#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3khj n THR 3 N 0.00 0.00 0.57 2.61 5.66 -1.26 -4.19 114.28 117.67 3khj n THR 3 Ca 0.00 -0.09 0.08 0.00 -3.05 0.00 0.00 64.05 60.98 3khj n THR 3 Cb 0.00 1.05 0.07 0.00 -1.55 0.00 0.00 70.33 69.90 3khj n THR 3 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 3khj n LYS 4 N -1.17 1.21 -2.40 1.09 5.02 -1.26 -4.92 118.16 115.74 3khj n LYS 4 Ca 0.05 -1.46 -0.43 0.00 -2.02 0.00 0.00 58.31 54.45 3khj n LYS 4 Cb 0.33 -1.29 -0.02 0.00 -0.02 0.00 0.00 35.03 34.02 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 -1.24 6.55 0.00 4.39 2.47 -1.26 -4.90 114.94 120.95 3khj s ASN 5 Ca 0.19 1.05 0.23 0.00 0.42 0.00 0.00 52.86 54.75 3khj s ASN 5 Cb 0.13 -2.54 0.68 0.00 -1.45 0.00 0.00 41.25 38.07 3khj s ASN 5 CO 0.19 -1.21 1.53 2.30 -3.72 0.00 0.00 177.10 176.19 3khj n ILE 6 N 6.54 0.19 -0.03 -5.21 -5.35 -1.26 -5.02 119.36 109.22 3khj n ILE 6 Ca 0.15 -0.42 0.00 0.00 -0.27 0.00 0.00 62.75 62.21 3khj n ILE 6 Cb 0.47 0.66 0.00 0.00 -1.74 0.00 0.00 39.64 39.03 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 1.24 0.63 3.48 3.28 0.00 -1.26 -5.06 105.19 107.50 3khj n GLY 7 Ca 0.17 -1.88 -0.40 0.00 0.00 0.00 0.00 46.02 43.90 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 -1.17 3.27 0.35 1.61 2.20 -1.26 -5.08 119.74 119.67 3khj s LYS 8 Ca 0.00 -0.79 -0.26 0.00 -0.36 0.00 0.00 55.97 54.56 3khj s LYS 8 Cb 0.00 -3.78 -0.09 0.00 -1.51 0.00 0.00 37.83 32.45 3khj s LYS 8 CO 0.00 -0.53 1.06 0.20 -0.36 0.00 0.00 175.35 175.72 3khj s GLY 9 N 1.67 2.86 -0.08 5.54 0.00 -1.26 -5.04 107.32 111.01 3khj s GLY 9 Ca 0.05 0.76 0.05 0.00 0.00 0.00 0.00 44.72 45.58 3khj s GLY 9 CO 0.09 1.26 -0.23 1.08 0.00 0.00 0.00 173.10 175.30 3khj s LEU 10 N -2.19 2.18 0.00 0.66 1.43 -1.26 -4.95 118.68 114.55 3khj s LEU 10 Ca 0.53 -0.49 0.05 0.00 -1.03 0.00 0.00 54.13 53.19 3khj s LEU 10 Cb -0.25 -1.42 0.05 0.00 0.03 0.00 0.00 46.19 44.60 3khj s LEU 10 CO 0.32 0.22 0.44 1.07 0.23 0.00 0.00 176.35 178.63 3khj n THR 11 N 3.12 0.00 -0.24 5.49 5.66 -1.26 -1.92 114.28 125.13 3khj n THR 11 Ca -0.18 -1.29 -0.01 0.00 -3.05 0.00 0.00 64.05 59.52 3khj n THR 11 Cb 0.52 -0.54 0.19 0.00 -1.55 0.00 0.00 70.33 68.95 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 0.23 1.02 0.00 1.09 -1.00 -1.94 -2.57 116.94 113.78 3khj h PHE 12 Ca -0.19 -0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.58 3khj h PHE 12 Cb 0.81 -0.33 0.00 0.00 3.61 0.00 0.00 35.95 40.03 3khj h PHE 12 CO 0.00 0.70 0.00 0.39 -1.61 0.00 0.00 178.31 177.79 3khj n GLU 13 N -4.36 0.11 0.14 1.51 -0.58 -1.26 -3.36 120.64 112.84 3khj n GLU 13 Ca 0.08 0.15 0.02 0.00 -0.42 0.00 0.00 57.16 56.99 3khj n GLU 13 Cb 0.09 -1.64 0.08 0.00 -0.57 0.00 0.00 31.44 29.39 3khj n GLU 13 CO 0.00 0.00 0.00 -0.44 -0.48 0.00 0.00 177.13 176.21 3khj h ASP 14 N 0.00 0.00 -2.33 1.62 3.32 -1.78 -3.46 116.42 113.79 3khj h ASP 14 Ca 0.00 0.00 -0.57 0.00 0.02 0.00 0.00 57.03 56.48 3khj h ASP 14 Cb 0.53 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 39.94 3khj h ASP 14 CO 0.00 0.53 -0.69 0.27 -1.72 0.00 0.00 179.24 177.62 3khj s ILE 15 N -3.07 2.07 -0.01 0.35 -4.36 -1.21 -0.34 121.20 114.63 3khj s ILE 15 Ca 0.03 -2.21 -0.00 0.00 -0.26 0.00 0.00 60.65 58.21 3khj s ILE 15 Cb 0.08 -2.52 0.01 0.00 1.25 0.00 0.00 42.46 41.28 3khj s ILE 15 CO 0.74 -0.27 0.01 -0.76 0.24 0.00 0.00 174.94 174.90 3khj s LEU 16 N -3.53 1.82 0.27 0.37 1.43 -0.83 -4.91 118.68 113.30 3khj s LEU 16 Ca 0.31 0.03 -0.30 0.00 -1.03 0.00 0.00 54.13 53.14 3khj s LEU 16 Cb 0.02 0.03 -0.09 0.00 0.03 0.00 0.00 46.19 46.17 3khj s LEU 16 CO 0.14 -0.02 1.10 -0.76 0.23 0.00 0.00 176.35 177.04 3khj s LEU 17 N 0.17 4.55 -0.17 1.79 1.43 -1.26 -1.06 118.68 124.12 3khj s LEU 17 Ca -0.01 2.25 -0.16 0.00 -1.03 0.00 0.00 54.13 55.18 3khj s LEU 17 Cb -0.02 -3.62 -0.04 0.00 0.03 0.00 0.00 46.19 42.53 3khj s LEU 17 CO -0.00 -0.15 0.37 -0.69 0.23 0.00 0.00 176.35 176.11 3khj s VAL 18 N -1.04 5.24 0.42 -1.59 1.01 0.02 -4.90 120.40 119.56 3khj s VAL 18 Ca 0.45 0.70 -0.26 0.00 0.00 0.00 0.00 61.98 62.87 3khj s VAL 18 Cb -0.32 -3.71 -0.08 0.00 0.00 0.00 0.00 36.38 32.27 3khj s VAL 18 CO 0.40 0.32 1.30 -2.84 0.00 0.00 0.00 175.10 174.29 3khj s PRO 19 N 0.81 3.91 0.51 2.72 0.02 -1.26 -4.51 135.00 137.20 3khj s PRO 19 Ca 0.20 2.15 0.04 0.00 0.02 0.00 0.00 61.00 63.40 3khj s PRO 19 Cb -0.14 -2.71 0.01 0.00 0.02 0.00 0.00 34.50 31.68 3khj s PRO 19 CO 0.07 -0.54 0.25 -0.80 -0.33 0.00 0.00 177.00 175.64 3khj s ASN 20 N -0.78 4.45 0.21 2.53 0.01 -0.75 -4.97 114.94 115.63 3khj s ASN 20 Ca 0.58 -1.34 -0.31 0.00 -0.71 0.00 0.00 52.86 51.08 3khj s ASN 20 Cb -0.38 0.31 -0.10 0.00 0.41 0.00 0.00 41.25 41.49 3khj s ASN 20 CO 0.48 -0.94 1.53 -0.47 -1.51 0.00 0.00 177.10 176.19 3khj s TYR 21 N -2.78 3.01 0.02 2.20 6.14 -1.26 -4.52 117.35 120.16 3khj s TYR 21 Ca 0.26 0.77 0.08 0.00 0.64 0.00 0.00 57.07 58.83 3khj s TYR 21 Cb -0.00 -3.91 -0.02 0.00 0.42 0.00 0.00 41.96 38.44 3khj s TYR 21 CO 0.16 -3.20 -0.23 0.45 0.64 0.00 0.00 175.55 173.36 3khj s SER 22 N 0.81 2.76 0.00 4.32 0.15 -1.26 -4.23 113.70 116.24 3khj s SER 22 Ca 0.66 -0.50 0.00 0.00 0.70 0.00 0.00 55.95 56.80 3khj s SER 22 Cb -0.44 -0.26 0.00 0.00 -1.71 0.00 0.00 66.02 63.61 3khj s SER 22 CO 0.37 0.23 0.00 -0.62 1.20 0.00 0.00 173.24 174.42 3khj n GLU 23 N 2.06 2.15 -3.30 5.44 1.02 -1.26 -5.02 120.64 121.72 3khj n GLU 23 Ca -0.16 0.00 -0.39 0.00 -0.02 0.00 0.00 57.16 56.58 3khj n GLU 23 Cb 0.52 -0.85 -0.08 0.00 -0.02 0.00 0.00 31.44 31.01 3khj n GLU 23 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3khj s VAL 24 N -1.52 5.13 0.46 2.62 1.01 -1.26 -5.07 120.40 121.76 3khj s VAL 24 Ca 0.00 0.79 -0.20 0.00 0.00 0.00 0.00 61.98 62.57 3khj s VAL 24 Cb 0.00 -3.78 -0.10 0.00 0.00 0.00 0.00 36.38 32.50 3khj s VAL 24 CO 0.00 0.15 0.98 -0.76 0.00 0.00 0.00 175.10 175.47 3khj s LEU 25 N 1.93 3.86 0.40 3.92 2.01 -1.26 -4.60 118.68 124.93 3khj s LEU 25 Ca 0.20 1.73 0.19 0.00 0.01 0.00 0.00 54.13 56.26 3khj s LEU 25 Cb -0.15 -4.54 1.12 0.00 0.01 0.00 0.00 46.19 42.62 3khj s LEU 25 CO 0.09 -0.52 1.75 -0.65 1.01 0.00 0.00 176.35 178.04 3khj h PRO 26 N 1.65 0.37 0.00 1.29 0.11 -1.92 0.12 132.00 133.61 3khj h PRO 26 Ca -0.49 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3khj h PRO 26 Cb 1.19 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.22 3khj h PRO 26 CO 0.60 0.24 0.00 2.89 -0.21 0.00 0.00 178.00 181.53 3khj n ARG 27 N -4.66 0.18 -0.65 1.05 1.85 -1.26 -3.05 116.66 110.13 3khj n ARG 27 Ca 0.27 0.29 0.06 0.00 -1.00 0.00 0.00 57.85 57.47 3khj n ARG 27 Cb 0.92 -1.77 0.30 0.00 -1.05 0.00 0.00 32.46 30.86 3khj n ARG 27 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 3khj n GLU 28 N -2.09 3.52 -3.45 2.89 1.02 0.42 -4.98 120.64 117.97 3khj n GLU 28 Ca 0.04 -2.98 -0.37 0.00 -0.02 0.00 0.00 57.16 53.82 3khj n GLU 28 Cb 0.30 -2.00 -0.07 0.00 -0.02 0.00 0.00 31.44 29.64 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 -2.85 5.24 -0.18 2.62 1.01 -1.17 -4.85 120.40 120.21 3khj s VAL 29 Ca 0.47 0.64 -0.29 0.00 0.00 0.00 0.00 61.98 62.80 3khj s VAL 29 Cb 0.38 -3.69 0.00 0.00 0.00 0.00 0.00 36.38 33.07 3khj s VAL 29 CO 0.11 0.31 1.04 -0.55 0.00 0.00 0.00 175.10 176.01 3khj s SER 30 N 0.84 7.14 -0.01 3.32 0.15 -0.30 -4.92 113.70 119.92 3khj s SER 30 Ca 0.18 1.46 0.22 0.00 0.70 0.00 0.00 55.95 58.51 3khj s SER 30 Cb -0.14 -2.55 0.65 0.00 -1.71 0.00 0.00 66.02 62.28 3khj s SER 30 CO 0.07 -0.59 1.55 0.18 1.20 0.00 0.00 173.24 175.64 3khj n LEU 31 N 5.85 4.03 -4.75 3.45 4.77 -1.26 -4.26 117.00 124.83 3khj n LEU 31 Ca 0.11 -2.03 -0.41 0.00 -0.03 0.00 0.00 56.01 53.64 3khj n LEU 31 Cb 0.47 -0.50 -0.02 0.00 -2.33 0.00 0.00 43.42 41.04 3khj n LEU 31 CO 0.52 0.98 1.10 -1.61 -1.33 0.00 0.00 177.39 177.05 3khj s GLU 32 N -1.06 4.26 0.19 3.23 2.02 -1.17 -3.88 118.70 122.29 3khj s GLU 32 Ca 0.49 2.33 -0.06 0.00 0.02 0.00 0.00 54.97 57.75 3khj s GLU 32 Cb 0.26 -3.09 -0.02 0.00 0.10 0.00 0.00 34.13 31.38 3khj s GLU 32 CO 0.33 -0.41 0.24 -0.08 0.02 0.00 0.00 175.26 175.36 3khj s THR 33 N -0.24 0.03 -0.20 3.63 -1.32 -0.59 -4.56 115.64 112.39 3khj s THR 33 Ca 0.58 -1.69 -0.15 0.00 -1.21 0.00 0.00 61.69 59.22 3khj s THR 33 Cb -0.42 -2.19 -0.04 0.00 -1.51 0.00 0.00 72.50 68.34 3khj s THR 33 CO 0.46 -0.15 0.34 -0.54 -2.21 0.00 0.00 174.62 172.52 3khj s LYS 34 N -4.06 4.18 -0.09 7.08 1.02 -1.26 -0.07 119.74 126.54 3khj s LYS 34 Ca 0.27 0.12 -0.09 0.00 0.02 0.00 0.00 55.97 56.29 3khj s LYS 34 Cb 0.04 -3.51 -0.07 0.00 -0.52 0.00 0.00 37.83 33.78 3khj s LYS 34 CO 0.07 0.04 0.33 1.25 -0.92 0.00 0.00 175.35 176.11 3khj h LEU 35 N 7.39 -0.12 0.00 3.17 5.85 -1.03 -3.42 115.31 127.15 3khj h LEU 35 Ca -0.38 -0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.18 3khj h LEU 35 Cb 1.16 0.03 0.00 0.00 0.37 0.00 0.00 40.66 42.22 3khj h LEU 35 CO 0.72 0.44 0.00 0.35 -0.34 0.00 0.00 178.44 179.61 3khj n THR 36 N -4.85 0.00 0.26 1.05 -2.24 -0.37 -4.68 114.28 103.46 3khj n THR 36 Ca -0.04 0.00 0.16 0.00 -2.27 0.00 0.00 64.05 61.90 3khj n THR 36 Cb 0.14 -0.03 0.57 0.00 -2.10 0.00 0.00 70.33 68.91 3khj n THR 36 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 3khj h LYS 37 N 0.00 0.00 0.00 -0.78 2.10 -1.75 -3.34 116.57 112.81 3khj h LYS 37 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3khj h LYS 37 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 3khj h LYS 37 CO 0.00 0.02 -0.94 0.09 -2.00 0.00 0.00 179.45 176.62 3khj n ASN 38 N -3.11 4.68 -4.54 7.07 3.02 -1.26 -5.00 115.26 116.11 3khj n ASN 38 Ca 0.01 -0.02 -0.34 0.00 -0.03 0.00 0.00 54.58 54.21 3khj n ASN 38 Cb 0.36 0.97 -0.12 0.00 -0.61 0.00 0.00 39.78 40.38 3khj n ASN 38 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3khj s VAL 39 N -1.90 3.96 0.08 2.41 1.01 -1.25 -5.07 120.40 119.63 3khj s VAL 39 Ca 0.00 -0.35 0.05 0.00 0.00 0.00 0.00 61.98 61.68 3khj s VAL 39 Cb 0.00 -2.71 -0.03 0.00 0.00 0.00 0.00 36.38 33.63 3khj s VAL 39 CO 0.00 0.52 -0.13 -0.94 0.00 0.00 0.00 175.10 174.54 3khj s SER 40 N 0.07 1.67 0.18 3.32 1.04 -1.26 -0.38 113.70 118.34 3khj s SER 40 Ca 0.00 -0.67 0.10 0.00 0.48 0.00 0.00 55.95 55.87 3khj s SER 40 Cb -0.13 -0.04 -0.04 0.00 0.10 0.00 0.00 66.02 65.90 3khj s SER 40 CO 0.03 -0.11 -0.19 -0.76 0.98 0.00 0.00 173.24 173.18 3khj s LEU 41 N -1.93 2.62 0.09 2.42 1.43 0.89 -4.83 118.68 119.37 3khj s LEU 41 Ca 0.00 -0.75 -0.12 0.00 -1.03 0.00 0.00 54.13 52.23 3khj s LEU 41 Cb -0.08 -1.35 -0.20 0.00 0.03 0.00 0.00 46.19 44.59 3khj s LEU 41 CO 0.02 0.12 1.23 0.11 0.23 0.00 0.00 176.35 178.06 3khj h LYS 42 N 3.17 0.68 -6.16 1.70 1.79 -1.77 -1.56 116.57 114.42 3khj h LYS 42 Ca -0.47 -0.70 -0.61 0.00 -2.18 0.00 0.00 60.65 56.70 3khj h LYS 42 Cb 1.20 0.19 -0.28 0.00 -1.58 0.00 0.00 32.23 31.77 3khj h LYS 42 CO 0.49 1.28 -0.85 0.96 -1.08 0.00 0.00 179.45 180.25 3khj s ILE 43 N -3.39 1.73 0.00 1.86 -4.36 -1.23 -3.06 121.20 112.74 3khj s ILE 43 Ca -0.09 -1.09 0.00 0.00 -0.26 0.00 0.00 60.65 59.21 3khj s ILE 43 Cb 0.07 -1.47 0.00 0.00 1.25 0.00 0.00 42.46 42.32 3khj s ILE 43 CO 0.91 0.35 1.54 -0.81 0.24 0.00 0.00 174.94 177.17 3khj n PRO 44 N 2.17 0.99 -4.53 0.37 -0.04 -1.25 -4.05 135.00 128.65 3khj n PRO 44 Ca -0.16 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 62.96 3khj n PRO 44 Cb 0.53 -1.00 -0.11 0.00 -0.04 0.00 0.00 33.50 32.87 3khj n PRO 44 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3khj s LEU 45 N 0.00 3.24 -0.05 1.53 1.43 -1.26 -0.21 118.68 123.36 3khj s LEU 45 Ca 0.00 -0.03 0.02 0.00 -1.03 0.00 0.00 54.13 53.09 3khj s LEU 45 Cb 0.00 -1.73 0.01 0.00 0.03 0.00 0.00 46.19 44.50 3khj s LEU 45 CO 0.00 0.31 -0.09 -0.63 0.23 0.00 0.00 176.35 176.17 3khj s ILE 46 N -0.48 0.86 0.02 -0.59 1.01 -0.25 -3.31 121.20 118.46 3khj s ILE 46 Ca 0.07 -0.34 -0.27 0.00 0.00 0.00 0.00 60.65 60.12 3khj s ILE 46 Cb -0.12 -0.81 -0.04 0.00 0.01 0.00 0.00 42.46 41.50 3khj s ILE 46 CO 0.02 0.29 0.84 -0.94 0.00 0.00 0.00 174.94 175.15 3khj s SER 47 N 0.64 7.25 0.92 3.58 1.04 -1.06 0.08 113.70 126.15 3khj s SER 47 Ca -0.11 1.50 -0.10 0.00 0.48 0.00 0.00 55.95 57.72 3khj s SER 47 Cb -0.14 -2.50 0.15 0.00 0.10 0.00 0.00 66.02 63.63 3khj s SER 47 CO 0.02 -0.10 1.14 -0.44 0.98 0.00 0.00 173.24 174.84 3khj s SER 48 N 0.42 2.84 -1.31 7.02 0.01 -0.64 -2.62 113.70 119.42 3khj s SER 48 Ca 0.43 2.16 -0.08 0.00 1.31 0.00 0.00 55.95 59.78 3khj s SER 48 Cb -0.20 -2.56 0.14 0.00 0.21 0.00 0.00 66.02 63.61 3khj s SER 48 CO 0.24 -3.15 2.14 0.00 0.41 0.00 0.00 173.24 172.88 3khj n ALA 49 N -4.26 6.09 -2.54 1.44 0.00 -1.25 -4.10 120.51 115.89 3khj n ALA 49 Ca 0.11 -4.19 -0.24 0.00 0.00 0.00 0.00 53.44 49.13 3khj n ALA 49 Cb 0.52 -2.89 -0.14 0.00 0.00 0.00 0.00 19.45 16.94 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 -0.29 1.25 0.37 0.00 -1.94 -1.26 -4.63 119.30 112.79 3khj s MET 50 Ca 0.47 -0.78 0.27 0.00 -1.71 0.00 0.00 55.69 53.94 3khj s MET 50 Cb 0.14 -1.28 1.26 0.00 2.01 0.00 0.00 34.83 36.96 3khj s MET 50 CO -0.04 0.33 1.81 0.38 -0.01 0.00 0.00 175.02 177.50 3khj h ASP 51 N 5.17 0.00 0.30 3.03 -0.00 -1.92 -1.82 116.42 121.18 3khj h ASP 51 Ca -0.39 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 56.64 3khj h ASP 51 Cb 1.16 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.49 3khj h ASP 51 CO 0.45 0.00 -0.54 0.35 -0.00 0.00 0.00 179.24 179.50 3khj n THR 52 N -2.47 0.00 0.00 1.15 -2.24 -1.26 -4.64 114.28 104.81 3khj n THR 52 Ca 0.00 -0.05 -0.00 0.00 -2.27 0.00 0.00 64.05 61.73 3khj n THR 52 Cb 0.17 0.51 -0.00 0.00 -2.10 0.00 0.00 70.33 68.91 3khj n THR 52 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 3khj n VAL 53 N -1.18 0.14 -3.98 2.28 0.24 -0.75 -4.39 118.33 110.69 3khj n VAL 53 Ca 0.07 0.03 -0.30 0.00 -2.04 0.00 0.00 64.34 62.10 3khj n VAL 53 Cb 0.35 -1.52 -0.16 0.00 -1.47 0.00 0.00 33.84 31.04 3khj n VAL 53 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 3khj s THR 54 N -2.01 1.61 0.00 3.34 2.01 -0.84 -4.37 115.64 115.38 3khj s THR 54 Ca -0.01 -1.03 0.00 0.00 0.31 0.00 0.00 61.69 60.96 3khj s THR 54 Cb 0.00 -1.72 0.00 0.00 0.01 0.00 0.00 72.50 70.80 3khj s THR 54 CO 0.01 0.13 0.00 -0.62 -0.69 0.00 0.00 174.62 173.44 3khj n GLU 55 N 4.69 2.79 0.13 4.92 1.02 -1.26 -3.77 120.64 129.15 3khj n GLU 55 Ca -0.14 0.00 -0.02 0.00 -0.02 0.00 0.00 57.16 56.98 3khj n GLU 55 Cb 0.46 0.00 0.18 0.00 -0.02 0.00 0.00 31.44 32.06 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 0.08 -0.05 -0.32 2.07 -1.94 -2.55 115.15 112.45 3khj h HIS 56 Ca 0.00 -0.03 -0.16 0.00 -2.85 0.00 0.00 60.37 57.33 3khj h HIS 56 Cb 0.00 -0.01 -0.01 0.00 2.57 0.00 0.00 27.41 29.95 3khj h HIS 56 CO 0.00 0.63 -0.69 1.25 -3.07 0.00 0.00 177.93 176.05 3khj h LEU 57 N 0.05 0.28 0.08 6.12 5.85 -1.94 -2.75 115.31 122.99 3khj h LEU 57 Ca -0.01 -0.18 -0.26 0.00 0.84 0.00 0.00 57.88 58.28 3khj h LEU 57 Cb 1.05 -0.08 0.02 0.00 0.37 0.00 0.00 40.66 42.02 3khj h LEU 57 CO 0.08 0.88 -1.06 -0.03 -0.34 0.00 0.00 178.44 177.97 3khj h MET 58 N 0.16 0.57 -0.23 1.25 4.05 -1.51 -3.24 114.93 115.98 3khj h MET 58 Ca -0.02 -0.73 -0.06 0.00 -0.28 0.00 0.00 59.70 58.61 3khj h MET 58 Cb 1.23 0.23 -0.01 0.00 -0.80 0.00 0.00 31.60 32.25 3khj h MET 58 CO 0.11 1.31 -0.13 0.00 0.23 0.00 0.00 176.91 178.43 3khj h ALA 59 N 0.29 1.36 -0.42 0.39 0.00 -1.47 -1.24 119.26 118.18 3khj h ALA 59 Ca -0.16 -0.24 -0.09 0.00 0.00 0.00 0.00 54.91 54.43 3khj h ALA 59 Cb 1.75 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.42 3khj h ALA 59 CO 0.20 0.43 -0.08 0.28 0.00 0.00 0.00 179.25 180.09 3khj h VAL 60 N 0.35 1.27 -0.80 0.00 2.07 -1.60 -2.12 116.25 115.43 3khj h VAL 60 Ca 0.07 -1.16 -0.05 0.00 0.82 0.00 0.00 66.70 66.38 3khj h VAL 60 Cb 0.44 1.17 -0.04 0.00 -1.52 0.00 0.00 31.29 31.35 3khj h VAL 60 CO 0.03 0.39 0.32 1.23 0.02 0.00 0.00 177.57 179.55 3khj h GLY 61 N 0.61 1.28 1.05 2.17 0.00 -1.48 -2.58 103.07 104.12 3khj h GLY 61 Ca 0.11 -0.69 -0.10 0.00 0.00 0.00 0.00 47.33 46.64 3khj h GLY 61 CO 0.04 0.65 -0.11 -0.33 0.00 0.00 0.00 176.54 176.79 3khj h MET 62 N 1.16 0.92 -0.23 4.80 2.86 -1.17 -3.03 114.93 120.24 3khj h MET 62 Ca 0.27 -0.35 -0.11 0.00 -2.06 0.00 0.00 59.70 57.45 3khj h MET 62 Cb 0.22 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.81 3khj h MET 62 CO -0.02 1.00 -0.32 0.00 1.06 0.00 0.00 176.91 178.63 3khj h ALA 63 N 0.88 1.03 0.00 6.32 0.00 -1.30 -1.79 119.26 124.40 3khj h ALA 63 Ca 0.12 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.65 3khj h ALA 63 Cb 0.66 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.34 3khj h ALA 63 CO 0.05 0.59 0.00 0.07 0.00 0.00 0.00 179.25 179.96 3khj h ARG 64 N 0.40 0.00 0.00 0.00 0.11 -1.45 -3.19 114.38 110.26 3khj h ARG 64 Ca 0.05 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.13 3khj h ARG 64 Cb 0.76 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.84 3khj h ARG 64 CO 0.06 0.00 -1.75 1.28 0.10 0.00 0.00 179.97 179.66 3khj n LEU 65 N -2.72 0.21 0.00 0.08 4.77 -1.04 -5.00 117.00 113.30 3khj n LEU 65 Ca 0.03 0.03 0.00 0.00 -0.03 0.00 0.00 56.01 56.03 3khj n LEU 65 Cb 0.36 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.43 3khj n LEU 65 CO 0.27 -0.02 0.00 0.61 -1.33 0.00 0.00 177.39 176.93 3khj n GLY 66 N 1.26 1.79 0.00 -0.72 0.00 -0.92 -4.70 105.19 101.91 3khj n GLY 66 Ca -0.03 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.84 3khj n GLY 66 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3khj n GLY 67 N 0.00 0.78 3.21 -0.02 0.00 -0.72 -2.43 105.19 106.01 3khj n GLY 67 Ca 0.00 -1.83 -0.12 0.00 0.00 0.00 0.00 46.02 44.07 3khj n GLY 67 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3khj s ILE 68 N 1.14 0.16 0.04 -0.61 -5.25 -1.21 -3.24 121.20 112.23 3khj s ILE 68 Ca 0.00 -1.98 0.08 0.00 -0.99 0.00 0.00 60.65 57.77 3khj s ILE 68 Cb 0.00 -2.39 -0.03 0.00 2.95 0.00 0.00 42.46 42.99 3khj s ILE 68 CO 0.00 -0.14 -0.23 -0.83 -1.79 0.00 0.00 174.94 171.95 3khj s GLY 69 N -3.16 1.48 -0.30 6.27 0.00 -1.26 -2.56 107.32 107.79 3khj s GLY 69 Ca 0.34 -1.24 -0.05 0.00 0.00 0.00 0.00 44.72 43.77 3khj s GLY 69 CO 0.09 -1.13 0.05 -0.42 0.00 0.00 0.00 173.10 171.70 3khj s ILE 70 N -0.86 3.57 0.16 0.90 -1.09 -1.08 -0.64 121.20 122.16 3khj s ILE 70 Ca 0.13 -0.98 -0.30 0.00 -2.23 0.00 0.00 60.65 57.27 3khj s ILE 70 Cb -0.10 -2.92 -0.08 0.00 -1.58 0.00 0.00 42.46 37.78 3khj s ILE 70 CO 0.03 -0.00 1.20 -0.63 -1.23 0.00 0.00 174.94 174.32 3khj s ILE 71 N 1.40 3.66 1.00 2.92 1.09 -0.97 -3.78 121.20 126.53 3khj s ILE 71 Ca -0.00 1.34 -0.12 0.00 -1.10 0.00 0.00 60.65 60.77 3khj s ILE 71 Cb -0.18 -3.86 0.19 0.00 -1.06 0.00 0.00 42.46 37.55 3khj s ILE 71 CO 0.01 0.19 1.08 -1.38 -0.10 0.00 0.00 174.94 174.74 3khj s HIS 72 N 0.22 1.90 -1.10 3.97 -3.43 -1.25 -1.06 115.29 114.54 3khj s HIS 72 Ca 0.54 1.26 0.17 0.00 -0.80 0.00 0.00 55.06 56.23 3khj s HIS 72 Cb -0.32 -3.18 0.59 0.00 -1.43 0.00 0.00 32.58 28.24 3khj s HIS 72 CO 0.35 -2.98 1.51 0.36 -2.00 0.00 0.00 174.74 171.97 3khj n LYS 73 N -4.29 3.28 -1.36 -0.38 2.85 -1.26 -4.67 118.16 112.32 3khj n LYS 73 Ca 0.06 -2.66 -0.25 0.00 -1.05 0.00 0.00 58.31 54.41 3khj n LYS 73 Cb 0.55 -1.69 -0.04 0.00 -0.65 0.00 0.00 35.03 33.19 3khj n LYS 73 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 3khj n ASN 74 N 0.87 6.45 -2.93 -5.58 4.13 -1.26 -4.88 115.26 112.05 3khj n ASN 74 Ca 0.22 -3.16 -0.11 0.00 1.68 0.00 0.00 54.58 53.20 3khj n ASN 74 Cb 0.74 -1.20 0.01 0.00 -1.54 0.00 0.00 39.78 37.78 3khj n ASN 74 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3khj s MET 75 N -1.67 2.18 0.59 3.52 0.23 -1.26 -5.07 119.30 117.81 3khj s MET 75 Ca 0.54 -1.60 -0.18 0.00 -1.03 0.00 0.00 55.69 53.42 3khj s MET 75 Cb 0.36 0.57 -0.04 0.00 -1.53 0.00 0.00 34.83 34.19 3khj s MET 75 CO -0.17 -0.99 1.15 0.16 -2.03 0.00 0.00 175.02 173.14 3khj s ASP 76 N -3.15 5.38 0.18 -1.18 -4.77 -1.26 -4.85 116.67 107.02 3khj s ASP 76 Ca 0.21 2.21 -0.13 0.00 -3.30 0.00 0.00 52.55 51.55 3khj s ASP 76 Cb -0.04 -2.58 0.16 0.00 -1.09 0.00 0.00 42.92 39.37 3khj s ASP 76 CO 0.15 -1.45 1.76 0.24 0.70 0.00 0.00 175.17 176.57 3khj h MET 77 N 0.82 0.41 -0.01 2.11 0.00 -1.99 0.17 114.93 116.44 3khj h MET 77 Ca -0.49 -0.02 -0.10 0.00 0.00 0.00 0.00 59.70 59.08 3khj h MET 77 Cb 1.27 -0.09 -0.01 0.00 0.00 0.00 0.00 31.60 32.77 3khj h MET 77 CO 0.55 0.27 -0.46 0.93 0.00 0.00 0.00 176.91 178.20 3khj h GLU 78 N 0.42 0.02 -0.36 1.72 3.07 -1.99 -2.44 114.58 115.01 3khj h GLU 78 Ca 0.23 -0.01 -0.13 0.00 -0.50 0.00 0.00 59.36 58.95 3khj h GLU 78 Cb 0.21 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.11 3khj h GLU 78 CO -0.21 0.48 -0.29 0.77 -1.40 0.00 0.00 179.01 178.36 3khj h SER 79 N 0.02 0.87 -0.36 1.42 0.02 -1.72 -1.37 113.55 112.42 3khj h SER 79 Ca -0.00 -0.45 -0.08 0.00 -0.84 0.00 0.00 61.79 60.42 3khj h SER 79 Cb 0.82 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 63.10 3khj h SER 79 CO 0.06 1.14 -0.03 -0.61 -1.14 0.00 0.00 176.83 176.25 3khj h GLN 80 N 0.62 0.76 -0.24 3.45 4.15 -0.84 -0.91 115.11 122.10 3khj h GLN 80 Ca 0.07 -0.21 -0.13 0.00 0.77 0.00 0.00 58.65 59.15 3khj h GLN 80 Cb 0.86 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 28.46 3khj h GLN 80 CO 0.07 0.79 -0.39 0.28 -1.93 0.00 0.00 178.83 177.65 3khj h VAL 81 N 0.70 1.30 0.00 2.39 2.07 -1.41 -2.47 116.25 118.82 3khj h VAL 81 Ca 0.13 -1.54 -0.05 0.00 0.82 0.00 0.00 66.70 66.07 3khj h VAL 81 Cb 0.47 1.53 -0.01 0.00 -1.52 0.00 0.00 31.29 31.77 3khj h VAL 81 CO 0.02 0.48 -0.25 0.78 0.02 0.00 0.00 177.57 178.63 3khj h ASN 82 N 0.46 0.00 0.00 0.57 4.21 -0.67 -2.44 115.58 117.71 3khj h ASN 82 Ca 0.04 0.00 -0.20 0.00 1.21 0.00 0.00 56.30 57.36 3khj h ASN 82 Cb 0.88 0.00 0.02 0.00 -1.12 0.00 0.00 38.32 38.09 3khj h ASN 82 CO 0.07 0.25 -0.77 -0.33 -1.29 0.00 0.00 177.43 175.36 3khj h GLU 83 N 0.00 0.52 0.00 0.81 4.39 -0.93 -3.23 114.58 116.14 3khj h GLU 83 Ca -0.00 -0.56 -0.09 0.00 0.34 0.00 0.00 59.36 59.05 3khj h GLU 83 Cb 0.60 0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 29.40 3khj h GLU 83 CO 0.03 1.19 -0.42 -0.24 -1.16 0.00 0.00 179.01 178.42 3khj h VAL 84 N 0.08 0.93 0.00 3.13 3.04 -1.36 -3.08 116.25 119.00 3khj h VAL 84 Ca -0.10 -1.68 -0.10 0.00 -1.01 0.00 0.00 66.70 63.81 3khj h VAL 84 Cb 1.46 2.02 -0.01 0.00 -2.01 0.00 0.00 31.29 32.75 3khj h VAL 84 CO 0.15 0.41 -0.49 -0.07 -1.01 0.00 0.00 177.57 176.56 3khj h LEU 85 N 0.00 0.00 -1.55 3.16 3.38 -1.54 -3.23 115.31 115.53 3khj h LEU 85 Ca -0.00 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 3khj h LEU 85 Cb 0.98 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.73 3khj h LEU 85 CO 0.05 0.49 -0.19 0.11 0.09 0.00 0.00 178.44 179.00 3khj h LYS 86 N 0.00 0.05 -0.03 1.13 1.79 -1.55 -2.52 116.57 115.45 3khj h LYS 86 Ca -0.00 -0.01 -0.14 0.00 -2.18 0.00 0.00 60.65 58.31 3khj h LYS 86 Cb 1.23 -0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 31.86 3khj h LYS 86 CO 0.06 0.24 -0.64 0.28 -1.08 0.00 0.00 179.45 178.32 3khj h VAL 87 N 0.05 1.43 0.00 0.50 2.07 -1.67 -3.19 116.25 115.43 3khj h VAL 87 Ca 0.01 -2.12 -0.02 0.00 0.82 0.00 0.00 66.70 65.39 3khj h VAL 87 Cb 0.36 2.12 -0.00 0.00 -1.52 0.00 0.00 31.29 32.25 3khj h VAL 87 CO 0.03 0.62 -0.09 0.11 0.02 0.00 0.00 177.57 178.25 3khj h LYS 88 N 0.08 0.00 -7.01 1.57 1.79 -1.56 -3.37 116.57 108.07 3khj h LYS 88 Ca -0.01 0.00 -0.49 0.00 -2.18 0.00 0.00 60.65 57.97 3khj h LYS 88 Cb 1.14 0.00 0.04 0.00 -1.58 0.00 0.00 32.23 31.83 3khj h LYS 88 CO 0.09 0.09 0.43 -0.80 -1.08 0.00 0.00 179.45 178.18 3khj s ASN 89 N -6.00 6.35 -1.08 0.86 0.02 -1.21 -4.16 114.94 109.71 3khj s ASN 89 Ca -0.03 2.13 -0.17 0.00 -1.02 0.00 0.00 52.86 53.76 3khj s ASN 89 Cb 0.13 -2.59 -0.01 0.00 0.02 0.00 0.00 41.25 38.80 3khj s ASN 89 CO 0.56 -0.78 0.79 -1.20 0.02 0.00 0.00 177.10 176.48 3khj n SER 90 N -0.53 -5.57 0.00 -1.22 7.64 -1.26 -4.82 113.62 107.85 3khj n SER 90 Ca 0.07 -0.93 0.00 0.00 1.01 0.00 0.00 58.87 59.02 3khj n SER 90 Cb 0.50 -3.50 0.00 0.00 -1.01 0.00 0.00 64.21 60.19 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 -1.66 2.70 2.77 0.23 0.00 -1.26 -4.90 105.19 103.07 3khj n GLY 91 Ca -0.10 -1.41 -0.41 0.00 0.00 0.00 0.00 46.02 44.11 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 1.57 3.87 3.74 -0.02 0.00 -1.26 -4.55 105.19 108.55 3khj n GLY 92 Ca 0.00 -1.46 -0.40 0.00 0.00 0.00 0.00 46.02 44.15 3khj n GLY 92 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3khj s LEU 135 N 1.61 4.56 0.38 0.99 1.43 -1.26 -5.04 118.68 121.36 3khj s LEU 135 Ca 0.52 1.83 -0.24 0.00 -1.03 0.00 0.00 54.13 55.21 3khj s LEU 135 Cb 0.14 -3.56 -0.10 0.00 0.03 0.00 0.00 46.19 42.71 3khj s LEU 135 CO -0.03 0.05 0.98 -0.13 0.23 0.00 0.00 176.35 177.45 3khj s ARG 136 N -0.57 4.34 -0.17 1.70 0.52 -1.26 -4.64 118.95 118.88 3khj s ARG 136 Ca 0.43 1.34 -0.28 0.00 -0.52 0.00 0.00 55.73 56.71 3khj s ARG 136 Cb -0.24 -2.55 0.08 0.00 0.52 0.00 0.00 34.95 32.75 3khj s ARG 136 CO 0.30 0.05 0.73 0.54 0.02 0.00 0.00 175.30 176.94 3khj s VAL 137 N -1.77 0.00 0.52 3.52 0.11 -1.26 -4.64 120.40 116.88 3khj s VAL 137 Ca 0.56 0.00 0.05 0.00 -2.93 0.00 0.00 61.98 59.66 3khj s VAL 137 Cb -0.17 -1.00 0.02 0.00 -1.53 0.00 0.00 36.38 33.69 3khj s VAL 137 CO 0.22 0.00 0.32 -0.83 -3.33 0.00 0.00 175.10 171.48 3khj s GLY 138 N -0.39 2.46 -0.06 6.54 0.00 0.18 -2.18 107.32 113.86 3khj s GLY 138 Ca -0.05 -1.25 -0.23 0.00 0.00 0.00 0.00 44.72 43.20 3khj s GLY 138 CO 0.05 -1.96 0.51 0.00 0.00 0.00 0.00 173.10 171.69 3khj s ALA 139 N -2.75 -1.31 0.26 3.20 0.00 -1.06 -2.29 121.76 117.81 3khj s ALA 139 Ca 0.31 0.96 -0.04 0.00 0.00 0.00 0.00 51.96 53.19 3khj s ALA 139 Cb -0.01 -0.12 -0.05 0.00 0.00 0.00 0.00 23.12 22.94 3khj s ALA 139 CO 0.19 -0.31 0.51 0.00 0.00 0.00 0.00 175.76 176.15 3khj s ALA 140 N -0.99 3.67 0.08 0.00 0.00 -0.23 -1.27 121.76 123.02 3khj s ALA 140 Ca -0.10 -0.59 0.03 0.00 0.00 0.00 0.00 51.96 51.30 3khj s ALA 140 Cb -0.03 -2.24 -0.03 0.00 0.00 0.00 0.00 23.12 20.82 3khj s ALA 140 CO 0.06 0.33 -0.10 -1.50 0.00 0.00 0.00 175.76 174.56 3khj s ILE 141 N -1.99 0.82 0.00 0.00 1.10 -0.23 -4.62 121.20 116.27 3khj s ILE 141 Ca 0.43 -1.47 0.00 0.00 -0.51 0.00 0.00 60.65 59.10 3khj s ILE 141 Cb -0.11 -1.14 0.00 0.00 0.15 0.00 0.00 42.46 41.36 3khj s ILE 141 CO 0.29 -0.50 0.00 0.61 -2.11 0.00 0.00 174.94 173.22 3khj n GLY 142 N 0.84 -1.51 0.10 1.50 0.00 -1.26 -1.83 105.19 103.03 3khj n GLY 142 Ca -0.18 -1.55 0.04 0.00 0.00 0.00 0.00 46.02 44.33 3khj n GLY 142 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3khj n VAL 143 N -1.08 0.99 -2.15 1.61 0.24 -1.26 -4.44 118.33 112.25 3khj n VAL 143 Ca 0.00 -0.65 0.01 0.00 -2.04 0.00 0.00 64.34 61.66 3khj n VAL 143 Cb 0.00 -0.59 0.00 0.00 -1.47 0.00 0.00 33.84 31.78 3khj n VAL 143 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 3khj n ASN 144 N -2.80 0.22 -4.60 -1.34 5.03 -1.26 -4.44 115.26 106.06 3khj n ASN 144 Ca -0.07 -1.87 -0.38 0.00 0.87 0.00 0.00 54.58 53.13 3khj n ASN 144 Cb 0.75 -0.17 -0.11 0.00 -1.02 0.00 0.00 39.78 39.23 3khj n ASN 144 CO 0.00 0.00 0.00 -1.61 -1.83 0.00 0.00 177.26 173.82 3khj s GLU 145 N 0.00 3.97 -0.13 3.52 2.02 -1.26 -4.94 118.70 121.88 3khj s GLU 145 Ca 0.10 -0.31 0.07 0.00 0.02 0.00 0.00 54.97 54.84 3khj s GLU 145 Cb 0.11 -3.64 -0.13 0.00 0.10 0.00 0.00 34.13 30.58 3khj s GLU 145 CO -0.05 -0.15 -0.02 -0.89 0.02 0.00 0.00 175.26 174.17 3khj n ILE 146 N 4.95 0.81 -0.08 -1.63 5.41 -1.26 -4.40 119.36 123.15 3khj n ILE 146 Ca -0.14 -0.43 -0.12 0.00 1.00 0.00 0.00 62.75 63.06 3khj n ILE 146 Cb 0.52 -0.82 -0.04 0.00 -0.71 0.00 0.00 39.64 38.59 3khj n ILE 146 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 176.55 176.47 3khj h GLU 147 N 0.00 0.46 -0.92 0.38 4.57 -1.99 -1.05 114.58 116.03 3khj h GLU 147 Ca -0.32 -0.17 0.03 0.00 -1.18 0.00 0.00 59.36 57.72 3khj h GLU 147 Cb 1.64 -0.03 -0.05 0.00 -0.16 0.00 0.00 28.75 30.14 3khj h GLU 147 CO -0.01 0.67 0.60 -0.09 -1.18 0.00 0.00 179.01 179.01 3khj h ARG 148 N 0.22 1.14 -0.40 1.92 2.43 -1.99 -1.52 114.38 116.18 3khj h ARG 148 Ca 0.06 -0.07 -0.04 0.00 -0.81 0.00 0.00 59.98 59.13 3khj h ARG 148 Cb 0.49 -0.26 -0.02 0.00 -0.42 0.00 0.00 29.97 29.77 3khj h ARG 148 CO 0.02 0.75 0.10 0.00 -1.51 0.00 0.00 179.97 179.33 3khj h ALA 149 N 1.37 0.53 -0.75 2.80 0.00 -1.73 -3.03 119.26 118.45 3khj h ALA 149 Ca 0.36 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 3khj h ALA 149 Cb -0.02 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 3khj h ALA 149 CO -0.11 0.20 0.34 -0.22 0.00 0.00 0.00 179.25 179.46 3khj h LYS 150 N 0.50 1.09 -0.54 0.00 3.64 -0.81 -2.93 116.57 117.52 3khj h LYS 150 Ca 0.13 -0.16 -0.07 0.00 -1.27 0.00 0.00 60.65 59.27 3khj h LYS 150 Cb 0.31 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 31.91 3khj h LYS 150 CO 0.00 0.85 0.07 -0.07 -2.27 0.00 0.00 179.45 178.03 3khj h LEU 151 N 1.07 0.83 -0.67 5.20 3.38 -1.23 -3.16 115.31 120.73 3khj h LEU 151 Ca 0.26 -0.18 -0.14 0.00 0.09 0.00 0.00 57.88 57.91 3khj h LEU 151 Cb 0.14 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 3khj h LEU 151 CO -0.03 0.85 -0.47 -0.07 0.09 0.00 0.00 178.44 178.82 3khj h LEU 152 N 0.82 0.51 -0.71 1.67 3.38 -1.39 -2.86 115.31 116.73 3khj h LEU 152 Ca 0.17 -0.24 -0.05 0.00 0.09 0.00 0.00 57.88 57.84 3khj h LEU 152 Cb 0.40 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.97 3khj h LEU 152 CO 0.01 0.90 0.25 0.58 0.09 0.00 0.00 178.44 180.27 3khj h VAL 153 N 0.38 1.25 0.00 1.22 2.07 -1.51 -2.35 116.25 117.31 3khj h VAL 153 Ca 0.02 -0.84 -0.03 0.00 0.82 0.00 0.00 66.70 66.67 3khj h VAL 153 Cb 0.97 0.47 -0.00 0.00 -1.52 0.00 0.00 31.29 31.20 3khj h VAL 153 CO 0.08 0.33 -0.15 -0.33 0.02 0.00 0.00 177.57 177.52 3khj h GLU 154 N 1.02 0.00 -0.02 1.57 3.07 -1.51 -2.41 114.58 116.31 3khj h GLU 154 Ca 0.23 0.00 -0.21 0.00 -0.50 0.00 0.00 59.36 58.88 3khj h GLU 154 Cb 0.26 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.17 3khj h GLU 154 CO -0.01 0.15 -0.89 0.00 -1.40 0.00 0.00 179.01 176.86 3khj h ALA 155 N 1.85 0.42 0.00 3.43 0.00 -1.22 -3.48 119.26 120.27 3khj h ALA 155 Ca -0.00 -0.69 0.00 0.00 0.00 0.00 0.00 54.91 54.22 3khj h ALA 155 Cb 0.39 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.15 3khj h ALA 155 CO 0.02 0.81 0.00 0.41 0.00 0.00 0.00 179.25 180.49 3khj n GLY 156 N 0.86 1.76 3.77 0.00 0.00 -0.90 -4.92 105.19 105.75 3khj n GLY 156 Ca -0.06 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.57 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 -1.90 2.87 -0.01 1.61 0.11 -1.04 -4.92 120.40 117.13 3khj s VAL 157 Ca 0.00 0.77 -0.13 0.00 -2.93 0.00 0.00 61.98 59.68 3khj s VAL 157 Cb 0.00 -3.44 -0.33 0.00 -1.53 0.00 0.00 36.38 31.07 3khj s VAL 157 CO 0.00 0.10 0.84 0.44 -3.33 0.00 0.00 175.10 173.14 3khj h ASP 158 N 2.71 0.74 -4.53 3.54 5.19 -1.81 -3.47 116.42 118.80 3khj h ASP 158 Ca -0.49 -0.92 -0.11 0.00 -0.62 0.00 0.00 57.03 54.88 3khj h ASP 158 Cb 1.24 -0.24 -0.22 0.00 0.18 0.00 0.00 39.33 40.29 3khj h ASP 158 CO 0.63 1.75 -0.22 0.54 -3.12 0.00 0.00 179.24 178.82 3khj s VAL 159 N -2.59 0.03 -0.13 -1.35 0.11 -1.26 -4.35 120.40 110.86 3khj s VAL 159 Ca -0.12 -0.23 -0.00 0.00 -2.93 0.00 0.00 61.98 58.69 3khj s VAL 159 Cb 0.05 -0.63 -0.02 0.00 -1.53 0.00 0.00 36.38 34.25 3khj s VAL 159 CO 0.90 -0.13 -0.12 -0.63 -3.33 0.00 0.00 175.10 171.80 3khj s ILE 160 N -0.67 3.18 -0.38 7.04 1.01 -0.98 -2.57 121.20 127.82 3khj s ILE 160 Ca -0.08 -0.62 -0.13 0.00 0.00 0.00 0.00 60.65 59.83 3khj s ILE 160 Cb -0.04 -2.34 0.02 0.00 0.01 0.00 0.00 42.46 40.11 3khj s ILE 160 CO 0.03 0.53 0.25 -0.69 0.00 0.00 0.00 174.94 175.06 3khj s VAL 161 N 0.24 4.92 -0.77 2.92 1.01 -0.39 -0.14 120.40 128.18 3khj s VAL 161 Ca -0.08 -0.70 -0.26 0.00 0.00 0.00 0.00 61.98 60.94 3khj s VAL 161 Cb -0.15 -3.71 0.02 0.00 0.00 0.00 0.00 36.38 32.54 3khj s VAL 161 CO 0.05 -0.23 1.45 -0.22 0.00 0.00 0.00 175.10 176.14 3khj s LEU 162 N 1.62 3.24 -0.15 3.92 0.20 0.29 -1.07 118.68 126.74 3khj s LEU 162 Ca 0.04 -0.47 -0.16 0.00 0.69 0.00 0.00 54.13 54.23 3khj s LEU 162 Cb -0.19 -2.56 -0.04 0.00 -0.43 0.00 0.00 46.19 42.97 3khj s LEU 162 CO 0.08 -1.93 0.38 -0.62 -0.29 0.00 0.00 176.35 173.97 3khj s ASP 163 N 4.95 6.54 -0.04 3.68 3.68 -0.76 -2.05 116.67 132.68 3khj s ASP 163 Ca 0.44 0.64 -0.19 0.00 2.13 0.00 0.00 52.55 55.58 3khj s ASP 163 Cb -0.08 -2.23 0.04 0.00 -1.45 0.00 0.00 42.92 39.20 3khj s ASP 163 CO 0.11 0.04 0.42 -0.55 0.13 0.00 0.00 175.17 175.32 3khj s SER 164 N 0.59 -0.34 0.29 -0.34 0.15 -0.85 -4.43 113.70 108.77 3khj s SER 164 Ca 0.21 0.35 0.01 0.00 0.70 0.00 0.00 55.95 57.22 3khj s SER 164 Cb -0.14 0.45 0.44 0.00 -1.71 0.00 0.00 66.02 65.05 3khj s SER 164 CO 0.07 -0.45 1.79 0.00 1.20 0.00 0.00 173.24 175.85 3khj h ALA 165 N 3.87 1.19 -3.23 5.45 0.00 -1.94 -2.46 119.26 122.14 3khj h ALA 165 Ca -0.29 -0.26 -0.59 0.00 0.00 0.00 0.00 54.91 53.77 3khj h ALA 165 Cb 1.17 -0.16 -0.40 0.00 0.00 0.00 0.00 17.79 18.39 3khj h ALA 165 CO 0.37 0.53 -0.75 -1.58 0.00 0.00 0.00 179.25 177.82 3khj s HIS 166 N -4.88 1.97 0.14 0.00 5.65 -1.26 -4.67 115.29 112.24 3khj s HIS 166 Ca -0.08 -1.89 0.24 0.00 0.25 0.00 0.00 55.06 53.58 3khj s HIS 166 Cb 0.15 -1.86 0.92 0.00 -1.18 0.00 0.00 32.58 30.61 3khj s HIS 166 CO 0.79 -0.88 1.83 0.78 -0.65 0.00 0.00 174.74 176.61 3khj h GLY 167 N 8.03 0.00 -7.28 1.59 0.00 -1.29 -3.37 103.07 100.75 3khj h GLY 167 Ca -0.12 0.00 -0.77 0.00 0.00 0.00 0.00 47.33 46.44 3khj h GLY 167 CO 0.48 0.00 1.23 1.57 0.00 0.00 0.00 176.54 179.82 3khj n HIS 168 N -3.40 4.21 -4.04 5.60 -0.00 -1.26 -4.77 115.22 111.56 3khj n HIS 168 Ca 0.00 -3.25 -0.09 0.00 0.46 0.00 0.00 57.72 54.84 3khj n HIS 168 Cb 0.43 -1.90 -0.09 0.00 -0.12 0.00 0.00 29.99 28.31 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 1.40 0.21 0.24 0.26 1.04 -1.26 -5.06 113.70 110.53 3khj s SER 169 Ca 0.38 -1.00 -0.06 0.00 0.48 0.00 0.00 55.95 55.75 3khj s SER 169 Cb -0.01 0.34 0.32 0.00 0.10 0.00 0.00 66.02 66.77 3khj s SER 169 CO -0.00 -0.77 1.84 -0.07 0.98 0.00 0.00 173.24 175.22 3khj h LEU 170 N 2.77 0.79 -1.89 2.42 3.38 -1.96 -2.86 115.31 117.97 3khj h LEU 170 Ca -0.34 0.02 0.04 0.00 0.09 0.00 0.00 57.88 57.69 3khj h LEU 170 Cb 1.20 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.80 3khj h LEU 170 CO 0.56 0.50 0.16 0.78 0.09 0.00 0.00 178.44 180.53 3khj h ASN 171 N 0.92 0.13 0.10 -0.43 2.35 -1.96 -2.35 115.58 114.33 3khj h ASN 171 Ca 0.36 -0.00 -0.15 0.00 -0.55 0.00 0.00 56.30 55.96 3khj h ASN 171 Cb 0.18 -0.03 0.01 0.00 0.05 0.00 0.00 38.32 38.53 3khj h ASN 171 CO -0.18 0.09 -0.70 0.40 -1.65 0.00 0.00 177.43 175.39 3khj h ILE 172 N 0.15 1.50 -0.79 2.81 1.08 -1.72 -3.14 117.51 117.40 3khj h ILE 172 Ca 0.10 -2.46 0.08 0.00 -0.39 0.00 0.00 64.86 62.19 3khj h ILE 172 Cb 0.21 3.16 -0.07 0.00 -3.07 0.00 0.00 36.82 37.05 3khj h ILE 172 CO -0.01 0.67 0.46 0.40 -0.69 0.00 0.00 178.15 178.98 3khj h ILE 173 N -0.55 0.94 -0.43 -0.67 2.04 -1.36 0.15 117.51 117.64 3khj h ILE 173 Ca -0.13 -0.27 -0.08 0.00 1.00 0.00 0.00 64.86 65.37 3khj h ILE 173 Cb 1.48 0.08 -0.02 0.00 -0.74 0.00 0.00 36.82 37.62 3khj h ILE 173 CO 0.09 0.15 -0.07 0.03 0.00 0.00 0.00 178.15 178.34 3khj h ARG 174 N 0.80 0.74 -0.11 2.37 -0.00 -1.57 -3.04 114.38 113.56 3khj h ARG 174 Ca 0.37 -0.22 -0.18 0.00 -0.50 0.00 0.00 59.98 59.45 3khj h ARG 174 Cb 0.29 -0.07 -0.00 0.00 0.00 0.00 0.00 29.97 30.18 3khj h ARG 174 CO -0.22 0.80 -0.67 1.15 0.00 0.00 0.00 179.97 181.03 3khj h THR 175 N 0.68 1.36 0.38 2.04 2.02 -1.20 -2.77 112.91 115.42 3khj h THR 175 Ca 0.12 -2.01 -0.02 0.00 0.77 0.00 0.00 66.41 65.27 3khj h THR 175 Cb 0.52 1.99 0.00 0.00 -1.74 0.00 0.00 68.15 68.93 3khj h THR 175 CO 0.03 0.61 -0.18 0.25 0.37 0.00 0.00 175.52 176.60 3khj h LEU 176 N 0.33 -0.43 -1.11 2.58 6.46 -0.65 -1.96 115.31 120.52 3khj h LEU 176 Ca -0.02 0.01 -0.03 0.00 -0.12 0.00 0.00 57.88 57.72 3khj h LEU 176 Cb 1.23 0.11 -0.00 0.00 -0.73 0.00 0.00 40.66 41.26 3khj h LEU 176 CO 0.12 -0.31 -0.16 0.07 -0.62 0.00 0.00 178.44 177.54 3khj h LYS 177 N -0.52 0.00 -0.39 1.25 5.09 -1.63 -1.50 116.57 118.87 3khj h LYS 177 Ca -0.05 0.00 -0.06 0.00 0.09 0.00 0.00 60.65 60.62 3khj h LYS 177 Cb 0.40 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 32.71 3khj h LYS 177 CO 0.09 0.16 -0.01 1.49 -2.09 0.00 0.00 179.45 179.08 3khj h GLU 178 N 0.00 0.70 -0.16 0.07 4.57 -1.23 0.11 114.58 118.64 3khj h GLU 178 Ca -0.00 -0.23 -0.18 0.00 -1.18 0.00 0.00 59.36 57.77 3khj h GLU 178 Cb 0.71 -0.06 -0.00 0.00 -0.16 0.00 0.00 28.75 29.24 3khj h GLU 178 CO 0.02 0.80 -0.63 0.82 -1.18 0.00 0.00 179.01 178.83 3khj h ILE 179 N 0.52 1.33 -0.29 2.32 2.04 -1.17 -2.95 117.51 119.31 3khj h ILE 179 Ca 0.11 -1.91 -0.19 0.00 1.00 0.00 0.00 64.86 63.87 3khj h ILE 179 Cb 0.49 1.88 0.00 0.00 -0.74 0.00 0.00 36.82 38.45 3khj h ILE 179 CO 0.02 0.59 -0.54 0.11 0.00 0.00 0.00 178.15 178.33 3khj h LYS 180 N 0.42 0.89 0.00 2.37 1.79 -1.16 0.20 116.57 121.07 3khj h LYS 180 Ca -0.01 -0.56 -0.09 0.00 -2.18 0.00 0.00 60.65 57.81 3khj h LYS 180 Cb 1.20 0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 31.90 3khj h LYS 180 CO 0.12 1.20 -0.43 0.66 -1.08 0.00 0.00 179.45 179.92 3khj h SER 181 N 0.68 0.00 0.00 0.86 4.64 -0.87 -3.36 113.55 115.49 3khj h SER 181 Ca 0.02 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 61.10 3khj h SER 181 Cb 1.15 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.21 3khj h SER 181 CO 0.12 0.43 -1.44 1.17 -0.87 0.00 0.00 176.83 176.24 3khj n LYS 182 N -3.35 0.55 -3.62 4.77 3.00 -1.11 -5.04 118.16 113.36 3khj n LYS 182 Ca 0.01 0.47 -0.22 0.00 -0.00 0.00 0.00 58.31 58.56 3khj n LYS 182 Cb 0.62 -1.65 -0.01 0.00 0.00 0.00 0.00 35.03 33.98 3khj n LYS 182 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.40 175.76 3khj s MET 183 N -2.42 2.41 -0.01 1.64 -1.94 0.69 -5.07 119.30 114.60 3khj s MET 183 Ca -0.29 -1.71 0.08 0.00 -1.71 0.00 0.00 55.69 52.06 3khj s MET 183 Cb 0.07 -2.31 -0.12 0.00 2.01 0.00 0.00 34.83 34.48 3khj s MET 183 CO 0.49 -0.41 0.21 0.27 -0.01 0.00 0.00 175.02 175.58 3khj n ASN 184 N -1.69 2.57 -4.76 3.03 0.23 -1.26 -4.44 115.26 108.93 3khj n ASN 184 Ca 0.03 -0.14 -0.30 0.00 -0.53 0.00 0.00 54.58 53.64 3khj n ASN 184 Cb 0.63 1.30 0.10 0.00 -2.08 0.00 0.00 39.78 39.73 3khj n ASN 184 CO 0.00 0.00 0.00 -0.51 -0.93 0.00 0.00 177.26 175.82 3khj s ILE 185 N -2.41 3.07 0.57 1.53 1.10 -1.26 -5.02 121.20 118.79 3khj s ILE 185 Ca -0.02 0.35 -0.19 0.00 -0.51 0.00 0.00 60.65 60.28 3khj s ILE 185 Cb 0.05 -2.93 -0.04 0.00 0.15 0.00 0.00 42.46 39.69 3khj s ILE 185 CO 0.34 -0.46 1.15 -1.81 -2.11 0.00 0.00 174.94 172.06 3khj s ASP 186 N -3.58 5.47 -0.08 4.50 1.01 -1.26 -4.97 116.67 117.76 3khj s ASP 186 Ca 0.62 2.23 -0.01 0.00 0.71 0.00 0.00 52.55 56.10 3khj s ASP 186 Cb -0.16 -2.58 0.03 0.00 1.01 0.00 0.00 42.92 41.21 3khj s ASP 186 CO 0.56 -1.39 -0.03 -0.69 0.21 0.00 0.00 175.17 173.82 3khj s VAL 187 N -1.78 0.64 -0.19 -1.27 1.01 -1.26 -2.33 120.40 115.22 3khj s VAL 187 Ca 0.74 -0.06 -0.15 0.00 0.00 0.00 0.00 61.98 62.50 3khj s VAL 187 Cb -0.26 -0.73 -0.04 0.00 0.00 0.00 0.00 36.38 35.35 3khj s VAL 187 CO 0.30 0.30 0.34 -0.63 0.00 0.00 0.00 175.10 175.41 3khj s ILE 188 N 1.72 5.25 -0.15 2.22 1.01 0.80 -2.51 121.20 129.54 3khj s ILE 188 Ca 0.03 0.61 -0.01 0.00 0.00 0.00 0.00 60.65 61.27 3khj s ILE 188 Cb -0.13 -3.68 -0.01 0.00 0.01 0.00 0.00 42.46 38.66 3khj s ILE 188 CO -0.05 0.30 -0.11 -0.69 0.00 0.00 0.00 174.94 174.39 3khj s VAL 189 N 1.01 3.09 0.20 2.92 1.01 -0.67 0.11 120.40 128.07 3khj s VAL 189 Ca 0.17 -0.63 -0.15 0.00 0.00 0.00 0.00 61.98 61.37 3khj s VAL 189 Cb -0.14 -2.32 0.01 0.00 0.00 0.00 0.00 36.38 33.93 3khj s VAL 189 CO 0.06 0.50 0.48 -0.83 0.00 0.00 0.00 175.10 175.32 3khj s GLY 190 N 0.63 0.15 0.05 4.51 0.00 -0.87 -1.03 107.32 110.76 3khj s GLY 190 Ca -0.06 -0.49 0.04 0.00 0.00 0.00 0.00 44.72 44.21 3khj s GLY 190 CO 0.03 -0.44 -0.05 -1.31 0.00 0.00 0.00 173.10 171.33 3khj s ASN 191 N -2.92 4.73 0.13 1.64 -0.87 -0.93 -2.01 114.94 114.72 3khj s ASN 191 Ca 0.13 -0.20 0.07 0.00 -1.57 0.00 0.00 52.86 51.29 3khj s ASN 191 Cb -0.00 -1.08 -0.04 0.00 -0.02 0.00 0.00 41.25 40.11 3khj s ASN 191 CO 0.01 0.22 -0.16 -0.69 -2.57 0.00 0.00 177.10 173.91 3khj s VAL 192 N -1.15 1.52 0.00 1.60 1.01 -0.92 -1.09 120.40 121.37 3khj s VAL 192 Ca 0.21 -1.76 0.00 0.00 0.00 0.00 0.00 61.98 60.43 3khj s VAL 192 Cb -0.11 -1.63 0.00 0.00 0.00 0.00 0.00 36.38 34.64 3khj s VAL 192 CO 0.13 -0.34 0.00 1.33 0.00 0.00 0.00 175.10 176.21 3khj n VAL 193 N 0.52 0.00 -4.45 2.92 0.24 -1.26 -2.18 118.33 114.12 3khj n VAL 193 Ca -0.15 -0.04 -0.25 0.00 -2.04 0.00 0.00 64.34 61.86 3khj n VAL 193 Cb 0.57 0.98 -0.10 0.00 -1.47 0.00 0.00 33.84 33.82 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 -0.09 2.49 0.08 3.34 -4.23 -1.26 -4.68 115.64 111.29 3khj s THR 194 Ca 0.00 -2.17 -0.18 0.00 -1.18 0.00 0.00 61.69 58.16 3khj s THR 194 Cb 0.00 -2.61 -0.09 0.00 1.34 0.00 0.00 72.50 71.13 3khj s THR 194 CO 0.00 -0.26 1.45 -0.33 -0.54 0.00 0.00 174.62 174.93 3khj h GLU 195 N 2.02 0.52 -0.01 3.99 3.07 -1.96 -2.84 114.58 119.37 3khj h GLU 195 Ca -0.42 -0.22 -0.03 0.00 -0.50 0.00 0.00 59.36 58.19 3khj h GLU 195 Cb 1.25 -0.02 -0.00 0.00 -0.84 0.00 0.00 28.75 29.14 3khj h GLU 195 CO 0.66 0.78 -0.12 0.93 -1.40 0.00 0.00 179.01 179.85 3khj h GLU 196 N 0.25 0.02 -0.06 2.33 5.08 -1.97 -2.13 114.58 118.09 3khj h GLU 196 Ca 0.06 -0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.32 3khj h GLU 196 Cb 0.61 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.87 3khj h GLU 196 CO 0.04 0.14 -0.34 0.00 -1.00 0.00 0.00 179.01 177.85 3khj h ALA 197 N 1.86 0.13 -0.13 3.43 0.00 -1.97 -3.07 119.26 119.51 3khj h ALA 197 Ca 0.00 -0.45 -0.16 0.00 0.00 0.00 0.00 54.91 54.30 3khj h ALA 197 Cb 0.23 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 3khj h ALA 197 CO 0.02 0.20 -0.61 0.00 0.00 0.00 0.00 179.25 178.85 3khj h THR 198 N -0.16 1.35 -0.04 0.00 1.03 -1.35 -2.89 112.91 110.85 3khj h THR 198 Ca -0.02 -1.93 -0.00 0.00 -0.01 0.00 0.00 66.41 64.45 3khj h THR 198 Cb 0.99 1.92 -0.00 0.00 -1.07 0.00 0.00 68.15 69.99 3khj h THR 198 CO 0.07 0.59 0.02 0.50 -0.01 0.00 0.00 175.52 176.69 3khj h LYS 199 N 0.33 0.06 -0.61 0.00 3.64 -1.50 -2.55 116.57 115.93 3khj h LYS 199 Ca -0.01 -0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.31 3khj h LYS 199 Cb 1.15 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.94 3khj h LYS 199 CO 0.11 0.13 0.14 1.49 -2.27 0.00 0.00 179.45 179.05 3khj h GLU 200 N -0.03 0.95 -0.20 1.90 4.81 -1.56 -2.69 114.58 117.76 3khj h GLU 200 Ca 0.01 -0.21 -0.10 0.00 -0.13 0.00 0.00 59.36 58.93 3khj h GLU 200 Cb 0.09 -0.13 -0.00 0.00 0.63 0.00 0.00 28.75 29.33 3khj h GLU 200 CO -0.00 0.85 -0.27 -0.07 -0.73 0.00 0.00 179.01 178.79 3khj h LEU 201 N 0.91 0.59 -1.04 1.64 3.38 -1.49 -2.51 115.31 116.79 3khj h LEU 201 Ca 0.19 -0.51 -0.02 0.00 0.09 0.00 0.00 57.88 57.64 3khj h LEU 201 Cb 0.33 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.88 3khj h LEU 201 CO 0.00 0.97 0.39 0.40 0.09 0.00 0.00 178.44 180.30 3khj h ILE 202 N 0.21 1.23 0.00 1.22 2.04 -1.41 -1.34 117.51 119.47 3khj h ILE 202 Ca 0.02 -0.61 -0.07 0.00 1.00 0.00 0.00 64.86 65.20 3khj h ILE 202 Cb 0.83 0.23 -0.01 0.00 -0.74 0.00 0.00 36.82 37.13 3khj h ILE 202 CO 0.06 0.27 -0.33 -0.33 0.00 0.00 0.00 178.15 177.82 3khj h GLU 203 N 1.07 0.00 -0.00 2.37 5.08 -1.48 -1.90 114.58 119.72 3khj h GLU 203 Ca 0.27 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.63 3khj h GLU 203 Cb 0.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.31 3khj h GLU 203 CO -0.04 0.33 -0.00 0.09 -1.00 0.00 0.00 179.01 178.39 3khj n ASN 204 N -4.07 0.26 0.00 1.42 3.02 -0.59 -4.89 115.26 110.40 3khj n ASN 204 Ca -0.02 -1.07 0.00 0.00 -0.03 0.00 0.00 54.58 53.46 3khj n ASN 204 Cb 0.38 -0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.54 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 1.03 1.43 3.68 7.41 0.00 -0.72 -4.53 105.19 113.49 3khj n GLY 205 Ca 0.23 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.83 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 3.62 -1.40 4.61 0.00 -0.68 -4.87 121.76 121.03 3khj s ALA 206 Ca 0.00 0.92 0.27 0.00 0.00 0.00 0.00 51.96 53.15 3khj s ALA 206 Cb 0.00 -3.65 0.91 0.00 0.00 0.00 0.00 23.12 20.38 3khj s ALA 206 CO 0.00 -1.09 1.67 -0.25 0.00 0.00 0.00 175.76 176.09 3khj n ASP 207 N 5.97 0.55 0.00 0.00 10.43 -1.04 -4.65 116.55 127.80 3khj n ASP 207 Ca 0.15 -0.41 0.00 0.00 2.57 0.00 0.00 54.79 57.10 3khj n ASP 207 Cb 0.43 0.01 0.00 0.00 1.84 0.00 0.00 41.12 43.40 3khj n ASP 207 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3khj n GLY 208 N 1.39 1.37 3.90 0.44 0.00 -1.21 -2.31 105.19 108.76 3khj n GLY 208 Ca 0.10 0.49 -0.33 0.00 0.00 0.00 0.00 46.02 46.28 3khj n GLY 208 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3khj s ILE 209 N 0.00 5.41 -0.09 -0.61 -4.36 -1.21 -1.68 121.20 118.67 3khj s ILE 209 Ca 0.00 -0.10 -0.03 0.00 -0.26 0.00 0.00 60.65 60.26 3khj s ILE 209 Cb 0.00 -3.54 -0.03 0.00 1.25 0.00 0.00 42.46 40.13 3khj s ILE 209 CO 0.00 0.33 0.02 -1.59 0.24 0.00 0.00 174.94 173.93 3khj s LYS 210 N -1.92 3.09 -0.15 0.37 -2.85 -0.20 -2.07 119.74 116.01 3khj s LYS 210 Ca 0.27 -0.38 -0.03 0.00 -1.00 0.00 0.00 55.97 54.84 3khj s LYS 210 Cb -0.13 -2.85 -0.02 0.00 -2.06 0.00 0.00 37.83 32.77 3khj s LYS 210 CO 0.18 0.68 -0.06 0.08 0.10 0.00 0.00 175.35 176.33 3khj s VAL 211 N -0.81 3.62 0.00 1.79 1.01 0.12 -2.18 120.40 123.95 3khj s VAL 211 Ca 0.13 -0.45 0.00 0.00 0.00 0.00 0.00 61.98 61.65 3khj s VAL 211 Cb -0.12 -2.57 0.00 0.00 0.00 0.00 0.00 36.38 33.69 3khj s VAL 211 CO 0.02 0.50 0.00 0.61 0.00 0.00 0.00 175.10 176.23 3khj n GLY 212 N 3.59 1.14 3.19 4.51 0.00 -0.92 -0.78 105.19 115.93 3khj n GLY 212 Ca -0.18 0.21 -0.35 0.00 0.00 0.00 0.00 46.02 45.70 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 3.00 -1.01 -0.61 1.01 -1.26 -4.72 121.20 117.61 3khj s ILE 213 Ca 0.00 -1.21 -0.08 0.00 0.00 0.00 0.00 60.65 59.36 3khj s ILE 213 Cb 0.00 -2.64 -0.04 0.00 0.01 0.00 0.00 42.46 39.78 3khj s ILE 213 CO 0.00 0.02 0.85 0.61 0.00 0.00 0.00 174.94 176.42 3khj n GLY 214 N 4.65 -1.15 1.81 6.18 0.00 -1.26 -3.02 105.19 112.40 3khj n GLY 214 Ca -0.14 0.54 -0.05 0.00 0.00 0.00 0.00 46.02 46.37 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 -3.15 3.35 0.00 1.61 -0.04 -1.26 -4.55 135.00 130.96 3khj n PRO 215 Ca -0.07 -2.57 0.00 0.00 -0.04 0.00 0.00 63.50 60.83 3khj n PRO 215 Cb 0.60 -2.07 0.00 0.00 -0.04 0.00 0.00 33.50 31.98 3khj n PRO 215 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3khj n THR 220 N -0.85 0.29 0.20 0.00 5.66 -1.26 -4.52 114.28 113.79 3khj n THR 220 Ca 0.00 -0.11 0.03 0.00 -3.05 0.00 0.00 64.05 60.92 3khj n THR 220 Cb 0.00 -0.68 0.40 0.00 -1.55 0.00 0.00 70.33 68.50 3khj n THR 220 CO 0.00 0.00 0.00 0.74 -3.05 0.00 0.00 175.07 172.76 3khj h THR 221 N -0.00 1.22 -0.50 1.09 2.02 -1.93 0.18 112.91 114.98 3khj h THR 221 Ca -0.11 -1.11 0.02 0.00 0.77 0.00 0.00 66.41 65.97 3khj h THR 221 Cb 1.17 1.60 -0.03 0.00 -1.74 0.00 0.00 68.15 69.16 3khj h THR 221 CO -0.02 0.32 0.33 -0.09 0.37 0.00 0.00 175.52 176.43 3khj h ARG 222 N 0.00 0.60 0.00 6.66 9.65 -1.82 -1.24 114.38 128.23 3khj h ARG 222 Ca -0.00 -0.04 -0.42 0.00 -1.10 0.00 0.00 59.98 58.42 3khj h ARG 222 Cb 0.58 -0.14 -0.06 0.00 -1.39 0.00 0.00 29.97 28.96 3khj h ARG 222 CO 0.04 0.40 -2.42 -0.89 2.80 0.00 0.00 179.97 179.90 3khj n ILE 223 N -4.47 1.41 0.05 1.20 5.41 -0.81 -3.30 119.36 118.85 3khj n ILE 223 Ca 0.05 -0.40 -0.12 0.00 1.00 0.00 0.00 62.75 63.28 3khj n ILE 223 Cb 0.10 -1.73 -0.09 0.00 -0.71 0.00 0.00 39.64 37.21 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 -0.70 1.07 0.00 1.39 2.07 -0.80 -3.35 116.25 115.93 3khj h VAL 224 Ca -0.63 -1.01 -0.21 0.00 0.82 0.00 0.00 66.70 65.67 3khj h VAL 224 Cb 1.64 1.68 -0.04 0.00 -1.52 0.00 0.00 31.29 33.05 3khj h VAL 224 CO -0.32 0.23 -1.77 0.00 0.02 0.00 0.00 177.57 175.73 3khj n ALA 225 N -2.43 1.87 -2.70 1.67 0.00 -1.10 -4.99 120.51 112.83 3khj n ALA 225 Ca -0.09 -0.77 -0.11 0.00 0.00 0.00 0.00 53.44 52.48 3khj n ALA 225 Cb 0.26 -0.73 0.02 0.00 0.00 0.00 0.00 19.45 19.00 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 1.49 0.12 3.10 0.00 0.00 -0.50 -5.03 105.19 104.37 3khj n GLY 226 Ca -0.16 -0.32 -0.24 0.00 0.00 0.00 0.00 46.02 45.30 3khj n GLY 226 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3khj s VAL 227 N -2.90 1.23 0.00 1.61 1.01 -1.00 -4.98 120.40 115.37 3khj s VAL 227 Ca 0.17 -0.62 0.00 0.00 0.00 0.00 0.00 61.98 61.53 3khj s VAL 227 Cb -0.08 -1.06 0.00 0.00 0.00 0.00 0.00 36.38 35.25 3khj s VAL 227 CO 0.21 0.36 0.00 0.61 0.00 0.00 0.00 175.10 176.28 3khj n GLY 228 N 3.10 2.39 2.94 4.51 0.00 -1.26 -3.90 105.19 112.97 3khj n GLY 228 Ca -0.17 -0.95 -0.23 0.00 0.00 0.00 0.00 46.02 44.67 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 0.84 0.30 1.61 1.01 -1.17 -5.06 120.40 115.93 3khj s VAL 229 Ca 0.00 -0.28 -0.29 0.00 0.00 0.00 0.00 61.98 61.41 3khj s VAL 229 Cb 0.00 -0.82 -0.13 0.00 0.00 0.00 0.00 36.38 35.43 3khj s VAL 229 CO 0.00 0.30 1.25 -2.65 0.00 0.00 0.00 175.10 174.00 3khj n PRO 230 N 4.12 1.89 -0.16 2.72 -0.02 -1.26 -4.68 135.00 137.61 3khj n PRO 230 Ca -0.22 0.66 -0.06 0.00 -2.02 0.00 0.00 63.50 61.86 3khj n PRO 230 Cb 0.51 -2.21 0.02 0.00 -0.02 0.00 0.00 33.50 31.80 3khj n PRO 230 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 3khj h GLN 231 N 2.86 0.57 -0.26 -0.52 1.08 -1.92 -0.04 115.11 116.87 3khj h GLN 231 Ca -0.44 -0.03 0.02 0.00 -1.45 0.00 0.00 58.65 56.75 3khj h GLN 231 Cb 1.30 -0.13 -0.02 0.00 -0.05 0.00 0.00 27.48 28.57 3khj h GLN 231 CO 0.66 0.38 0.11 0.82 -0.95 0.00 0.00 178.83 179.85 3khj h ILE 232 N 0.59 0.97 -0.39 2.54 1.08 -1.66 0.39 117.51 121.03 3khj h ILE 232 Ca 0.19 -0.08 -0.07 0.00 -0.39 0.00 0.00 64.86 64.51 3khj h ILE 232 Cb -0.01 0.70 -0.02 0.00 -3.07 0.00 0.00 36.82 34.42 3khj h ILE 232 CO -0.07 0.04 -0.04 0.74 -0.69 0.00 0.00 178.15 178.13 3khj h THR 233 N 0.24 1.23 -0.33 -0.27 2.02 -1.28 -1.96 112.91 112.56 3khj h THR 233 Ca 0.11 -0.96 -0.05 0.00 0.77 0.00 0.00 66.41 66.28 3khj h THR 233 Cb 0.05 0.98 -0.01 0.00 -1.74 0.00 0.00 68.15 67.44 3khj h THR 233 CO -0.09 0.33 -0.00 0.00 0.37 0.00 0.00 175.52 176.12 3khj h ALA 234 N 1.36 0.44 -0.18 6.16 0.00 0.02 -2.63 119.26 124.43 3khj h ALA 234 Ca 0.12 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 3khj h ALA 234 Cb 0.44 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 3khj h ALA 234 CO 0.02 0.20 -0.06 0.82 0.00 0.00 0.00 179.25 180.23 3khj h ILE 235 N 0.38 1.29 -0.32 0.00 2.04 -0.21 -3.08 117.51 117.62 3khj h ILE 235 Ca 0.09 -1.05 0.06 0.00 1.00 0.00 0.00 64.86 64.96 3khj h ILE 235 Cb 0.45 1.61 -0.05 0.00 -0.74 0.00 0.00 36.82 38.08 3khj h ILE 235 CO 0.02 0.32 -0.01 -0.33 0.00 0.00 0.00 178.15 178.15 3khj h GLU 236 N 0.07 0.08 -0.27 2.37 5.08 -1.37 0.20 114.58 120.74 3khj h GLU 236 Ca 0.05 -0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.42 3khj h GLU 236 Cb 0.51 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.72 3khj h GLU 236 CO 0.02 0.05 0.12 0.87 -1.00 0.00 0.00 179.01 179.07 3khj h LYS 237 N 0.08 0.25 -0.05 2.33 1.57 -1.54 -2.40 116.57 116.82 3khj h LYS 237 Ca 0.15 -0.02 -0.15 0.00 -1.87 0.00 0.00 60.65 58.77 3khj h LYS 237 Cb 0.21 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 3khj h LYS 237 CO -0.27 0.17 -0.62 0.00 -0.57 0.00 0.00 179.45 178.16 3khj h SER 239 N 0.14 0.55 0.18 0.00 0.02 -0.42 0.14 113.55 114.16 3khj h SER 239 Ca -0.01 -0.19 0.00 0.00 -0.84 0.00 0.00 61.79 60.75 3khj h SER 239 Cb 1.13 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 63.52 3khj h SER 239 CO 0.09 0.80 0.00 -1.54 -1.14 0.00 0.00 176.83 175.04 3khj n SER 240 N -4.11 0.04 -0.04 3.07 3.41 -0.92 -2.19 113.62 112.88 3khj n SER 240 Ca -0.00 0.52 -0.08 0.00 -0.26 0.00 0.00 58.87 59.05 3khj n SER 240 Cb 0.42 -0.52 -0.03 0.00 -0.26 0.00 0.00 64.21 63.82 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 -1.55 0.41 0.04 -3.33 0.31 -1.02 -4.72 118.33 108.46 3khj n VAL 241 Ca 0.01 -0.11 -0.01 0.00 -0.01 0.00 0.00 64.34 64.22 3khj n VAL 241 Cb 0.06 -1.48 0.28 0.00 -0.91 0.00 0.00 33.84 31.78 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 -0.23 1.28 0.00 3.52 0.00 -0.94 -2.64 119.26 120.25 3khj h ALA 242 Ca -0.18 -0.28 -0.06 0.00 0.00 0.00 0.00 54.91 54.39 3khj h ALA 242 Cb 1.17 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 3khj h ALA 242 CO -0.10 0.48 -0.29 0.66 0.00 0.00 0.00 179.25 180.00 3khj h SER 243 N 0.38 0.00 0.20 0.00 4.64 -1.56 0.74 113.55 117.95 3khj h SER 243 Ca 0.07 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.31 3khj h SER 243 Cb 0.51 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.59 3khj h SER 243 CO 0.03 0.29 -0.31 0.11 -0.87 0.00 0.00 176.83 176.08 3khj h LYS 244 N 0.00 0.17 -0.07 4.77 1.57 -1.70 -2.51 116.57 118.80 3khj h LYS 244 Ca -0.00 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 3khj h LYS 244 Cb 0.63 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.93 3khj h LYS 244 CO 0.04 0.47 0.00 1.19 -0.57 0.00 0.00 179.45 180.58 3khj n PHE 245 N -4.13 0.07 -1.97 -1.35 3.01 -1.11 -4.93 117.46 107.04 3khj n PHE 245 Ca -0.01 -0.03 -0.09 0.00 1.01 0.00 0.00 57.45 58.32 3khj n PHE 245 Cb 0.39 0.00 -0.01 0.00 -0.01 0.00 0.00 39.48 39.85 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 1.26 0.24 3.59 1.37 0.00 -0.95 -5.02 105.19 105.69 3khj n GLY 246 Ca 0.17 -0.52 -0.37 0.00 0.00 0.00 0.00 46.02 45.30 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 -2.44 5.13 0.66 -0.61 -1.09 0.24 -4.73 121.20 118.34 3khj s ILE 247 Ca 0.00 0.10 -0.16 0.00 -2.23 0.00 0.00 60.65 58.36 3khj s ILE 247 Cb 0.00 -3.41 -0.00 0.00 -1.58 0.00 0.00 42.46 37.47 3khj s ILE 247 CO 0.00 0.31 1.17 -2.84 -1.23 0.00 0.00 174.94 172.34 3khj s PRO 248 N 1.44 2.67 -0.15 2.79 0.02 -1.26 -3.94 135.00 136.57 3khj s PRO 248 Ca 0.07 1.64 -0.02 0.00 0.02 0.00 0.00 61.00 62.71 3khj s PRO 248 Cb -0.15 -1.91 -0.02 0.00 0.02 0.00 0.00 34.50 32.44 3khj s PRO 248 CO 0.07 -1.40 -0.08 0.42 -0.33 0.00 0.00 177.00 175.68 3khj s ILE 249 N -1.98 3.44 -0.33 2.83 -1.09 -1.26 -3.28 121.20 119.53 3khj s ILE 249 Ca 0.73 -0.51 -0.11 0.00 -2.23 0.00 0.00 60.65 58.52 3khj s ILE 249 Cb -0.26 -2.49 -0.01 0.00 -1.58 0.00 0.00 42.46 38.12 3khj s ILE 249 CO 0.39 0.50 0.19 -0.63 -1.23 0.00 0.00 174.94 174.16 3khj s ILE 250 N 0.48 4.83 -0.50 2.92 1.09 -0.88 -1.02 121.20 128.12 3khj s ILE 250 Ca -0.06 -0.40 -0.29 0.00 -1.10 0.00 0.00 60.65 58.79 3khj s ILE 250 Cb -0.15 -3.49 0.03 0.00 -1.06 0.00 0.00 42.46 37.79 3khj s ILE 250 CO 0.04 0.01 1.15 0.00 -0.10 0.00 0.00 174.94 176.03 3khj s ALA 251 N 1.64 3.12 -0.26 9.38 0.00 -0.20 0.12 121.76 135.56 3khj s ALA 251 Ca 0.05 -0.55 -0.05 0.00 0.00 0.00 0.00 51.96 51.41 3khj s ALA 251 Cb -0.17 -3.93 0.00 0.00 0.00 0.00 0.00 23.12 19.02 3khj s ALA 251 CO 0.08 -2.35 0.01 0.34 0.00 0.00 0.00 175.76 173.84 3khj s ASP 252 N 2.57 4.72 0.00 0.00 2.15 0.04 -0.43 116.67 125.73 3khj s ASP 252 Ca 0.47 -0.59 0.00 0.00 0.43 0.00 0.00 52.55 52.86 3khj s ASP 252 Cb -0.07 -1.80 0.00 0.00 -0.30 0.00 0.00 42.92 40.75 3khj s ASP 252 CO 0.31 -0.11 0.00 0.61 -0.17 0.00 0.00 175.17 175.81 3khj n GLY 253 N 4.81 -0.02 0.58 2.66 0.00 -1.24 -4.24 105.19 107.74 3khj n GLY 253 Ca -0.16 -1.56 0.00 0.00 0.00 0.00 0.00 46.02 44.30 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 0.43 3.42 3.60 -0.02 0.00 -1.26 -4.92 105.19 106.43 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 -2.71 3.58 -0.04 -0.61 -1.09 -1.26 -4.80 121.20 114.28 3khj s ILE 255 Ca 0.00 0.59 0.09 0.00 -2.23 0.00 0.00 60.65 59.10 3khj s ILE 255 Cb 0.00 -3.79 -0.13 0.00 -1.58 0.00 0.00 42.46 36.96 3khj s ILE 255 CO 0.00 -0.51 0.14 0.54 -1.23 0.00 0.00 174.94 173.88 3khj n ARG 256 N 8.35 1.09 -4.31 2.79 1.74 -1.26 -4.71 116.66 120.36 3khj n ARG 256 Ca 0.21 -0.06 -0.16 0.00 -0.77 0.00 0.00 57.85 57.07 3khj n ARG 256 Cb 0.47 -1.22 -0.10 0.00 -1.02 0.00 0.00 32.46 30.59 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 -2.49 1.48 0.31 -1.55 1.51 -1.26 -5.01 117.35 110.34 3khj s TYR 257 Ca -0.04 -1.07 0.17 0.00 -1.01 0.00 0.00 57.07 55.12 3khj s TYR 257 Cb 0.05 -0.87 0.83 0.00 -0.11 0.00 0.00 41.96 41.86 3khj s TYR 257 CO 0.37 -0.22 1.83 0.66 -1.11 0.00 0.00 175.55 177.08 3khj h SER 258 N 2.47 0.00 0.38 2.29 4.64 -1.92 -2.77 113.55 118.64 3khj h SER 258 Ca -0.38 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 60.86 3khj h SER 258 Cb 1.23 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.31 3khj h SER 258 CO 0.63 0.34 -0.36 1.23 -0.87 0.00 0.00 176.83 177.79 3khj h GLY 259 N 1.41 0.00 1.64 -0.77 0.00 -1.93 -3.01 103.07 100.41 3khj h GLY 259 Ca -0.00 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.29 3khj h GLY 259 CO 0.04 0.00 0.01 -0.55 0.00 0.00 0.00 176.54 176.05 3khj h ASP 260 N 0.00 0.42 -0.26 0.19 3.32 -1.89 -2.18 116.42 116.03 3khj h ASP 260 Ca -0.00 -0.07 -0.01 0.00 0.02 0.00 0.00 57.03 56.97 3khj h ASP 260 Cb 0.65 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 40.08 3khj h ASP 260 CO 0.05 0.47 0.12 0.40 -1.72 0.00 0.00 179.24 178.56 3khj h ILE 261 N 0.44 1.15 -0.39 0.35 2.04 -1.62 0.09 117.51 119.56 3khj h ILE 261 Ca 0.10 -0.44 0.04 0.00 1.00 0.00 0.00 64.86 65.56 3khj h ILE 261 Cb 0.27 0.97 -0.04 0.00 -0.74 0.00 0.00 36.82 37.28 3khj h ILE 261 CO 0.01 0.15 0.17 1.23 0.00 0.00 0.00 178.15 179.71 3khj h GLY 262 N 0.28 0.52 1.01 5.37 0.00 -1.57 -0.85 103.07 107.82 3khj h GLY 262 Ca 0.09 -0.11 0.01 0.00 0.00 0.00 0.00 47.33 47.31 3khj h GLY 262 CO -0.01 0.06 0.37 0.50 0.00 0.00 0.00 176.54 177.46 3khj h LYS 263 N 0.35 0.74 -0.04 4.80 1.57 -1.18 0.16 116.57 122.97 3khj h LYS 263 Ca 0.17 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.91 3khj h LYS 263 Cb 0.12 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 32.26 3khj h LYS 263 CO -0.15 0.49 0.01 0.00 -0.57 0.00 0.00 179.45 179.23 3khj h ALA 264 N 1.20 0.05 -0.22 3.86 0.00 -0.72 -2.76 119.26 120.67 3khj h ALA 264 Ca 0.20 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 3khj h ALA 264 Cb -0.09 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3khj h ALA 264 CO -0.04 -0.36 -0.01 -0.07 0.00 0.00 0.00 179.25 178.76 3khj h LEU 265 N -0.11 0.40 -1.66 0.00 3.38 -1.05 -2.35 115.31 113.91 3khj h LEU 265 Ca 0.01 -0.32 -0.02 0.00 0.09 0.00 0.00 57.88 57.64 3khj h LEU 265 Cb 0.17 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 3khj h LEU 265 CO -0.00 0.62 -0.02 0.00 0.09 0.00 0.00 178.44 179.13 3khj h ALA 266 N 0.79 1.73 0.00 1.53 0.00 -1.01 -2.52 119.26 119.78 3khj h ALA 266 Ca 0.06 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3khj h ALA 266 Cb 0.43 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.15 3khj h ALA 266 CO 0.01 0.21 -0.23 1.55 0.00 0.00 0.00 179.25 180.79 3khj n VAL 267 N -4.40 0.11 0.00 0.00 3.14 -1.04 -4.46 118.33 111.68 3khj n VAL 267 Ca -0.01 -0.06 0.00 0.00 -2.96 0.00 0.00 64.34 61.31 3khj n VAL 267 Cb 0.17 -0.23 0.00 0.00 -1.06 0.00 0.00 33.84 32.72 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 1.46 0.30 3.78 7.55 0.00 -0.96 -4.43 105.19 112.89 3khj n GLY 268 Ca 0.06 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.74 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 2.69 -0.25 4.61 0.00 -0.89 -4.71 121.76 123.21 3khj s ALA 269 Ca 0.00 0.62 0.03 0.00 0.00 0.00 0.00 51.96 52.62 3khj s ALA 269 Cb 0.00 -3.30 -0.17 0.00 0.00 0.00 0.00 23.12 19.65 3khj s ALA 269 CO 0.00 -0.80 -0.20 0.43 0.00 0.00 0.00 175.76 175.19 3khj n SER 270 N -1.65 1.86 -4.09 0.00 7.64 -0.19 -4.44 113.62 112.76 3khj n SER 270 Ca 0.10 -0.12 -0.07 0.00 1.01 0.00 0.00 58.87 59.79 3khj n SER 270 Cb 0.52 -0.27 -0.10 0.00 -1.01 0.00 0.00 64.21 63.35 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 -6.36 0.52 -0.12 6.43 1.04 -0.91 -4.70 113.70 109.61 3khj s SER 271 Ca -0.32 -1.00 0.02 0.00 0.48 0.00 0.00 55.95 55.13 3khj s SER 271 Cb 0.08 0.19 0.01 0.00 0.10 0.00 0.00 66.02 66.41 3khj s SER 271 CO 0.60 -0.59 -0.18 -0.69 0.98 0.00 0.00 173.24 173.36 3khj s VAL 272 N -3.90 1.73 -0.17 5.02 1.01 0.70 -1.03 120.40 123.76 3khj s VAL 272 Ca 0.07 -0.79 -0.20 0.00 0.00 0.00 0.00 61.98 61.06 3khj s VAL 272 Cb 0.08 -1.55 -0.03 0.00 0.00 0.00 0.00 36.38 34.88 3khj s VAL 272 CO -0.10 0.49 0.60 -0.32 0.00 0.00 0.00 175.10 175.77 3khj s MET 273 N 0.86 4.26 -0.07 2.72 1.75 0.43 -1.09 119.30 128.16 3khj s MET 273 Ca -0.08 0.59 0.05 0.00 -1.25 0.00 0.00 55.69 55.00 3khj s MET 273 Cb -0.15 -3.54 -0.00 0.00 2.84 0.00 0.00 34.83 33.97 3khj s MET 273 CO -0.01 -0.13 -0.22 0.96 -0.65 0.00 0.00 175.02 174.98 3khj s ILE 274 N 1.53 1.84 0.00 10.11 -4.36 0.11 -3.68 121.20 126.75 3khj s ILE 274 Ca 0.29 -0.92 0.00 0.00 -0.26 0.00 0.00 60.65 59.75 3khj s ILE 274 Cb -0.16 -1.57 0.00 0.00 1.25 0.00 0.00 42.46 41.98 3khj s ILE 274 CO 0.11 0.51 0.00 0.61 0.24 0.00 0.00 174.94 176.41 3khj n GLY 275 N 3.23 0.11 0.43 6.27 0.00 -1.26 -1.62 105.19 112.34 3khj n GLY 275 Ca -0.18 0.00 0.32 0.00 0.00 0.00 0.00 46.02 46.16 3khj n GLY 275 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 3khj h SER 276 N 0.00 0.32 0.33 1.61 0.87 -1.96 0.25 113.55 114.97 3khj h SER 276 Ca 0.00 0.13 -0.06 0.00 -1.23 0.00 0.00 61.79 60.63 3khj h SER 276 Cb 0.00 0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 62.06 3khj h SER 276 CO 0.00 -0.13 -0.29 0.40 -0.53 0.00 0.00 176.83 176.29 3khj h ILE 277 N 0.18 1.14 -0.02 2.23 5.03 -1.88 -3.18 117.51 121.00 3khj h ILE 277 Ca 0.76 -1.01 0.00 0.00 -0.12 0.00 0.00 64.86 64.49 3khj h ILE 277 Cb 2.22 1.55 0.00 0.00 -3.03 0.00 0.00 36.82 37.56 3khj h ILE 277 CO -0.42 0.28 -0.22 0.18 -0.68 0.00 0.00 178.15 177.29 3khj n LEU 278 N -4.10 1.97 -0.08 1.44 4.77 0.84 -4.67 117.00 117.17 3khj n LEU 278 Ca -0.02 -0.85 0.05 0.00 -0.03 0.00 0.00 56.01 55.16 3khj n LEU 278 Cb 0.34 0.00 0.39 0.00 -2.33 0.00 0.00 43.42 41.82 3khj n LEU 278 CO 0.37 0.36 1.19 0.00 -1.33 0.00 0.00 177.39 177.98 3khj h ALA 279 N 3.11 1.70 -0.07 -1.18 0.00 -1.42 -2.95 119.26 118.46 3khj h ALA 279 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3khj h ALA 279 Cb 0.63 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.23 3khj h ALA 279 CO 0.00 0.24 0.00 0.41 0.00 0.00 0.00 179.25 179.90 3khj n GLY 280 N -1.47 1.01 3.71 0.00 0.00 -1.26 -4.80 105.19 102.38 3khj n GLY 280 Ca 0.06 -0.68 -0.30 0.00 0.00 0.00 0.00 46.02 45.11 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 -1.94 2.70 0.32 2.61 -4.23 -1.11 -0.11 115.64 113.87 3khj s THR 281 Ca 0.30 0.23 0.00 0.00 -1.18 0.00 0.00 61.69 61.04 3khj s THR 281 Cb 0.20 -2.65 0.24 0.00 1.34 0.00 0.00 72.50 71.63 3khj s THR 281 CO 0.30 -0.30 1.96 -0.08 -0.54 0.00 0.00 174.62 175.96 3khj h GLU 282 N -1.56 0.90 0.00 3.99 4.57 -1.37 -2.40 114.58 118.72 3khj h GLU 282 Ca -0.49 -0.08 0.00 0.00 -1.18 0.00 0.00 59.36 57.61 3khj h GLU 282 Cb 1.28 -0.19 0.00 0.00 -0.16 0.00 0.00 28.75 29.68 3khj h GLU 282 CO 0.53 0.64 0.00 0.39 -1.18 0.00 0.00 179.01 179.39 3khj n GLU 283 N -4.39 0.74 -2.55 1.92 4.71 -1.26 -4.83 120.64 114.97 3khj n GLU 283 Ca 0.07 0.00 -0.34 0.00 -0.01 0.00 0.00 57.16 56.88 3khj n GLU 283 Cb 0.08 -1.50 -0.04 0.00 -1.01 0.00 0.00 31.44 28.98 3khj n GLU 283 CO 0.00 0.00 0.00 0.45 0.09 0.00 0.00 177.13 177.67 3khj s SER 284 N -2.01 6.35 0.57 1.62 0.15 -0.90 -2.95 113.70 116.54 3khj s SER 284 Ca 0.36 1.93 0.27 0.00 0.70 0.00 0.00 55.95 59.20 3khj s SER 284 Cb 0.16 -2.56 1.69 0.00 -1.71 0.00 0.00 66.02 63.60 3khj s SER 284 CO 0.28 -0.77 2.22 -0.65 1.20 0.00 0.00 173.24 175.52 3khj h PRO 285 N 1.57 0.00 0.00 5.44 0.11 -1.77 -3.45 132.00 133.91 3khj h PRO 285 Ca -0.49 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 65.47 3khj h PRO 285 Cb 1.22 0.00 0.07 0.00 0.11 0.00 0.00 31.00 32.40 3khj h PRO 285 CO 0.59 0.00 0.05 0.41 -0.21 0.00 0.00 178.00 178.84 3khj n GLY 286 N -1.38 -2.53 3.29 -0.55 0.00 -1.26 -5.03 105.19 97.73 3khj n GLY 286 Ca -0.03 -1.47 -0.28 0.00 0.00 0.00 0.00 46.02 44.24 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 -3.91 1.70 0.34 1.61 2.02 -1.26 -4.75 118.70 114.46 3khj s GLU 287 Ca 0.26 -0.97 -0.29 0.00 0.02 0.00 0.00 54.97 54.00 3khj s GLU 287 Cb -0.02 -1.78 -0.11 0.00 0.10 0.00 0.00 34.13 32.31 3khj s GLU 287 CO 0.20 0.47 1.45 0.15 0.02 0.00 0.00 175.26 177.55 3khj s LYS 288 N -0.99 4.18 -0.10 1.61 1.02 -1.26 0.64 119.74 124.84 3khj s LYS 288 Ca 0.10 2.47 -0.04 0.00 0.02 0.00 0.00 55.97 58.51 3khj s LYS 288 Cb -0.09 -3.01 0.05 0.00 -0.52 0.00 0.00 37.83 34.26 3khj s LYS 288 CO 0.01 -0.45 0.21 -2.00 -0.92 0.00 0.00 175.35 172.20 3khj s GLU 289 N -1.65 0.12 -0.29 1.68 2.12 0.79 -4.86 118.70 116.60 3khj s GLU 289 Ca 0.54 0.59 -0.17 0.00 0.36 0.00 0.00 54.97 56.28 3khj s GLU 289 Cb -0.45 -0.14 -0.02 0.00 0.26 0.00 0.00 34.13 33.78 3khj s GLU 289 CO 0.57 -0.24 0.48 -1.17 -0.54 0.00 0.00 175.26 174.36 3khj s LEU 290 N 1.90 4.13 -0.20 2.70 2.96 -1.26 0.83 118.68 129.74 3khj s LEU 290 Ca -0.03 0.30 0.01 0.00 -0.22 0.00 0.00 54.13 54.20 3khj s LEU 290 Cb -0.12 -2.58 0.04 0.00 0.50 0.00 0.00 46.19 44.03 3khj s LEU 290 CO -0.07 -0.32 -0.12 -0.63 -1.32 0.00 0.00 176.35 173.88 3khj s ILE 291 N 2.27 1.76 0.00 6.68 1.01 -0.61 -4.95 121.20 127.37 3khj s ILE 291 Ca 0.19 -1.02 0.00 0.00 0.00 0.00 0.00 60.65 59.81 3khj s ILE 291 Cb -0.16 -1.78 0.00 0.00 0.01 0.00 0.00 42.46 40.54 3khj s ILE 291 CO 0.11 0.24 0.00 0.61 0.00 0.00 0.00 174.94 175.90 3khj n GLY 292 N 4.66 1.72 0.00 6.18 0.00 -1.26 -2.54 105.19 113.95 3khj n GLY 292 Ca -0.16 0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.05 3khj n GLY 292 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3khj n ASP 293 N 4.76 0.00 -4.85 1.61 3.85 -1.26 -5.11 116.55 115.56 3khj n ASP 293 Ca 0.00 0.00 -0.30 0.00 -0.71 0.00 0.00 54.79 53.78 3khj n ASP 293 Cb 0.00 0.00 -0.05 0.00 -1.35 0.00 0.00 41.12 39.72 3khj n ASP 293 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.20 176.61 3khj s THR 294 N 0.00 4.93 0.10 2.12 -4.23 -1.05 -5.11 115.64 112.41 3khj s THR 294 Ca 0.00 -0.62 -0.17 0.00 -1.18 0.00 0.00 61.69 59.72 3khj s THR 294 Cb 0.00 -3.41 -0.07 0.00 1.34 0.00 0.00 72.50 70.37 3khj s THR 294 CO 0.00 0.11 0.55 -0.69 -0.54 0.00 0.00 174.62 174.05 3khj s VAL 295 N -1.47 4.80 0.38 2.29 1.01 -1.26 -1.57 120.40 124.58 3khj s VAL 295 Ca 0.32 1.02 0.04 0.00 0.00 0.00 0.00 61.98 63.36 3khj s VAL 295 Cb -0.12 -3.81 -0.04 0.00 0.00 0.00 0.00 36.38 32.41 3khj s VAL 295 CO 0.25 0.41 0.11 -0.31 0.00 0.00 0.00 175.10 175.55 3khj s TYR 296 N -1.28 1.82 0.04 5.22 1.51 0.24 -1.60 117.35 123.31 3khj s TYR 296 Ca 0.33 -1.18 0.08 0.00 -1.01 0.00 0.00 57.07 55.29 3khj s TYR 296 Cb -0.17 -1.18 -0.03 0.00 -0.11 0.00 0.00 41.96 40.47 3khj s TYR 296 CO 0.19 -0.21 -0.23 0.15 -1.11 0.00 0.00 175.55 174.34 3khj s LYS 297 N -3.79 1.58 0.20 -0.62 1.02 -0.09 -0.15 119.74 117.90 3khj s LYS 297 Ca 0.28 -0.99 0.00 0.00 0.02 0.00 0.00 55.97 55.28 3khj s LYS 297 Cb 0.05 -1.70 0.00 0.00 -0.52 0.00 0.00 37.83 35.65 3khj s LYS 297 CO 0.14 0.44 0.00 0.98 -0.92 0.00 0.00 175.35 176.00 3khj n TYR 298 N 1.89 0.00 -3.16 3.18 9.36 0.21 -3.22 117.16 125.42 3khj n TYR 298 Ca -0.17 0.00 -0.20 0.00 3.32 0.00 0.00 57.90 60.85 3khj n TYR 298 Cb 0.53 0.00 -0.04 0.00 -0.63 0.00 0.00 39.34 39.19 3khj n TYR 298 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 3khj n ARG 334 N 0.00 0.83 -3.98 2.98 5.12 -1.26 -4.83 116.66 115.52 3khj n ARG 334 Ca 0.00 -3.19 -0.09 0.00 -1.93 0.00 0.00 57.85 52.64 3khj n ARG 334 Cb 0.00 -1.43 -0.10 0.00 -1.16 0.00 0.00 32.46 29.77 3khj n ARG 334 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 3khj s VAL 335 N -1.60 0.15 0.32 1.55 0.11 -1.20 -5.14 120.40 114.59 3khj s VAL 335 Ca 0.37 -1.21 -0.29 0.00 -2.93 0.00 0.00 61.98 57.91 3khj s VAL 335 Cb 0.25 -0.85 -0.11 0.00 -1.53 0.00 0.00 36.38 34.14 3khj s VAL 335 CO -0.10 -0.67 1.48 -1.59 -3.33 0.00 0.00 175.10 170.89 3khj s LYS 336 N -2.57 4.19 0.01 1.54 0.00 -1.26 -0.91 119.74 120.73 3khj s LYS 336 Ca -0.05 2.46 -0.30 0.00 0.00 0.00 0.00 55.97 58.07 3khj s LYS 336 Cb -0.02 -3.03 -0.06 0.00 0.00 0.00 0.00 37.83 34.72 3khj s LYS 336 CO -0.05 -0.48 1.51 -0.47 0.00 0.00 0.00 175.35 175.86 3khj s TYR 337 N -0.55 2.59 -2.45 1.78 5.04 -0.63 -4.28 117.35 118.85 3khj s TYR 337 Ca 0.57 0.58 0.23 0.00 -2.44 0.00 0.00 57.07 56.01 3khj s TYR 337 Cb -0.45 -3.79 0.45 0.00 0.35 0.00 0.00 41.96 38.53 3khj s TYR 337 CO 0.53 -3.06 1.42 1.63 -1.34 0.00 0.00 175.55 174.72 3khj n LYS 338 N 5.75 2.51 0.00 4.97 5.02 0.84 -4.96 118.16 132.30 3khj n LYS 338 Ca 0.15 -2.29 0.00 0.00 -2.02 0.00 0.00 58.31 54.15 3khj n LYS 338 Cb 0.43 -1.52 0.00 0.00 -0.02 0.00 0.00 35.03 33.92 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 1.52 0.06 3.79 0.72 0.00 -1.26 -4.81 105.19 105.21 3khj n GLY 339 Ca 0.20 -1.08 -0.36 0.00 0.00 0.00 0.00 46.02 44.78 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 4.12 0.08 1.61 0.41 -1.26 -0.95 118.70 122.71 3khj s GLU 340 Ca 0.00 1.45 -0.14 0.00 -0.41 0.00 0.00 54.97 55.88 3khj s GLU 340 Cb 0.00 -2.45 -0.21 0.00 -1.78 0.00 0.00 34.13 29.69 3khj s GLU 340 CO 0.00 -0.17 1.23 1.98 -0.49 0.00 0.00 175.26 177.81 3khj h MET 341 N 2.33 0.73 -0.70 1.61 1.85 -1.94 -3.30 114.93 115.50 3khj h MET 341 Ca -0.48 -0.71 0.04 0.00 -0.61 0.00 0.00 59.70 57.94 3khj h MET 341 Cb 1.21 0.18 -0.04 0.00 0.43 0.00 0.00 31.60 33.39 3khj h MET 341 CO 0.62 1.29 0.46 1.49 -0.40 0.00 0.00 176.91 180.38 3khj h GLU 342 N 0.43 0.81 -0.01 0.39 4.81 -1.97 -1.58 114.58 117.47 3khj h GLU 342 Ca -0.10 -0.05 -0.13 0.00 -0.13 0.00 0.00 59.36 58.95 3khj h GLU 342 Cb 1.57 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 30.75 3khj h GLU 342 CO 0.19 0.53 -0.62 0.78 -0.73 0.00 0.00 179.01 179.16 3khj h GLY 343 N 0.83 0.02 0.76 1.92 0.00 -1.99 -1.80 103.07 102.81 3khj h GLY 343 Ca 0.28 -0.03 -0.12 0.00 0.00 0.00 0.00 47.33 47.46 3khj h GLY 343 CO -0.08 0.03 -0.42 -2.08 0.00 0.00 0.00 176.54 173.98 3khj h VAL 344 N 0.02 1.41 -0.47 4.60 2.07 -1.43 -3.01 116.25 119.44 3khj h VAL 344 Ca -0.01 -1.82 -0.10 0.00 0.82 0.00 0.00 66.70 65.59 3khj h VAL 344 Cb 1.09 2.34 -0.02 0.00 -1.52 0.00 0.00 31.29 33.18 3khj h VAL 344 CO 0.08 0.53 -0.11 0.58 0.02 0.00 0.00 177.57 178.68 3khj h VAL 345 N -0.06 1.26 -0.66 2.57 2.07 -1.35 -2.90 116.25 117.18 3khj h VAL 345 Ca -0.03 -1.20 -0.02 0.00 0.82 0.00 0.00 66.70 66.27 3khj h VAL 345 Cb 1.08 1.01 -0.03 0.00 -1.52 0.00 0.00 31.29 31.84 3khj h VAL 345 CO 0.09 0.41 0.32 1.88 0.02 0.00 0.00 177.57 180.29 3khj h TYR 346 N 0.77 0.93 -0.60 1.57 0.99 -1.39 0.05 116.97 119.29 3khj h TYR 346 Ca 0.13 -0.03 -0.10 0.00 2.00 0.00 0.00 58.73 60.73 3khj h TYR 346 Cb 0.61 -0.29 -0.02 0.00 1.00 0.00 0.00 36.73 38.03 3khj h TYR 346 CO 0.03 0.68 -0.01 0.37 -0.00 0.00 0.00 178.16 179.23 3khj h GLN 347 N 0.93 1.06 -0.22 4.88 -0.00 -1.40 0.31 115.11 120.67 3khj h GLN 347 Ca 0.23 -0.34 -0.07 0.00 -0.00 0.00 0.00 58.65 58.47 3khj h GLN 347 Cb 0.09 -0.09 -0.01 0.00 0.00 0.00 0.00 27.48 27.47 3khj h GLN 347 CO -0.03 1.04 -0.13 -0.07 0.00 0.00 0.00 178.83 179.64 3khj h LEU 348 N 0.96 0.49 -0.42 -2.39 3.38 -1.24 -0.91 115.31 115.18 3khj h LEU 348 Ca 0.17 -0.43 -0.01 0.00 0.09 0.00 0.00 57.88 57.70 3khj h LEU 348 Cb 0.57 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.17 3khj h LEU 348 CO 0.03 0.81 0.22 0.58 0.09 0.00 0.00 178.44 180.17 3khj h VAL 349 N 0.17 1.17 -0.31 1.22 2.07 -0.97 -1.74 116.25 117.86 3khj h VAL 349 Ca 0.05 -0.46 -0.06 0.00 0.82 0.00 0.00 66.70 67.05 3khj h VAL 349 Cb 0.63 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 31.08 3khj h VAL 349 CO 0.04 0.18 -0.07 1.23 0.02 0.00 0.00 177.57 178.96 3khj h GLY 350 N 0.55 0.55 1.71 2.17 0.00 -0.91 -1.49 103.07 105.65 3khj h GLY 350 Ca 0.15 -0.36 -0.14 0.00 0.00 0.00 0.00 47.33 46.98 3khj h GLY 350 CO -0.02 0.33 -0.53 -1.33 0.00 0.00 0.00 176.54 174.99 3khj h GLY 351 N 0.89 0.34 1.12 4.60 0.00 -0.95 -1.83 103.07 107.24 3khj h GLY 351 Ca 0.10 -0.38 -0.23 0.00 0.00 0.00 0.00 47.33 46.82 3khj h GLY 351 CO 0.02 0.35 -0.82 -2.00 0.00 0.00 0.00 176.54 174.08 3khj h LEU 352 N 0.24 0.87 -0.97 3.11 5.85 -0.99 -1.60 115.31 121.82 3khj h LEU 352 Ca 0.01 -0.68 -0.07 0.00 0.84 0.00 0.00 57.88 57.98 3khj h LEU 352 Cb 1.02 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.77 3khj h LEU 352 CO 0.09 1.42 -0.01 0.03 -0.34 0.00 0.00 178.44 179.63 3khj h ARG 353 N 0.40 0.74 -0.58 1.25 3.08 -1.29 -0.38 114.38 117.61 3khj h ARG 353 Ca -0.08 -0.19 -0.04 0.00 0.07 0.00 0.00 59.98 59.74 3khj h ARG 353 Cb 1.47 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 31.41 3khj h ARG 353 CO 0.17 0.76 0.21 1.03 -1.07 0.00 0.00 179.97 181.06 3khj h SER 354 N 0.69 0.81 -0.22 7.04 0.87 -1.32 -1.52 113.55 119.91 3khj h SER 354 Ca 0.14 -0.19 -0.01 0.00 -1.23 0.00 0.00 61.79 60.50 3khj h SER 354 Cb 0.44 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 62.18 3khj h SER 354 CO 0.02 0.78 0.09 0.00 -0.53 0.00 0.00 176.83 177.19 3khj h MET 356 N 0.21 0.00 -0.40 0.00 2.07 -1.07 -1.94 114.93 113.80 3khj h MET 356 Ca 0.07 0.00 -0.14 0.00 -2.07 0.00 0.00 59.70 57.57 3khj h MET 356 Cb 0.16 0.00 -0.01 0.00 -1.87 0.00 0.00 31.60 29.88 3khj h MET 356 CO -0.01 0.05 -0.30 0.78 1.07 0.00 0.00 176.91 178.51 3khj h GLY 357 N 2.38 0.93 1.67 8.32 0.00 -1.00 -1.17 103.07 114.21 3khj h GLY 357 Ca -0.00 -0.87 -0.09 0.00 0.00 0.00 0.00 47.33 46.36 3khj h GLY 357 CO 0.01 0.79 -0.29 -0.97 0.00 0.00 0.00 176.54 176.08 3khj h TYR 358 N 0.73 0.43 -0.44 5.60 -1.99 -0.75 -3.13 116.97 117.42 3khj h TYR 358 Ca 0.08 -0.09 0.00 0.00 2.00 0.00 0.00 58.73 60.72 3khj h TYR 358 Cb 0.85 -0.11 0.00 0.00 2.00 0.00 0.00 36.73 39.48 3khj h TYR 358 CO 0.05 0.64 0.00 1.28 -0.00 0.00 0.00 178.16 180.13 3khj n LEU 359 N -4.11 3.06 -3.12 3.88 4.32 -0.90 -1.82 117.00 118.31 3khj n LEU 359 Ca -0.01 -1.40 -0.23 0.00 -0.02 0.00 0.00 56.01 54.35 3khj n LEU 359 Cb 0.41 -0.29 0.03 0.00 -1.62 0.00 0.00 43.42 41.96 3khj n LEU 359 CO 0.42 0.70 -0.00 0.61 -1.22 0.00 0.00 177.39 177.90 3khj n GLY 360 N 1.43 -0.52 3.37 -0.72 0.00 -0.82 -4.48 105.19 103.44 3khj n GLY 360 Ca 0.19 0.13 -0.34 0.00 0.00 0.00 0.00 46.02 46.00 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 -2.73 4.27 0.26 1.61 0.01 -0.50 -4.71 113.70 111.91 3khj s SER 361 Ca 0.34 -0.32 0.24 0.00 1.31 0.00 0.00 55.95 57.52 3khj s SER 361 Cb -0.16 -1.70 0.43 0.00 0.21 0.00 0.00 66.02 64.81 3khj s SER 361 CO 0.42 0.09 1.51 0.00 0.41 0.00 0.00 173.24 175.66 3khj h ALA 362 N 7.32 0.83 -2.72 1.44 0.00 -1.93 -3.42 119.26 120.77 3khj h ALA 362 Ca -0.34 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.46 3khj h ALA 362 Cb 1.18 0.00 -0.11 0.00 0.00 0.00 0.00 17.79 18.86 3khj h ALA 362 CO 0.59 0.00 -0.30 -1.54 0.00 0.00 0.00 179.25 178.01 3khj s SER 363 N -5.12 0.00 0.43 0.00 1.04 -1.26 -1.15 113.70 107.64 3khj s SER 363 Ca 0.07 -1.03 0.10 0.00 0.48 0.00 0.00 55.95 55.57 3khj s SER 363 Cb 0.10 0.49 0.94 0.00 0.10 0.00 0.00 66.02 67.65 3khj s SER 363 CO 0.68 -1.00 2.03 0.40 0.98 0.00 0.00 173.24 176.33 3khj h ILE 364 N 2.42 1.10 -0.06 -1.02 1.08 -1.80 -0.77 117.51 118.46 3khj h ILE 364 Ca -0.30 -0.34 0.00 0.00 -0.39 0.00 0.00 64.86 63.83 3khj h ILE 364 Cb 1.24 0.87 -0.00 0.00 -3.07 0.00 0.00 36.82 35.86 3khj h ILE 364 CO 0.43 0.12 0.04 -0.33 -0.69 0.00 0.00 178.15 177.72 3khj h GLU 365 N 0.30 0.08 0.00 2.37 4.39 -1.96 0.32 114.58 120.09 3khj h GLU 365 Ca 0.08 -0.01 -0.07 0.00 0.34 0.00 0.00 59.36 59.70 3khj h GLU 365 Cb 0.10 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.72 3khj h GLU 365 CO -0.01 0.07 -0.34 0.93 -1.16 0.00 0.00 179.01 178.50 3khj h GLU 366 N 0.07 0.00 -0.43 2.33 5.08 -1.87 -2.28 114.58 117.48 3khj h GLU 366 Ca 0.02 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.31 3khj h GLU 366 Cb 0.00 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.24 3khj h GLU 366 CO -0.00 0.34 -0.01 1.25 -1.00 0.00 0.00 179.01 179.59 3khj h LEU 367 N 0.00 0.75 -1.68 1.33 5.85 -0.67 0.29 115.31 121.18 3khj h LEU 367 Ca -0.00 -0.31 -0.04 0.00 0.84 0.00 0.00 57.88 58.36 3khj h LEU 367 Cb 0.65 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.47 3khj h LEU 367 CO 0.04 0.88 -0.19 -0.50 -0.34 0.00 0.00 178.44 178.34 3khj h TRP 368 N 0.60 0.00 0.13 1.25 6.55 -0.73 -2.56 115.95 121.20 3khj h TRP 368 Ca 0.12 0.00 -0.32 0.00 0.95 0.00 0.00 58.89 59.65 3khj h TRP 368 Cb 0.50 0.00 -0.01 0.00 -0.86 0.00 0.00 29.16 28.79 3khj h TRP 368 CO 0.04 0.19 -1.59 -0.22 -1.05 0.00 0.00 178.44 175.81 3khj h LYS 369 N 0.00 0.27 -0.00 0.49 3.64 -1.00 -3.39 116.57 116.57 3khj h LYS 369 Ca -0.00 -0.46 0.00 0.00 -1.27 0.00 0.00 60.65 58.92 3khj h LYS 369 Cb 0.40 0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.39 3khj h LYS 369 CO 0.02 1.13 -0.63 1.63 -2.27 0.00 0.00 179.45 179.33 3khj n LYS 370 N -3.46 2.54 -2.50 1.90 5.02 0.05 -5.03 118.16 116.68 3khj n LYS 370 Ca -0.18 -0.01 -0.40 0.00 -2.02 0.00 0.00 58.31 55.70 3khj n LYS 370 Cb 1.05 -1.14 -0.04 0.00 -0.02 0.00 0.00 35.03 34.88 3khj n LYS 370 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3khj s SER 371 N -2.27 7.24 0.10 4.39 1.04 -0.97 -4.94 113.70 118.29 3khj s SER 371 Ca 0.05 2.22 -0.06 0.00 0.48 0.00 0.00 55.95 58.64 3khj s SER 371 Cb 0.10 -2.62 -0.02 0.00 0.10 0.00 0.00 66.02 63.59 3khj s SER 371 CO 0.55 -0.16 0.15 -0.94 0.98 0.00 0.00 173.24 173.82 3khj s SER 372 N -0.98 0.20 0.04 7.02 1.04 -1.26 -5.04 113.70 114.72 3khj s SER 372 Ca 0.46 -0.84 -0.04 0.00 0.48 0.00 0.00 55.95 56.01 3khj s SER 372 Cb -0.30 0.33 -0.02 0.00 0.10 0.00 0.00 66.02 66.13 3khj s SER 372 CO 0.39 -0.74 0.07 -0.72 0.98 0.00 0.00 173.24 173.21 3khj s TYR 373 N -3.92 0.27 0.26 5.02 1.13 -1.26 -0.80 117.35 118.05 3khj s TYR 373 Ca 0.10 -0.63 0.08 0.00 -1.41 0.00 0.00 57.07 55.21 3khj s TYR 373 Cb 0.05 -0.19 -0.04 0.00 -1.10 0.00 0.00 41.96 40.69 3khj s TYR 373 CO -0.07 -0.36 0.14 0.14 -2.51 0.00 0.00 175.55 172.89 3khj s VAL 374 N -2.86 4.17 -0.13 -3.49 -7.23 -0.22 -4.92 120.40 105.71 3khj s VAL 374 Ca -0.03 -1.54 -0.11 0.00 -1.81 0.00 0.00 61.98 58.49 3khj s VAL 374 Cb 0.00 -3.25 -0.05 0.00 0.56 0.00 0.00 36.38 33.65 3khj s VAL 374 CO -0.06 -0.35 0.22 -1.61 -0.31 0.00 0.00 175.10 172.98 3khj s GLU 375 N -3.80 3.92 0.18 4.82 2.02 -1.26 -1.97 118.70 122.60 3khj s GLU 375 Ca 0.33 -0.01 0.10 0.00 0.02 0.00 0.00 54.97 55.40 3khj s GLU 375 Cb -0.07 -3.32 -0.04 0.00 0.10 0.00 0.00 34.13 30.80 3khj s GLU 375 CO 0.24 0.50 -0.15 0.42 0.02 0.00 0.00 175.26 176.29 3khj s ILE 376 N -0.29 2.89 0.79 -1.63 -1.09 0.54 -4.98 121.20 117.44 3khj s ILE 376 Ca 0.15 -1.77 -0.05 0.00 -2.23 0.00 0.00 60.65 56.75 3khj s ILE 376 Cb -0.13 -2.41 0.15 0.00 -1.58 0.00 0.00 42.46 38.49 3khj s ILE 376 CO 0.04 -0.09 1.09 0.42 -1.23 0.00 0.00 174.94 175.17 3khj s THR 377 N -1.65 2.09 -0.00 2.92 -4.23 -1.26 -4.83 115.64 108.67 3khj s THR 377 Ca 0.23 -0.42 -0.00 0.00 -1.18 0.00 0.00 61.69 60.32 3khj s THR 377 Cb -0.09 -2.67 -0.00 0.00 1.34 0.00 0.00 72.50 71.08 3khj s THR 377 CO 0.13 0.00 0.38 0.71 -0.54 0.00 0.00 174.62 175.30 3khj h THR 378 N -0.86 0.00 -0.02 3.99 1.35 -1.98 -3.50 112.91 111.89 3khj h THR 378 Ca -0.39 -0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.47 3khj h THR 378 Cb 1.26 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.68 3khj h THR 378 CO 0.39 0.00 0.00 -1.20 -0.25 0.00 0.00 175.52 174.46