.32 -1.72 -3.46 116.42 115.69 3khj h ASP 14 Ca 0.00 0.00 -0.49 0.00 0.02 0.00 0.00 57.03 56.56 3khj h ASP 14 Cb 0.39 0.00 -0.15 0.00 0.22 0.00 0.00 39.33 39.79 3khj h ASP 14 CO 0.00 0.01 -0.75 0.27 -1.72 0.00 0.00 179.24 177.05 3khj s ILE 15 N -3.27 1.86 0.02 0.35 -4.36 -1.16 0.35 121.20 115.00 3khj s ILE 15 Ca 0.04 -2.15 0.03 0.00 -0.26 0.00 0.00 60.65 58.31 3khj s ILE 15 Cb 0.07 -2.02 -0.02 0.00 1.25 0.00 0.00 42.46 41.75 3khj s ILE 15 CO 0.72 -0.49 -0.09 -0.76 0.24 0.00 0.00 174.94 174.57 3khj s LEU 16 N -3.14 2.13 0.07 0.37 1.43 -0.58 -4.92 118.68 114.04 3khj s LEU 16 Ca 0.21 -0.35 -0.28 0.00 -1.03 0.00 0.00 54.13 52.69 3khj s LEU 16 Cb -0.03 -0.36 -0.05 0.00 0.03 0.00 0.00 46.19 45.78 3khj s LEU 16 CO 0.08 -0.02 0.89 -0.76 0.23 0.00 0.00 176.35 176.76 3khj s LEU 17 N -0.87 4.46 -0.13 1.79 1.43 -1.26 -0.53 118.68 123.57 3khj s LEU 17 Ca -0.02 1.64 -0.23 0.00 -1.03 0.00 0.00 54.13 54.49 3khj s LEU 17 Cb -0.06 -3.44 -0.03 0.00 0.03 0.00 0.00 46.19 42.69 3khj s LEU 17 CO 0.00 -0.06 0.71 -0.69 0.23 0.00 0.00 176.35 176.54 3khj s VAL 18 N 0.12 5.01 0.47 -1.59 1.01 0.52 -4.92 120.40 121.02 3khj s VAL 18 Ca 0.44 1.41 -0.24 0.00 0.00 0.00 0.00 61.98 63.58 3khj s VAL 18 Cb -0.22 -4.03 -0.07 0.00 0.00 0.00 0.00 36.38 32.06 3khj s VAL 18 CO 0.27 0.17 1.42 -2.84 0.00 0.00 0.00 175.10 174.11 3khj s PRO 19 N 1.40 3.55 0.44 2.72 0.02 -1.26 -4.59 135.00 137.28 3khj s PRO 19 Ca 0.35 2.40 0.06 0.00 0.02 0.00 0.00 61.00 63.83 3khj s PRO 19 Cb -0.17 -2.57 -0.04 0.00 0.02 0.00 0.00 34.50 31.75 3khj s PRO 19 CO 0.14 -0.92 0.16 -0.80 -0.33 0.00 0.00 177.00 175.26 3khj s ASN 20 N -0.58 4.34 0.31 2.53 0.01 -0.05 -4.95 114.94 116.55 3khj s ASN 20 Ca 0.63 -1.21 -0.30 0.00 -0.71 0.00 0.00 52.86 51.27 3khj s ASN 20 Cb -0.43 -0.23 -0.11 0.00 0.41 0.00 0.00 41.25 40.88 3khj s ASN 20 CO 0.55 -0.64 1.58 0.00 -1.51 0.00 0.00 177.10 177.08 3khj n TYR 21 N -1.27 2.91 -4.48 2.20 9.36 -1.26 -4.42 117.16 120.20 3khj n TYR 21 Ca -0.04 0.29 -0.23 0.00 3.32 0.00 0.00 57.90 61.24 3khj n TYR 21 Cb 0.65 -2.59 -0.16 0.00 -0.63 0.00 0.00 39.34 36.61 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 0.38 1.49 0.00 2.98 0.15 -1.26 -4.20 113.70 113.23 3khj s SER 22 Ca 0.62 -0.24 0.10 0.00 0.70 0.00 0.00 55.95 57.13 3khj s SER 22 Cb -0.49 -0.58 0.07 0.00 -1.71 0.00 0.00 66.02 63.31 3khj s SER 22 CO 0.52 0.04 0.80 -0.62 1.20 0.00 0.00 173.24 175.18 3khj n GLU 23 N 3.63 0.50 -5.04 5.44 1.02 -1.26 -5.02 120.64 119.92 3khj n GLU 23 Ca -0.22 -1.07 -0.32 0.00 -0.02 0.00 0.00 57.16 55.54 3khj n GLU 23 Cb 0.52 -1.18 -0.16 0.00 -0.02 0.00 0.00 31.44 30.60 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 -0.87 2.52 0.26 2.62 -7.23 -1.26 -5.12 120.40 111.32 3khj s VAL 24 Ca 0.11 -0.87 -0.23 0.00 -1.81 0.00 0.00 61.98 59.19 3khj s VAL 24 Cb 0.08 -2.00 -0.09 0.00 0.56 0.00 0.00 36.38 34.94 3khj s VAL 24 CO 0.13 0.55 0.81 -0.76 -0.31 0.00 0.00 175.10 175.53 3khj s LEU 25 N 0.12 4.36 0.45 1.32 1.43 -1.26 -4.66 118.68 120.44 3khj s LEU 25 Ca -0.10 1.60 0.29 0.00 -1.03 0.00 0.00 54.13 54.89 3khj s LEU 25 Cb -0.16 -3.74 1.36 0.00 0.03 0.00 0.00 46.19 43.69 3khj s LEU 25 CO 0.06 0.00 1.71 -0.65 0.23 0.00 0.00 176.35 177.70 3khj h PRO 26 N 3.38 0.17 0.00 1.29 0.11 -1.91 0.12 132.00 135.16 3khj h PRO 26 Ca -0.47 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3khj h PRO 26 Cb 1.19 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3khj h PRO 26 CO 0.65 0.11 0.00 -0.09 -0.21 0.00 0.00 178.00 178.46 3khj h ARG 27 N 0.17 0.00 0.00 1.05 2.43 -1.93 -3.25 114.38 112.85 3khj h ARG 27 Ca 0.70 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.87 3khj h ARG 27 Cb 2.23 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.78 3khj h ARG 27 CO -0.27 0.00 -1.27 0.39 -1.51 0.00 0.00 179.97 177.31 3khj n GLU 28 N -2.84 0.29 -2.33 0.20 1.02 0.43 -4.99 120.64 112.42 3khj n GLU 28 Ca 0.02 -0.05 -0.38 0.00 -0.02 0.00 0.00 57.16 56.73 3khj n GLU 28 Cb 0.35 -1.54 -0.02 0.00 -0.02 0.00 0.00 31.44 30.20 3khj n GLU 28 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 3khj s VAL 29 N -3.21 3.24 0.01 2.62 -7.23 -1.19 -5.00 120.40 109.65 3khj s VAL 29 Ca 0.02 1.00 -0.19 0.00 -1.81 0.00 0.00 61.98 61.00 3khj s VAL 29 Cb 0.15 -3.54 -0.06 0.00 0.56 0.00 0.00 36.38 33.49 3khj s VAL 29 CO 0.85 0.05 0.55 -0.55 -0.31 0.00 0.00 175.10 175.69 3khj s SER 30 N -1.27 6.96 0.00 4.85 0.15 0.16 -4.98 113.70 119.58 3khj s SER 30 Ca 0.59 1.14 0.10 0.00 0.70 0.00 0.00 55.95 58.47 3khj s SER 30 Cb -0.29 -2.34 0.19 0.00 -1.71 0.00 0.00 66.02 61.87 3khj s SER 30 CO 0.36 0.19 1.04 0.18 1.20 0.00 0.00 173.24 176.21 3khj n LEU 31 N 2.30 2.38 -4.73 3.45 4.77 -1.26 -4.22 117.00 119.69 3khj n LEU 31 Ca -0.09 -1.54 -0.42 0.00 -0.03 0.00 0.00 56.01 53.93 3khj n LEU 31 Cb 0.51 -0.11 -0.03 0.00 -2.33 0.00 0.00 43.42 41.46 3khj n LEU 31 CO 0.42 0.55 1.13 -1.61 -1.33 0.00 0.00 177.39 176.54 3khj s GLU 32 N -0.93 4.27 0.16 3.23 2.02 -1.13 -3.83 118.70 122.49 3khj s GLU 32 Ca 0.17 2.24 -0.02 0.00 0.02 0.00 0.00 54.97 57.37 3khj s GLU 32 Cb 0.10 -3.17 -0.04 0.00 0.10 0.00 0.00 34.13 31.12 3khj s GLU 32 CO 0.14 -0.48 0.12 -0.08 0.02 0.00 0.00 175.26 174.97 3khj s THR 33 N 0.77 0.06 -0.21 3.63 -1.32 -0.49 -4.71 115.64 113.37 3khj s THR 33 Ca 0.65 -1.88 -0.15 0.00 -1.21 0.00 0.00 61.69 59.09 3khj s THR 33 Cb -0.41 -2.20 -0.04 0.00 -1.51 0.00 0.00 72.50 68.34 3khj s THR 33 CO 0.34 -0.26 0.38 -0.54 -2.21 0.00 0.00 174.62 172.33 3khj s LYS 34 N -4.08 4.14 -0.09 7.08 1.02 -1.26 -0.23 119.74 126.32 3khj s LYS 34 Ca 0.29 0.15 -0.27 0.00 0.02 0.00 0.00 55.97 56.16 3khj s LYS 34 Cb 0.07 -3.55 -0.24 0.00 -0.52 0.00 0.00 37.83 33.58 3khj s LYS 34 CO 0.06 -0.06 0.96 1.25 -0.92 0.00 0.00 175.35 176.63 3khj h LEU 35 N 7.76 0.06 0.00 3.17 5.85 -0.75 -3.44 115.31 127.96 3khj h LEU 35 Ca -0.36 -0.82 -0.46 0.00 0.84 0.00 0.00 57.88 57.09 3khj h LEU 35 Cb 1.16 -0.02 -0.10 0.00 0.37 0.00 0.00 40.66 42.08 3khj h LEU 35 CO 0.70 0.87 -0.37 0.35 -0.34 0.00 0.00 178.44 179.65 3khj n THR 36 N -4.64 0.00 -0.36 1.05 -2.24 -0.45 -4.74 114.28 102.91 3khj n THR 36 Ca -0.10 -1.85 0.28 0.00 -2.27 0.00 0.00 64.05 60.11 3khj n THR 36 Cb 0.43 0.56 0.57 0.00 -2.10 0.00 0.00 70.33 69.79 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 0.27 0.00 -0.78 3.64 -1.65 -3.17 116.57 114.88 3khj h LYS 37 Ca -0.28 -0.02 -0.15 0.00 -1.27 0.00 0.00 60.65 58.94 3khj h LYS 37 Cb 0.96 -0.06 -0.29 0.00 -0.41 0.00 0.00 32.23 32.43 3khj h LYS 37 CO 0.44 0.18 -0.79 0.27 -2.27 0.00 0.00 179.45 177.28 3khj n ASN 38 N -4.61 0.42 -3.95 4.20 6.94 -1.26 -5.03 115.26 111.97 3khj n ASN 38 Ca 0.29 -1.97 -0.26 0.00 -0.02 0.00 0.00 54.58 52.61 3khj n ASN 38 Cb 1.06 -0.14 -0.17 0.00 -2.36 0.00 0.00 39.78 38.17 3khj n ASN 38 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 3khj s VAL 39 N 0.00 1.09 0.16 3.53 1.01 -1.20 -5.09 120.40 119.90 3khj s VAL 39 Ca 0.23 -0.37 0.11 0.00 0.00 0.00 0.00 61.98 61.95 3khj s VAL 39 Cb 0.26 -1.06 -0.04 0.00 0.00 0.00 0.00 36.38 35.53 3khj s VAL 39 CO -0.11 0.37 -0.24 -0.94 0.00 0.00 0.00 175.10 174.17 3khj s SER 40 N 1.35 3.46 0.30 3.32 1.04 -1.26 -0.00 113.70 121.91 3khj s SER 40 Ca -0.01 -0.78 0.11 0.00 0.48 0.00 0.00 55.95 55.75 3khj s SER 40 Cb -0.14 -0.29 -0.05 0.00 0.10 0.00 0.00 66.02 65.64 3khj s SER 40 CO -0.05 0.15 -0.15 -0.76 0.98 0.00 0.00 173.24 173.41 3khj s LEU 41 N -2.38 2.68 0.03 2.42 1.43 0.68 -4.82 118.68 118.71 3khj s LEU 41 Ca 0.18 -1.06 0.17 0.00 -1.03 0.00 0.00 54.13 52.39 3khj s LEU 41 Cb -0.09 -1.11 -0.16 0.00 0.03 0.00 0.00 46.19 44.86 3khj s LEU 41 CO 0.09 -0.05 0.75 0.29 0.23 0.00 0.00 176.35 177.66 3khj n LYS 42 N -0.70 0.63 -4.30 1.70 5.02 0.14 -1.40 118.16 119.25 3khj n LYS 42 Ca -0.05 0.20 -0.22 0.00 -2.02 0.00 0.00 58.31 56.23 3khj n LYS 42 Cb 0.61 -1.78 -0.13 0.00 -0.02 0.00 0.00 35.03 33.71 3khj n LYS 42 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 3khj s ILE 43 N -2.88 1.41 -0.21 -0.18 -4.36 -0.71 -2.86 121.20 111.41 3khj s ILE 43 Ca -0.04 -1.33 -0.01 0.00 -0.26 0.00 0.00 60.65 59.01 3khj s ILE 43 Cb 0.09 -1.29 0.11 0.00 1.25 0.00 0.00 42.46 42.62 3khj s ILE 43 CO 0.82 -0.07 2.13 -0.81 0.24 0.00 0.00 174.94 177.24 3khj n PRO 44 N 1.38 1.58 -4.96 0.37 -0.04 -1.25 -4.28 135.00 127.80 3khj n PRO 44 Ca -0.20 -1.07 -0.32 0.00 -0.04 0.00 0.00 63.50 61.87 3khj n PRO 44 Cb 0.54 -1.46 -0.15 0.00 -0.04 0.00 0.00 33.50 32.39 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 -1.16 2.52 -0.04 1.53 1.43 -1.26 -1.26 118.68 120.44 3khj s LEU 45 Ca 0.24 -0.35 0.03 0.00 -1.03 0.00 0.00 54.13 53.02 3khj s LEU 45 Cb 0.17 -1.52 0.01 0.00 0.03 0.00 0.00 46.19 44.88 3khj s LEU 45 CO -0.02 0.24 -0.12 -0.63 0.23 0.00 0.00 176.35 176.06 3khj s ILE 46 N -0.10 1.01 0.04 -0.59 1.01 -0.18 -2.60 121.20 119.80 3khj s ILE 46 Ca -0.03 -0.46 -0.23 0.00 0.00 0.00 0.00 60.65 59.93 3khj s ILE 46 Cb -0.14 -0.90 -0.06 0.00 0.01 0.00 0.00 42.46 41.37 3khj s ILE 46 CO 0.04 0.31 0.68 -0.94 0.00 0.00 0.00 174.94 175.03 3khj s SER 47 N 0.32 7.12 0.51 3.58 1.04 -0.86 -0.32 113.70 125.09 3khj s SER 47 Ca -0.07 1.33 -0.23 0.00 0.48 0.00 0.00 55.95 57.47 3khj s SER 47 Cb -0.11 -2.42 -0.06 0.00 0.10 0.00 0.00 66.02 63.53 3khj s SER 47 CO 0.02 0.10 1.36 -0.44 0.98 0.00 0.00 173.24 175.26 3khj s SER 48 N -0.35 5.50 -1.44 7.02 0.01 -0.72 -2.74 113.70 120.98 3khj s SER 48 Ca 0.34 2.77 -0.13 0.00 1.31 0.00 0.00 55.95 60.24 3khj s SER 48 Cb -0.20 -2.64 0.06 0.00 0.21 0.00 0.00 66.02 63.45 3khj s SER 48 CO 0.21 -1.42 2.19 0.00 0.41 0.00 0.00 173.24 174.63 3khj n ALA 49 N -0.76 5.57 -2.48 1.44 0.00 -1.23 -3.80 120.51 119.25 3khj n ALA 49 Ca 0.09 -3.94 -0.26 0.00 0.00 0.00 0.00 53.44 49.33 3khj n ALA 49 Cb 0.44 -3.45 -0.14 0.00 0.00 0.00 0.00 19.45 16.30 3khj n ALA 49 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 3khj s MET 50 N 2.76 1.40 0.66 0.00 -1.94 -1.26 -4.58 119.30 116.33 3khj s MET 50 Ca 0.46 -0.96 0.15 0.00 -1.71 0.00 0.00 55.69 53.64 3khj s MET 50 Cb 0.13 -1.52 0.81 0.00 2.01 0.00 0.00 34.83 36.26 3khj s MET 50 CO -0.08 0.39 1.45 0.22 -0.01 0.00 0.00 175.02 176.99 3khj h ASP 51 N 4.83 0.00 0.00 3.03 3.58 -1.91 -2.02 116.42 123.94 3khj h ASP 51 Ca -0.43 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.02 3khj h ASP 51 Cb 1.16 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.21 3khj h ASP 51 CO 0.44 0.00 0.00 1.07 -2.88 0.00 0.00 179.24 177.87 3khj n THR 52 N -2.75 0.49 0.00 2.25 5.66 -1.26 -4.82 114.28 113.85 3khj n THR 52 Ca 0.00 -0.70 0.00 0.00 -3.05 0.00 0.00 64.05 60.30 3khj n THR 52 Cb 0.74 0.80 0.00 0.00 -1.55 0.00 0.00 70.33 70.31 3khj n THR 52 CO 0.00 0.00 0.00 0.55 -3.05 0.00 0.00 175.07 172.57 3khj n VAL 53 N -0.24 0.00 -4.06 1.08 3.14 -0.77 -4.44 118.33 113.04 3khj n VAL 53 Ca 0.00 0.00 -0.32 0.00 -2.96 0.00 0.00 64.34 61.06 3khj n VAL 53 Cb 0.16 -0.69 -0.15 0.00 -1.06 0.00 0.00 33.84 32.10 3khj n VAL 53 CO 0.00 0.00 0.00 -0.89 -6.46 0.00 0.00 176.83 169.48 3khj s THR 54 N -1.80 2.23 0.00 1.55 2.01 -1.14 -4.28 115.64 114.21 3khj s THR 54 Ca 0.00 -1.65 0.00 0.00 0.31 0.00 0.00 61.69 60.35 3khj s THR 54 Cb 0.00 -2.32 0.00 0.00 0.01 0.00 0.00 72.50 70.19 3khj s THR 54 CO 0.00 -0.06 0.00 -0.62 -0.69 0.00 0.00 174.62 173.25 3khj n GLU 55 N 4.44 2.96 -0.24 4.92 1.02 -1.26 -3.41 120.64 129.07 3khj n GLU 55 Ca -0.13 0.00 -0.06 0.00 -0.02 0.00 0.00 57.16 56.95 3khj n GLU 55 Cb 0.42 0.00 0.04 0.00 -0.02 0.00 0.00 31.44 31.88 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 0.91 -0.44 -0.32 2.07 -1.93 -1.66 115.15 113.78 3khj h HIS 56 Ca 0.00 -0.02 0.02 0.00 -2.85 0.00 0.00 60.37 57.52 3khj h HIS 56 Cb 0.00 -0.29 -0.03 0.00 2.57 0.00 0.00 27.41 29.66 3khj h HIS 56 CO 0.00 0.65 0.25 -0.07 -3.07 0.00 0.00 177.93 175.69 3khj h LEU 57 N 0.90 0.41 -0.61 6.12 4.07 -1.95 -1.04 115.31 123.22 3khj h LEU 57 Ca 0.23 0.01 -0.06 0.00 0.08 0.00 0.00 57.88 58.14 3khj h LEU 57 Cb 0.04 -0.08 -0.02 0.00 1.08 0.00 0.00 40.66 41.68 3khj h LEU 57 CO -0.04 0.29 0.14 -0.03 -1.08 0.00 0.00 178.44 177.72 3khj h MET 58 N 0.51 0.97 0.00 1.13 4.05 -1.36 -2.16 114.93 118.08 3khj h MET 58 Ca 0.18 -0.24 -0.08 0.00 -0.28 0.00 0.00 59.70 59.28 3khj h MET 58 Cb 0.02 -0.13 -0.01 0.00 -0.80 0.00 0.00 31.60 30.69 3khj h MET 58 CO -0.09 0.89 -0.37 0.00 0.23 0.00 0.00 176.91 177.58 3khj h ALA 59 N 1.04 1.30 0.08 0.39 0.00 -1.00 -0.80 119.26 120.26 3khj h ALA 59 Ca 0.19 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 3khj h ALA 59 Cb 0.36 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3khj h ALA 59 CO 0.00 0.46 -0.04 0.28 0.00 0.00 0.00 179.25 179.96 3khj h VAL 60 N 0.00 1.20 -0.37 0.00 2.07 -1.02 -2.47 116.25 115.66 3khj h VAL 60 Ca -0.00 -1.29 0.06 0.00 0.82 0.00 0.00 66.70 66.29 3khj h VAL 60 Cb 0.69 2.00 -0.06 0.00 -1.52 0.00 0.00 31.29 32.40 3khj h VAL 60 CO 0.05 0.30 0.02 1.23 0.02 0.00 0.00 177.57 179.20 3khj h GLY 61 N -0.72 0.39 0.89 2.17 0.00 -1.26 -0.52 103.07 104.01 3khj h GLY 61 Ca -0.01 0.02 0.03 0.00 0.00 0.00 0.00 47.33 47.37 3khj h GLY 61 CO 0.02 -0.07 0.57 -0.33 0.00 0.00 0.00 176.54 176.73 3khj h MET 62 N 0.13 1.08 -0.18 4.80 2.86 -1.25 -2.79 114.93 119.58 3khj h MET 62 Ca 0.18 -0.06 -0.13 0.00 -2.06 0.00 0.00 59.70 57.62 3khj h MET 62 Cb 0.24 -0.24 -0.01 0.00 0.06 0.00 0.00 31.60 31.64 3khj h MET 62 CO -0.28 0.71 -0.46 0.00 1.06 0.00 0.00 176.91 177.95 3khj h ALA 63 N 1.36 0.87 0.00 6.32 0.00 -0.90 -0.06 119.26 126.85 3khj h ALA 63 Ca 0.35 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3khj h ALA 63 Cb -0.01 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.69 3khj h ALA 63 CO -0.11 0.65 0.00 0.54 0.00 0.00 0.00 179.25 180.33 3khj n ARG 64 N -4.00 0.21 0.00 0.00 1.74 -0.26 -2.84 116.66 111.50 3khj n ARG 64 Ca -0.02 0.04 0.09 0.00 -0.77 0.00 0.00 57.85 57.19 3khj n ARG 64 Cb 0.54 -1.50 0.06 0.00 -1.02 0.00 0.00 32.46 30.54 3khj n ARG 64 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3khj n LEU 65 N -1.38 2.32 0.00 0.55 4.32 -1.07 -4.96 117.00 116.77 3khj n LEU 65 Ca 0.10 -0.95 0.00 0.00 -0.02 0.00 0.00 56.01 55.14 3khj n LEU 65 Cb 0.25 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.05 3khj n LEU 65 CO 0.22 0.41 0.00 0.61 -1.22 0.00 0.00 177.39 177.41 3khj n GLY 66 N 1.06 0.45 0.00 -0.72 0.00 -1.13 -4.61 105.19 100.23 3khj n GLY 66 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 -1.55 1.98 3.31 -0.02 0.00 -0.06 -0.69 105.19 108.17 3khj n GLY 67 Ca 0.00 -1.95 -0.14 0.00 0.00 0.00 0.00 46.02 43.94 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 2.65 0.05 -0.06 -0.61 2.07 -1.07 -3.77 121.20 120.45 3khj s ILE 68 Ca 0.00 -0.41 0.03 0.00 -1.41 0.00 0.00 60.65 58.86 3khj s ILE 68 Cb 0.00 -0.82 -0.02 0.00 0.13 0.00 0.00 42.46 41.75 3khj s ILE 68 CO 0.00 -0.22 -0.14 -0.83 -1.91 0.00 0.00 174.94 171.84 3khj s GLY 69 N -1.60 1.54 -0.36 1.50 0.00 -1.26 -2.03 107.32 105.11 3khj s GLY 69 Ca -0.10 -0.96 -0.10 0.00 0.00 0.00 0.00 44.72 43.56 3khj s GLY 69 CO 0.02 -0.67 0.18 -0.42 0.00 0.00 0.00 173.10 172.21 3khj s ILE 70 N -0.56 4.44 0.14 0.90 -1.09 -1.11 -1.85 121.20 122.07 3khj s ILE 70 Ca 0.08 -0.83 -0.31 0.00 -2.23 0.00 0.00 60.65 57.36 3khj s ILE 70 Cb -0.11 -3.44 -0.09 0.00 -1.58 0.00 0.00 42.46 37.24 3khj s ILE 70 CO 0.01 -0.17 1.42 -0.63 -1.23 0.00 0.00 174.94 174.34 3khj s ILE 71 N 1.54 3.12 0.71 2.92 1.01 0.11 -3.58 121.20 127.03 3khj s ILE 71 Ca 0.02 0.83 -0.13 0.00 0.00 0.00 0.00 60.65 61.36 3khj s ILE 71 Cb -0.19 -3.53 0.03 0.00 0.01 0.00 0.00 42.46 38.78 3khj s ILE 71 CO 0.06 0.08 1.11 -1.38 0.00 0.00 0.00 174.94 174.81 3khj s HIS 72 N 0.91 2.50 -0.82 3.97 -3.43 -1.22 -1.02 115.29 116.19 3khj s HIS 72 Ca 0.64 1.57 0.25 0.00 -0.80 0.00 0.00 55.06 56.72 3khj s HIS 72 Cb -0.38 -3.17 0.41 0.00 -1.43 0.00 0.00 32.58 28.01 3khj s HIS 72 CO 0.32 -1.86 1.35 0.36 -2.00 0.00 0.00 174.74 172.91 3khj n LYS 73 N -2.88 0.15 -0.53 -0.38 2.85 -1.26 -4.68 118.16 111.43 3khj n LYS 73 Ca 0.10 0.03 -0.15 0.00 -1.05 0.00 0.00 58.31 57.24 3khj n LYS 73 Cb 0.52 -1.58 -0.02 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 -1.79 3.54 -3.63 -5.58 5.15 -1.26 -4.67 115.26 107.03 3khj n ASN 74 Ca 0.04 -2.21 -0.01 0.00 -0.60 0.00 0.00 54.58 51.80 3khj n ASN 74 Cb 0.39 -0.91 -0.00 0.00 -0.53 0.00 0.00 39.78 38.72 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 3.71 0.92 0.61 1.20 0.23 -1.26 -5.04 119.30 119.67 3khj s MET 75 Ca 0.29 -0.54 -0.19 0.00 -1.03 0.00 0.00 55.69 54.22 3khj s MET 75 Cb 0.08 0.29 -0.03 0.00 -1.53 0.00 0.00 34.83 33.65 3khj s MET 75 CO -0.02 -0.43 1.29 -0.51 -2.03 0.00 0.00 175.02 173.32 3khj s ASP 76 N -3.14 4.89 0.24 -1.18 1.11 -1.26 -4.81 116.67 112.51 3khj s ASP 76 Ca 0.17 2.61 -0.05 0.00 0.18 0.00 0.00 52.55 55.45 3khj s ASP 76 Cb 0.00 -2.62 0.33 0.00 1.07 0.00 0.00 42.92 41.71 3khj s ASP 76 CO 0.01 -1.81 1.86 0.24 1.18 0.00 0.00 175.17 176.64 3khj h MET 77 N 0.84 0.97 -0.49 8.23 2.86 -1.99 0.10 114.93 125.47 3khj h MET 77 Ca -0.51 -0.06 -0.00 0.00 -2.06 0.00 0.00 59.70 57.07 3khj h MET 77 Cb 1.32 -0.22 -0.02 0.00 0.06 0.00 0.00 31.60 32.74 3khj h MET 77 CO 0.55 0.64 0.30 0.93 1.06 0.00 0.00 176.91 180.39 3khj h GLU 78 N 1.00 0.66 -0.54 1.72 4.39 -1.99 -0.87 114.58 118.94 3khj h GLU 78 Ca 0.38 -0.05 -0.08 0.00 0.34 0.00 0.00 59.36 59.94 3khj h GLU 78 Cb 0.15 -0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 28.64 3khj h GLU 78 CO -0.17 0.47 0.02 0.77 -1.16 0.00 0.00 179.01 178.94 3khj h SER 79 N 0.65 0.92 -0.28 1.42 0.02 -1.76 -2.06 113.55 112.47 3khj h SER 79 Ca 0.18 -0.30 -0.16 0.00 -0.84 0.00 0.00 61.79 60.67 3khj h SER 79 Cb -0.03 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.26 3khj h SER 79 CO -0.03 0.99 -0.44 -0.61 -1.14 0.00 0.00 176.83 175.60 3khj h GLN 80 N 0.83 0.84 -0.73 3.45 4.15 -0.64 -1.62 115.11 121.39 3khj h GLN 80 Ca 0.16 -0.47 -0.03 0.00 0.77 0.00 0.00 58.65 59.08 3khj h GLN 80 Cb 0.50 0.03 -0.03 0.00 0.21 0.00 0.00 27.48 28.19 3khj h GLN 80 CO 0.02 1.11 0.36 0.28 -1.93 0.00 0.00 178.83 178.67 3khj h VAL 81 N 0.68 1.24 -0.74 2.39 2.07 -1.15 -2.36 116.25 118.37 3khj h VAL 81 Ca 0.04 -0.65 -0.01 0.00 0.82 0.00 0.00 66.70 66.90 3khj h VAL 81 Cb 1.02 0.31 -0.04 0.00 -1.52 0.00 0.00 31.29 31.07 3khj h VAL 81 CO 0.10 0.28 0.41 0.78 0.02 0.00 0.00 177.57 179.16 3khj h ASN 82 N 1.03 0.91 -0.59 0.57 2.35 -1.16 -0.49 115.58 118.19 3khj h ASN 82 Ca 0.25 -0.07 -0.05 0.00 -0.55 0.00 0.00 56.30 55.88 3khj h ASN 82 Cb 0.11 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.22 3khj h ASN 82 CO -0.03 0.72 0.17 -0.33 -1.65 0.00 0.00 177.43 176.31 3khj h GLU 83 N 1.03 0.93 -0.71 0.81 4.39 -1.01 -0.87 114.58 119.16 3khj h GLU 83 Ca 0.26 -0.21 -0.00 0.00 0.34 0.00 0.00 59.36 59.75 3khj h GLU 83 Cb 0.01 -0.13 -0.03 0.00 -0.10 0.00 0.00 28.75 28.50 3khj h GLU 83 CO -0.04 0.85 0.42 0.28 -1.16 0.00 0.00 179.01 179.36 3khj h VAL 84 N 0.85 1.20 -0.50 3.13 2.07 -1.10 -3.03 116.25 118.88 3khj h VAL 84 Ca 0.19 -0.45 0.00 0.00 0.82 0.00 0.00 66.70 67.26 3khj h VAL 84 Cb 0.31 0.23 -0.02 0.00 -1.52 0.00 0.00 31.29 30.29 3khj h VAL 84 CO -0.00 0.21 0.32 -0.07 0.02 0.00 0.00 177.57 178.05 3khj h LEU 85 N 0.96 0.59 -2.09 2.57 4.07 -0.64 -0.99 115.31 119.78 3khj h LEU 85 Ca 0.25 -0.03 -0.01 0.00 0.08 0.00 0.00 57.88 58.17 3khj h LEU 85 Cb -0.03 -0.15 -0.00 0.00 1.08 0.00 0.00 40.66 41.56 3khj h LEU 85 CO -0.05 0.45 -0.06 0.11 -1.08 0.00 0.00 178.44 177.81 3khj h LYS 86 N 0.67 0.00 0.02 1.13 1.57 -1.09 -2.20 116.57 116.66 3khj h LYS 86 Ca 0.18 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.86 3khj h LYS 86 Cb -0.05 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.25 3khj h LYS 86 CO -0.04 0.06 -0.53 0.28 -0.57 0.00 0.00 179.45 178.65 3khj h VAL 87 N 0.00 1.46 -0.99 0.50 2.07 -1.32 -3.27 116.25 114.70 3khj h VAL 87 Ca -0.00 -2.31 0.06 0.00 0.82 0.00 0.00 66.70 65.27 3khj h VAL 87 Cb 0.14 2.97 -0.06 0.00 -1.52 0.00 0.00 31.29 32.82 3khj h VAL 87 CO 0.01 0.53 0.64 0.11 0.02 0.00 0.00 177.57 178.88 3khj h LYS 88 N -0.92 1.16 -0.01 1.57 1.79 -1.09 -1.49 116.57 117.58 3khj h LYS 88 Ca -0.14 -0.07 0.00 0.00 -2.18 0.00 0.00 60.65 58.26 3khj h LYS 88 Cb 1.18 -0.26 0.00 0.00 -1.58 0.00 0.00 32.23 31.57 3khj h LYS 88 CO -0.05 0.77 0.00 0.09 -1.08 0.00 0.00 179.45 179.17 3khj n ASN 89 N -4.49 0.53 -2.02 0.86 3.02 -0.84 -1.54 115.26 110.78 3khj n ASN 89 Ca 0.15 -1.18 -0.20 0.00 -0.03 0.00 0.00 54.58 53.31 3khj n ASN 89 Cb 0.16 -0.00 0.15 0.00 -0.61 0.00 0.00 39.78 39.47 3khj n ASN 89 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 3khj n SER 90 N -0.58 3.62 0.00 6.41 7.64 -0.56 -4.75 113.62 125.40 3khj n SER 90 Ca 0.22 -3.33 0.00 0.00 1.01 0.00 0.00 58.87 56.77 3khj n SER 90 Cb 0.19 -0.78 0.00 0.00 -1.01 0.00 0.00 64.21 62.61 3khj n SER 90 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3khj n GLY 91 N -0.86 0.95 3.94 0.23 0.00 -1.24 -4.71 105.19 103.49 3khj n GLY 91 Ca 0.50 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.20 3khj n GLY 91 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3khj n GLY 92 N 0.00 -0.45 3.77 -0.02 0.00 -0.59 -4.89 105.19 103.01 3khj n GLY 92 Ca 0.00 0.10 -0.38 0.00 0.00 0.00 0.00 46.02 45.74 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 -6.89 4.31 0.33 0.99 1.43 -1.25 -5.02 118.68 112.57 3khj s LEU 135 Ca 0.62 2.08 -0.28 0.00 -1.03 0.00 0.00 54.13 55.52 3khj s LEU 135 Cb -0.34 -3.98 -0.09 0.00 0.03 0.00 0.00 46.19 41.80 3khj s LEU 135 CO 0.77 -0.31 1.15 -0.13 0.23 0.00 0.00 176.35 178.06 3khj s ARG 136 N -2.08 4.42 -0.05 1.70 0.52 -1.26 -4.37 118.95 117.83 3khj s ARG 136 Ca 0.52 1.87 -0.15 0.00 -0.52 0.00 0.00 55.73 57.46 3khj s ARG 136 Cb -0.25 -3.00 0.03 0.00 0.52 0.00 0.00 34.95 32.25 3khj s ARG 136 CO 0.31 -0.01 0.33 0.54 0.02 0.00 0.00 175.30 176.49 3khj s VAL 137 N -1.25 0.04 0.28 3.52 0.11 -1.26 -4.61 120.40 117.23 3khj s VAL 137 Ca 0.49 -0.33 0.09 0.00 -2.93 0.00 0.00 61.98 59.30 3khj s VAL 137 Cb -0.32 -0.59 -0.06 0.00 -1.53 0.00 0.00 36.38 33.88 3khj s VAL 137 CO 0.42 -0.18 -0.12 -0.83 -3.33 0.00 0.00 175.10 171.05 3khj s GLY 138 N -0.91 1.86 -0.07 6.54 0.00 -0.77 -0.82 107.32 113.15 3khj s GLY 138 Ca -0.10 -1.90 -0.07 0.00 0.00 0.00 0.00 44.72 42.65 3khj s GLY 138 CO 0.03 -1.91 0.19 0.00 0.00 0.00 0.00 173.10 171.41 3khj s ALA 139 N -2.77 -0.47 0.14 3.20 0.00 -0.94 -0.71 121.76 120.22 3khj s ALA 139 Ca 0.29 0.49 -0.17 0.00 0.00 0.00 0.00 51.96 52.57 3khj s ALA 139 Cb 0.00 -0.28 -0.07 0.00 0.00 0.00 0.00 23.12 22.77 3khj s ALA 139 CO 0.13 -0.10 0.60 0.00 0.00 0.00 0.00 175.76 176.39 3khj s ALA 140 N -0.03 3.54 0.18 0.00 0.00 -0.19 -0.90 121.76 124.37 3khj s ALA 140 Ca -0.01 -0.00 0.03 0.00 0.00 0.00 0.00 51.96 51.97 3khj s ALA 140 Cb -0.02 -2.63 -0.05 0.00 0.00 0.00 0.00 23.12 20.42 3khj s ALA 140 CO 0.00 0.41 -0.03 0.96 0.00 0.00 0.00 175.76 177.10 3khj s ILE 141 N -1.37 0.94 0.00 0.00 -4.36 -0.79 -4.26 121.20 111.36 3khj s ILE 141 Ca 0.36 -2.02 0.00 0.00 -0.26 0.00 0.00 60.65 58.73 3khj s ILE 141 Cb -0.17 -2.11 0.00 0.00 1.25 0.00 0.00 42.46 41.43 3khj s ILE 141 CO 0.20 -0.51 0.00 0.61 0.24 0.00 0.00 174.94 175.47 3khj n GLY 142 N -0.28 2.97 3.77 6.27 0.00 -1.26 -0.93 105.19 115.72 3khj n GLY 142 Ca -0.07 -2.11 -0.41 0.00 0.00 0.00 0.00 46.02 43.42 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 0.85 2.17 0.00 1.61 -7.23 -1.26 -3.07 120.40 113.47 3khj s VAL 143 Ca 0.00 0.16 0.00 0.00 -1.81 0.00 0.00 61.98 60.33 3khj s VAL 143 Cb 0.00 -3.10 0.00 0.00 0.56 0.00 0.00 36.38 33.84 3khj s VAL 143 CO 0.00 0.03 0.00 0.59 -0.31 0.00 0.00 175.10 175.41 3khj n ASN 144 N 1.07 -2.24 -3.42 4.85 4.13 -1.26 -4.87 115.26 113.52 3khj n ASN 144 Ca 0.03 0.00 -0.40 0.00 1.68 0.00 0.00 54.58 55.89 3khj n ASN 144 Cb 0.39 -2.37 -0.02 0.00 -1.54 0.00 0.00 39.78 36.24 3khj n ASN 144 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 3khj n GLU 145 N -1.09 3.89 -0.15 3.52 1.02 -1.17 -4.61 120.64 122.05 3khj n GLU 145 Ca 0.00 -2.65 -0.12 0.00 -0.02 0.00 0.00 57.16 54.37 3khj n GLU 145 Cb 0.17 -2.80 -0.01 0.00 -0.02 0.00 0.00 31.44 28.78 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 3.00 1.27 -0.38 -3.67 1.08 -1.89 -2.97 117.51 113.96 3khj h ILE 146 Ca 0.78 -1.40 -0.10 0.00 -0.39 0.00 0.00 64.86 63.75 3khj h ILE 146 Cb 0.33 1.19 -0.01 0.00 -3.07 0.00 0.00 36.82 35.26 3khj h ILE 146 CO 1.70 0.48 -0.15 -0.08 -0.69 0.00 0.00 178.15 179.41 3khj h GLU 147 N 0.80 0.77 -0.44 2.37 4.57 -2.00 -0.93 114.58 119.73 3khj h GLU 147 Ca 0.10 -0.33 0.05 0.00 -1.18 0.00 0.00 59.36 58.00 3khj h GLU 147 Cb 0.82 -0.03 -0.04 0.00 -0.16 0.00 0.00 28.75 29.33 3khj h GLU 147 CO 0.07 0.94 0.19 -0.09 -1.18 0.00 0.00 179.01 178.95 3khj h ARG 148 N 0.57 0.38 -0.60 1.92 2.43 -1.94 -1.80 114.38 115.35 3khj h ARG 148 Ca 0.09 -0.02 0.01 0.00 -0.81 0.00 0.00 59.98 59.24 3khj h ARG 148 Cb 0.70 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 30.13 3khj h ARG 148 CO 0.05 0.25 0.39 0.00 -1.51 0.00 0.00 179.97 179.15 3khj h ALA 149 N 1.26 0.76 -0.47 2.80 0.00 -1.34 -1.72 119.26 120.54 3khj h ALA 149 Ca 0.20 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.10 3khj h ALA 149 Cb 0.15 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 3khj h ALA 149 CO -0.17 0.18 0.27 1.57 0.00 0.00 0.00 179.25 181.10 3khj h LYS 150 N 0.80 0.53 -0.17 0.00 -0.00 -0.64 -0.71 116.57 116.39 3khj h LYS 150 Ca 0.22 -0.03 -0.13 0.00 -0.00 0.00 0.00 60.65 60.70 3khj h LYS 150 Cb -0.08 -0.12 -0.01 0.00 -0.00 0.00 0.00 32.23 32.02 3khj h LYS 150 CO -0.05 0.35 -0.47 -0.07 -0.00 0.00 0.00 179.45 179.21 3khj h LEU 151 N 0.54 0.46 -0.69 7.07 3.38 -1.20 -2.45 115.31 122.42 3khj h LEU 151 Ca 0.19 -0.22 -0.11 0.00 0.09 0.00 0.00 57.88 57.84 3khj h LEU 151 Cb 0.04 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 3khj h LEU 151 CO -0.10 0.86 -0.14 -0.07 0.09 0.00 0.00 178.44 179.08 3khj h LEU 152 N 0.34 0.87 -0.88 1.67 3.38 -0.95 -1.06 115.31 118.68 3khj h LEU 152 Ca 0.02 -0.29 -0.11 0.00 0.09 0.00 0.00 57.88 57.60 3khj h LEU 152 Cb 0.96 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.46 3khj h LEU 152 CO 0.08 1.01 -0.34 0.58 0.09 0.00 0.00 178.44 179.87 3khj h VAL 153 N 0.78 1.29 -0.38 1.22 2.07 -1.03 -1.80 116.25 118.40 3khj h VAL 153 Ca 0.12 -1.42 -0.13 0.00 0.82 0.00 0.00 66.70 66.09 3khj h VAL 153 Cb 0.66 1.50 -0.01 0.00 -1.52 0.00 0.00 31.29 31.92 3khj h VAL 153 CO 0.05 0.44 -0.29 -0.33 0.02 0.00 0.00 177.57 177.46 3khj h GLU 154 N 0.36 0.80 0.00 1.57 5.08 -1.29 -2.20 114.58 118.91 3khj h GLU 154 Ca 0.04 -0.36 0.00 0.00 -1.00 0.00 0.00 59.36 58.04 3khj h GLU 154 Cb 0.77 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.00 3khj h GLU 154 CO 0.06 0.99 0.00 0.00 -1.00 0.00 0.00 179.01 179.06 3khj n ALA 155 N -2.51 1.74 -1.40 3.43 0.00 -0.42 -4.84 120.51 116.51 3khj n ALA 155 Ca -0.01 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.38 3khj n ALA 155 Cb 0.48 -1.16 0.00 0.00 0.00 0.00 0.00 19.45 18.77 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 -0.44 0.51 3.76 0.00 0.00 -0.83 -4.70 105.19 103.49 3khj n GLY 156 Ca 0.06 -0.87 -0.39 0.00 0.00 0.00 0.00 46.02 44.82 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 2.09 -0.06 1.61 0.11 -0.71 -4.91 120.40 116.54 3khj s VAL 157 Ca 0.00 0.08 0.07 0.00 -2.93 0.00 0.00 61.98 59.19 3khj s VAL 157 Cb 0.00 -3.04 -0.24 0.00 -1.53 0.00 0.00 36.38 31.57 3khj s VAL 157 CO 0.00 0.00 0.60 0.44 -3.33 0.00 0.00 175.10 172.81 3khj h ASP 158 N 1.87 0.13 -3.80 3.54 5.19 -1.32 -3.45 116.42 118.58 3khj h ASP 158 Ca -0.51 -0.28 -0.23 0.00 -0.62 0.00 0.00 57.03 55.39 3khj h ASP 158 Cb 1.28 -0.04 -0.28 0.00 0.18 0.00 0.00 39.33 40.47 3khj h ASP 158 CO 0.59 1.25 -0.72 -0.69 -3.12 0.00 0.00 179.24 176.55 3khj s VAL 159 N -2.59 0.01 -0.18 -1.35 1.01 -1.19 -4.40 120.40 111.71 3khj s VAL 159 Ca -0.10 -0.05 -0.08 0.00 0.00 0.00 0.00 61.98 61.76 3khj s VAL 159 Cb 0.08 -0.03 -0.04 0.00 0.00 0.00 0.00 36.38 36.39 3khj s VAL 159 CO 0.81 -0.02 0.09 -0.63 0.00 0.00 0.00 175.10 175.34 3khj s ILE 160 N -0.08 5.01 -0.54 2.22 -1.09 -0.78 -2.20 121.20 123.74 3khj s ILE 160 Ca -0.01 0.04 -0.08 0.00 -2.23 0.00 0.00 60.65 58.38 3khj s ILE 160 Cb -0.01 -3.26 0.14 0.00 -1.58 0.00 0.00 42.46 37.76 3khj s ILE 160 CO -0.00 0.47 0.40 -0.69 -1.23 0.00 0.00 174.94 173.89 3khj s VAL 161 N 0.25 4.19 -0.63 2.92 1.01 -0.08 -0.99 120.40 127.07 3khj s VAL 161 Ca 0.05 -2.13 -0.27 0.00 0.00 0.00 0.00 61.98 59.64 3khj s VAL 161 Cb -0.12 -3.74 -0.01 0.00 0.00 0.00 0.00 36.38 32.51 3khj s VAL 161 CO -0.00 -0.82 1.78 -0.22 0.00 0.00 0.00 175.10 175.84 3khj s LEU 162 N 0.91 3.27 -0.19 3.92 0.20 0.57 -1.88 118.68 125.48 3khj s LEU 162 Ca 0.10 0.23 -0.12 0.00 0.69 0.00 0.00 54.13 55.02 3khj s LEU 162 Cb -0.23 -2.54 -0.05 0.00 -0.43 0.00 0.00 46.19 42.95 3khj s LEU 162 CO -0.03 -2.30 0.23 -1.81 -0.29 0.00 0.00 176.35 172.15 3khj s ASP 163 N 7.49 6.32 0.04 3.68 1.01 -0.10 -2.43 116.67 132.68 3khj s ASP 163 Ca 0.63 0.36 -0.11 0.00 0.71 0.00 0.00 52.55 54.13 3khj s ASP 163 Cb -0.12 -2.14 0.01 0.00 1.01 0.00 0.00 42.92 41.68 3khj s ASP 163 CO 0.20 0.11 0.24 -0.55 0.21 0.00 0.00 175.17 175.38 3khj s SER 164 N 0.56 -0.04 0.38 0.27 0.15 -0.78 -4.40 113.70 109.83 3khj s SER 164 Ca 0.13 -0.29 0.14 0.00 0.70 0.00 0.00 55.95 56.63 3khj s SER 164 Cb -0.12 0.32 0.74 0.00 -1.71 0.00 0.00 66.02 65.24 3khj s SER 164 CO 0.02 -0.58 1.82 0.00 1.20 0.00 0.00 173.24 175.70 3khj h ALA 165 N 3.37 1.32 -2.84 5.45 0.00 -1.90 -1.11 119.26 123.55 3khj h ALA 165 Ca -0.32 -0.34 -0.59 0.00 0.00 0.00 0.00 54.91 53.66 3khj h ALA 165 Cb 1.19 -0.06 -0.40 0.00 0.00 0.00 0.00 17.79 18.53 3khj h ALA 165 CO 0.47 0.46 -0.79 -1.58 0.00 0.00 0.00 179.25 177.82 3khj s HIS 166 N -4.11 1.32 -0.11 0.00 5.65 -1.26 -4.58 115.29 112.20 3khj s HIS 166 Ca -0.02 -1.89 0.29 0.00 0.25 0.00 0.00 55.06 53.69 3khj s HIS 166 Cb 0.14 -1.41 1.33 0.00 -1.18 0.00 0.00 32.58 31.46 3khj s HIS 166 CO 0.72 -0.82 1.87 0.78 -0.65 0.00 0.00 174.74 176.64 3khj h GLY 167 N 7.18 0.00 -5.55 1.59 0.00 -1.32 -3.31 103.07 101.66 3khj h GLY 167 Ca -0.02 0.00 -0.72 0.00 0.00 0.00 0.00 47.33 46.59 3khj h GLY 167 CO 0.39 0.00 1.98 1.57 0.00 0.00 0.00 176.54 180.48 3khj n HIS 168 N -2.60 2.49 -4.38 5.60 -0.00 -1.26 -4.69 115.22 110.38 3khj n HIS 168 Ca 0.00 -2.67 -0.25 0.00 0.46 0.00 0.00 57.72 55.26 3khj n HIS 168 Cb 0.19 -1.70 -0.09 0.00 -0.12 0.00 0.00 29.99 28.27 3khj n HIS 168 CO 0.00 0.00 0.00 -1.12 0.46 0.00 0.00 176.34 175.68 3khj s SER 169 N 0.16 3.96 0.13 0.26 0.01 -1.25 -5.04 113.70 111.94 3khj s SER 169 Ca 0.53 -0.80 -0.18 0.00 1.31 0.00 0.00 55.95 56.81 3khj s SER 169 Cb 0.22 -0.53 -0.04 0.00 0.21 0.00 0.00 66.02 65.88 3khj s SER 169 CO -0.12 0.06 1.78 0.25 0.41 0.00 0.00 173.24 175.62 3khj h LEU 170 N 2.47 0.32 -1.20 2.44 6.46 -1.94 -2.53 115.31 121.33 3khj h LEU 170 Ca -0.44 -0.02 -0.05 0.00 -0.12 0.00 0.00 57.88 57.26 3khj h LEU 170 Cb 1.24 -0.08 -0.02 0.00 -0.73 0.00 0.00 40.66 41.07 3khj h LEU 170 CO 0.57 0.24 0.06 0.78 -0.62 0.00 0.00 178.44 179.47 3khj h ASN 171 N 0.37 0.57 -0.20 1.25 -0.26 -1.97 -1.83 115.58 113.52 3khj h ASN 171 Ca 0.10 -0.10 -0.05 0.00 -0.56 0.00 0.00 56.30 55.69 3khj h ASN 171 Cb -0.03 -0.15 -0.01 0.00 -1.06 0.00 0.00 38.32 37.07 3khj h ASN 171 CO -0.02 0.60 -0.06 0.40 -1.06 0.00 0.00 177.43 177.29 3khj h ILE 172 N 0.59 1.29 -0.67 2.81 1.08 -1.85 -2.16 117.51 118.60 3khj h ILE 172 Ca 0.13 -1.07 -0.02 0.00 -0.39 0.00 0.00 64.86 63.51 3khj h ILE 172 Cb 0.29 1.58 -0.03 0.00 -3.07 0.00 0.00 36.82 35.59 3khj h ILE 172 CO 0.00 0.32 0.33 0.40 -0.69 0.00 0.00 178.15 178.52 3khj h ILE 173 N 0.11 1.22 0.00 -0.67 2.04 -1.15 -0.93 117.51 118.13 3khj h ILE 173 Ca 0.05 -0.61 -0.12 0.00 1.00 0.00 0.00 64.86 65.18 3khj h ILE 173 Cb 0.52 0.40 -0.02 0.00 -0.74 0.00 0.00 36.82 36.98 3khj h ILE 173 CO 0.02 0.26 -0.56 0.08 0.00 0.00 0.00 178.15 177.95 3khj h ARG 174 N 0.92 0.00 -0.49 2.37 0.11 -1.39 -1.90 114.38 114.00 3khj h ARG 174 Ca 0.23 0.00 -0.13 0.00 0.10 0.00 0.00 59.98 60.18 3khj h ARG 174 Cb 0.10 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.17 3khj h ARG 174 CO -0.03 0.56 -0.21 1.15 0.10 0.00 0.00 179.97 181.55 3khj h THR 175 N 0.00 1.27 -0.10 0.08 2.02 -1.04 -1.10 112.91 114.04 3khj h THR 175 Ca -0.01 -1.37 -0.00 0.00 0.77 0.00 0.00 66.41 65.80 3khj h THR 175 Cb 1.12 1.11 -0.00 0.00 -1.74 0.00 0.00 68.15 68.64 3khj h THR 175 CO 0.07 0.48 0.06 0.25 0.37 0.00 0.00 175.52 176.75 3khj h LEU 176 N 0.86 0.12 -0.97 2.58 6.46 -1.03 -1.90 115.31 121.43 3khj h LEU 176 Ca 0.11 -0.05 -0.09 0.00 -0.12 0.00 0.00 57.88 57.73 3khj h LEU 176 Cb 0.79 -0.03 -0.01 0.00 -0.73 0.00 0.00 40.66 40.67 3khj h LEU 176 CO 0.07 0.13 -0.27 0.11 -0.62 0.00 0.00 178.44 177.86 3khj h LYS 177 N 0.10 0.42 -0.03 1.25 1.57 -1.29 -1.98 116.57 116.62 3khj h LYS 177 Ca 0.04 -0.16 -0.15 0.00 -1.87 0.00 0.00 60.65 58.51 3khj h LYS 177 Cb 0.03 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.30 3khj h LYS 177 CO -0.01 0.66 -0.65 1.49 -0.57 0.00 0.00 179.45 180.37 3khj h GLU 178 N 0.37 0.11 0.09 3.15 4.81 -1.12 -2.34 114.58 119.65 3khj h GLU 178 Ca 0.05 -0.08 -0.00 0.00 -0.13 0.00 0.00 59.36 59.19 3khj h GLU 178 Cb 0.67 0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.07 3khj h GLU 178 CO 0.05 0.72 -0.04 0.82 -0.73 0.00 0.00 179.01 179.83 3khj h ILE 179 N 0.08 1.14 -0.42 2.32 2.04 -1.04 -2.95 117.51 118.68 3khj h ILE 179 Ca -0.01 -0.92 0.02 0.00 1.00 0.00 0.00 64.86 64.95 3khj h ILE 179 Cb 1.16 1.73 -0.02 0.00 -0.74 0.00 0.00 36.82 38.95 3khj h ILE 179 CO 0.09 0.22 0.28 0.11 0.00 0.00 0.00 178.15 178.85 3khj h LYS 180 N -0.55 0.47 0.00 2.37 1.79 -1.37 0.14 116.57 119.42 3khj h LYS 180 Ca -0.01 -0.03 -0.10 0.00 -2.18 0.00 0.00 60.65 58.33 3khj h LYS 180 Cb 0.46 -0.10 -0.01 0.00 -1.58 0.00 0.00 32.23 30.99 3khj h LYS 180 CO 0.02 0.31 -0.45 0.66 -1.08 0.00 0.00 179.45 178.90 3khj h SER 181 N 0.48 0.00 0.00 0.86 4.64 -1.47 -3.35 113.55 114.70 3khj h SER 181 Ca 0.17 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.45 3khj h SER 181 Cb 0.07 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.16 3khj h SER 181 CO -0.04 0.45 -1.71 0.29 -0.87 0.00 0.00 176.83 174.95 3khj n LYS 182 N -3.29 0.64 -3.85 4.77 5.02 -0.85 -5.04 118.16 115.55 3khj n LYS 182 Ca 0.01 -0.12 -0.09 0.00 -2.02 0.00 0.00 58.31 56.10 3khj n LYS 182 Cb 0.67 -1.35 -0.07 0.00 -0.02 0.00 0.00 35.03 34.26 3khj n LYS 182 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3khj s MET 183 N -2.92 0.94 -0.41 1.97 0.23 0.44 -5.09 119.30 114.46 3khj s MET 183 Ca -0.06 -0.98 -0.07 0.00 -1.03 0.00 0.00 55.69 53.55 3khj s MET 183 Cb 0.09 0.36 0.08 0.00 -1.53 0.00 0.00 34.83 33.83 3khj s MET 183 CO 0.60 -0.32 0.23 1.21 -2.03 0.00 0.00 175.02 174.71 3khj s ASN 184 N -2.88 5.50 -0.11 -1.18 3.84 -1.26 -4.30 114.94 114.55 3khj s ASN 184 Ca 0.07 -1.61 -0.30 0.00 0.21 0.00 0.00 52.86 51.24 3khj s ASN 184 Cb 0.04 -1.93 0.10 0.00 -0.55 0.00 0.00 41.25 38.90 3khj s ASN 184 CO -0.09 -0.52 0.82 -0.51 -2.79 0.00 0.00 177.10 174.01 3khj s ILE 185 N 1.35 0.00 0.03 -5.21 1.10 -1.26 -5.09 121.20 112.12 3khj s ILE 185 Ca 0.03 0.00 -0.30 0.00 -0.51 0.00 0.00 60.65 59.87 3khj s ILE 185 Cb -0.23 -1.00 -0.05 0.00 0.15 0.00 0.00 42.46 41.33 3khj s ILE 185 CO 0.00 0.00 1.14 -1.81 -2.11 0.00 0.00 174.94 172.16 3khj s ASP 186 N -1.04 7.15 -0.16 4.50 1.11 -1.26 -4.98 116.67 122.00 3khj s ASP 186 Ca -0.06 1.90 0.01 0.00 0.18 0.00 0.00 52.55 54.58 3khj s ASP 186 Cb -0.01 -2.57 0.01 0.00 1.07 0.00 0.00 42.92 41.42 3khj s ASP 186 CO 0.06 -0.42 -0.18 -0.69 1.18 0.00 0.00 175.17 175.12 3khj s VAL 187 N 1.15 2.37 -0.16 -1.27 1.01 -1.26 -1.86 120.40 120.38 3khj s VAL 187 Ca 0.57 -0.86 -0.18 0.00 0.00 0.00 0.00 61.98 61.51 3khj s VAL 187 Cb -0.27 -1.99 -0.04 0.00 0.00 0.00 0.00 36.38 34.08 3khj s VAL 187 CO 0.28 0.53 0.47 -0.63 0.00 0.00 0.00 175.10 175.74 3khj s ILE 188 N 0.97 5.17 -0.08 2.22 1.01 -0.16 -0.86 121.20 129.46 3khj s ILE 188 Ca -0.03 0.89 0.03 0.00 0.00 0.00 0.00 60.65 61.54 3khj s ILE 188 Cb -0.15 -3.80 -0.01 0.00 0.01 0.00 0.00 42.46 38.51 3khj s ILE 188 CO -0.04 0.26 -0.19 -0.69 0.00 0.00 0.00 174.94 174.29 3khj s VAL 189 N 1.10 2.62 0.28 2.92 1.01 -0.36 -0.32 120.40 127.66 3khj s VAL 189 Ca 0.23 -0.85 -0.14 0.00 0.00 0.00 0.00 61.98 61.23 3khj s VAL 189 Cb -0.15 -2.03 0.05 0.00 0.00 0.00 0.00 36.38 34.26 3khj s VAL 189 CO 0.09 0.56 0.70 0.61 0.00 0.00 0.00 175.10 177.06 3khj n GLY 190 N 3.04 1.05 3.85 4.51 0.00 -1.02 -1.03 105.19 115.59 3khj n GLY 190 Ca -0.18 -1.19 -0.33 0.00 0.00 0.00 0.00 46.02 44.33 3khj n GLY 190 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3khj s ASN 191 N -2.78 6.03 0.24 1.61 -0.87 -0.42 -1.87 114.94 116.88 3khj s ASN 191 Ca 0.14 0.23 0.02 0.00 -1.57 0.00 0.00 52.86 51.68 3khj s ASN 191 Cb -0.04 -1.81 -0.05 0.00 -0.02 0.00 0.00 41.25 39.33 3khj s ASN 191 CO 0.08 0.24 0.06 0.68 -2.57 0.00 0.00 177.10 175.60 3khj s VAL 192 N -1.31 0.68 0.00 1.60 -7.23 -0.88 -1.21 120.40 112.06 3khj s VAL 192 Ca 0.27 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.44 3khj s VAL 192 Cb -0.12 -2.48 0.00 0.00 0.56 0.00 0.00 36.38 34.33 3khj s VAL 192 CO 0.19 -0.16 0.00 1.33 -0.31 0.00 0.00 175.10 176.15 3khj n VAL 193 N -0.42 0.00 -4.32 1.32 0.24 -1.26 -2.34 118.33 111.55 3khj n VAL 193 Ca -0.02 0.00 -0.24 0.00 -2.04 0.00 0.00 64.34 62.04 3khj n VAL 193 Cb 0.65 1.24 -0.08 0.00 -1.47 0.00 0.00 33.84 34.18 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 0.00 3.24 0.20 3.34 -4.23 -1.26 -4.65 115.64 112.28 3khj s THR 194 Ca 0.00 -1.93 0.10 0.00 -1.18 0.00 0.00 61.69 58.68 3khj s THR 194 Cb 0.00 -2.70 -0.07 0.00 1.34 0.00 0.00 72.50 71.07 3khj s THR 194 CO 0.00 -0.31 1.50 1.05 -0.54 0.00 0.00 174.62 176.32 3khj h GLU 195 N 2.19 0.00 -0.46 3.99 9.09 -1.94 -2.83 114.58 124.63 3khj h GLU 195 Ca -0.44 0.00 -0.12 0.00 0.05 0.00 0.00 59.36 58.85 3khj h GLU 195 Cb 1.24 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.33 3khj h GLU 195 CO 0.59 0.72 -0.18 0.93 0.05 0.00 0.00 179.01 181.13 3khj h GLU 196 N 0.00 0.93 -0.37 1.06 3.07 -1.96 -2.64 114.58 114.67 3khj h GLU 196 Ca -0.01 -0.38 -0.03 0.00 -0.50 0.00 0.00 59.36 58.44 3khj h GLU 196 Cb 1.32 -0.04 -0.02 0.00 -0.84 0.00 0.00 28.75 29.18 3khj h GLU 196 CO 0.09 1.04 0.11 0.00 -1.40 0.00 0.00 179.01 178.85 3khj h ALA 197 N 0.86 0.48 -0.65 3.43 0.00 -1.97 -2.75 119.26 118.65 3khj h ALA 197 Ca 0.11 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3khj h ALA 197 Cb 0.74 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 3khj h ALA 197 CO 0.06 0.14 0.41 1.15 0.00 0.00 0.00 179.25 181.01 3khj h THR 198 N 0.45 1.18 -0.23 0.00 2.02 -1.49 -2.74 112.91 112.09 3khj h THR 198 Ca 0.12 -0.36 -0.00 0.00 0.77 0.00 0.00 66.41 66.93 3khj h THR 198 Cb 0.27 0.25 -0.01 0.00 -1.74 0.00 0.00 68.15 66.92 3khj h THR 198 CO -0.00 0.18 0.14 0.50 0.37 0.00 0.00 175.52 176.70 3khj h LYS 199 N 0.88 0.32 -0.76 6.66 3.64 -1.39 -2.20 116.57 123.73 3khj h LYS 199 Ca 0.24 -0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.54 3khj h LYS 199 Cb -0.06 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 31.66 3khj h LYS 199 CO -0.05 0.26 0.30 1.49 -2.27 0.00 0.00 179.45 179.18 3khj h GLU 200 N 0.28 1.13 -0.37 1.90 4.81 -1.36 -0.29 114.58 120.68 3khj h GLU 200 Ca 0.08 -0.20 -0.11 0.00 -0.13 0.00 0.00 59.36 59.01 3khj h GLU 200 Cb 0.03 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.22 3khj h GLU 200 CO -0.02 0.92 -0.18 -0.07 -0.73 0.00 0.00 179.01 178.93 3khj h LEU 201 N 1.10 0.80 -0.73 1.64 3.38 -1.41 -1.97 115.31 118.13 3khj h LEU 201 Ca 0.25 -0.41 -0.03 0.00 0.09 0.00 0.00 57.88 57.78 3khj h LEU 201 Cb 0.22 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 3khj h LEU 201 CO -0.02 1.03 0.33 0.40 0.09 0.00 0.00 178.44 180.27 3khj h ILE 202 N 0.58 1.24 0.00 1.22 2.04 -1.12 -0.28 117.51 121.19 3khj h ILE 202 Ca 0.08 -0.72 -0.03 0.00 1.00 0.00 0.00 64.86 65.20 3khj h ILE 202 Cb 0.73 0.35 -0.00 0.00 -0.74 0.00 0.00 36.82 37.16 3khj h ILE 202 CO 0.05 0.30 -0.13 -0.33 0.00 0.00 0.00 178.15 178.04 3khj h GLU 203 N 1.04 0.00 -0.02 2.37 5.08 -0.95 -2.81 114.58 119.29 3khj h GLU 203 Ca 0.25 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.61 3khj h GLU 203 Cb 0.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.41 3khj h GLU 203 CO -0.03 0.13 -0.01 0.09 -1.00 0.00 0.00 179.01 178.20 3khj n ASN 204 N -4.35 2.16 0.00 1.42 4.13 -0.75 -4.95 115.26 112.92 3khj n ASN 204 Ca -0.03 -1.71 0.00 0.00 1.68 0.00 0.00 54.58 54.52 3khj n ASN 204 Cb 0.20 0.01 0.00 0.00 -1.54 0.00 0.00 39.78 38.45 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 1.26 1.47 3.71 7.41 0.00 -0.77 -4.55 105.19 113.71 3khj n GLY 205 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 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 3.56 -0.57 4.61 0.00 -0.19 -4.77 121.76 122.40 3khj s ALA 206 Ca 0.00 1.00 0.23 0.00 0.00 0.00 0.00 51.96 53.19 3khj s ALA 206 Cb 0.00 -3.54 0.05 0.00 0.00 0.00 0.00 23.12 19.62 3khj s ALA 206 CO 0.00 -0.69 1.02 -0.25 0.00 0.00 0.00 175.76 175.85 3khj n ASP 207 N 4.42 0.61 -3.80 0.00 9.92 -0.04 -4.59 116.55 123.07 3khj n ASP 207 Ca 0.12 -0.16 -0.12 0.00 -0.53 0.00 0.00 54.79 54.09 3khj n ASP 207 Cb 0.43 0.79 -0.10 0.00 -0.64 0.00 0.00 41.12 41.61 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 -3.72 -0.10 -0.18 0.44 0.00 -0.90 -1.77 107.32 101.09 3khj s GLY 208 Ca 0.03 0.26 0.00 0.00 0.00 0.00 0.00 44.72 45.02 3khj s GLY 208 CO 0.80 0.10 -0.18 -0.42 0.00 0.00 0.00 173.10 173.40 3khj s ILE 209 N -1.06 2.23 -0.23 0.90 -1.09 -0.82 -1.22 121.20 119.91 3khj s ILE 209 Ca -0.11 -0.88 -0.12 0.00 -2.23 0.00 0.00 60.65 57.30 3khj s ILE 209 Cb -0.05 -1.95 -0.05 0.00 -1.58 0.00 0.00 42.46 38.83 3khj s ILE 209 CO 0.03 0.53 0.24 -0.75 -1.23 0.00 0.00 174.94 173.75 3khj s LYS 210 N 1.29 4.09 -0.15 2.79 2.20 -0.20 -0.27 119.74 129.49 3khj s LYS 210 Ca 0.04 -0.12 -0.02 0.00 -0.36 0.00 0.00 55.97 55.51 3khj s LYS 210 Cb -0.13 -3.55 -0.02 0.00 -1.51 0.00 0.00 37.83 32.62 3khj s LYS 210 CO -0.11 -0.00 -0.09 0.08 -0.36 0.00 0.00 175.35 174.87 3khj s VAL 211 N 1.23 3.39 0.00 4.02 1.01 0.13 -2.07 120.40 128.11 3khj s VAL 211 Ca 0.11 -0.53 0.00 0.00 0.00 0.00 0.00 61.98 61.56 3khj s VAL 211 Cb -0.14 -2.46 0.00 0.00 0.00 0.00 0.00 36.38 33.78 3khj s VAL 211 CO 0.06 0.50 0.00 0.61 0.00 0.00 0.00 175.10 176.27 3khj n GLY 212 N 3.66 0.55 3.04 4.51 0.00 -0.99 -0.33 105.19 115.63 3khj n GLY 212 Ca -0.18 0.30 -0.31 0.00 0.00 0.00 0.00 46.02 45.83 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 2.21 0.00 -0.61 1.01 -1.26 -4.74 121.20 117.81 3khj s ILE 213 Ca 0.00 -2.02 0.00 0.00 0.00 0.00 0.00 60.65 58.63 3khj s ILE 213 Cb 0.00 -2.49 0.00 0.00 0.01 0.00 0.00 42.46 39.98 3khj s ILE 213 CO 0.00 -0.34 0.00 0.61 0.00 0.00 0.00 174.94 175.21 3khj n GLY 214 N 4.34 2.10 0.05 6.18 0.00 -1.26 -2.80 105.19 113.80 3khj n GLY 214 Ca -0.04 -0.65 0.13 0.00 0.00 0.00 0.00 46.02 45.46 3khj n GLY 214 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3khj n PRO 215 N 0.00 0.18 -1.67 1.61 -0.04 -1.26 -4.77 135.00 129.05 3khj n PRO 215 Ca 0.00 0.10 -0.47 0.00 -0.04 0.00 0.00 63.50 63.09 3khj n PRO 215 Cb 0.00 -1.66 -0.04 0.00 -0.04 0.00 0.00 33.50 31.76 3khj n PRO 215 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3khj n GLY 216 N 1.39 1.13 0.46 0.55 0.00 -1.26 -3.28 105.19 104.17 3khj n GLY 216 Ca 0.05 0.70 0.28 0.00 0.00 0.00 0.00 46.02 47.04 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 6.39 0.22 -0.36 1.61 4.64 -1.93 0.17 113.55 124.29 3khj h SER 217 Ca -0.46 0.04 0.00 0.00 -0.47 0.00 0.00 61.79 60.90 3khj h SER 217 Cb 1.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 3khj h SER 217 CO 0.89 0.05 0.00 0.00 -0.87 0.00 0.00 176.83 176.90 3khj n ILE 218 N -4.41 0.59 -3.01 0.95 0.13 -1.26 -4.99 119.36 107.35 3khj n ILE 218 Ca 0.24 -0.79 -0.37 0.00 -1.10 0.00 0.00 62.75 60.73 3khj n ILE 218 Cb 1.01 0.87 -0.06 0.00 -0.84 0.00 0.00 39.64 40.62 3khj n ILE 218 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 3khj n THR 220 N 0.92 1.06 0.00 0.00 -2.24 -1.26 -4.80 114.28 107.97 3khj n THR 220 Ca -0.02 -1.25 0.06 0.00 -2.27 0.00 0.00 64.05 60.57 3khj n THR 220 Cb 0.50 0.16 0.46 0.00 -2.10 0.00 0.00 70.33 69.35 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 2.46 1.05 0.00 4.28 2.02 -1.90 0.14 112.91 120.96 3khj h THR 221 Ca 0.00 -0.16 -0.03 0.00 0.77 0.00 0.00 66.41 66.98 3khj h THR 221 Cb 1.08 0.53 -0.00 0.00 -1.74 0.00 0.00 68.15 68.01 3khj h THR 221 CO 0.00 0.09 -0.16 0.03 0.37 0.00 0.00 175.52 175.84 3khj h ARG 222 N 0.47 0.00 0.03 6.66 3.08 -1.86 -1.61 114.38 121.15 3khj h ARG 222 Ca 0.17 0.00 -0.38 0.00 0.07 0.00 0.00 59.98 59.83 3khj h ARG 222 Cb 0.08 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.08 3khj h ARG 222 CO -0.04 0.16 -2.22 -0.89 -1.07 0.00 0.00 179.97 175.92 3khj n ILE 223 N -4.30 1.57 -0.01 2.04 5.41 -0.36 -2.72 119.36 120.99 3khj n ILE 223 Ca -0.02 -0.46 -0.17 0.00 1.00 0.00 0.00 62.75 63.09 3khj n ILE 223 Cb 0.23 -1.70 -0.09 0.00 -0.71 0.00 0.00 39.64 37.37 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 -0.40 1.35 0.00 1.39 2.07 -0.88 -3.38 116.25 116.41 3khj h VAL 224 Ca -0.55 -1.98 0.00 0.00 0.82 0.00 0.00 66.70 64.99 3khj h VAL 224 Cb 1.77 2.28 0.00 0.00 -1.52 0.00 0.00 31.29 33.81 3khj h VAL 224 CO -0.16 0.60 -1.49 0.00 0.02 0.00 0.00 177.57 176.54 3khj n ALA 225 N -2.58 2.57 -2.40 1.67 0.00 -0.66 -5.00 120.51 114.10 3khj n ALA 225 Ca -0.09 -0.31 -0.15 0.00 0.00 0.00 0.00 53.44 52.90 3khj n ALA 225 Cb 0.69 -0.44 0.00 0.00 0.00 0.00 0.00 19.45 19.70 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 1.74 -0.21 3.38 0.00 0.00 -0.89 -5.01 105.19 104.20 3khj n GLY 226 Ca -0.02 -0.24 -0.31 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.79 2.42 0.00 1.61 1.01 -1.18 -4.98 120.40 116.49 3khj s VAL 227 Ca 0.05 -1.17 0.00 0.00 0.00 0.00 0.00 61.98 60.86 3khj s VAL 227 Cb -0.02 -1.94 0.00 0.00 0.00 0.00 0.00 36.38 34.41 3khj s VAL 227 CO 0.07 0.44 0.00 0.61 0.00 0.00 0.00 175.10 176.22 3khj n GLY 228 N 1.95 2.97 2.81 4.51 0.00 -1.26 -3.68 105.19 112.48 3khj n GLY 228 Ca -0.16 -1.03 -0.22 0.00 0.00 0.00 0.00 46.02 44.61 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 0.41 0.28 1.61 1.01 -1.12 -5.05 120.40 115.55 3khj s VAL 229 Ca 0.00 0.05 -0.28 0.00 0.00 0.00 0.00 61.98 61.76 3khj s VAL 229 Cb 0.00 -0.53 -0.14 0.00 0.00 0.00 0.00 36.38 35.70 3khj s VAL 229 CO 0.00 0.24 0.87 -2.65 0.00 0.00 0.00 175.10 173.56 3khj n PRO 230 N 4.79 1.00 -0.29 2.72 -0.02 -1.26 -4.60 135.00 137.35 3khj n PRO 230 Ca -0.13 0.35 -0.04 0.00 -2.02 0.00 0.00 63.50 61.66 3khj n PRO 230 Cb 0.50 -1.64 0.07 0.00 -0.02 0.00 0.00 33.50 32.41 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 1.67 1.04 -0.02 -0.52 5.75 -1.93 -0.37 115.11 120.72 3khj h GLN 231 Ca -0.37 -0.07 -0.00 0.00 -0.15 0.00 0.00 58.65 58.06 3khj h GLN 231 Cb 1.37 -0.23 -0.00 0.00 1.07 0.00 0.00 27.48 29.68 3khj h GLN 231 CO 0.59 0.69 0.01 0.82 -2.65 0.00 0.00 178.83 178.30 3khj h ILE 232 N 1.06 1.03 -0.94 2.39 1.08 -1.76 -0.91 117.51 119.48 3khj h ILE 232 Ca 0.29 -0.10 0.00 0.00 -0.39 0.00 0.00 64.86 64.66 3khj h ILE 232 Cb -0.11 1.06 -0.05 0.00 -3.07 0.00 0.00 36.82 34.65 3khj h ILE 232 CO -0.06 0.03 0.59 0.74 -0.69 0.00 0.00 178.15 178.76 3khj h THR 233 N -0.00 1.25 -0.55 -0.27 2.02 -1.28 -1.20 112.91 112.87 3khj h THR 233 Ca 0.01 -0.50 -0.04 0.00 0.77 0.00 0.00 66.41 66.64 3khj h THR 233 Cb 0.03 -0.10 -0.02 0.00 -1.74 0.00 0.00 68.15 66.32 3khj h THR 233 CO -0.00 0.25 0.19 0.00 0.37 0.00 0.00 175.52 176.33 3khj h ALA 234 N 1.37 0.72 -0.43 6.16 0.00 -0.81 -1.20 119.26 125.08 3khj h ALA 234 Ca 0.34 -0.18 -0.14 0.00 0.00 0.00 0.00 54.91 54.92 3khj h ALA 234 Cb -0.10 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 3khj h ALA 234 CO -0.07 0.37 -0.30 0.82 0.00 0.00 0.00 179.25 180.07 3khj h ILE 235 N 0.77 1.27 -0.27 0.00 2.04 -0.88 -2.64 117.51 117.79 3khj h ILE 235 Ca 0.18 -1.47 0.02 0.00 1.00 0.00 0.00 64.86 64.59 3khj h ILE 235 Cb 0.25 1.25 -0.02 0.00 -0.74 0.00 0.00 36.82 37.56 3khj h ILE 235 CO -0.01 0.50 0.14 -0.33 0.00 0.00 0.00 178.15 178.45 3khj h GLU 236 N 0.80 0.29 0.18 2.37 5.08 -1.02 -0.78 114.58 121.49 3khj h GLU 236 Ca 0.09 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.42 3khj h GLU 236 Cb 0.88 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 30.06 3khj h GLU 236 CO 0.08 0.19 -0.10 0.87 -1.00 0.00 0.00 179.01 179.05 3khj h LYS 237 N 0.30 -0.26 0.00 2.33 1.57 -1.20 -2.88 116.57 116.43 3khj h LYS 237 Ca 0.11 0.02 -0.10 0.00 -1.87 0.00 0.00 60.65 58.80 3khj h LYS 237 Cb 0.02 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 3khj h LYS 237 CO -0.07 -0.17 -0.50 0.00 -0.57 0.00 0.00 179.45 178.14 3khj h SER 239 N 0.00 0.54 0.21 0.00 0.02 -1.08 -1.08 113.55 112.17 3khj h SER 239 Ca -0.00 -0.22 0.00 0.00 -0.84 0.00 0.00 61.79 60.73 3khj h SER 239 Cb 0.89 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 63.28 3khj h SER 239 CO 0.06 0.84 0.00 -1.54 -1.14 0.00 0.00 176.83 175.06 3khj n SER 240 N -4.06 0.33 -0.09 3.07 3.41 -1.09 -1.72 113.62 113.47 3khj n SER 240 Ca -0.01 0.63 -0.18 0.00 -0.26 0.00 0.00 58.87 59.05 3khj n SER 240 Cb 0.47 -0.68 -0.06 0.00 -0.26 0.00 0.00 64.21 63.68 3khj n SER 240 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 3khj n VAL 241 N -1.92 1.10 0.17 -3.33 0.31 -1.08 -4.72 118.33 108.85 3khj n VAL 241 Ca 0.00 -0.18 0.02 0.00 -0.01 0.00 0.00 64.34 64.17 3khj n VAL 241 Cb 0.08 -1.82 0.28 0.00 -0.91 0.00 0.00 33.84 31.47 3khj n VAL 241 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3khj h ALA 242 N -0.67 1.12 -0.11 3.52 0.00 -1.06 -2.86 119.26 119.20 3khj h ALA 242 Ca -0.39 -0.44 -0.08 0.00 0.00 0.00 0.00 54.91 54.00 3khj h ALA 242 Cb 1.29 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 3khj h ALA 242 CO -0.24 0.60 -0.29 0.66 0.00 0.00 0.00 179.25 179.98 3khj h SER 243 N 0.00 0.19 -0.64 0.00 4.64 -1.53 0.17 113.55 116.38 3khj h SER 243 Ca -0.00 -0.06 -0.04 0.00 -0.47 0.00 0.00 61.79 61.22 3khj h SER 243 Cb 0.90 -0.05 -0.03 0.00 -0.31 0.00 0.00 62.40 62.90 3khj h SER 243 CO 0.06 0.49 0.27 0.11 -0.87 0.00 0.00 176.83 176.89 3khj h LYS 244 N 0.17 0.97 -0.02 4.77 1.57 -1.73 -2.75 116.57 119.56 3khj h LYS 244 Ca 0.03 -0.16 0.00 0.00 -1.87 0.00 0.00 60.65 58.65 3khj h LYS 244 Cb 0.61 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.75 3khj h LYS 244 CO 0.04 0.79 -0.10 1.19 -0.57 0.00 0.00 179.45 180.80 3khj n PHE 245 N -4.31 0.00 -2.53 -1.35 3.01 -1.05 -4.95 117.46 106.27 3khj n PHE 245 Ca 0.06 0.00 -0.14 0.00 1.01 0.00 0.00 57.45 58.38 3khj n PHE 245 Cb 0.17 -0.03 0.01 0.00 -0.01 0.00 0.00 39.48 39.62 3khj n PHE 245 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3khj n GLY 246 N 1.28 -0.15 3.58 1.37 0.00 -0.63 -5.01 105.19 105.62 3khj n GLY 246 Ca 0.15 -0.24 -0.38 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.84 5.28 0.47 -0.61 -1.09 -0.05 -4.77 121.20 117.60 3khj s ILE 247 Ca 0.11 0.10 -0.24 0.00 -2.23 0.00 0.00 60.65 58.39 3khj s ILE 247 Cb -0.05 -3.54 -0.07 0.00 -1.58 0.00 0.00 42.46 37.21 3khj s ILE 247 CO 0.13 0.21 1.40 -2.84 -1.23 0.00 0.00 174.94 172.62 3khj s PRO 248 N 1.75 3.57 -0.21 2.79 0.02 -1.26 -4.38 135.00 137.28 3khj s PRO 248 Ca 0.07 2.35 -0.08 0.00 0.02 0.00 0.00 61.00 63.35 3khj s PRO 248 Cb -0.16 -2.56 -0.04 0.00 0.02 0.00 0.00 34.50 31.76 3khj s PRO 248 CO 0.11 -0.89 0.09 0.42 -0.33 0.00 0.00 177.00 176.40 3khj s ILE 249 N -1.23 4.92 -0.32 2.83 1.09 -1.26 -1.93 121.20 125.30 3khj s ILE 249 Ca 0.63 0.02 -0.14 0.00 -1.10 0.00 0.00 60.65 60.06 3khj s ILE 249 Cb -0.42 -3.25 -0.02 0.00 -1.06 0.00 0.00 42.46 37.70 3khj s ILE 249 CO 0.53 0.41 0.33 -0.63 -0.10 0.00 0.00 174.94 175.48 3khj s ILE 250 N 0.69 5.20 -0.31 2.92 1.09 0.63 -0.26 121.20 131.18 3khj s ILE 250 Ca 0.05 0.14 -0.27 0.00 -1.10 0.00 0.00 60.65 59.47 3khj s ILE 250 Cb -0.13 -3.74 0.01 0.00 -1.06 0.00 0.00 42.46 37.54 3khj s ILE 250 CO 0.02 0.02 0.98 0.00 -0.10 0.00 0.00 174.94 175.86 3khj s ALA 251 N 1.96 3.52 -0.23 9.38 0.00 0.53 0.18 121.76 137.11 3khj s ALA 251 Ca 0.11 -0.15 0.00 0.00 0.00 0.00 0.00 51.96 51.92 3khj s ALA 251 Cb -0.16 -3.55 0.03 0.00 0.00 0.00 0.00 23.12 19.44 3khj s ALA 251 CO 0.11 -1.36 -0.12 0.34 0.00 0.00 0.00 175.76 174.74 3khj s ASP 252 N 1.60 3.97 0.00 0.00 2.15 0.54 0.42 116.67 125.35 3khj s ASP 252 Ca 0.41 -0.90 0.00 0.00 0.43 0.00 0.00 52.55 52.49 3khj s ASP 252 Cb -0.13 -1.58 0.00 0.00 -0.30 0.00 0.00 42.92 40.91 3khj s ASP 252 CO 0.14 -0.10 0.00 0.61 -0.17 0.00 0.00 175.17 175.65 3khj n GLY 253 N 4.61 -1.52 0.00 2.66 0.00 -1.12 -4.38 105.19 105.45 3khj n GLY 253 Ca -0.17 -1.34 0.00 0.00 0.00 0.00 0.00 46.02 44.51 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 -0.32 1.13 3.60 -0.02 0.00 -1.21 -4.54 105.19 103.84 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 -2.21 3.70 -0.09 -0.61 -1.09 -1.26 -4.81 121.20 114.83 3khj s ILE 255 Ca 0.00 0.72 0.09 0.00 -2.23 0.00 0.00 60.65 59.24 3khj s ILE 255 Cb 0.00 -3.89 -0.13 0.00 -1.58 0.00 0.00 42.46 36.85 3khj s ILE 255 CO 0.00 -0.54 0.06 0.54 -1.23 0.00 0.00 174.94 173.77 3khj n ARG 256 N 8.15 2.08 -4.19 2.79 1.74 -1.26 -4.69 116.66 121.28 3khj n ARG 256 Ca 0.20 -0.02 -0.11 0.00 -0.77 0.00 0.00 57.85 57.14 3khj n ARG 256 Cb 0.47 -1.26 -0.10 0.00 -1.02 0.00 0.00 32.46 30.55 3khj n ARG 256 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 3khj s TYR 257 N -2.31 1.01 0.52 -1.55 1.51 -1.26 -5.01 117.35 110.26 3khj s TYR 257 Ca -0.05 -1.04 0.20 0.00 -1.01 0.00 0.00 57.07 55.17 3khj s TYR 257 Cb 0.04 -0.58 1.31 0.00 -0.11 0.00 0.00 41.96 42.61 3khj s TYR 257 CO 0.43 -0.27 2.08 0.66 -1.11 0.00 0.00 175.55 177.34 3khj h SER 258 N 2.83 0.01 0.25 2.29 4.64 -1.91 -1.38 113.55 120.29 3khj h SER 258 Ca -0.36 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 60.94 3khj h SER 258 Cb 1.19 -0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.27 3khj h SER 258 CO 0.63 0.01 -0.11 1.23 -0.87 0.00 0.00 176.83 177.72 3khj h GLY 259 N 0.01 0.00 1.68 -0.77 0.00 -1.92 -2.43 103.07 99.64 3khj h GLY 259 Ca 0.11 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.28 3khj h GLY 259 CO -0.00 0.00 -0.60 -0.55 0.00 0.00 0.00 176.54 175.39 3khj h ASP 260 N 0.00 0.37 0.03 0.19 3.32 -1.65 -2.92 116.42 115.76 3khj h ASP 260 Ca -0.00 -0.21 0.01 0.00 0.02 0.00 0.00 57.03 56.85 3khj h ASP 260 Cb 0.27 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.69 3khj h ASP 260 CO 0.01 0.89 -0.11 0.40 -1.72 0.00 0.00 179.24 178.71 3khj h ILE 261 N 0.25 0.74 -0.49 0.35 2.04 -1.51 -0.44 117.51 118.45 3khj h ILE 261 Ca -0.01 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.94 3khj h ILE 261 Cb 1.12 0.74 -0.07 0.00 -0.74 0.00 0.00 36.82 37.87 3khj h ILE 261 CO 0.10 0.00 0.08 1.23 0.00 0.00 0.00 178.15 179.56 3khj h GLY 262 N -0.20 0.57 0.83 5.37 0.00 -1.55 0.15 103.07 108.23 3khj h GLY 262 Ca 0.03 -0.01 0.02 0.00 0.00 0.00 0.00 47.33 47.37 3khj h GLY 262 CO -0.08 -0.08 0.02 0.50 0.00 0.00 0.00 176.54 176.89 3khj h LYS 263 N 0.21 0.07 -0.02 4.80 1.57 -1.30 0.34 116.57 122.23 3khj h LYS 263 Ca 0.24 -0.00 0.02 0.00 -1.87 0.00 0.00 60.65 59.04 3khj h LYS 263 Cb 0.33 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.61 3khj h LYS 263 CO -0.34 0.05 -0.07 0.00 -0.57 0.00 0.00 179.45 178.52 3khj h ALA 264 N 1.11 -0.06 -0.42 3.86 0.00 -0.58 -1.59 119.26 121.59 3khj h ALA 264 Ca 0.06 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 3khj h ALA 264 Cb 0.06 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 3khj h ALA 264 CO -0.09 -0.56 0.15 -0.07 0.00 0.00 0.00 179.25 178.67 3khj h LEU 265 N -0.12 0.60 -1.73 0.00 3.38 -0.85 -2.47 115.31 114.13 3khj h LEU 265 Ca 0.04 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.81 3khj h LEU 265 Cb 0.16 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 3khj h LEU 265 CO -0.09 0.63 0.09 0.00 0.09 0.00 0.00 178.44 179.15 3khj h ALA 266 N 0.99 1.79 -0.00 1.53 0.00 -0.12 -2.40 119.26 121.06 3khj h ALA 266 Ca 0.14 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3khj h ALA 266 Cb 0.23 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.94 3khj h ALA 266 CO -0.01 0.18 -0.27 0.28 0.00 0.00 0.00 179.25 179.43 3khj n VAL 267 N -4.47 0.00 0.00 0.00 0.31 -0.62 -4.51 118.33 109.05 3khj n VAL 267 Ca -0.00 -0.03 0.00 0.00 -0.01 0.00 0.00 64.34 64.30 3khj n VAL 267 Cb 0.11 0.01 0.00 0.00 -0.91 0.00 0.00 33.84 33.05 3khj n VAL 267 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3khj n GLY 268 N 1.44 0.49 3.80 2.92 0.00 -0.91 -4.35 105.19 108.57 3khj n GLY 268 Ca 0.08 0.00 -0.35 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 3.01 -0.05 4.61 0.00 -0.94 -4.64 121.76 123.74 3khj s ALA 269 Ca 0.00 0.58 0.10 0.00 0.00 0.00 0.00 51.96 52.64 3khj s ALA 269 Cb 0.00 -3.23 -0.23 0.00 0.00 0.00 0.00 23.12 19.66 3khj s ALA 269 CO 0.00 -0.13 0.62 0.43 0.00 0.00 0.00 175.76 176.68 3khj n SER 270 N -0.49 1.00 -3.72 0.00 7.64 0.65 -4.33 113.62 114.37 3khj n SER 270 Ca 0.07 0.39 -0.10 0.00 1.01 0.00 0.00 58.87 60.24 3khj n SER 270 Cb 0.52 -0.14 -0.05 0.00 -1.01 0.00 0.00 64.21 63.53 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 -6.19 -0.19 -0.08 6.43 1.04 -1.04 -4.77 113.70 108.90 3khj s SER 271 Ca -0.07 -0.46 0.05 0.00 0.48 0.00 0.00 55.95 55.95 3khj s SER 271 Cb 0.08 0.50 -0.00 0.00 0.10 0.00 0.00 66.02 66.69 3khj s SER 271 CO 0.82 -0.92 -0.23 0.68 0.98 0.00 0.00 173.24 174.57 3khj s VAL 272 N -3.85 1.99 -0.19 5.02 -7.23 -0.39 -0.34 120.40 115.40 3khj s VAL 272 Ca 0.07 -1.00 -0.19 0.00 -1.81 0.00 0.00 61.98 59.06 3khj s VAL 272 Cb 0.01 -1.71 -0.03 0.00 0.56 0.00 0.00 36.38 35.21 3khj s VAL 272 CO -0.07 0.55 0.53 -0.32 -0.31 0.00 0.00 175.10 175.48 3khj s MET 273 N 0.19 4.21 -0.06 4.82 1.75 0.17 -1.01 119.30 129.37 3khj s MET 273 Ca -0.14 0.45 0.06 0.00 -1.25 0.00 0.00 55.69 54.81 3khj s MET 273 Cb -0.16 -3.55 -0.01 0.00 2.84 0.00 0.00 34.83 33.95 3khj s MET 273 CO 0.07 -0.13 -0.24 0.96 -0.65 0.00 0.00 175.02 175.03 3khj s ILE 274 N 1.56 2.00 0.00 10.11 -4.36 0.56 -2.78 121.20 128.29 3khj s ILE 274 Ca 0.25 -1.03 0.00 0.00 -0.26 0.00 0.00 60.65 59.61 3khj s ILE 274 Cb -0.15 -1.70 0.00 0.00 1.25 0.00 0.00 42.46 41.85 3khj s ILE 274 CO 0.10 0.56 0.00 0.61 0.24 0.00 0.00 174.94 176.44 3khj n GLY 275 N 3.06 0.02 0.26 6.27 0.00 -1.26 -1.76 105.19 111.78 3khj n GLY 275 Ca -0.18 0.00 0.10 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.61 1.61 4.64 -1.97 -1.27 113.55 115.95 3khj h SER 276 Ca 0.00 0.00 0.07 0.00 -0.47 0.00 0.00 61.79 61.39 3khj h SER 276 Cb 0.00 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.05 3khj h SER 276 CO 0.00 0.08 0.40 0.40 -0.87 0.00 0.00 176.83 176.84 3khj h ILE 277 N 0.00 0.96 -0.24 0.95 2.04 -1.89 -2.84 117.51 116.49 3khj h ILE 277 Ca -0.00 -0.18 0.00 0.00 1.00 0.00 0.00 64.86 65.68 3khj h ILE 277 Cb 0.16 0.38 0.00 0.00 -0.74 0.00 0.00 36.82 36.63 3khj h ILE 277 CO 0.01 0.10 0.00 0.18 0.00 0.00 0.00 178.15 178.44 3khj n LEU 278 N -4.48 2.99 -0.08 1.44 4.77 -0.50 -4.69 117.00 116.45 3khj n LEU 278 Ca 0.09 -1.38 -0.11 0.00 -0.03 0.00 0.00 56.01 54.58 3khj n LEU 278 Cb 0.28 -0.15 -0.05 0.00 -2.33 0.00 0.00 43.42 41.17 3khj n LEU 278 CO 0.34 0.62 0.76 0.00 -1.33 0.00 0.00 177.39 177.79 3khj h ALA 279 N 3.67 0.31 -0.08 -1.18 0.00 -1.27 -3.16 119.26 117.55 3khj h ALA 279 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.70 3khj h ALA 279 Cb 0.84 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.54 3khj h ALA 279 CO 0.00 0.03 0.00 0.41 0.00 0.00 0.00 179.25 179.69 3khj n GLY 280 N -0.33 -0.34 3.79 0.00 0.00 -1.26 -4.79 105.19 102.25 3khj n GLY 280 Ca -0.04 -0.27 -0.30 0.00 0.00 0.00 0.00 46.02 45.40 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 -1.89 3.39 0.28 2.61 -4.23 -1.20 -1.02 115.64 113.57 3khj s THR 281 Ca 0.30 0.45 -0.03 0.00 -1.18 0.00 0.00 61.69 61.23 3khj s THR 281 Cb 0.15 -3.09 0.26 0.00 1.34 0.00 0.00 72.50 71.16 3khj s THR 281 CO 0.24 -0.59 1.94 -0.08 -0.54 0.00 0.00 174.62 175.59 3khj h GLU 282 N -1.05 1.18 0.00 3.99 4.57 -1.31 -2.87 114.58 119.09 3khj h GLU 282 Ca -0.45 -0.07 0.00 0.00 -1.18 0.00 0.00 59.36 57.65 3khj h GLU 282 Cb 1.24 -0.27 0.00 0.00 -0.16 0.00 0.00 28.75 29.57 3khj h GLU 282 CO 0.56 0.78 -0.02 0.39 -1.18 0.00 0.00 179.01 179.54 3khj n GLU 283 N -4.42 0.08 -2.73 1.92 4.71 -1.26 -4.83 120.64 114.11 3khj n GLU 283 Ca 0.12 0.07 -0.34 0.00 -0.01 0.00 0.00 57.16 56.99 3khj n GLU 283 Cb 0.06 -1.60 -0.06 0.00 -1.01 0.00 0.00 31.44 28.83 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 -3.48 6.82 0.63 1.62 1.04 -1.09 -2.87 113.70 116.37 3khj s SER 284 Ca 0.13 1.78 -0.18 0.00 0.48 0.00 0.00 55.95 58.16 3khj s SER 284 Cb 0.17 -2.55 -0.02 0.00 0.10 0.00 0.00 66.02 63.72 3khj s SER 284 CO 0.56 -0.45 1.28 -2.84 0.98 0.00 0.00 173.24 172.78 3khj s PRO 285 N -3.05 2.67 0.00 4.02 0.02 -1.26 -4.90 135.00 132.49 3khj s PRO 285 Ca 0.62 2.04 0.00 0.00 0.02 0.00 0.00 61.00 63.68 3khj s PRO 285 Cb -0.12 -1.89 0.00 0.00 0.02 0.00 0.00 34.50 32.51 3khj s PRO 285 CO 0.17 -1.50 0.00 0.41 -0.33 0.00 0.00 177.00 175.74 3khj n GLY 286 N 0.82 2.85 3.70 0.52 0.00 -1.26 -4.79 105.19 107.04 3khj n GLY 286 Ca 0.15 -2.04 -0.30 0.00 0.00 0.00 0.00 46.02 43.83 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 -2.59 2.59 0.20 1.61 2.02 -1.26 -5.07 118.70 116.20 3khj s GLU 287 Ca 0.00 -0.84 -0.26 0.00 0.02 0.00 0.00 54.97 53.89 3khj s GLU 287 Cb 0.00 -2.55 -0.08 0.00 0.10 0.00 0.00 34.13 31.59 3khj s GLU 287 CO 0.00 0.54 0.82 0.15 0.02 0.00 0.00 175.26 176.78 3khj s LYS 288 N -2.38 4.60 0.06 1.61 1.02 -1.26 -4.51 119.74 118.88 3khj s LYS 288 Ca 0.26 1.21 -0.04 0.00 0.02 0.00 0.00 55.97 57.42 3khj s LYS 288 Cb -0.12 -3.19 -0.02 0.00 -0.52 0.00 0.00 37.83 33.98 3khj s LYS 288 CO 0.19 0.52 0.06 -1.83 -0.92 0.00 0.00 175.35 173.38 3khj s GLU 289 N -1.30 0.67 -0.21 1.68 -1.05 -1.01 -4.98 118.70 112.50 3khj s GLU 289 Ca 0.39 -1.03 -0.05 0.00 -0.15 0.00 0.00 54.97 54.13 3khj s GLU 289 Cb -0.23 0.25 -0.02 0.00 -0.44 0.00 0.00 34.13 33.70 3khj s GLU 289 CO 0.27 -0.17 -0.00 -1.17 0.95 0.00 0.00 175.26 175.14 3khj s LEU 290 N -2.70 3.17 -0.46 1.83 2.96 -1.26 -0.83 118.68 121.39 3khj s LEU 290 Ca 0.03 -0.26 0.03 0.00 -0.22 0.00 0.00 54.13 53.71 3khj s LEU 290 Cb 0.05 -1.81 0.13 0.00 0.50 0.00 0.00 46.19 45.05 3khj s LEU 290 CO -0.09 0.02 0.23 -0.63 -1.32 0.00 0.00 176.35 174.56 3khj s ILE 291 N 1.26 1.86 -0.48 6.68 1.01 -0.42 -4.86 121.20 126.25 3khj s ILE 291 Ca 0.04 -2.77 -0.02 0.00 0.00 0.00 0.00 60.65 57.90 3khj s ILE 291 Cb -0.15 -2.30 -0.02 0.00 0.01 0.00 0.00 42.46 40.00 3khj s ILE 291 CO 0.01 -0.83 0.42 0.61 0.00 0.00 0.00 174.94 175.14 3khj n GLY 292 N 3.48 0.02 2.48 6.18 0.00 -1.26 -3.69 105.19 112.41 3khj n GLY 292 Ca 0.06 0.01 -0.20 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.17 -5.47 -3.90 1.61 5.68 -1.26 -4.98 116.55 106.06 3khj n ASP 293 Ca -0.06 0.28 -0.20 0.00 -0.50 0.00 0.00 54.79 54.31 3khj n ASP 293 Cb 0.56 -4.72 -0.16 0.00 -1.14 0.00 0.00 41.12 35.66 3khj n ASP 293 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 3khj s THR 294 N -2.83 0.57 0.14 2.12 2.01 -1.24 -5.14 115.64 111.27 3khj s THR 294 Ca 0.00 -0.14 -0.26 0.00 0.31 0.00 0.00 61.69 61.60 3khj s THR 294 Cb 0.00 -0.59 -0.07 0.00 0.01 0.00 0.00 72.50 71.85 3khj s THR 294 CO 0.00 0.23 0.80 -0.69 -0.69 0.00 0.00 174.62 174.27 3khj s VAL 295 N 0.89 4.44 0.16 3.82 1.01 -1.26 -1.30 120.40 128.16 3khj s VAL 295 Ca -0.11 1.74 0.03 0.00 0.00 0.00 0.00 61.98 63.63 3khj s VAL 295 Cb -0.14 -4.16 -0.05 0.00 0.00 0.00 0.00 36.38 32.03 3khj s VAL 295 CO 0.00 0.47 -0.03 -0.31 0.00 0.00 0.00 175.10 175.23 3khj s TYR 296 N -0.80 1.20 0.12 5.22 1.51 -0.01 -1.08 117.35 123.51 3khj s TYR 296 Ca 0.38 -0.93 -0.19 0.00 -1.01 0.00 0.00 57.07 55.31 3khj s TYR 296 Cb -0.23 -0.67 0.05 0.00 -0.11 0.00 0.00 41.96 41.00 3khj s TYR 296 CO 0.26 -0.12 0.48 -1.59 -1.11 0.00 0.00 175.55 173.47 3khj s LYS 297 N -3.86 1.12 0.51 -0.62 -2.85 -0.70 -2.41 119.74 110.93 3khj s LYS 297 Ca 0.21 -0.55 -0.15 0.00 -1.00 0.00 0.00 55.97 54.48 3khj s LYS 297 Cb 0.05 0.50 -0.07 0.00 -2.06 0.00 0.00 37.83 36.25 3khj s LYS 297 CO 0.02 -0.45 0.96 -0.47 0.10 0.00 0.00 175.35 175.51 3khj s TYR 298 N -3.52 3.48 -0.03 1.78 6.14 -1.26 -1.77 117.35 122.17 3khj s TYR 298 Ca 0.01 1.37 -0.01 0.00 0.64 0.00 0.00 57.07 59.09 3khj s TYR 298 Cb 0.01 -2.73 0.03 0.00 0.42 0.00 0.00 41.96 39.69 3khj s TYR 298 CO -0.10 -0.37 0.03 -0.47 0.64 0.00 0.00 175.55 175.28 3khj s TYR 299 N -2.66 0.13 0.00 4.97 5.04 -1.11 -4.79 117.35 118.93 3khj s TYR 299 Ca 0.57 0.13 0.00 0.00 -2.44 0.00 0.00 57.07 55.33 3khj s TYR 299 Cb -0.10 -0.38 0.00 0.00 0.35 0.00 0.00 41.96 41.83 3khj s TYR 299 CO 0.34 -0.14 0.00 2.89 -1.34 0.00 0.00 175.55 177.30 3khj n ARG 300 N 4.60 0.00 -2.90 4.97 1.85 -1.26 -4.08 116.66 119.84 3khj n ARG 300 Ca -0.18 0.00 -0.02 0.00 -1.00 0.00 0.00 57.85 56.64 3khj n ARG 300 Cb 0.50 0.00 -0.02 0.00 -1.05 0.00 0.00 32.46 31.89 3khj n ARG 300 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3khj n GLY 330 N 0.00 -2.13 3.78 2.89 0.00 -1.26 -4.95 105.19 103.51 3khj n GLY 330 Ca 0.00 0.70 -0.37 0.00 0.00 0.00 0.00 46.02 46.35 3khj n GLY 330 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3khj s ILE 331 N -0.38 3.60 -0.13 -0.61 2.07 -1.26 -5.00 121.20 119.49 3khj s ILE 331 Ca -0.11 1.30 0.23 0.00 -1.41 0.00 0.00 60.65 60.67 3khj s ILE 331 Cb 0.01 -3.71 0.45 0.00 0.13 0.00 0.00 42.46 39.34 3khj s ILE 331 CO 0.33 0.08 1.15 -0.62 -1.91 0.00 0.00 174.94 173.97 3khj n GLU 332 N 0.16 0.83 -0.17 3.50 -0.58 -1.26 -5.15 120.64 117.96 3khj n GLU 332 Ca 0.04 -2.62 0.02 0.00 -0.42 0.00 0.00 57.16 54.18 3khj n GLU 332 Cb 0.48 -0.69 -0.01 0.00 -0.57 0.00 0.00 31.44 30.65 3khj n GLU 332 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3khj n GLY 333 N -0.09 -2.40 3.65 0.62 0.00 -1.26 -4.61 105.19 101.10 3khj n GLY 333 Ca 0.04 -1.42 -0.29 0.00 0.00 0.00 0.00 46.02 44.35 3khj n GLY 333 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3khj s ARG 334 N -2.70 2.40 0.07 1.61 3.52 -1.26 -2.73 118.95 119.85 3khj s ARG 334 Ca 0.00 -0.95 0.07 0.00 -0.13 0.00 0.00 55.73 54.71 3khj s ARG 334 Cb 0.00 -2.43 -0.03 0.00 -1.56 0.00 0.00 34.95 30.93 3khj s ARG 334 CO 0.00 0.51 -0.18 0.54 -0.81 0.00 0.00 175.30 175.36 3khj s VAL 335 N -1.38 1.48 0.50 7.11 0.11 -0.73 -4.88 120.40 122.60 3khj s VAL 335 Ca 0.25 -1.29 -0.22 0.00 -2.93 0.00 0.00 61.98 57.79 3khj s VAL 335 Cb -0.11 -1.33 -0.06 0.00 -1.53 0.00 0.00 36.38 33.35 3khj s VAL 335 CO 0.17 0.00 1.22 -1.59 -3.33 0.00 0.00 175.10 171.58 3khj s LYS 336 N -1.50 3.51 0.09 1.54 0.00 -1.26 -1.73 119.74 120.39 3khj s LYS 336 Ca 0.04 1.90 -0.31 0.00 0.00 0.00 0.00 55.97 57.60 3khj s LYS 336 Cb -0.09 -2.31 -0.09 0.00 0.00 0.00 0.00 37.83 35.34 3khj s LYS 336 CO 0.03 -0.79 1.66 -0.47 0.00 0.00 0.00 175.35 175.78 3khj s TYR 337 N -1.49 2.49 -2.89 1.78 5.04 -0.24 -4.41 117.35 117.62 3khj s TYR 337 Ca 0.67 0.33 0.24 0.00 -2.44 0.00 0.00 57.07 55.87 3khj s TYR 337 Cb -0.32 -3.98 0.25 0.00 0.35 0.00 0.00 41.96 38.25 3khj s TYR 337 CO 0.38 -3.92 1.29 1.63 -1.34 0.00 0.00 175.55 173.59 3khj n LYS 338 N 5.36 2.37 0.00 4.97 5.02 -0.19 -4.97 118.16 130.72 3khj n LYS 338 Ca 0.16 -2.01 0.00 0.00 -2.02 0.00 0.00 58.31 54.44 3khj n LYS 338 Cb 0.40 -1.47 0.00 0.00 -0.02 0.00 0.00 35.03 33.94 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 1.39 -0.63 3.77 0.72 0.00 -1.26 -4.86 105.19 104.31 3khj n GLY 339 Ca 0.15 -1.35 -0.39 0.00 0.00 0.00 0.00 46.02 44.43 3khj n GLY 339 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3khj s GLU 340 N 0.00 4.39 0.32 1.61 2.56 -1.26 -0.81 118.70 125.52 3khj s GLU 340 Ca 0.00 1.81 0.14 0.00 0.00 0.00 0.00 54.97 56.92 3khj s GLU 340 Cb 0.00 -2.95 0.52 0.00 2.00 0.00 0.00 34.13 33.70 3khj s GLU 340 CO 0.00 -0.02 1.68 0.00 -0.56 0.00 0.00 175.26 176.37 3khj h MET 341 N 3.27 0.00 -0.58 4.30 -0.00 -1.95 -3.23 114.93 116.75 3khj h MET 341 Ca -0.48 0.00 0.02 0.00 -0.00 0.00 0.00 59.70 59.24 3khj h MET 341 Cb 1.22 0.00 -0.03 0.00 -0.00 0.00 0.00 31.60 32.79 3khj h MET 341 CO 0.65 0.50 0.37 1.49 -0.00 0.00 0.00 176.91 179.91 3khj h GLU 342 N 0.00 0.71 -0.45 -0.10 4.81 -1.97 -0.69 114.58 116.90 3khj h GLU 342 Ca -0.00 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 59.15 3khj h GLU 342 Cb 0.97 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 30.17 3khj h GLU 342 CO 0.06 0.47 0.13 0.78 -0.73 0.00 0.00 179.01 179.72 3khj h GLY 343 N 0.73 0.71 0.92 1.92 0.00 -1.97 0.98 103.07 106.35 3khj h GLY 343 Ca 0.22 -0.37 -0.11 0.00 0.00 0.00 0.00 47.33 47.08 3khj h GLY 343 CO -0.08 0.35 -0.27 -2.08 0.00 0.00 0.00 176.54 174.46 3khj h VAL 344 N 0.64 1.31 -0.45 4.60 2.07 -1.51 -2.95 116.25 119.97 3khj h VAL 344 Ca 0.15 -1.45 -0.13 0.00 0.82 0.00 0.00 66.70 66.09 3khj h VAL 344 Cb 0.21 1.68 -0.01 0.00 -1.52 0.00 0.00 31.29 31.65 3khj h VAL 344 CO -0.01 0.45 -0.24 0.58 0.02 0.00 0.00 177.57 178.37 3khj h VAL 345 N 0.33 1.27 -0.54 2.57 2.07 -0.84 -2.64 116.25 118.47 3khj h VAL 345 Ca 0.04 -1.40 0.03 0.00 0.82 0.00 0.00 66.70 66.19 3khj h VAL 345 Cb 0.84 1.18 -0.04 0.00 -1.52 0.00 0.00 31.29 31.75 3khj h VAL 345 CO 0.07 0.48 0.31 1.88 0.02 0.00 0.00 177.57 180.32 3khj h TYR 346 N 0.80 0.57 -0.39 1.57 0.99 -0.83 0.12 116.97 119.80 3khj h TYR 346 Ca 0.10 0.02 -0.02 0.00 2.00 0.00 0.00 58.73 60.83 3khj h TYR 346 Cb 0.81 -0.18 -0.02 0.00 1.00 0.00 0.00 36.73 38.34 3khj h TYR 346 CO 0.05 0.31 0.18 0.37 -0.00 0.00 0.00 178.16 179.07 3khj h GLN 347 N 0.60 0.57 -0.31 4.88 -0.00 -1.48 0.19 115.11 119.58 3khj h GLN 347 Ca 0.22 -0.09 -0.00 0.00 -0.00 0.00 0.00 58.65 58.78 3khj h GLN 347 Cb 0.07 -0.10 -0.01 0.00 0.00 0.00 0.00 27.48 27.43 3khj h GLN 347 CO -0.12 0.52 0.18 -0.07 0.00 0.00 0.00 178.83 179.34 3khj h LEU 348 N 0.50 0.37 -0.39 -2.39 3.38 -1.07 0.50 115.31 116.20 3khj h LEU 348 Ca 0.13 -0.06 -0.04 0.00 0.09 0.00 0.00 57.88 58.00 3khj h LEU 348 Cb 0.14 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 3khj h LEU 348 CO -0.02 0.33 0.09 0.58 0.09 0.00 0.00 178.44 179.51 3khj h VAL 349 N 0.39 1.23 -0.57 1.22 2.07 -0.71 -2.40 116.25 117.48 3khj h VAL 349 Ca 0.11 -0.79 0.02 0.00 0.82 0.00 0.00 66.70 66.86 3khj h VAL 349 Cb 0.03 1.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.76 3khj h VAL 349 CO -0.02 0.27 0.35 1.23 0.02 0.00 0.00 177.57 179.43 3khj h GLY 350 N 0.49 0.80 1.41 2.17 0.00 -0.41 -1.18 103.07 106.35 3khj h GLY 350 Ca 0.12 -0.27 -0.05 0.00 0.00 0.00 0.00 47.33 47.14 3khj h GLY 350 CO 0.00 0.24 0.12 -1.33 0.00 0.00 0.00 176.54 175.57 3khj h GLY 351 N 0.70 0.80 1.35 4.60 0.00 -0.84 -1.93 103.07 107.75 3khj h GLY 351 Ca 0.22 -0.45 -0.19 0.00 0.00 0.00 0.00 47.33 46.92 3khj h GLY 351 CO -0.08 0.42 -0.63 -2.00 0.00 0.00 0.00 176.54 174.25 3khj h LEU 352 N 0.72 0.76 -0.06 3.11 7.12 -1.06 -1.78 115.31 124.13 3khj h LEU 352 Ca 0.16 -0.44 0.00 0.00 0.13 0.00 0.00 57.88 57.73 3khj h LEU 352 Cb 0.27 -0.22 -0.00 0.00 -0.53 0.00 0.00 40.66 40.18 3khj h LEU 352 CO -0.00 1.20 0.04 0.03 -0.13 0.00 0.00 178.44 179.58 3khj h ARG 353 N 0.49 0.08 -0.30 1.25 3.08 -1.02 -1.25 114.38 116.71 3khj h ARG 353 Ca -0.01 -0.01 0.06 0.00 0.07 0.00 0.00 59.98 60.09 3khj h ARG 353 Cb 1.22 -0.02 -0.05 0.00 0.08 0.00 0.00 29.97 31.20 3khj h ARG 353 CO 0.12 0.07 -0.03 1.03 -1.07 0.00 0.00 179.97 180.09 3khj h SER 354 N 0.06 -0.19 -0.40 7.04 0.87 -1.32 0.11 113.55 119.72 3khj h SER 354 Ca 0.02 0.08 0.08 0.00 -1.23 0.00 0.00 61.79 60.74 3khj h SER 354 Cb 0.01 0.15 -0.08 0.00 -0.44 0.00 0.00 62.40 62.04 3khj h SER 354 CO -0.00 -0.06 -0.15 0.00 -0.53 0.00 0.00 176.83 176.09 3khj h MET 356 N -0.06 0.00 0.48 0.00 2.07 -0.63 -1.98 114.93 114.81 3khj h MET 356 Ca 0.20 0.00 -0.02 0.00 -2.07 0.00 0.00 59.70 57.80 3khj h MET 356 Cb 0.36 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.09 3khj h MET 356 CO -0.44 0.26 -0.23 0.78 1.07 0.00 0.00 176.91 178.35 3khj h GLY 357 N 1.20 -0.67 0.16 8.32 0.00 -0.10 0.02 103.07 112.01 3khj h GLY 357 Ca -0.00 0.25 0.19 0.00 0.00 0.00 0.00 47.33 47.76 3khj h GLY 357 CO 0.03 -0.25 0.61 -0.97 0.00 0.00 0.00 176.54 175.97 3khj h TYR 358 N -0.71 1.02 -0.20 5.60 -1.99 -0.65 -0.69 116.97 119.36 3khj h TYR 358 Ca -0.07 0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.70 3khj h TYR 358 Cb 0.53 -0.31 0.00 0.00 2.00 0.00 0.00 36.73 38.95 3khj h TYR 358 CO -0.03 0.24 0.00 1.28 -0.00 0.00 0.00 178.16 179.65 3khj n LEU 359 N -4.73 2.00 -3.60 3.88 4.32 -0.80 -0.87 117.00 117.19 3khj n LEU 359 Ca 0.23 -0.83 -0.23 0.00 -0.02 0.00 0.00 56.01 55.16 3khj n LEU 359 Cb 0.57 -0.12 0.07 0.00 -1.62 0.00 0.00 43.42 42.32 3khj n LEU 359 CO 0.23 0.42 0.20 0.61 -1.22 0.00 0.00 177.39 177.62 3khj n GLY 360 N 1.20 -0.50 3.06 -0.72 0.00 -0.27 -4.42 105.19 103.54 3khj n GLY 360 Ca 0.17 0.22 -0.32 0.00 0.00 0.00 0.00 46.02 46.08 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 -3.57 4.03 0.40 1.61 0.01 -0.08 -4.77 113.70 111.32 3khj s SER 361 Ca 0.46 -1.18 0.22 0.00 1.31 0.00 0.00 55.95 56.76 3khj s SER 361 Cb -0.20 -1.48 0.61 0.00 0.21 0.00 0.00 66.02 65.16 3khj s SER 361 CO 0.74 -0.15 1.69 0.00 0.41 0.00 0.00 173.24 175.94 3khj h ALA 362 N 7.84 0.92 -2.47 1.44 0.00 -1.93 -3.42 119.26 121.63 3khj h ALA 362 Ca -0.25 -0.24 -0.22 0.00 0.00 0.00 0.00 54.91 54.20 3khj h ALA 362 Cb 1.07 -0.04 -0.15 0.00 0.00 0.00 0.00 17.79 18.67 3khj h ALA 362 CO 0.50 0.32 -0.64 -1.54 0.00 0.00 0.00 179.25 177.89 3khj s SER 363 N -6.24 0.35 0.37 0.00 1.04 -1.26 0.39 113.70 108.35 3khj s SER 363 Ca 0.03 -1.28 0.10 0.00 0.48 0.00 0.00 55.95 55.28 3khj s SER 363 Cb 0.09 0.31 0.74 0.00 0.10 0.00 0.00 66.02 67.25 3khj s SER 363 CO 0.67 -0.76 1.87 0.40 0.98 0.00 0.00 173.24 176.40 3khj h ILE 364 N 2.75 1.21 -0.57 -1.02 2.04 -1.84 -1.01 117.51 119.06 3khj h ILE 364 Ca -0.36 -1.00 -0.10 0.00 1.00 0.00 0.00 64.86 64.41 3khj h ILE 364 Cb 1.22 1.41 -0.02 0.00 -0.74 0.00 0.00 36.82 38.69 3khj h ILE 364 CO 0.57 0.30 -0.02 -0.33 0.00 0.00 0.00 178.15 178.67 3khj h GLU 365 N 0.15 1.03 -0.69 2.37 5.08 -1.96 -2.14 114.58 118.42 3khj h GLU 365 Ca 0.02 -0.34 -0.07 0.00 -1.00 0.00 0.00 59.36 57.98 3khj h GLU 365 Cb 0.51 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.64 3khj h GLU 365 CO 0.04 1.03 0.17 0.93 -1.00 0.00 0.00 179.01 180.17 3khj h GLU 366 N 0.92 1.09 -0.27 2.33 5.08 -1.85 -2.83 114.58 119.05 3khj h GLU 366 Ca 0.16 -0.25 0.04 0.00 -1.00 0.00 0.00 59.36 58.31 3khj h GLU 366 Cb 0.58 -0.15 -0.04 0.00 0.50 0.00 0.00 28.75 29.64 3khj h GLU 366 CO 0.03 0.96 0.04 1.25 -1.00 0.00 0.00 179.01 180.29 3khj h LEU 367 N 1.04 -0.02 -1.50 1.33 5.85 -0.99 -0.31 115.31 120.70 3khj h LEU 367 Ca 0.22 0.05 0.03 0.00 0.84 0.00 0.00 57.88 59.02 3khj h LEU 367 Cb 0.36 0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.43 3khj h LEU 367 CO 0.00 0.02 0.38 -0.50 -0.34 0.00 0.00 178.44 178.00 3khj h TRP 368 N 0.13 0.63 0.00 1.25 6.55 -1.29 -0.60 115.95 122.63 3khj h TRP 368 Ca 0.13 0.02 -0.12 0.00 0.95 0.00 0.00 58.89 59.86 3khj h TRP 368 Cb 0.14 -0.21 -0.02 0.00 -0.86 0.00 0.00 29.16 28.21 3khj h TRP 368 CO -0.18 0.37 -0.59 -0.22 -1.05 0.00 0.00 178.44 176.77 3khj h LYS 369 N 0.66 0.00 -0.00 0.49 3.64 -1.14 -3.36 116.57 116.86 3khj h LYS 369 Ca 0.23 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.61 3khj h LYS 369 Cb 0.09 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.91 3khj h LYS 369 CO -0.06 0.57 -0.52 1.63 -2.27 0.00 0.00 179.45 178.79 3khj n LYS 370 N -3.24 3.05 -2.39 1.90 5.02 -0.19 -5.04 118.16 117.26 3khj n LYS 370 Ca 0.01 -0.06 -0.41 0.00 -2.02 0.00 0.00 58.31 55.84 3khj n LYS 370 Cb 0.77 -1.06 -0.04 0.00 -0.02 0.00 0.00 35.03 34.68 3khj n LYS 370 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 3khj s SER 371 N -2.05 7.15 -0.04 4.39 0.01 -0.27 -4.96 113.70 117.93 3khj s SER 371 Ca 0.05 2.33 -0.12 0.00 1.31 0.00 0.00 55.95 59.52 3khj s SER 371 Cb 0.09 -2.63 0.02 0.00 0.21 0.00 0.00 66.02 63.71 3khj s SER 371 CO 0.46 -0.26 0.26 -0.94 0.41 0.00 0.00 173.24 173.18 3khj s SER 372 N -0.58 -0.17 0.10 2.44 1.04 -1.26 -5.06 113.70 110.21 3khj s SER 372 Ca 0.47 0.16 0.03 0.00 0.48 0.00 0.00 55.95 57.09 3khj s SER 372 Cb -0.33 0.37 -0.04 0.00 0.10 0.00 0.00 66.02 66.11 3khj s SER 372 CO 0.42 -0.33 -0.09 -0.72 0.98 0.00 0.00 173.24 173.51 3khj s TYR 373 N -0.90 1.00 -0.08 5.02 1.13 -1.26 -0.35 117.35 121.91 3khj s TYR 373 Ca -0.10 -0.74 0.01 0.00 -1.41 0.00 0.00 57.07 54.83 3khj s TYR 373 Cb -0.05 -0.55 -0.03 0.00 -1.10 0.00 0.00 41.96 40.23 3khj s TYR 373 CO 0.02 -0.04 -0.11 0.14 -2.51 0.00 0.00 175.55 173.05 3khj s VAL 374 N -2.87 3.34 0.30 -3.49 -7.23 0.31 -4.91 120.40 105.85 3khj s VAL 374 Ca 0.08 -0.60 -0.29 0.00 -1.81 0.00 0.00 61.98 59.36 3khj s VAL 374 Cb 0.00 -2.36 -0.10 0.00 0.56 0.00 0.00 36.38 34.48 3khj s VAL 374 CO -0.01 0.57 1.25 -1.61 -0.31 0.00 0.00 175.10 174.99 3khj s GLU 375 N -0.46 4.43 -0.07 4.82 2.02 -1.26 -1.53 118.70 126.65 3khj s GLU 375 Ca 0.06 2.09 0.05 0.00 0.02 0.00 0.00 54.97 57.19 3khj s GLU 375 Cb -0.12 -3.12 -0.02 0.00 0.10 0.00 0.00 34.13 30.98 3khj s GLU 375 CO 0.02 -0.09 -0.20 0.42 0.02 0.00 0.00 175.26 175.42 3khj s ILE 376 N -0.98 2.47 0.66 -1.63 1.09 0.16 -4.93 121.20 118.03 3khj s ILE 376 Ca 0.49 -0.92 -0.13 0.00 -1.10 0.00 0.00 60.65 58.99 3khj s ILE 376 Cb -0.37 -1.94 -0.00 0.00 -1.06 0.00 0.00 42.46 39.08 3khj s ILE 376 CO 0.48 0.57 1.07 0.42 -0.10 0.00 0.00 174.94 177.38 3khj s THR 377 N -0.22 3.71 0.37 2.92 -4.23 -1.26 -4.81 115.64 112.12 3khj s THR 377 Ca -0.01 0.70 0.19 0.00 -1.18 0.00 0.00 61.69 61.39 3khj s THR 377 Cb -0.13 -3.27 0.37 0.00 1.34 0.00 0.00 72.50 70.80 3khj s THR 377 CO 0.03 -0.59 1.65 0.00 -0.54 0.00 0.00 174.62 175.17 3khj h THR 378 N -0.17 0.22 -0.00 3.99 1.03 -1.97 -3.51 112.91 112.50 3khj h THR 378 Ca -0.45 -0.08 0.00 0.00 -0.01 0.00 0.00 66.41 65.87 3khj h THR 378 Cb 1.22 -0.02 0.00 0.00 -1.07 0.00 0.00 68.15 68.28 3khj h THR 378 CO 0.56 0.04 0.00 -1.54 -0.01 0.00 0.00 175.52 174.57