#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kft h LYS 4 N 0.00 0.00 -0.39 3.49 1.57 -2.00 -3.26 116.57 115.98 3kft h LYS 4 Ca 0.00 0.00 0.11 0.00 -1.87 0.00 0.00 60.65 58.89 3kft h LYS 4 Cb 0.00 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.29 3kft h LYS 4 CO 0.00 0.01 0.56 1.25 -0.57 0.00 0.00 179.45 180.70 3kft h LEU 5 N 0.00 0.00 -3.11 2.94 5.85 -1.94 -1.12 115.31 117.93 3kft h LEU 5 Ca -0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3kft h LEU 5 Cb 0.97 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.00 3kft h LEU 5 CO 0.00 0.00 0.00 0.49 -0.34 0.00 0.00 178.44 178.59 3kft n PHE 6 N -3.39 0.81 -3.01 1.25 3.72 -1.23 -1.00 117.46 114.61 3kft n PHE 6 Ca 0.07 -0.70 -0.25 0.00 -0.05 0.00 0.00 57.45 56.52 3kft n PHE 6 Cb 0.72 -0.20 0.00 0.00 -0.94 0.00 0.00 39.48 39.06 3kft n PHE 6 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 3kft s THR 7 N -2.02 4.59 0.74 4.37 -4.23 -0.43 -4.62 115.64 114.05 3kft s THR 7 Ca 0.35 -0.29 -0.11 0.00 -1.18 0.00 0.00 61.69 60.47 3kft s THR 7 Cb 0.25 -3.71 0.04 0.00 1.34 0.00 0.00 72.50 70.42 3kft s THR 7 CO 0.13 -0.55 1.08 -2.84 -0.54 0.00 0.00 174.62 171.90 3kft s PRO 8 N -4.54 2.54 -0.16 3.99 0.02 -1.23 -3.64 135.00 131.98 3kft s PRO 8 Ca 0.45 1.04 -0.08 0.00 0.02 0.00 0.00 61.00 62.43 3kft s PRO 8 Cb -0.10 -1.94 0.06 0.00 0.02 0.00 0.00 34.50 32.54 3kft s PRO 8 CO 0.39 -1.40 0.38 -1.17 -0.33 0.00 0.00 177.00 174.86 3kft s LEU 9 N -5.75 -0.01 -0.18 -5.54 2.96 0.36 -4.90 118.68 105.62 3kft s LEU 9 Ca 0.60 0.82 -0.25 0.00 -0.22 0.00 0.00 54.13 55.07 3kft s LEU 9 Cb -0.16 1.22 -0.01 0.00 0.50 0.00 0.00 46.19 47.74 3kft s LEU 9 CO 0.56 -0.19 0.83 -0.75 -1.32 0.00 0.00 176.35 175.48 3kft s LYS 10 N 1.43 4.28 -0.42 1.98 2.20 -1.26 0.34 119.74 128.28 3kft s LYS 10 Ca -0.09 1.00 0.01 0.00 -0.36 0.00 0.00 55.97 56.53 3kft s LYS 10 Cb -0.09 -3.59 0.11 0.00 -1.51 0.00 0.00 37.83 32.76 3kft s LYS 10 CO -0.12 -0.36 0.18 0.08 -0.36 0.00 0.00 175.35 174.76 3kft s VAL 11 N 2.28 2.82 0.00 4.02 1.01 0.13 -4.90 120.40 125.75 3kft s VAL 11 Ca 0.38 -2.47 0.00 0.00 0.00 0.00 0.00 61.98 59.89 3kft s VAL 11 Cb -0.16 -2.98 0.00 0.00 0.00 0.00 0.00 36.38 33.24 3kft s VAL 11 CO 0.11 -0.69 0.00 0.61 0.00 0.00 0.00 175.10 175.13 3kft n GLY 12 N 4.10 3.44 0.00 4.51 0.00 -1.26 -1.37 105.19 114.61 3kft n GLY 12 Ca 0.03 0.21 0.14 0.00 0.00 0.00 0.00 46.02 46.39 3kft n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kft n ALA 13 N 11.62 2.46 -2.43 4.61 0.00 -0.21 -4.80 120.51 131.76 3kft n ALA 13 Ca 0.00 -0.15 -0.22 0.00 0.00 0.00 0.00 53.44 53.07 3kft n ALA 13 Cb 0.00 -1.46 -0.10 0.00 0.00 0.00 0.00 19.45 17.89 3kft n ALA 13 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 3kft s VAL 14 N -2.33 1.84 -0.16 0.00 -7.23 -0.47 -5.12 120.40 106.93 3kft s VAL 14 Ca 0.34 -2.19 -0.00 0.00 -1.81 0.00 0.00 61.98 58.32 3kft s VAL 14 Cb 0.19 -2.38 -0.00 0.00 0.56 0.00 0.00 36.38 34.75 3kft s VAL 14 CO 0.38 -0.36 -0.15 -0.89 -0.31 0.00 0.00 175.10 173.78 3kft s THR 15 N -2.89 2.68 -0.00 5.32 2.01 -1.26 0.19 115.64 121.69 3kft s THR 15 Ca 0.29 -0.76 -0.23 0.00 0.31 0.00 0.00 61.69 61.30 3kft s THR 15 Cb 0.02 -2.14 -0.05 0.00 0.01 0.00 0.00 72.50 70.34 3kft s THR 15 CO 0.12 0.51 0.67 0.00 -0.69 0.00 0.00 174.62 175.23 3kft s ALA 16 N 0.89 3.42 0.64 7.40 0.00 0.15 -4.92 121.76 129.34 3kft s ALA 16 Ca -0.04 0.13 0.43 0.00 0.00 0.00 0.00 51.96 52.48 3kft s ALA 16 Cb -0.15 -2.87 2.34 0.00 0.00 0.00 0.00 23.12 22.45 3kft s ALA 16 CO -0.01 0.08 2.35 -1.35 0.00 0.00 0.00 175.76 176.83 3kft h PRO 17 N 5.87 0.00 -3.13 0.00 0.11 -1.85 0.10 132.00 133.11 3kft h PRO 17 Ca -0.44 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.67 3kft h PRO 17 Cb 1.20 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.28 3kft h PRO 17 CO 0.71 0.00 0.19 0.54 -0.21 0.00 0.00 178.00 179.23 3kft s ASN 18 N -5.28 -0.06 -0.24 -2.05 2.20 -1.24 -3.54 114.94 104.73 3kft s ASN 18 Ca -0.05 -0.92 0.14 0.00 -0.94 0.00 0.00 52.86 51.10 3kft s ASN 18 Cb 0.13 0.76 0.79 0.00 -2.00 0.00 0.00 41.25 40.93 3kft s ASN 18 CO 0.43 -1.47 1.72 0.54 -2.94 0.00 0.00 177.10 175.39 3kft n ARG 19 N -0.49 4.60 -3.25 3.55 1.74 -0.17 -4.28 116.66 118.36 3kft n ARG 19 Ca -0.05 -3.13 -0.46 0.00 -0.77 0.00 0.00 57.85 53.43 3kft n ARG 19 Cb 0.60 -2.22 -0.04 0.00 -1.02 0.00 0.00 32.46 29.78 3kft n ARG 19 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3kft s VAL 20 N -2.81 5.26 0.10 1.55 1.01 -1.26 -2.02 120.40 122.24 3kft s VAL 20 Ca 0.53 -1.80 -0.06 0.00 0.00 0.00 0.00 61.98 60.66 3kft s VAL 20 Cb 0.41 -4.45 -0.05 0.00 0.00 0.00 0.00 36.38 32.29 3kft s VAL 20 CO 0.15 -1.03 0.35 -0.36 0.00 0.00 0.00 175.10 174.21 3kft s PHE 21 N 1.32 3.52 -0.29 5.22 0.40 0.01 -1.07 117.98 127.09 3kft s PHE 21 Ca 0.13 0.59 -0.17 0.00 -0.60 0.00 0.00 56.93 56.88 3kft s PHE 21 Cb -0.19 -2.02 -0.02 0.00 0.51 0.00 0.00 43.02 41.29 3kft s PHE 21 CO -0.02 0.49 0.48 1.41 0.70 0.00 0.00 175.22 178.28 3kft s MET 22 N -2.34 3.91 0.68 0.44 -2.45 -0.22 -0.89 119.30 118.43 3kft s MET 22 Ca 0.37 0.10 -0.14 0.00 -1.25 0.00 0.00 55.69 54.76 3kft s MET 22 Cb -0.13 -3.70 0.01 0.00 1.25 0.00 0.00 34.83 32.26 3kft s MET 22 CO 0.22 -0.43 1.11 0.00 1.05 0.00 0.00 175.02 176.97 3kft s ALA 23 N 2.28 2.43 0.27 4.11 0.00 -0.87 -0.98 121.76 129.00 3kft s ALA 23 Ca 0.19 0.51 -0.30 0.00 0.00 0.00 0.00 51.96 52.36 3kft s ALA 23 Cb -0.16 -3.31 -0.10 0.00 0.00 0.00 0.00 23.12 19.55 3kft s ALA 23 CO 0.11 -1.37 1.40 -1.25 0.00 0.00 0.00 175.76 174.65 3kft s PRO 24 N -4.22 4.29 -0.29 0.00 0.04 -1.22 -4.68 135.00 128.92 3kft s PRO 24 Ca 0.66 2.28 -0.04 0.00 0.04 0.00 0.00 61.00 63.94 3kft s PRO 24 Cb -0.20 -3.10 0.10 0.00 0.04 0.00 0.00 34.50 31.34 3kft s PRO 24 CO 0.44 -0.35 0.13 -0.51 0.04 0.00 0.00 177.00 176.75 3kft s LEU 25 N -0.83 0.58 -0.03 -3.56 1.43 -1.26 -4.88 118.68 110.13 3kft s LEU 25 Ca 0.56 -1.33 -0.30 0.00 -1.03 0.00 0.00 54.13 52.03 3kft s LEU 25 Cb -0.41 -0.36 -0.06 0.00 0.03 0.00 0.00 46.19 45.39 3kft s LEU 25 CO 0.47 -0.43 1.69 -0.89 0.23 0.00 0.00 176.35 177.42 3kft s THR 26 N 2.05 3.48 0.00 5.49 2.01 -1.26 -4.18 115.64 123.23 3kft s THR 26 Ca 0.09 0.60 0.00 0.00 0.31 0.00 0.00 61.69 62.70 3kft s THR 26 Cb -0.16 -3.39 0.00 0.00 0.01 0.00 0.00 72.50 68.96 3kft s THR 26 CO -0.35 -0.05 0.00 0.54 -0.69 0.00 0.00 174.62 174.07 3kft n ARG 27 N 7.08 3.80 -2.68 4.92 5.12 -1.26 -4.78 116.66 128.86 3kft n ARG 27 Ca 0.17 0.00 -0.12 0.00 -1.93 0.00 0.00 57.85 55.97 3kft n ARG 27 Cb 0.42 -0.58 0.02 0.00 -1.16 0.00 0.00 32.46 31.17 3kft n ARG 27 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 3kft n LEU 28 N -0.91 -2.17 -0.59 0.55 4.77 -1.26 -1.40 117.00 115.99 3kft n LEU 28 Ca 0.00 -0.16 0.06 0.00 -0.03 0.00 0.00 56.01 55.89 3kft n LEU 28 Cb 0.00 -1.83 0.17 0.00 -2.33 0.00 0.00 43.42 39.43 3kft n LEU 28 CO 0.00 0.13 0.64 0.54 -1.33 0.00 0.00 177.39 177.37 3kft n ARG 29 N -2.51 2.74 -1.44 3.23 1.74 -1.15 -3.99 116.66 115.28 3kft n ARG 29 Ca -0.06 -2.33 -0.30 0.00 -0.77 0.00 0.00 57.85 54.39 3kft n ARG 29 Cb 0.56 -1.47 0.10 0.00 -1.02 0.00 0.00 32.46 30.64 3kft n ARG 29 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 3kft s SER 30 N -1.54 4.21 -0.06 0.55 0.01 -0.66 -4.84 113.70 111.36 3kft s SER 30 Ca 0.28 1.38 -0.26 0.00 1.31 0.00 0.00 55.95 58.66 3kft s SER 30 Cb 0.20 -2.10 -0.03 0.00 0.21 0.00 0.00 66.02 64.31 3kft s SER 30 CO 0.10 -2.16 0.82 -0.63 0.41 0.00 0.00 173.24 171.77 3kft s ILE 31 N -3.08 4.96 -0.01 1.44 1.01 -0.44 -4.72 121.20 120.35 3kft s ILE 31 Ca 0.61 1.68 0.07 0.00 0.00 0.00 0.00 60.65 63.02 3kft s ILE 31 Cb -0.15 -4.15 -0.02 0.00 0.01 0.00 0.00 42.46 38.14 3kft s ILE 31 CO 0.55 0.18 -0.22 -1.61 0.00 0.00 0.00 174.94 173.84 3kft s GLU 32 N 1.11 2.18 0.77 2.79 2.02 -1.26 -0.65 118.70 125.67 3kft s GLU 32 Ca 0.42 -0.89 -0.11 0.00 0.02 0.00 0.00 54.97 54.42 3kft s GLU 32 Cb -0.19 -2.14 0.05 0.00 0.10 0.00 0.00 34.13 31.96 3kft s GLU 32 CO 0.20 0.57 1.08 -2.14 0.02 0.00 0.00 175.26 174.99 3kft s PRO 33 N -0.79 2.31 0.00 0.39 0.02 -1.26 -4.98 135.00 130.69 3kft s PRO 33 Ca 0.11 0.96 0.00 0.00 0.02 0.00 0.00 61.00 62.10 3kft s PRO 33 Cb -0.10 -1.92 0.00 0.00 0.02 0.00 0.00 34.50 32.50 3kft s PRO 33 CO 0.00 -1.54 0.00 0.41 -0.33 0.00 0.00 177.00 175.54 3kft n GLY 34 N -1.60 2.05 3.76 0.52 0.00 -1.25 -4.64 105.19 104.03 3kft n GLY 34 Ca 0.08 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.87 3kft n GLY 34 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3kft n ASP 35 N 0.00 -1.34 -4.65 1.61 8.00 0.18 -4.72 116.55 115.62 3kft n ASP 35 Ca 0.00 -0.88 -0.37 0.00 0.71 0.00 0.00 54.79 54.24 3kft n ASP 35 Cb 0.00 -3.76 -0.09 0.00 -0.02 0.00 0.00 41.12 37.25 3kft n ASP 35 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3kft s ILE 36 N -3.73 5.31 0.87 0.53 1.01 -0.83 -1.12 121.20 123.25 3kft s ILE 36 Ca 0.05 0.31 -0.14 0.00 0.00 0.00 0.00 60.65 60.87 3kft s ILE 36 Cb -0.01 -3.56 -0.00 0.00 0.01 0.00 0.00 42.46 38.89 3kft s ILE 36 CO 0.83 0.31 0.37 -2.65 0.00 0.00 0.00 174.94 173.80 3kft n PRO 37 N 4.46 -0.07 -4.36 2.79 -0.02 -1.26 -1.33 135.00 135.21 3kft n PRO 37 Ca -0.13 0.02 -0.19 0.00 -2.02 0.00 0.00 63.50 61.19 3kft n PRO 37 Cb 0.52 -1.79 -0.10 0.00 -0.02 0.00 0.00 33.50 32.11 3kft n PRO 37 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3kft s THR 38 N -2.20 1.48 0.51 3.45 -4.23 -1.26 -4.80 115.64 108.59 3kft s THR 38 Ca 0.59 -2.12 0.25 0.00 -1.18 0.00 0.00 61.69 59.22 3kft s THR 38 Cb -0.26 -2.24 0.30 0.00 1.34 0.00 0.00 72.50 71.65 3kft s THR 38 CO 0.65 -0.44 2.15 -0.65 -0.54 0.00 0.00 174.62 175.79 3kft h PRO 39 N 2.46 0.00 -0.30 3.99 0.11 -1.96 -0.86 132.00 135.44 3kft h PRO 39 Ca -0.39 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.71 3kft h PRO 39 Cb 1.22 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 3kft h PRO 39 CO 0.65 0.06 0.12 1.25 -0.21 0.00 0.00 178.00 179.87 3kft h LEU 40 N 0.00 0.41 -0.84 2.35 5.85 -1.98 0.27 115.31 121.37 3kft h LEU 40 Ca -0.00 -0.16 0.05 0.00 0.84 0.00 0.00 57.88 58.61 3kft h LEU 40 Cb 0.14 -0.11 -0.06 0.00 0.37 0.00 0.00 40.66 41.01 3kft h LEU 40 CO 0.01 0.46 0.52 0.24 -0.34 0.00 0.00 178.44 179.33 3kft h MET 41 N 0.34 0.94 -0.37 1.25 2.86 -1.69 0.12 114.93 118.38 3kft h MET 41 Ca 0.10 -0.06 0.04 0.00 -2.06 0.00 0.00 59.70 57.72 3kft h MET 41 Cb 0.18 -0.21 -0.04 0.00 0.06 0.00 0.00 31.60 31.59 3kft h MET 41 CO -0.01 0.62 0.14 0.78 1.06 0.00 0.00 176.91 179.50 3kft h GLY 42 N 0.96 0.48 1.00 8.32 0.00 0.03 -1.11 103.07 112.75 3kft h GLY 42 Ca 0.36 -0.08 -0.01 0.00 0.00 0.00 0.00 47.33 47.60 3kft h GLY 42 CO -0.16 0.04 0.39 -2.09 0.00 0.00 0.00 176.54 174.72 3kft h GLU 43 N 0.30 0.90 -0.38 4.80 4.57 0.52 -1.12 114.58 124.17 3kft h GLU 43 Ca 0.17 -0.09 0.06 0.00 -1.18 0.00 0.00 59.36 58.32 3kft h GLU 43 Cb 0.13 -0.19 -0.05 0.00 -0.16 0.00 0.00 28.75 28.49 3kft h GLU 43 CO -0.16 0.66 0.06 -0.92 -1.18 0.00 0.00 179.01 177.46 3kft h TYR 44 N 0.90 0.09 -0.26 0.92 3.20 -0.28 -0.52 116.97 121.01 3kft h TYR 44 Ca 0.24 0.02 -0.18 0.00 3.14 0.00 0.00 58.73 61.95 3kft h TYR 44 Cb -0.00 0.02 0.00 0.00 1.54 0.00 0.00 36.73 38.29 3kft h TYR 44 CO -0.01 -0.01 -0.56 1.88 -1.64 0.00 0.00 178.16 177.82 3kft h TYR 45 N 0.18 1.06 -0.66 -3.82 0.05 -1.07 -3.05 116.97 109.66 3kft h TYR 45 Ca 0.18 -0.39 0.08 0.00 0.05 0.00 0.00 58.73 58.66 3kft h TYR 45 Cb 0.23 -0.19 -0.07 0.00 1.01 0.00 0.00 36.73 37.71 3kft h TYR 45 CO -0.21 1.22 0.32 -0.09 -1.05 0.00 0.00 178.16 178.35 3kft h ARG 46 N 0.61 0.54 -0.77 4.88 2.43 -1.01 -0.86 114.38 120.19 3kft h ARG 46 Ca 0.00 -0.03 0.22 0.00 -0.81 0.00 0.00 59.98 59.37 3kft h ARG 46 Cb 1.17 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 30.57 3kft h ARG 46 CO 0.12 0.36 0.57 1.96 -1.51 0.00 0.00 179.97 181.47 3kft h GLN 47 N 0.56 0.00 -0.35 0.20 4.20 -0.98 -1.94 115.11 116.79 3kft h GLN 47 Ca 0.32 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.03 3kft h GLN 47 Cb 0.33 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.11 3kft h GLN 47 CO -0.26 0.00 0.00 0.54 -0.67 0.00 0.00 178.83 178.44 3kft n ARG 48 N -4.25 3.35 0.00 1.46 1.74 -0.35 -4.50 116.66 114.10 3kft n ARG 48 Ca 0.16 -2.84 0.05 0.00 -0.77 0.00 0.00 57.85 54.45 3kft n ARG 48 Cb 0.86 -1.88 0.27 0.00 -1.02 0.00 0.00 32.46 30.69 3kft n ARG 48 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3kft n ALA 49 N -0.11 1.65 1.18 7.54 0.00 -0.73 -1.48 120.51 128.56 3kft n ALA 49 Ca 0.22 -0.05 0.13 0.00 0.00 0.00 0.00 53.44 53.74 3kft n ALA 49 Cb 0.91 -1.18 0.65 0.00 0.00 0.00 0.00 19.45 19.83 3kft n ALA 49 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3kft n SER 50 N -1.33 0.00 -4.65 0.00 3.41 -1.26 -4.11 113.62 105.69 3kft n SER 50 Ca 0.05 0.04 -0.44 0.00 -0.26 0.00 0.00 58.87 58.26 3kft n SER 50 Cb 0.10 -0.33 -0.01 0.00 -0.26 0.00 0.00 64.21 63.70 3kft n SER 50 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3kft n ALA 51 N -1.33 0.58 -0.21 7.33 0.00 -0.55 -4.87 120.51 121.46 3kft n ALA 51 Ca 0.11 0.38 0.01 0.00 0.00 0.00 0.00 53.44 53.95 3kft n ALA 51 Cb 0.23 -2.15 0.10 0.00 0.00 0.00 0.00 19.45 17.63 3kft n ALA 51 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3kft h GLY 52 N 2.59 0.65 -5.69 0.00 0.00 -1.28 -3.42 103.07 95.92 3kft h GLY 52 Ca -0.43 0.11 -0.19 0.00 0.00 0.00 0.00 47.33 46.82 3kft h GLY 52 CO 0.64 -0.22 -0.48 -2.27 0.00 0.00 0.00 176.54 174.21 3kft s LEU 53 N -10.73 0.83 -0.13 3.11 2.96 -1.26 -4.46 118.68 109.00 3kft s LEU 53 Ca -0.14 0.47 -0.18 0.00 -0.22 0.00 0.00 54.13 54.07 3kft s LEU 53 Cb 0.19 0.73 -0.04 0.00 0.50 0.00 0.00 46.19 47.57 3kft s LEU 53 CO 0.74 -0.12 0.45 -0.63 -1.32 0.00 0.00 176.35 175.47 3kft s ILE 54 N 0.64 5.20 -0.24 6.68 1.01 0.09 -1.05 121.20 133.53 3kft s ILE 54 Ca -0.04 0.90 -0.04 0.00 0.00 0.00 0.00 60.65 61.47 3kft s ILE 54 Cb -0.06 -3.79 0.01 0.00 0.01 0.00 0.00 42.46 38.63 3kft s ILE 54 CO -0.04 0.33 -0.03 -0.63 0.00 0.00 0.00 174.94 174.58 3kft s ILE 55 N 0.62 3.28 0.96 2.92 1.01 -0.15 -0.06 121.20 129.78 3kft s ILE 55 Ca 0.25 -0.74 -0.11 0.00 0.00 0.00 0.00 60.65 60.04 3kft s ILE 55 Cb -0.15 -2.60 0.17 0.00 0.01 0.00 0.00 42.46 39.90 3kft s ILE 55 CO 0.09 0.27 1.10 -0.94 0.00 0.00 0.00 174.94 175.46 3kft s SER 56 N 1.42 2.70 0.54 3.58 1.04 -0.36 -3.40 113.70 119.23 3kft s SER 56 Ca 0.03 1.82 -0.19 0.00 0.48 0.00 0.00 55.95 58.09 3kft s SER 56 Cb -0.16 -2.41 -0.08 0.00 0.10 0.00 0.00 66.02 63.48 3kft s SER 56 CO -0.03 -3.18 0.69 -1.84 0.98 0.00 0.00 173.24 169.87 3kft n GLU 57 N -4.26 0.71 -1.54 4.02 0.28 -1.26 -3.99 120.64 114.61 3kft n GLU 57 Ca 0.08 0.27 -0.48 0.00 -0.16 0.00 0.00 57.16 56.87 3kft n GLU 57 Cb 0.53 -1.84 -0.03 0.00 1.43 0.00 0.00 31.44 31.53 3kft n GLU 57 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3kft n ALA 58 N -1.47 -1.26 -3.61 -1.84 0.00 -1.26 -4.27 120.51 106.80 3kft n ALA 58 Ca 0.12 0.45 -0.21 0.00 0.00 0.00 0.00 53.44 53.80 3kft n ALA 58 Cb 0.46 -1.92 -0.16 0.00 0.00 0.00 0.00 19.45 17.82 3kft n ALA 58 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3kft s THR 59 N -0.61 0.60 0.31 0.00 2.01 -0.13 -4.42 115.64 113.40 3kft s THR 59 Ca 0.68 -0.15 -0.30 0.00 0.31 0.00 0.00 61.69 62.23 3kft s THR 59 Cb -0.85 -0.62 -0.12 0.00 0.01 0.00 0.00 72.50 70.93 3kft s THR 59 CO 0.56 0.24 1.57 0.00 -0.69 0.00 0.00 174.62 176.30 3kft n GLN 60 N 4.07 2.69 0.00 4.92 3.00 -0.70 -2.00 117.38 129.36 3kft n GLN 60 Ca -0.24 0.96 0.15 0.00 -0.01 0.00 0.00 57.00 57.85 3kft n GLN 60 Cb 0.51 -2.73 0.73 0.00 0.00 0.00 0.00 30.24 28.75 3kft n GLN 60 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.06 177.50 3kft n ILE 61 N 1.78 0.00 -3.63 5.09 -5.35 -0.77 -2.06 119.36 114.43 3kft n ILE 61 Ca 0.07 -0.01 -0.04 0.00 -0.27 0.00 0.00 62.75 62.50 3kft n ILE 61 Cb 0.37 -0.45 -0.01 0.00 -1.74 0.00 0.00 39.64 37.80 3kft n ILE 61 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 3kft s SER 62 N -2.61 -0.21 0.30 7.28 1.04 -1.26 -4.64 113.70 113.60 3kft s SER 62 Ca 0.27 -0.18 0.09 0.00 0.48 0.00 0.00 55.95 56.61 3kft s SER 62 Cb 0.20 0.36 0.48 0.00 0.10 0.00 0.00 66.02 67.16 3kft s SER 62 CO 0.47 -0.62 1.70 0.00 0.98 0.00 0.00 173.24 175.77 3kft h ALA 63 N 2.00 1.13 -0.25 5.32 0.00 -1.98 -2.29 119.26 123.18 3kft h ALA 63 Ca -0.23 -0.44 -0.05 0.00 0.00 0.00 0.00 54.91 54.19 3kft h ALA 63 Cb 1.22 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 3kft h ALA 63 CO 0.27 0.61 -0.06 0.37 0.00 0.00 0.00 179.25 180.44 3kft h GLN 64 N 0.10 0.40 0.00 0.00 4.15 -1.95 -2.83 115.11 114.98 3kft h GLN 64 Ca 0.00 -0.09 0.00 0.00 0.77 0.00 0.00 58.65 59.34 3kft h GLN 64 Cb 0.87 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 28.50 3kft h GLN 64 CO 0.07 0.48 0.00 0.00 -1.93 0.00 0.00 178.83 177.44 3kft h ALA 65 N 1.56 1.00 -2.51 3.38 0.00 -1.75 -3.45 119.26 117.49 3kft h ALA 65 Ca 0.08 0.00 -0.53 0.00 0.00 0.00 0.00 54.91 54.46 3kft h ALA 65 Cb 0.36 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.17 3kft h ALA 65 CO 0.02 0.00 0.78 0.21 0.00 0.00 0.00 179.25 180.26 3kft s LYS 66 N -4.00 4.29 0.00 0.00 2.20 -1.07 -1.69 119.74 119.48 3kft s LYS 66 Ca -0.04 2.10 0.00 0.00 -0.36 0.00 0.00 55.97 57.67 3kft s LYS 66 Cb 0.11 -3.33 0.00 0.00 -1.51 0.00 0.00 37.83 33.10 3kft s LYS 66 CO 0.38 -0.50 0.15 0.41 -0.36 0.00 0.00 175.35 175.43 3kft n GLY 67 N 3.59 0.25 2.84 5.54 0.00 -1.26 -4.74 105.19 111.41 3kft n GLY 67 Ca 0.12 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.93 3kft n GLY 67 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3kft s TYR 68 N -0.23 0.76 0.07 1.61 2.02 -1.26 -4.29 117.35 116.03 3kft s TYR 68 Ca 0.00 -0.23 -0.31 0.00 -0.37 0.00 0.00 57.07 56.17 3kft s TYR 68 Cb 0.00 -0.76 -0.09 0.00 -0.40 0.00 0.00 41.96 40.71 3kft s TYR 68 CO 0.00 -0.27 1.82 0.00 -1.57 0.00 0.00 175.55 175.53 3kft s ALA 69 N 1.42 3.68 0.00 3.71 0.00 -0.65 -2.82 121.76 127.10 3kft s ALA 69 Ca -0.03 1.32 0.00 0.00 0.00 0.00 0.00 51.96 53.25 3kft s ALA 69 Cb -0.13 -3.77 0.00 0.00 0.00 0.00 0.00 23.12 19.21 3kft s ALA 69 CO -0.03 -1.32 0.00 0.41 0.00 0.00 0.00 175.76 174.82 3kft n GLY 70 N 4.27 0.34 3.75 0.00 0.00 -1.26 -4.75 105.19 107.54 3kft n GLY 70 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 3kft n GLY 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kft s ALA 71 N -2.00 3.35 0.76 4.61 0.00 -1.13 -1.65 121.76 125.70 3kft s ALA 71 Ca 0.00 0.73 -0.11 0.00 0.00 0.00 0.00 51.96 52.58 3kft s ALA 71 Cb 0.00 -3.29 0.05 0.00 0.00 0.00 0.00 23.12 19.88 3kft s ALA 71 CO 0.00 -0.02 1.08 -1.25 0.00 0.00 0.00 175.76 175.57 3kft s PRO 72 N -0.86 2.39 0.40 0.00 0.04 -1.26 -4.78 135.00 130.93 3kft s PRO 72 Ca 0.45 0.76 0.08 0.00 0.04 0.00 0.00 61.00 62.32 3kft s PRO 72 Cb -0.28 -1.94 -0.06 0.00 0.04 0.00 0.00 34.50 32.26 3kft s PRO 72 CO 0.35 -1.44 0.12 0.20 0.04 0.00 0.00 177.00 176.27 3kft s GLY 73 N -3.86 2.31 -0.28 0.56 0.00 -0.28 -1.72 107.32 104.05 3kft s GLY 73 Ca 0.60 -2.11 0.19 0.00 0.00 0.00 0.00 44.72 43.39 3kft s GLY 73 CO 0.55 -1.94 1.09 -0.10 0.00 0.00 0.00 173.10 172.69 3kft n LEU 74 N -1.13 2.16 0.00 0.66 7.94 -0.87 -4.78 117.00 120.97 3kft n LEU 74 Ca -0.02 -3.49 0.00 0.00 -1.11 0.00 0.00 56.01 51.39 3kft n LEU 74 Cb 0.64 0.31 0.00 0.00 0.53 0.00 0.00 43.42 44.91 3kft n LEU 74 CO 0.46 1.33 -0.14 0.00 -1.11 0.00 0.00 177.39 177.94 3kft n HIS 75 N -0.51 0.00 -4.27 1.96 1.44 -1.26 -4.71 115.22 107.88 3kft n HIS 75 Ca 0.14 0.00 -0.24 0.00 -2.01 0.00 0.00 57.72 55.61 3kft n HIS 75 Cb 0.82 0.00 -0.07 0.00 0.12 0.00 0.00 29.99 30.86 3kft n HIS 75 CO 0.00 0.00 0.00 -1.54 -2.81 0.00 0.00 176.34 171.99 3kft s SER 76 N -1.27 4.64 0.25 4.39 1.04 -1.26 -5.02 113.70 116.46 3kft s SER 76 Ca 0.00 -0.57 -0.05 0.00 0.48 0.00 0.00 55.95 55.80 3kft s SER 76 Cb 0.00 -0.91 0.27 0.00 0.10 0.00 0.00 66.02 65.48 3kft s SER 76 CO 0.00 0.02 1.85 -0.65 0.98 0.00 0.00 173.24 175.44 3kft h PRO 77 N 2.03 1.15 -0.39 4.02 0.11 -1.98 0.77 132.00 137.70 3kft h PRO 77 Ca -0.45 -0.16 0.05 0.00 0.11 0.00 0.00 66.00 65.55 3kft h PRO 77 Cb 1.24 -0.21 -0.04 0.00 0.11 0.00 0.00 31.00 32.09 3kft h PRO 77 CO 0.60 0.87 0.13 0.93 -0.21 0.00 0.00 178.00 180.33 3kft h GLU 78 N 1.14 0.28 -0.44 1.05 5.08 -1.97 -0.09 114.58 119.64 3kft h GLU 78 Ca 0.28 -0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.58 3kft h GLU 78 Cb 0.10 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 3kft h GLU 78 CO -0.04 0.19 0.11 1.96 -1.00 0.00 0.00 179.01 180.23 3kft h GLN 79 N 0.29 0.70 -0.35 2.33 4.20 -1.81 -2.22 115.11 118.26 3kft h GLN 79 Ca 0.18 -0.17 -0.07 0.00 0.06 0.00 0.00 58.65 58.65 3kft h GLN 79 Cb 0.16 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.83 3kft h GLN 79 CO -0.18 0.70 -0.06 0.82 -0.67 0.00 0.00 178.83 179.44 3kft h ILE 80 N 0.58 1.27 -0.53 2.54 2.04 -0.57 -1.25 117.51 121.61 3kft h ILE 80 Ca 0.14 -1.10 0.01 0.00 1.00 0.00 0.00 64.86 64.91 3kft h ILE 80 Cb 0.31 1.27 -0.03 0.00 -0.74 0.00 0.00 36.82 37.64 3kft h ILE 80 CO 0.00 0.36 0.35 0.00 0.00 0.00 0.00 178.15 178.86 3kft h ALA 81 N 0.83 0.67 -0.74 1.87 0.00 -1.04 -0.42 119.26 120.42 3kft h ALA 81 Ca 0.09 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 3kft h ALA 81 Cb 0.55 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 3kft h ALA 81 CO 0.03 0.10 0.25 0.00 0.00 0.00 0.00 179.25 179.63 3kft h ALA 82 N 1.20 1.04 -0.63 0.00 0.00 -1.19 -2.46 119.26 117.22 3kft h ALA 82 Ca 0.19 -0.21 -0.09 0.00 0.00 0.00 0.00 54.91 54.80 3kft h ALA 82 Cb -0.07 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.40 3kft h ALA 82 CO -0.05 0.65 0.05 -1.49 0.00 0.00 0.00 179.25 178.42 3kft h TRP 83 N 1.09 1.15 -0.64 0.00 4.06 -0.91 -2.92 115.95 117.79 3kft h TRP 83 Ca 0.24 -0.18 0.13 0.00 2.06 0.00 0.00 58.89 61.15 3kft h TRP 83 Cb 0.28 -0.31 -0.10 0.00 -1.00 0.00 0.00 29.16 28.02 3kft h TRP 83 CO 0.02 0.99 0.06 0.87 -3.56 0.00 0.00 178.44 176.83 3kft h LYS 84 N 0.99 0.17 -0.55 0.49 1.57 -0.60 0.20 116.57 118.84 3kft h LYS 84 Ca 0.19 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.93 3kft h LYS 84 Cb 0.50 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.74 3kft h LYS 84 CO 0.02 0.11 0.25 0.87 -0.57 0.00 0.00 179.45 180.13 3kft h LYS 85 N 0.17 0.80 -0.68 3.15 1.57 -1.35 0.08 116.57 120.32 3kft h LYS 85 Ca 0.34 -0.13 0.00 0.00 -1.87 0.00 0.00 60.65 59.00 3kft h LYS 85 Cb 0.56 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.70 3kft h LYS 85 CO -0.51 0.67 0.43 0.82 -0.57 0.00 0.00 179.45 180.30 3kft h ILE 86 N 0.74 1.18 -0.36 1.86 2.04 -0.89 -0.97 117.51 121.12 3kft h ILE 86 Ca 0.19 -0.37 -0.17 0.00 1.00 0.00 0.00 64.86 65.51 3kft h ILE 86 Cb 0.15 0.21 -0.00 0.00 -0.74 0.00 0.00 36.82 36.44 3kft h ILE 86 CO -0.02 0.18 -0.43 0.71 0.00 0.00 0.00 178.15 178.60 3kft h THR 87 N 0.92 1.27 -0.22 -0.27 1.35 -0.48 -2.51 112.91 112.96 3kft h THR 87 Ca 0.25 -1.60 0.06 0.00 -0.55 0.00 0.00 66.41 64.56 3kft h THR 87 Cb -0.07 1.44 -0.06 0.00 -1.73 0.00 0.00 68.15 67.72 3kft h THR 87 CO -0.05 0.53 -0.20 0.00 -0.25 0.00 0.00 175.52 175.55 3kft h ALA 88 N 0.76 -0.07 -0.59 6.62 0.00 -0.66 -1.01 119.26 124.32 3kft h ALA 88 Ca 0.05 0.08 0.12 0.00 0.00 0.00 0.00 54.91 55.16 3kft h ALA 88 Cb 1.02 0.42 -0.10 0.00 0.00 0.00 0.00 17.79 19.14 3kft h ALA 88 CO 0.10 -0.63 0.01 0.78 0.00 0.00 0.00 179.25 179.52 3kft h GLY 89 N -0.21 0.63 1.20 0.00 0.00 -1.05 0.21 103.07 103.85 3kft h GLY 89 Ca 0.13 0.07 -0.02 0.00 0.00 0.00 0.00 47.33 47.51 3kft h GLY 89 CO -0.34 -0.18 0.40 -2.08 0.00 0.00 0.00 176.54 174.33 3kft h VAL 90 N 0.13 1.23 -0.14 4.60 2.07 -0.99 -2.43 116.25 120.71 3kft h VAL 90 Ca 0.31 -0.58 -0.16 0.00 0.82 0.00 0.00 66.70 67.08 3kft h VAL 90 Cb 0.49 0.23 -0.01 0.00 -1.52 0.00 0.00 31.29 30.48 3kft h VAL 90 CO -0.49 0.26 -0.60 0.45 0.02 0.00 0.00 177.57 177.21 3kft h HIS 91 N 1.05 0.61 -0.71 1.57 3.86 0.20 0.26 115.15 121.99 3kft h HIS 91 Ca 0.26 -0.23 0.03 0.00 -1.16 0.00 0.00 60.37 59.27 3kft h HIS 91 Cb 0.05 -0.11 -0.04 0.00 1.06 0.00 0.00 27.41 28.37 3kft h HIS 91 CO 0.01 0.95 0.47 0.00 0.86 0.00 0.00 177.93 180.22 3kft h ALA 92 N 1.00 1.57 -0.04 2.45 0.00 -0.36 -0.39 119.26 123.49 3kft h ALA 92 Ca -0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3kft h ALA 92 Cb 1.14 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.68 3kft h ALA 92 CO 0.11 0.37 0.00 0.39 0.00 0.00 0.00 179.25 180.12 3kft n GLU 93 N -4.45 1.10 -2.80 0.00 -0.58 -0.88 -4.88 120.64 108.16 3kft n GLU 93 Ca 0.09 -0.14 -0.22 0.00 -0.42 0.00 0.00 57.16 56.47 3kft n GLU 93 Cb 0.10 -1.10 0.02 0.00 -0.57 0.00 0.00 31.44 29.89 3kft n GLU 93 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 3kft n ASP 94 N -0.33 -5.92 -4.79 1.62 2.03 -0.16 -4.85 116.55 104.15 3kft n ASP 94 Ca 0.01 -0.18 -0.22 0.00 0.52 0.00 0.00 54.79 54.92 3kft n ASP 94 Cb 0.07 -4.84 0.10 0.00 -0.72 0.00 0.00 41.12 35.73 3kft n ASP 94 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 3kft s GLY 95 N -2.45 1.73 -0.02 0.27 0.00 0.88 -4.96 107.32 102.76 3kft s GLY 95 Ca 0.19 -2.00 0.03 0.00 0.00 0.00 0.00 44.72 42.94 3kft s GLY 95 CO 0.24 -1.43 -0.11 0.50 0.00 0.00 0.00 173.10 172.30 3kft s ARG 96 N -4.99 1.03 -0.05 2.90 0.52 -1.26 -4.43 118.95 112.66 3kft s ARG 96 Ca 0.66 -0.39 0.00 0.00 -0.52 0.00 0.00 55.73 55.49 3kft s ARG 96 Cb -0.05 -0.97 0.02 0.00 0.52 0.00 0.00 34.95 34.48 3kft s ARG 96 CO 0.43 0.19 -0.03 -1.50 0.02 0.00 0.00 175.30 174.40 3kft s ILE 97 N -0.04 0.52 0.03 1.52 2.07 -1.26 -0.73 121.20 123.31 3kft s ILE 97 Ca 0.00 -0.07 0.00 0.00 -1.41 0.00 0.00 60.65 59.18 3kft s ILE 97 Cb -0.07 -0.57 -0.04 0.00 0.13 0.00 0.00 42.46 41.91 3kft s ILE 97 CO 0.00 0.24 0.12 0.00 -1.91 0.00 0.00 174.94 173.39 3kft s ALA 98 N 1.19 3.70 -0.20 1.50 0.00 0.91 -1.07 121.76 127.80 3kft s ALA 98 Ca -0.07 -0.89 -0.11 0.00 0.00 0.00 0.00 51.96 50.89 3kft s ALA 98 Cb -0.14 -1.62 -0.05 0.00 0.00 0.00 0.00 23.12 21.31 3kft s ALA 98 CO -0.02 0.74 0.18 0.54 0.00 0.00 0.00 175.76 177.20 3kft s VAL 99 N -1.32 5.37 -0.17 0.00 0.11 -0.75 -1.22 120.40 122.42 3kft s VAL 99 Ca 0.27 0.27 -0.23 0.00 -2.93 0.00 0.00 61.98 59.37 3kft s VAL 99 Cb -0.12 -3.52 -0.02 0.00 -1.53 0.00 0.00 36.38 31.19 3kft s VAL 99 CO 0.19 0.41 0.71 -1.58 -3.33 0.00 0.00 175.10 171.50 3kft s GLN 100 N 0.54 4.27 -0.12 1.54 0.74 -1.26 -0.01 119.66 125.36 3kft s GLN 100 Ca 0.10 0.79 -0.02 0.00 0.05 0.00 0.00 55.36 56.27 3kft s GLN 100 Cb -0.12 -3.56 -0.03 0.00 1.10 0.00 0.00 33.01 30.40 3kft s GLN 100 CO 0.01 -0.23 -0.03 -0.51 -0.55 0.00 0.00 175.29 173.97 3kft s LEU 101 N 1.86 3.35 0.16 3.68 1.43 0.62 -0.95 118.68 128.82 3kft s LEU 101 Ca 0.33 -0.02 0.02 0.00 -1.03 0.00 0.00 54.13 53.43 3kft s LEU 101 Cb -0.16 -1.78 -0.05 0.00 0.03 0.00 0.00 46.19 44.23 3kft s LEU 101 CO 0.12 0.27 -0.02 -1.66 0.23 0.00 0.00 176.35 175.29 3kft s TRP 102 N -0.22 1.18 -0.12 0.29 1.48 -0.85 -0.42 118.94 120.28 3kft s TRP 102 Ca 0.04 -0.97 0.03 0.00 -1.06 0.00 0.00 56.10 54.14 3kft s TRP 102 Cb -0.13 -0.67 0.00 0.00 -1.16 0.00 0.00 33.47 31.52 3kft s TRP 102 CO 0.02 -0.16 -0.22 -1.58 -4.06 0.00 0.00 176.95 170.95 3kft s HIS 103 N -3.61 2.63 -0.97 1.66 2.46 -1.26 -1.84 115.29 114.36 3kft s HIS 103 Ca 0.21 -1.12 0.25 0.00 0.47 0.00 0.00 55.06 54.87 3kft s HIS 103 Cb 0.06 -1.77 1.06 0.00 -0.13 0.00 0.00 32.58 31.79 3kft s HIS 103 CO 0.02 -0.48 1.81 0.25 -2.47 0.00 0.00 174.74 173.87 3kft n THR 104 N 3.76 0.29 0.00 0.89 -2.24 -0.68 -1.23 114.28 115.07 3kft n THR 104 Ca -0.19 0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.63 3kft n THR 104 Cb 0.52 -0.64 0.00 0.00 -2.10 0.00 0.00 70.33 68.12 3kft n THR 104 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kft n GLY 105 N 1.10 3.06 0.14 3.38 0.00 -1.26 -1.58 105.19 110.03 3kft n GLY 105 Ca 0.06 -0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.20 3kft n GLY 105 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3kft n ARG 106 N 14.00 0.20 -2.64 1.61 1.85 -1.01 -3.99 116.66 126.68 3kft n ARG 106 Ca 0.00 0.45 -0.43 0.00 -1.00 0.00 0.00 57.85 56.87 3kft n ARG 106 Cb 0.00 -1.90 0.00 0.00 -1.05 0.00 0.00 32.46 29.51 3kft n ARG 106 CO 0.00 0.00 0.00 -0.89 -0.01 0.00 0.00 177.63 176.73 3kft n ILE 107 N -2.29 4.04 -3.49 8.89 5.41 -0.61 -4.58 119.36 126.73 3kft n ILE 107 Ca 0.02 -4.26 -0.04 0.00 1.00 0.00 0.00 62.75 59.46 3kft n ILE 107 Cb 0.21 -2.41 0.02 0.00 -0.71 0.00 0.00 39.64 36.75 3kft n ILE 107 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 176.55 176.31 3kft n SER 108 N 7.08 -1.24 -3.87 4.38 2.88 -1.26 -4.43 113.62 117.16 3kft n SER 108 Ca 0.45 -1.83 -0.13 0.00 -1.33 0.00 0.00 58.87 56.02 3kft n SER 108 Cb 0.44 2.06 -0.14 0.00 -0.75 0.00 0.00 64.21 65.82 3kft n SER 108 CO 0.00 0.00 0.00 -2.28 -1.23 0.00 0.00 175.04 171.53 3kft s HIS 109 N -4.93 0.10 0.36 0.66 2.46 -1.26 -2.20 115.29 110.49 3kft s HIS 109 Ca 0.10 0.00 0.13 0.00 0.47 0.00 0.00 55.06 55.76 3kft s HIS 109 Cb -0.03 -0.11 0.96 0.00 -0.13 0.00 0.00 32.58 33.28 3kft s HIS 109 CO 0.06 -0.02 1.78 0.66 -2.47 0.00 0.00 174.74 174.75 3kft h SER 110 N 6.36 0.57 0.23 9.88 4.64 -1.88 -1.37 113.55 131.98 3kft h SER 110 Ca -0.29 0.09 -0.01 0.00 -0.47 0.00 0.00 61.79 61.10 3kft h SER 110 Cb 1.19 -0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 63.27 3kft h SER 110 CO 0.50 0.16 -0.06 0.77 -0.87 0.00 0.00 176.83 177.34 3kft h SER 111 N 0.53 0.00 -0.38 4.97 4.64 -1.85 0.35 113.55 121.82 3kft h SER 111 Ca 0.57 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.89 3kft h SER 111 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 3kft h SER 111 CO -0.32 0.06 0.00 2.30 -0.87 0.00 0.00 176.83 178.00 3kft n ILE 112 N -3.59 1.86 -3.57 0.95 -6.64 -0.52 -4.86 119.36 102.98 3kft n ILE 112 Ca -0.02 -1.46 -0.32 0.00 -1.77 0.00 0.00 62.75 59.18 3kft n ILE 112 Cb 0.16 0.04 -0.05 0.00 -1.44 0.00 0.00 39.64 38.35 3kft n ILE 112 CO 0.00 0.00 0.00 -1.10 -1.77 0.00 0.00 176.55 173.68 3kft s GLN 113 N -2.10 3.70 -0.17 6.28 -1.52 0.11 -4.92 119.66 121.05 3kft s GLN 113 Ca 0.39 0.07 -0.42 0.00 -1.95 0.00 0.00 55.36 53.46 3kft s GLN 113 Cb 0.28 -2.82 -0.19 0.00 -0.22 0.00 0.00 33.01 30.06 3kft s GLN 113 CO 0.14 0.44 1.33 -2.30 -0.25 0.00 0.00 175.29 174.65 3kft n PRO 114 N 0.18 0.24 -1.13 2.91 -0.02 -1.26 -0.91 135.00 135.01 3kft n PRO 114 Ca -0.03 0.09 -0.04 0.00 -2.02 0.00 0.00 63.50 61.50 3kft n PRO 114 Cb 0.52 -1.62 -0.02 0.00 -0.02 0.00 0.00 33.50 32.36 3kft n PRO 114 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kft n GLY 115 N 2.65 0.62 2.56 -1.23 0.00 -1.26 -2.53 105.19 106.01 3kft n GLY 115 Ca 0.24 -0.19 -0.20 0.00 0.00 0.00 0.00 46.02 45.87 3kft n GLY 115 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kft n GLY 116 N -1.08 1.68 3.77 -0.02 0.00 -0.09 -4.96 105.19 104.49 3kft n GLY 116 Ca -0.04 -0.05 -0.31 0.00 0.00 0.00 0.00 46.02 45.61 3kft n GLY 116 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3kft s GLN 117 N -3.83 2.37 0.34 1.61 -0.21 -1.05 -4.69 119.66 114.20 3kft s GLN 117 Ca 0.00 1.22 -0.28 0.00 0.02 0.00 0.00 55.36 56.31 3kft s GLN 117 Cb 0.00 -1.91 -0.12 0.00 1.00 0.00 0.00 33.01 31.98 3kft s GLN 117 CO 0.00 -1.56 1.32 0.00 -2.12 0.00 0.00 175.29 172.92 3kft n ALA 118 N -3.29 1.41 -1.49 6.09 0.00 -1.26 -4.27 120.51 117.70 3kft n ALA 118 Ca 0.09 0.36 -0.29 0.00 0.00 0.00 0.00 53.44 53.60 3kft n ALA 118 Cb 0.53 -2.27 0.19 0.00 0.00 0.00 0.00 19.45 17.89 3kft n ALA 118 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3kft s PRO 119 N -1.83 0.17 0.30 0.00 0.04 -1.26 -4.62 135.00 127.80 3kft s PRO 119 Ca 0.56 -0.03 0.09 0.00 0.04 0.00 0.00 61.00 61.66 3kft s PRO 119 Cb -0.56 -1.76 -0.04 0.00 0.04 0.00 0.00 34.50 32.18 3kft s PRO 119 CO 0.62 -2.79 0.05 0.14 0.04 0.00 0.00 177.00 175.06 3kft s VAL 120 N -3.36 3.26 0.18 -0.36 -7.23 -1.26 -0.28 120.40 111.35 3kft s VAL 120 Ca 0.69 -1.84 -0.06 0.00 -1.81 0.00 0.00 61.98 58.97 3kft s VAL 120 Cb -0.10 -2.90 0.02 0.00 0.56 0.00 0.00 36.38 33.97 3kft s VAL 120 CO 0.54 -0.29 0.34 -0.24 -0.31 0.00 0.00 175.10 175.13 3kft n SER 121 N -0.99 -0.97 -0.11 4.85 2.88 -0.17 -2.40 113.62 116.72 3kft n SER 121 Ca -0.05 -1.75 -0.07 0.00 -1.33 0.00 0.00 58.87 55.67 3kft n SER 121 Cb 0.60 1.64 0.09 0.00 -0.75 0.00 0.00 64.21 65.80 3kft n SER 121 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3kft h ALA 122 N 1.95 0.92 -2.70 -1.46 0.00 -1.85 0.26 119.26 116.38 3kft h ALA 122 Ca -0.15 -0.34 -0.37 0.00 0.00 0.00 0.00 54.91 54.05 3kft h ALA 122 Cb 0.56 -0.17 -0.14 0.00 0.00 0.00 0.00 17.79 18.04 3kft h ALA 122 CO 0.19 0.62 -0.55 -1.12 0.00 0.00 0.00 179.25 178.39 3kft s SER 123 N -6.70 1.04 -1.17 0.00 0.01 -1.25 -4.26 113.70 101.36 3kft s SER 123 Ca -0.10 -1.58 -0.10 0.00 1.31 0.00 0.00 55.95 55.48 3kft s SER 123 Cb 0.13 0.46 0.23 0.00 0.21 0.00 0.00 66.02 67.06 3kft s SER 123 CO 0.83 -0.95 1.42 0.00 0.41 0.00 0.00 173.24 174.96 3kft n ALA 124 N -0.47 4.50 -3.62 1.44 0.00 -1.26 -4.14 120.51 116.95 3kft n ALA 124 Ca 0.04 -4.50 -0.14 0.00 0.00 0.00 0.00 53.44 48.84 3kft n ALA 124 Cb 0.64 -2.72 -0.16 0.00 0.00 0.00 0.00 19.45 17.22 3kft n ALA 124 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3kft s LEU 125 N -0.47 1.19 0.29 0.00 1.43 -1.26 -4.88 118.68 114.98 3kft s LEU 125 Ca 0.36 0.06 -0.29 0.00 -1.03 0.00 0.00 54.13 53.23 3kft s LEU 125 Cb -0.02 -0.02 -0.10 0.00 0.03 0.00 0.00 46.19 46.08 3kft s LEU 125 CO -0.00 -0.11 1.43 0.21 0.23 0.00 0.00 176.35 178.11 3kft s ASN 126 N 0.91 6.60 0.62 2.29 3.84 -1.26 -4.46 114.94 123.48 3kft s ASN 126 Ca -0.08 2.76 0.36 0.00 0.21 0.00 0.00 52.86 56.11 3kft s ASN 126 Cb -0.11 -2.64 2.05 0.00 -0.55 0.00 0.00 41.25 40.01 3kft s ASN 126 CO -0.03 -0.71 2.29 0.00 -2.79 0.00 0.00 177.10 175.86 3kft h ALA 127 N 4.29 1.34 -6.15 1.71 0.00 -1.84 -3.46 119.26 115.16 3kft h ALA 127 Ca -0.48 -0.00 -0.45 0.00 0.00 0.00 0.00 54.91 53.99 3kft h ALA 127 Cb 1.22 0.00 0.02 0.00 0.00 0.00 0.00 17.79 19.04 3kft h ALA 127 CO 0.73 -0.03 -0.75 0.09 0.00 0.00 0.00 179.25 179.29 3kft n ASN 128 N -3.53 -4.63 -0.67 0.00 3.02 -1.26 -4.80 115.26 103.40 3kft n ASN 128 Ca -0.03 -0.72 0.00 0.00 -0.03 0.00 0.00 54.58 53.80 3kft n ASN 128 Cb 0.10 -4.22 0.00 0.00 -0.61 0.00 0.00 39.78 35.05 3kft n ASN 128 CO 0.00 0.00 0.00 1.07 -2.62 0.00 0.00 177.26 175.71 3kft n THR 129 N -4.70 0.00 -4.44 3.41 5.66 -1.26 -4.95 114.28 108.00 3kft n THR 129 Ca -0.02 0.00 -0.24 0.00 -3.05 0.00 0.00 64.05 60.74 3kft n THR 129 Cb 0.56 0.00 -0.11 0.00 -1.55 0.00 0.00 70.33 69.23 3kft n THR 129 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 175.07 171.89 3kft s ARG 130 N -1.00 1.58 0.46 1.09 0.52 -1.26 -2.08 118.95 118.24 3kft s ARG 130 Ca 0.00 -1.67 0.03 0.00 -0.52 0.00 0.00 55.73 53.57 3kft s ARG 130 Cb 0.00 -1.69 -0.03 0.00 0.52 0.00 0.00 34.95 33.74 3kft s ARG 130 CO 0.00 0.33 0.03 -0.08 0.02 0.00 0.00 175.30 175.60 3kft s THR 131 N -2.32 1.27 -0.23 0.02 -1.32 -0.43 -4.91 115.64 107.73 3kft s THR 131 Ca 0.26 -2.00 -0.05 0.00 -1.21 0.00 0.00 61.69 58.69 3kft s THR 131 Cb -0.05 -2.44 -0.01 0.00 -1.51 0.00 0.00 72.50 68.48 3kft s THR 131 CO 0.12 0.00 -0.01 -0.55 -2.21 0.00 0.00 174.62 171.97 3kft s SER 132 N -3.76 4.50 0.30 8.08 0.15 -1.26 -1.28 113.70 120.43 3kft s SER 132 Ca 0.18 -0.35 0.02 0.00 0.70 0.00 0.00 55.95 56.50 3kft s SER 132 Cb 0.04 -1.78 0.02 0.00 -1.71 0.00 0.00 66.02 62.59 3kft s SER 132 CO 0.09 -0.02 0.17 0.18 1.20 0.00 0.00 173.24 174.86 3kft n LEU 133 N 4.83 0.00 -4.27 3.45 4.32 0.89 -1.64 117.00 124.58 3kft n LEU 133 Ca -0.18 -1.66 -0.30 0.00 -0.02 0.00 0.00 56.01 53.86 3kft n LEU 133 Cb 0.51 0.04 -0.16 0.00 -1.62 0.00 0.00 43.42 42.19 3kft n LEU 133 CO 0.29 -0.39 -0.55 -0.13 -1.22 0.00 0.00 177.39 175.39 3kft s ARG 134 N -3.20 2.01 0.34 3.23 0.52 -1.26 0.25 118.95 120.85 3kft s ARG 134 Ca 0.13 -0.86 -0.05 0.00 -0.52 0.00 0.00 55.73 54.43 3kft s ARG 134 Cb -0.01 -1.91 0.08 0.00 0.52 0.00 0.00 34.95 33.62 3kft s ARG 134 CO 0.08 0.50 0.47 -0.40 0.02 0.00 0.00 175.30 175.96 3kft n ASP 135 N 2.55 0.16 -0.09 0.23 5.68 0.27 -4.83 116.55 120.51 3kft n ASP 135 Ca -0.16 -1.24 0.05 0.00 -0.50 0.00 0.00 54.79 52.94 3kft n ASP 135 Cb 0.52 -0.34 0.39 0.00 -1.14 0.00 0.00 41.12 40.54 3kft n ASP 135 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 3kft h GLU 136 N 0.00 0.64 -0.24 0.11 -0.00 -2.01 0.23 114.58 113.31 3kft h GLU 136 Ca -0.15 -0.04 0.00 0.00 -0.00 0.00 0.00 59.36 59.17 3kft h GLU 136 Cb 0.45 -0.14 0.00 0.00 -0.00 0.00 0.00 28.75 29.05 3kft h GLU 136 CO 0.12 0.43 0.00 0.09 -0.00 0.00 0.00 179.01 179.64 3kft n ASN 137 N -4.47 1.39 -0.69 3.06 5.03 -1.26 -4.89 115.26 113.44 3kft n ASN 137 Ca 0.07 -1.94 -0.09 0.00 0.87 0.00 0.00 54.58 53.49 3kft n ASN 137 Cb 0.14 -0.16 -0.04 0.00 -1.02 0.00 0.00 39.78 38.70 3kft n ASN 137 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3kft n GLY 138 N 0.94 1.02 3.85 7.41 0.00 0.80 -5.01 105.19 114.20 3kft n GLY 138 Ca 0.10 -0.30 -0.32 0.00 0.00 0.00 0.00 46.02 45.50 3kft n GLY 138 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3kft s ASN 139 N -2.61 6.75 0.28 1.61 0.02 -1.26 -4.74 114.94 114.99 3kft s ASN 139 Ca 0.00 1.33 -0.29 0.00 -1.02 0.00 0.00 52.86 52.88 3kft s ASN 139 Cb 0.00 -2.40 -0.10 0.00 0.02 0.00 0.00 41.25 38.78 3kft s ASN 139 CO 0.00 -0.28 1.17 0.00 0.02 0.00 0.00 177.10 178.01 3kft s ALA 140 N -2.11 3.44 0.01 0.60 0.00 -1.26 -0.57 121.76 121.87 3kft s ALA 140 Ca 0.55 1.00 0.01 0.00 0.00 0.00 0.00 51.96 53.52 3kft s ALA 140 Cb -0.10 -3.38 -0.01 0.00 0.00 0.00 0.00 23.12 19.63 3kft s ALA 140 CO 0.20 -0.31 -0.04 0.96 0.00 0.00 0.00 175.76 176.57 3kft s ILE 141 N -0.98 0.28 0.09 0.00 -4.36 0.14 -4.86 121.20 111.51 3kft s ILE 141 Ca 0.47 -0.48 -0.26 0.00 -0.26 0.00 0.00 60.65 60.12 3kft s ILE 141 Cb -0.34 -0.30 -0.06 0.00 1.25 0.00 0.00 42.46 43.00 3kft s ILE 141 CO 0.43 -0.14 0.81 -0.13 0.24 0.00 0.00 174.94 176.15 3kft s ARG 142 N -0.66 4.56 0.01 0.37 1.81 -1.26 -0.08 118.95 123.70 3kft s ARG 142 Ca -0.04 1.17 0.01 0.00 -1.72 0.00 0.00 55.73 55.15 3kft s ARG 142 Cb -0.05 -3.34 -0.01 0.00 -0.45 0.00 0.00 34.95 31.11 3kft s ARG 142 CO -0.00 0.35 -0.05 0.08 -0.68 0.00 0.00 175.30 175.00 3kft s VAL 143 N -0.37 0.36 0.37 3.52 1.01 -0.40 -4.93 120.40 119.96 3kft s VAL 143 Ca 0.39 -0.49 -0.28 0.00 0.00 0.00 0.00 61.98 61.60 3kft s VAL 143 Cb -0.22 -0.37 -0.11 0.00 0.00 0.00 0.00 36.38 35.69 3kft s VAL 143 CO 0.25 -0.10 1.51 -1.81 0.00 0.00 0.00 175.10 174.96 3kft s ASP 144 N -0.63 6.33 0.43 3.32 1.01 -1.26 -1.31 116.67 124.55 3kft s ASP 144 Ca -0.03 3.06 -0.21 0.00 0.71 0.00 0.00 52.55 56.08 3kft s ASP 144 Cb -0.05 -2.67 -0.11 0.00 1.01 0.00 0.00 42.92 41.11 3kft s ASP 144 CO -0.00 -0.90 0.95 0.42 0.21 0.00 0.00 175.17 175.85 3kft s THR 145 N -0.97 4.40 0.37 -1.27 -4.23 -0.88 -4.84 115.64 108.22 3kft s THR 145 Ca 0.54 1.46 -0.25 0.00 -1.18 0.00 0.00 61.69 62.27 3kft s THR 145 Cb -0.47 -3.61 -0.09 0.00 1.34 0.00 0.00 72.50 69.67 3kft s THR 145 CO 0.62 -0.33 1.04 -0.89 -0.54 0.00 0.00 174.62 174.51 3kft s THR 146 N -2.20 3.76 0.18 3.99 2.01 -0.93 -4.87 115.64 117.57 3kft s THR 146 Ca 0.62 1.41 -0.31 0.00 0.31 0.00 0.00 61.69 63.72 3kft s THR 146 Cb -0.09 -3.76 -0.10 0.00 0.01 0.00 0.00 72.50 68.56 3kft s THR 146 CO 0.14 0.08 1.48 -0.89 -0.69 0.00 0.00 174.62 174.74 3kft s THR 147 N -1.58 2.81 0.44 -0.82 2.01 -1.26 -4.69 115.64 112.54 3kft s THR 147 Ca 0.55 0.61 -0.06 0.00 0.31 0.00 0.00 61.69 63.10 3kft s THR 147 Cb -0.23 -3.39 -0.04 0.00 0.01 0.00 0.00 72.50 68.85 3kft s THR 147 CO 0.29 0.06 0.75 -2.16 -0.69 0.00 0.00 174.62 172.87 3kft s PRO 148 N 0.64 3.60 0.07 4.92 0.04 -1.26 -4.42 135.00 138.58 3kft s PRO 148 Ca 0.65 0.22 -0.28 0.00 0.04 0.00 0.00 61.00 61.63 3kft s PRO 148 Cb -0.41 -2.41 -0.05 0.00 0.04 0.00 0.00 34.50 31.66 3kft s PRO 148 CO 0.35 -0.12 0.87 0.50 0.04 0.00 0.00 177.00 178.65 3kft s ARG 149 N -4.42 4.59 0.12 4.56 3.52 0.62 -4.39 118.95 123.54 3kft s ARG 149 Ca 0.48 1.27 -0.31 0.00 -0.13 0.00 0.00 55.73 57.04 3kft s ARG 149 Cb -0.10 -3.38 -0.07 0.00 -1.56 0.00 0.00 34.95 29.83 3kft s ARG 149 CO 0.40 0.21 1.28 0.00 -0.81 0.00 0.00 175.30 176.38 3kft s ALA 150 N 0.12 3.49 0.27 6.12 0.00 -1.26 -0.99 121.76 129.50 3kft s ALA 150 Ca 0.44 1.00 -0.30 0.00 0.00 0.00 0.00 51.96 53.09 3kft s ALA 150 Cb -0.22 -3.48 -0.11 0.00 0.00 0.00 0.00 23.12 19.32 3kft s ALA 150 CO 0.26 -0.50 1.51 -0.51 0.00 0.00 0.00 175.76 176.53 3kft s LEU 151 N 0.68 4.37 0.40 0.00 1.43 0.08 -4.85 118.68 120.79 3kft s LEU 151 Ca 0.59 2.81 -0.26 0.00 -1.03 0.00 0.00 54.13 56.24 3kft s LEU 151 Cb -0.34 -3.63 -0.09 0.00 0.03 0.00 0.00 46.19 42.17 3kft s LEU 151 CO 0.32 -0.80 1.35 -1.61 0.23 0.00 0.00 176.35 175.84 3kft s GLU 152 N -0.47 3.97 0.29 1.70 0.41 -1.26 -4.93 118.70 118.41 3kft s GLU 152 Ca 0.61 2.26 0.02 0.00 -0.41 0.00 0.00 54.97 57.45 3kft s GLU 152 Cb -0.45 -2.80 0.70 0.00 -1.78 0.00 0.00 34.13 29.80 3kft s GLU 152 CO 0.46 -0.53 1.65 1.25 -0.49 0.00 0.00 175.26 177.60 3kft h LEU 153 N 2.72 0.02 0.00 1.80 5.85 -2.01 0.63 115.31 124.32 3kft h LEU 153 Ca -0.50 0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.41 3kft h LEU 153 Cb 1.25 0.25 0.00 0.00 0.37 0.00 0.00 40.66 42.53 3kft h LEU 153 CO 0.63 -0.14 0.00 -0.90 -0.34 0.00 0.00 178.44 177.69 3kft n ASP 154 N -5.21 0.00 -0.02 1.25 5.75 -1.26 -2.52 116.55 114.54 3kft n ASP 154 Ca 0.21 -1.21 0.12 0.00 -0.01 0.00 0.00 54.79 53.89 3kft n ASP 154 Cb 0.67 0.00 0.17 0.00 -1.03 0.00 0.00 41.12 40.93 3kft n ASP 154 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 3kft n GLU 155 N -0.89 0.05 -0.04 0.11 1.02 0.21 -4.50 120.64 116.60 3kft n GLU 155 Ca 0.18 -0.03 -0.12 0.00 -0.02 0.00 0.00 57.16 57.17 3kft n GLU 155 Cb 0.08 -1.50 -0.07 0.00 -0.02 0.00 0.00 31.44 29.93 3kft n GLU 155 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 3kft h ILE 156 N 0.08 1.31 -0.98 -3.67 1.08 -1.58 -2.12 117.51 111.63 3kft h ILE 156 Ca 0.00 -1.07 0.23 0.00 -0.39 0.00 0.00 64.86 63.63 3kft h ILE 156 Cb 0.50 1.78 -0.08 0.00 -3.07 0.00 0.00 36.82 35.95 3kft h ILE 156 CO 0.00 0.31 0.63 -0.65 -0.69 0.00 0.00 178.15 177.75 3kft h PRO 157 N -0.11 0.44 -0.97 2.37 0.11 -1.80 0.29 132.00 132.33 3kft h PRO 157 Ca 0.03 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.11 3kft h PRO 157 Cb 0.51 -0.10 -0.05 0.00 0.11 0.00 0.00 31.00 31.47 3kft h PRO 157 CO 0.02 0.29 0.62 0.78 -0.21 0.00 0.00 178.00 179.50 3kft h GLY 158 N 0.46 1.39 0.81 -0.55 0.00 -1.66 -0.36 103.07 103.16 3kft h GLY 158 Ca 0.54 -0.55 -0.00 0.00 0.00 0.00 0.00 47.33 47.31 3kft h GLY 158 CO -0.25 0.54 0.00 -2.22 0.00 0.00 0.00 176.54 174.61 3kft h ILE 159 N 1.33 1.16 -0.49 2.60 1.08 -0.22 -1.32 117.51 121.64 3kft h ILE 159 Ca 0.35 -0.47 0.05 0.00 -0.39 0.00 0.00 64.86 64.41 3kft h ILE 159 Cb -0.11 1.45 -0.05 0.00 -3.07 0.00 0.00 36.82 35.04 3kft h ILE 159 CO -0.07 0.12 0.22 0.58 -0.69 0.00 0.00 178.15 178.31 3kft h VAL 160 N -0.17 0.90 -0.66 1.67 2.07 -1.14 -1.08 116.25 117.84 3kft h VAL 160 Ca 0.00 -0.15 0.03 0.00 0.82 0.00 0.00 66.70 67.41 3kft h VAL 160 Cb 0.20 0.44 -0.04 0.00 -1.52 0.00 0.00 31.29 30.37 3kft h VAL 160 CO -0.00 0.08 0.44 -1.13 0.02 0.00 0.00 177.57 176.97 3kft h ASN 161 N 0.43 0.70 -0.46 0.57 -1.24 -0.96 -1.63 115.58 112.98 3kft h ASN 161 Ca 0.23 -0.01 -0.02 0.00 0.71 0.00 0.00 56.30 57.20 3kft h ASN 161 Cb 0.18 -0.16 -0.02 0.00 0.73 0.00 0.00 38.32 39.05 3kft h ASN 161 CO -0.19 0.49 0.21 0.44 -1.29 0.00 0.00 177.43 177.09 3kft h ASP 162 N 0.81 0.62 -0.75 1.15 3.32 -0.01 -0.49 116.42 121.07 3kft h ASP 162 Ca 0.26 -0.14 0.02 0.00 0.02 0.00 0.00 57.03 57.18 3kft h ASP 162 Cb 0.03 -0.16 -0.04 0.00 0.22 0.00 0.00 39.33 39.38 3kft h ASP 162 CO -0.07 0.59 0.49 -0.26 -1.72 0.00 0.00 179.24 178.27 3kft h PHE 163 N 0.61 0.92 0.29 4.55 0.04 -0.97 0.11 116.94 122.49 3kft h PHE 163 Ca 0.16 0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.94 3kft h PHE 163 Cb 0.14 -0.31 0.00 0.00 2.20 0.00 0.00 35.95 37.99 3kft h PHE 163 CO -0.01 0.56 -0.14 -0.09 -0.60 0.00 0.00 178.31 178.04 3kft h ARG 164 N 0.98 -0.38 -0.82 1.51 2.43 -0.81 -1.06 114.38 116.23 3kft h ARG 164 Ca 0.28 0.03 0.01 0.00 -0.81 0.00 0.00 59.98 59.48 3kft h ARG 164 Cb -0.07 0.09 -0.04 0.00 -0.42 0.00 0.00 29.97 29.52 3kft h ARG 164 CO -0.08 -0.23 0.54 0.37 -1.51 0.00 0.00 179.97 179.06 3kft h GLN 165 N -0.43 1.08 -0.24 0.20 5.75 -1.02 -1.02 115.11 119.44 3kft h GLN 165 Ca -0.04 -0.07 -0.02 0.00 -0.15 0.00 0.00 58.65 58.37 3kft h GLN 165 Cb 0.32 -0.24 -0.01 0.00 1.07 0.00 0.00 27.48 28.62 3kft h GLN 165 CO 0.07 0.72 0.05 0.00 -2.65 0.00 0.00 178.83 177.01 3kft h ALA 166 N 1.30 1.64 -0.15 3.38 0.00 -0.84 0.37 119.26 124.95 3kft h ALA 166 Ca 0.30 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 55.03 3kft h ALA 166 Cb -0.12 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.56 3kft h ALA 166 CO -0.06 0.28 -0.18 0.28 0.00 0.00 0.00 179.25 179.56 3kft h VAL 167 N 0.34 1.35 -0.71 0.00 2.07 -0.07 0.63 116.25 119.85 3kft h VAL 167 Ca 0.08 -1.37 0.09 0.00 0.82 0.00 0.00 66.70 66.32 3kft h VAL 167 Cb 0.16 1.90 -0.07 0.00 -1.52 0.00 0.00 31.29 31.76 3kft h VAL 167 CO -0.00 0.41 0.35 0.00 0.02 0.00 0.00 177.57 178.35 3kft h ALA 168 N 0.60 0.98 -0.44 1.67 0.00 -0.90 -0.69 119.26 120.48 3kft h ALA 168 Ca 0.02 0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 3kft h ALA 168 Cb 0.73 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 3kft h ALA 168 CO 0.04 -0.05 0.05 -0.91 0.00 0.00 0.00 179.25 178.38 3kft h ASN 169 N 0.60 0.65 -0.15 0.00 2.35 -0.65 0.18 115.58 118.56 3kft h ASN 169 Ca 0.35 -0.13 0.01 0.00 -0.55 0.00 0.00 56.30 55.99 3kft h ASN 169 Cb 0.38 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.56 3kft h ASN 169 CO -0.27 0.69 0.05 0.00 -1.65 0.00 0.00 177.43 176.25 3kft h ALA 170 N 1.40 0.17 -0.51 -0.83 0.00 0.54 0.28 119.26 120.29 3kft h ALA 170 Ca 0.14 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.98 3kft h ALA 170 Cb 0.33 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 3kft h ALA 170 CO 0.01 -0.39 -0.03 -0.09 0.00 0.00 0.00 179.25 178.75 3kft h ARG 171 N 0.13 0.89 -0.29 0.00 2.43 -0.74 -2.27 114.38 114.53 3kft h ARG 171 Ca 0.06 -0.27 0.01 0.00 -0.81 0.00 0.00 59.98 58.98 3kft h ARG 171 Cb 0.03 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.48 3kft h ARG 171 CO -0.06 0.90 0.16 1.49 -1.51 0.00 0.00 179.97 180.95 3kft h GLU 172 N 0.82 0.32 0.00 0.20 4.81 -0.52 -3.07 114.58 117.14 3kft h GLU 172 Ca 0.15 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.36 3kft h GLU 172 Cb 0.53 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.84 3kft h GLU 172 CO 0.03 0.21 0.00 0.00 -0.73 0.00 0.00 179.01 178.52 3kft n ALA 173 N -2.21 1.68 0.00 2.92 0.00 0.93 -4.91 120.51 118.91 3kft n ALA 173 Ca -0.01 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.38 3kft n ALA 173 Cb 0.05 -1.23 0.00 0.00 0.00 0.00 0.00 19.45 18.27 3kft n ALA 173 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kft n GLY 174 N -0.02 2.56 3.53 0.00 0.00 -0.94 -3.57 105.19 106.74 3kft n GLY 174 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 3kft n GLY 174 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3kft n PHE 175 N -1.22 0.28 0.09 1.61 3.72 -1.14 -4.92 117.46 115.88 3kft n PHE 175 Ca 0.00 0.55 -0.00 0.00 -0.05 0.00 0.00 57.45 57.95 3kft n PHE 175 Cb 0.00 -2.10 -0.04 0.00 -0.94 0.00 0.00 39.48 36.41 3kft n PHE 175 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 3kft h ASP 176 N 1.00 0.00 -5.31 4.37 3.32 -1.45 -3.43 116.42 114.91 3kft h ASP 176 Ca -0.43 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 56.51 3kft h ASP 176 Cb 1.37 0.00 -0.11 0.00 0.22 0.00 0.00 39.33 40.81 3kft h ASP 176 CO 0.53 0.64 -0.27 -0.76 -1.72 0.00 0.00 179.24 177.66 3kft s LEU 177 N -6.30 0.65 -0.05 1.55 1.43 -1.24 -4.87 118.68 109.85 3kft s LEU 177 Ca 0.01 -0.99 0.03 0.00 -1.03 0.00 0.00 54.13 52.15 3kft s LEU 177 Cb 0.08 1.35 0.01 0.00 0.03 0.00 0.00 46.19 47.66 3kft s LEU 177 CO 0.78 -1.01 -0.12 -0.69 0.23 0.00 0.00 176.35 175.53 3kft s VAL 178 N -4.03 1.10 -0.26 -1.59 1.01 0.62 -1.81 120.40 115.44 3kft s VAL 178 Ca 0.24 -0.50 -0.06 0.00 0.00 0.00 0.00 61.98 61.66 3kft s VAL 178 Cb 0.02 -0.99 -0.01 0.00 0.00 0.00 0.00 36.38 35.40 3kft s VAL 178 CO 0.07 0.34 0.05 -0.70 0.00 0.00 0.00 175.10 174.85 3kft s GLU 179 N 0.39 3.39 -0.07 2.72 2.12 0.98 0.68 118.70 128.92 3kft s GLU 179 Ca -0.09 -0.64 -0.30 0.00 0.36 0.00 0.00 54.97 54.30 3kft s GLU 179 Cb -0.13 -3.27 -0.03 0.00 0.26 0.00 0.00 34.13 30.97 3kft s GLU 179 CO 0.02 -0.28 1.17 -0.51 -0.54 0.00 0.00 175.26 175.12 3kft s LEU 180 N 1.54 4.27 -0.92 2.70 1.43 0.12 -0.28 118.68 127.54 3kft s LEU 180 Ca 0.05 1.75 -0.22 0.00 -1.03 0.00 0.00 54.13 54.68 3kft s LEU 180 Cb -0.16 -3.56 0.08 0.00 0.03 0.00 0.00 46.19 42.58 3kft s LEU 180 CO 0.02 -0.57 1.27 -2.28 0.23 0.00 0.00 176.35 175.02 3kft s HIS 181 N 2.24 2.71 -0.30 0.29 2.46 0.45 -0.81 115.29 122.33 3kft s HIS 181 Ca 0.54 -0.89 0.09 0.00 0.47 0.00 0.00 55.06 55.27 3kft s HIS 181 Cb -0.23 -4.51 0.53 0.00 -0.13 0.00 0.00 32.58 28.24 3kft s HIS 181 CO 0.21 -1.78 1.52 0.45 -2.47 0.00 0.00 174.74 172.67 3kft n SER 182 N 8.05 2.83 -3.34 9.88 2.88 -0.21 -4.53 113.62 129.18 3kft n SER 182 Ca 0.22 -3.66 -0.20 0.00 -1.33 0.00 0.00 58.87 53.91 3kft n SER 182 Cb 0.49 -0.65 -0.05 0.00 -0.75 0.00 0.00 64.21 63.25 3kft n SER 182 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3kft n ALA 183 N -1.04 0.43 -1.95 -1.46 0.00 -0.95 -4.23 120.51 111.31 3kft n ALA 183 Ca 0.35 -1.58 -0.17 0.00 0.00 0.00 0.00 53.44 52.04 3kft n ALA 183 Cb 1.10 1.05 -0.04 0.00 0.00 0.00 0.00 19.45 21.56 3kft n ALA 183 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3kft n HIS 184 N -0.71 -0.69 -1.20 0.00 8.25 -1.26 -2.64 115.22 116.97 3kft n HIS 184 Ca -0.05 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.34 3kft n HIS 184 Cb 0.46 -3.20 -0.03 0.00 1.12 0.00 0.00 29.99 28.35 3kft n HIS 184 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3kft n GLY 185 N -0.61 0.89 0.06 -1.41 0.00 -1.26 -4.68 105.19 98.18 3kft n GLY 185 Ca -0.18 -0.58 -0.00 0.00 0.00 0.00 0.00 46.02 45.26 3kft n GLY 185 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3kft n TYR 186 N -2.75 -3.77 -0.16 1.61 4.01 -1.08 -4.51 117.16 110.52 3kft n TYR 186 Ca -0.07 -0.02 -0.03 0.00 -0.16 0.00 0.00 57.90 57.63 3kft n TYR 186 Cb 0.25 -0.01 0.06 0.00 -0.31 0.00 0.00 39.34 39.33 3kft n TYR 186 CO 0.00 0.00 0.00 1.25 -0.46 0.00 0.00 176.86 177.65 3kft h LEU 187 N 0.00 0.05 -0.73 7.72 5.85 -1.29 0.54 115.31 127.45 3kft h LEU 187 Ca -0.01 0.08 -0.08 0.00 0.84 0.00 0.00 57.88 58.72 3kft h LEU 187 Cb 0.02 0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.12 3kft h LEU 187 CO 0.00 0.05 0.10 -0.07 -0.34 0.00 0.00 178.44 178.19 3kft h LEU 188 N 0.26 1.03 -0.36 2.25 3.38 -1.80 -2.34 115.31 117.73 3kft h LEU 188 Ca 0.25 -0.24 -0.19 0.00 0.09 0.00 0.00 57.88 57.78 3kft h LEU 188 Cb 0.31 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 3kft h LEU 188 CO -0.30 1.02 -0.79 -0.74 0.09 0.00 0.00 178.44 177.73 3kft h HIS 189 N 1.01 0.49 -0.69 1.13 2.76 -1.29 -1.51 115.15 117.04 3kft h HIS 189 Ca 0.20 -0.23 0.07 0.00 -2.20 0.00 0.00 60.37 58.21 3kft h HIS 189 Cb 0.44 -0.07 -0.04 0.00 1.55 0.00 0.00 27.41 29.28 3kft h HIS 189 CO 0.03 1.00 0.46 1.96 -1.30 0.00 0.00 177.93 180.08 3kft h GLN 190 N 0.23 0.65 -0.23 5.26 4.20 0.38 0.15 115.11 125.76 3kft h GLN 190 Ca -0.04 -0.04 -0.17 0.00 0.06 0.00 0.00 58.65 58.46 3kft h GLN 190 Cb 1.37 -0.15 -0.00 0.00 0.30 0.00 0.00 27.48 29.01 3kft h GLN 190 CO 0.13 0.43 -0.56 0.74 -0.67 0.00 0.00 178.83 178.90 3kft h PHE 191 N 0.67 0.88 0.00 2.96 -1.00 -1.02 -3.22 116.94 116.22 3kft h PHE 191 Ca 0.30 -0.32 -0.07 0.00 2.81 0.00 0.00 57.97 60.69 3kft h PHE 191 Cb 0.33 -0.16 -0.01 0.00 3.61 0.00 0.00 35.95 39.71 3kft h PHE 191 CO -0.00 1.09 -0.35 -0.07 -1.61 0.00 0.00 178.31 177.37 3kft h LEU 192 N 0.53 0.00 -9.20 1.54 3.38 0.02 -3.43 115.31 108.15 3kft h LEU 192 Ca 0.01 0.00 -0.59 0.00 0.09 0.00 0.00 57.88 57.39 3kft h LEU 192 Cb 1.13 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.79 3kft h LEU 192 CO 0.11 0.35 -0.14 -0.55 0.09 0.00 0.00 178.44 178.31 3kft s SER 193 N -6.58 6.56 0.25 -0.43 0.15 -0.48 -4.81 113.70 108.35 3kft s SER 193 Ca -0.01 0.66 -0.03 0.00 0.70 0.00 0.00 55.95 57.27 3kft s SER 193 Cb 0.13 -2.27 0.49 0.00 -1.71 0.00 0.00 66.02 62.66 3kft s SER 193 CO 0.69 -0.07 1.74 -0.65 1.20 0.00 0.00 173.24 176.14 3kft h PRO 194 N 7.15 0.47 -0.98 5.44 0.11 -1.85 0.23 132.00 142.57 3kft h PRO 194 Ca -0.37 -0.03 0.19 0.00 0.11 0.00 0.00 66.00 65.90 3kft h PRO 194 Cb 1.16 -0.11 -0.09 0.00 0.11 0.00 0.00 31.00 32.07 3kft h PRO 194 CO 0.74 0.31 0.61 1.03 -0.21 0.00 0.00 178.00 180.48 3kft h SER 195 N 0.48 0.68 0.00 -2.05 0.87 -1.93 -2.58 113.55 109.03 3kft h SER 195 Ca 0.43 0.08 0.00 0.00 -1.23 0.00 0.00 61.79 61.07 3kft h SER 195 Cb 0.65 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.57 3kft h SER 195 CO -0.40 0.25 -0.79 -1.54 -0.53 0.00 0.00 176.83 173.83 3kft n SER 196 N -4.68 0.89 -4.25 6.23 3.41 -0.76 -4.88 113.62 109.57 3kft n SER 196 Ca 0.22 -0.63 -0.39 0.00 -0.26 0.00 0.00 58.87 57.81 3kft n SER 196 Cb 0.61 1.12 -0.11 0.00 -0.26 0.00 0.00 64.21 65.57 3kft n SER 196 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 3kft s ASN 197 N -2.43 5.49 -0.25 4.04 3.84 0.74 -3.90 114.94 122.47 3kft s ASN 197 Ca 0.03 -1.44 0.10 0.00 0.21 0.00 0.00 52.86 51.75 3kft s ASN 197 Cb 0.09 -1.93 0.45 0.00 -0.55 0.00 0.00 41.25 39.31 3kft s ASN 197 CO 0.51 -0.47 1.29 0.00 -2.79 0.00 0.00 177.10 175.64 3kft n GLN 198 N 4.85 1.89 -1.65 0.43 6.02 -1.26 -4.60 117.38 123.06 3kft n GLN 198 Ca -0.10 -3.38 -0.31 0.00 -0.01 0.00 0.00 57.00 53.19 3kft n GLN 198 Cb 0.43 -1.75 0.05 0.00 1.02 0.00 0.00 30.24 29.99 3kft n GLN 198 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 3kft s ARG 199 N -3.29 2.95 0.00 -1.09 0.52 -1.26 -4.95 118.95 111.82 3kft s ARG 199 Ca 0.41 1.05 0.00 0.00 -0.52 0.00 0.00 55.73 56.68 3kft s ARG 199 Cb 0.39 -1.99 0.00 0.00 0.52 0.00 0.00 34.95 33.87 3kft s ARG 199 CO -0.04 -1.10 0.41 0.25 0.02 0.00 0.00 175.30 174.84 3kft n THR 200 N -2.90 0.00 -0.97 0.02 -2.24 -1.26 -3.67 114.28 103.26 3kft n THR 200 Ca 0.08 -0.50 -0.02 0.00 -2.27 0.00 0.00 64.05 61.34 3kft n THR 200 Cb 0.53 1.01 0.01 0.00 -2.10 0.00 0.00 70.33 69.78 3kft n THR 200 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3kft n ASP 201 N -0.20 -0.17 0.00 3.42 5.68 -1.26 -4.87 116.55 119.15 3kft n ASP 201 Ca 0.00 -0.95 0.07 0.00 -0.50 0.00 0.00 54.79 53.41 3kft n ASP 201 Cb 0.01 -0.06 0.40 0.00 -1.14 0.00 0.00 41.12 40.33 3kft n ASP 201 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3kft n GLN 202 N -1.26 0.28 -0.19 0.11 0.00 -1.26 -1.81 117.38 113.25 3kft n GLN 202 Ca 0.01 0.11 0.12 0.00 0.00 0.00 0.00 57.00 57.24 3kft n GLN 202 Cb 0.04 -1.50 0.22 0.00 0.00 0.00 0.00 30.24 28.99 3kft n GLN 202 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.06 177.72 3kft n TYR 203 N -1.21 0.49 -4.33 2.61 4.01 -1.26 -4.56 117.16 112.91 3kft n TYR 203 Ca 0.08 -0.24 -0.17 0.00 -0.16 0.00 0.00 57.90 57.41 3kft n TYR 203 Cb 0.10 0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 39.03 3kft n TYR 203 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 3kft s GLY 204 N -1.51 1.53 0.00 2.72 0.00 -0.75 -4.17 107.32 105.14 3kft s GLY 204 Ca 0.39 -1.75 0.00 0.00 0.00 0.00 0.00 44.72 43.36 3kft s GLY 204 CO 0.32 -1.68 0.00 0.61 0.00 0.00 0.00 173.10 172.35 3kft n GLY 205 N -0.41 1.13 3.42 0.20 0.00 -1.24 -4.66 105.19 103.63 3kft n GLY 205 Ca -0.06 -0.92 -0.32 0.00 0.00 0.00 0.00 46.02 44.72 3kft n GLY 205 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3kft n SER 206 N 1.89 -1.79 -0.21 1.61 3.41 -1.26 -4.66 113.62 112.61 3kft n SER 206 Ca 0.00 0.21 -0.07 0.00 -0.26 0.00 0.00 58.87 58.75 3kft n SER 206 Cb 0.00 -1.19 0.03 0.00 -0.26 0.00 0.00 64.21 62.78 3kft n SER 206 CO 0.00 0.00 0.00 1.62 -0.16 0.00 0.00 175.04 176.50 3kft h VAL 207 N -1.80 1.21 -0.97 -3.33 3.04 -1.97 -0.39 116.25 112.04 3kft h VAL 207 Ca -0.47 -0.58 0.10 0.00 -1.01 0.00 0.00 66.70 64.74 3kft h VAL 207 Cb 1.30 0.51 -0.07 0.00 -2.01 0.00 0.00 31.29 31.02 3kft h VAL 207 CO 0.37 0.24 0.62 -0.33 -1.01 0.00 0.00 177.57 177.46 3kft h GLU 208 N 0.79 0.98 -0.15 4.17 3.07 -1.98 -0.19 114.58 121.27 3kft h GLU 208 Ca 0.20 -0.06 -0.14 0.00 -0.50 0.00 0.00 59.36 58.87 3kft h GLU 208 Cb 0.11 -0.22 -0.01 0.00 -0.84 0.00 0.00 28.75 27.79 3kft h GLU 208 CO -0.03 0.65 -0.49 -0.91 -1.40 0.00 0.00 179.01 176.83 3kft h ASN 209 N 1.01 0.44 0.44 1.42 4.21 -1.60 -2.56 115.58 118.94 3kft h ASN 209 Ca 0.46 -0.22 -0.19 0.00 1.21 0.00 0.00 56.30 57.55 3kft h ASN 209 Cb 0.38 -0.13 -0.01 0.00 -1.12 0.00 0.00 38.32 37.45 3kft h ASN 209 CO -0.21 0.86 -0.83 0.03 -1.29 0.00 0.00 177.43 175.99 3kft h ARG 210 N 0.32 0.29 -0.00 0.81 3.08 -0.11 -3.12 114.38 115.66 3kft h ARG 210 Ca 0.02 -0.28 0.00 0.00 0.07 0.00 0.00 59.98 59.78 3kft h ARG 210 Cb 0.98 0.07 0.00 0.00 0.08 0.00 0.00 29.97 31.10 3kft h ARG 210 CO 0.09 0.97 -0.06 0.00 -1.07 0.00 0.00 179.97 179.89 3kft n ALA 211 N -2.49 2.57 -0.12 0.04 0.00 -0.18 -3.84 120.51 116.50 3kft n ALA 211 Ca -0.04 -0.17 -0.05 0.00 0.00 0.00 0.00 53.44 53.18 3kft n ALA 211 Cb 0.77 -1.43 0.03 0.00 0.00 0.00 0.00 19.45 18.82 3kft n ALA 211 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 3kft h ARG 212 N 0.11 0.21 -0.05 0.00 2.43 -1.39 -1.40 114.38 114.29 3kft h ARG 212 Ca 0.00 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.15 3kft h ARG 212 Cb 0.38 -0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 29.88 3kft h ARG 212 CO 0.00 0.14 0.02 1.25 -1.51 0.00 0.00 179.97 179.87 3kft h LEU 213 N 0.21 0.07 -0.93 3.80 5.85 -1.80 -0.33 115.31 122.18 3kft h LEU 213 Ca 0.19 -0.16 -0.00 0.00 0.84 0.00 0.00 57.88 58.75 3kft h LEU 213 Cb 0.21 -0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.18 3kft h LEU 213 CO -0.24 0.21 0.58 1.62 -0.34 0.00 0.00 178.44 180.27 3kft h VAL 214 N -0.07 1.25 -0.01 1.05 3.04 -1.79 -1.28 116.25 118.44 3kft h VAL 214 Ca 0.02 -0.53 -0.11 0.00 -1.01 0.00 0.00 66.70 65.07 3kft h VAL 214 Cb 0.16 -0.08 -0.01 0.00 -2.01 0.00 0.00 31.29 29.35 3kft h VAL 214 CO -0.00 0.26 -0.51 -0.07 -1.01 0.00 0.00 177.57 176.24 3kft h LEU 215 N 1.28 0.04 -0.79 3.16 3.38 -0.83 -1.16 115.31 120.39 3kft h LEU 215 Ca 0.34 -0.02 -0.13 0.00 0.09 0.00 0.00 57.88 58.16 3kft h LEU 215 Cb -0.08 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 3kft h LEU 215 CO -0.07 0.54 -0.49 -0.33 0.09 0.00 0.00 178.44 178.18 3kft h GLU 216 N 0.03 0.27 -0.56 1.13 5.08 -0.68 -2.08 114.58 117.77 3kft h GLU 216 Ca -0.00 -0.15 -0.11 0.00 -1.00 0.00 0.00 59.36 58.10 3kft h GLU 216 Cb 0.91 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.15 3kft h GLU 216 CO 0.07 0.71 -0.07 0.28 -1.00 0.00 0.00 179.01 179.00 3kft h VAL 217 N 0.22 1.27 -0.46 3.13 2.07 -0.83 -1.49 116.25 120.15 3kft h VAL 217 Ca 0.01 -1.22 -0.10 0.00 0.82 0.00 0.00 66.70 66.21 3kft h VAL 217 Cb 0.95 0.92 -0.01 0.00 -1.52 0.00 0.00 31.29 31.63 3kft h VAL 217 CO 0.08 0.44 -0.08 0.58 0.02 0.00 0.00 177.57 178.60 3kft h VAL 218 N 0.91 1.27 -0.45 2.57 2.07 -1.09 -1.61 116.25 119.92 3kft h VAL 218 Ca 0.15 -1.19 -0.13 0.00 0.82 0.00 0.00 66.70 66.34 3kft h VAL 218 Cb 0.63 1.10 -0.01 0.00 -1.52 0.00 0.00 31.29 31.49 3kft h VAL 218 CO 0.04 0.41 -0.25 0.44 0.02 0.00 0.00 177.57 178.24 3kft h ASP 219 N 0.71 0.98 -0.74 0.57 3.45 -1.35 -1.03 116.42 119.00 3kft h ASP 219 Ca 0.12 -0.38 -0.00 0.00 0.43 0.00 0.00 57.03 57.20 3kft h ASP 219 Cb 0.62 -0.27 -0.04 0.00 -0.56 0.00 0.00 39.33 39.09 3kft h ASP 219 CO 0.04 1.16 0.46 0.00 -1.57 0.00 0.00 179.24 179.34 3kft h ALA 220 N 0.90 0.94 0.00 3.45 0.00 -1.09 -1.77 119.26 121.69 3kft h ALA 220 Ca 0.10 -0.08 -0.11 0.00 0.00 0.00 0.00 54.91 54.82 3kft h ALA 220 Cb 0.82 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 3kft h ALA 220 CO 0.07 0.40 -0.74 -0.39 0.00 0.00 0.00 179.25 178.59 3kft h VAL 221 N 1.01 0.73 -0.37 0.00 -1.51 -1.25 -0.73 116.25 114.13 3kft h VAL 221 Ca 0.27 -2.10 -0.11 0.00 -1.23 0.00 0.00 66.70 63.53 3kft h VAL 221 Cb -0.06 2.29 -0.01 0.00 -2.13 0.00 0.00 31.29 31.37 3kft h VAL 221 CO -0.05 0.41 -0.23 0.00 -1.23 0.00 0.00 177.57 176.47 3kft h ASN 223 N 0.63 0.66 -0.43 0.00 -0.73 -1.32 -3.20 115.58 111.19 3kft h ASN 223 Ca 0.09 -0.25 -0.08 0.00 1.87 0.00 0.00 56.30 57.93 3kft h ASN 223 Cb 0.72 -0.17 -0.02 0.00 0.27 0.00 0.00 38.32 39.12 3kft h ASN 223 CO 0.06 0.74 -0.01 -0.08 -0.37 0.00 0.00 177.43 177.76 3kft h GLU 224 N 0.55 0.84 0.00 6.67 4.57 -1.03 -3.44 114.58 122.74 3kft h GLU 224 Ca 0.13 -0.24 0.00 0.00 -1.18 0.00 0.00 59.36 58.07 3kft h GLU 224 Cb 0.35 -0.09 0.00 0.00 -0.16 0.00 0.00 28.75 28.85 3kft h GLU 224 CO 0.01 0.85 0.00 1.87 -1.18 0.00 0.00 179.01 180.56 3kft n TRP 225 N -4.20 0.00 -3.54 0.92 -0.00 -0.89 -4.93 117.44 104.81 3kft n TRP 225 Ca 0.02 0.00 -0.17 0.00 -0.00 0.00 0.00 57.50 57.35 3kft n TRP 225 Cb 0.32 0.00 -0.06 0.00 -0.00 0.00 0.00 31.31 31.57 3kft n TRP 225 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 177.69 178.14 3kft s SER 226 N 1.00 -0.67 0.43 5.87 0.15 -1.21 -4.95 113.70 114.32 3kft s SER 226 Ca 0.00 0.81 0.16 0.00 0.70 0.00 0.00 55.95 57.61 3kft s SER 226 Cb 0.00 0.66 1.05 0.00 -1.71 0.00 0.00 66.02 66.02 3kft s SER 226 CO 0.00 -0.56 1.92 0.00 1.20 0.00 0.00 173.24 175.80 3kft h ALA 227 N 3.25 2.11 0.00 5.45 0.00 -1.86 0.02 119.26 128.23 3kft h ALA 227 Ca -0.27 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.64 3kft h ALA 227 Cb 1.14 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.87 3kft h ALA 227 CO 0.34 -0.31 0.00 -0.25 0.00 0.00 0.00 179.25 179.04 3kft n ASP 228 N -4.48 0.18 -0.64 0.00 8.00 -1.26 -1.51 116.55 116.84 3kft n ASP 228 Ca 0.14 0.56 0.08 0.00 0.71 0.00 0.00 54.79 56.28 3kft n ASP 228 Cb 0.52 -0.59 0.07 0.00 -0.02 0.00 0.00 41.12 41.10 3kft n ASP 228 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3kft n ARG 229 N -1.71 1.21 -4.35 -1.24 5.12 -0.01 -1.05 116.66 114.62 3kft n ARG 229 Ca 0.02 -1.45 -0.34 0.00 -1.93 0.00 0.00 57.85 54.15 3kft n ARG 229 Cb 0.12 -1.30 -0.13 0.00 -1.16 0.00 0.00 32.46 29.98 3kft n ARG 229 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 3kft s ILE 230 N -1.33 3.50 0.40 0.55 -1.09 -0.82 -0.28 121.20 122.14 3kft s ILE 230 Ca 0.19 -0.48 0.08 0.00 -2.23 0.00 0.00 60.65 58.20 3kft s ILE 230 Cb 0.13 -2.54 -0.07 0.00 -1.58 0.00 0.00 42.46 38.41 3kft s ILE 230 CO 0.20 0.48 0.05 -0.83 -1.23 0.00 0.00 174.94 173.61 3kft s GLY 231 N 0.72 2.38 -0.05 6.18 0.00 0.21 -1.44 107.32 115.32 3kft s GLY 231 Ca -0.03 -2.19 -0.04 0.00 0.00 0.00 0.00 44.72 42.46 3kft s GLY 231 CO 0.02 -2.02 0.12 -1.50 0.00 0.00 0.00 173.10 169.73 3kft s ILE 232 N -2.65 -0.01 -0.25 0.90 2.07 -1.09 -0.70 121.20 119.46 3kft s ILE 232 Ca 0.37 0.05 -0.08 0.00 -1.41 0.00 0.00 60.65 59.58 3kft s ILE 232 Cb 0.06 -0.19 -0.03 0.00 0.13 0.00 0.00 42.46 42.43 3kft s ILE 232 CO 0.19 0.02 0.10 -0.60 -1.91 0.00 0.00 174.94 172.75 3kft s ARG 233 N 0.38 3.75 0.12 3.50 3.52 0.01 -1.18 118.95 129.06 3kft s ARG 233 Ca -0.03 -0.43 0.09 0.00 -0.13 0.00 0.00 55.73 55.23 3kft s ARG 233 Cb -0.04 -3.41 -0.04 0.00 -1.56 0.00 0.00 34.95 29.90 3kft s ARG 233 CO -0.02 -0.16 -0.16 0.14 -0.81 0.00 0.00 175.30 174.30 3kft s VAL 234 N 1.58 2.99 -0.55 7.11 -7.23 -0.56 -1.05 120.40 122.69 3kft s VAL 234 Ca 0.06 -1.47 0.07 0.00 -1.81 0.00 0.00 61.98 58.83 3kft s VAL 234 Cb -0.15 -2.39 0.24 0.00 0.56 0.00 0.00 36.38 34.64 3kft s VAL 234 CO 0.05 0.08 0.64 -1.54 -0.31 0.00 0.00 175.10 174.03 3kft n SER 235 N 0.71 2.40 0.02 4.85 3.41 -1.26 -0.89 113.62 122.85 3kft n SER 235 Ca -0.15 -3.15 0.12 0.00 -0.26 0.00 0.00 58.87 55.44 3kft n SER 235 Cb 0.53 -0.66 0.30 0.00 -0.26 0.00 0.00 64.21 64.12 3kft n SER 235 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 3kft n PRO 236 N 1.17 0.07 -3.92 4.33 -0.04 -1.26 -4.68 135.00 130.67 3kft n PRO 236 Ca 0.26 0.02 -0.35 0.00 -0.04 0.00 0.00 63.50 63.40 3kft n PRO 236 Cb 0.45 -1.55 -0.14 0.00 -0.04 0.00 0.00 33.50 32.22 3kft n PRO 236 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3kft s ILE 237 N -3.04 3.12 0.00 0.52 -1.09 -1.26 -4.73 121.20 114.72 3kft s ILE 237 Ca 0.10 -0.94 0.00 0.00 -2.23 0.00 0.00 60.65 57.59 3kft s ILE 237 Cb 0.17 -2.58 0.00 0.00 -1.58 0.00 0.00 42.46 38.46 3kft s ILE 237 CO 0.67 0.18 0.00 0.61 -1.23 0.00 0.00 174.94 175.17 3kft n GLY 238 N 4.71 -0.26 3.18 6.18 0.00 -1.26 -4.78 105.19 112.96 3kft n GLY 238 Ca -0.16 -2.05 -0.28 0.00 0.00 0.00 0.00 46.02 43.54 3kft n GLY 238 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kft s THR 239 N 0.00 1.61 -0.07 2.61 2.01 -1.26 -2.87 115.64 117.67 3kft s THR 239 Ca 0.00 -0.83 -0.01 0.00 0.31 0.00 0.00 61.69 61.16 3kft s THR 239 Cb 0.00 -1.37 0.03 0.00 0.01 0.00 0.00 72.50 71.17 3kft s THR 239 CO 0.00 0.46 -0.00 -0.36 -0.69 0.00 0.00 174.62 174.03 3kft s PHE 240 N -0.10 0.67 -1.62 4.92 0.08 -0.50 -4.84 117.98 116.60 3kft s PHE 240 Ca -0.02 -0.17 -0.07 0.00 0.12 0.00 0.00 56.93 56.79 3kft s PHE 240 Cb -0.11 -0.79 0.07 0.00 -0.57 0.00 0.00 43.02 41.62 3kft s PHE 240 CO 0.02 -0.32 0.26 1.04 -0.10 0.00 0.00 175.22 176.13 3kft n GLN 241 N 5.04 -1.44 -1.09 0.44 6.02 -1.26 -0.67 117.38 124.41 3kft n GLN 241 Ca -0.09 0.17 -0.03 0.00 -0.01 0.00 0.00 57.00 57.04 3kft n GLN 241 Cb 0.50 -4.11 -0.01 0.00 1.02 0.00 0.00 30.24 27.64 3kft n GLN 241 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 3kft n ASN 242 N -2.79 -4.25 -4.24 1.08 3.02 -1.26 -4.88 115.26 101.94 3kft n ASN 242 Ca -0.19 0.08 -0.37 0.00 -0.03 0.00 0.00 54.58 54.06 3kft n ASN 242 Cb 0.63 -2.03 -0.12 0.00 -0.61 0.00 0.00 39.78 37.65 3kft n ASN 242 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3kft s VAL 243 N -1.82 3.63 0.74 2.41 1.01 0.16 -5.00 120.40 121.52 3kft s VAL 243 Ca 0.00 -1.29 -0.06 0.00 0.00 0.00 0.00 61.98 60.62 3kft s VAL 243 Cb 0.00 -3.12 0.16 0.00 0.00 0.00 0.00 36.38 33.42 3kft s VAL 243 CO 0.00 -0.24 1.01 -0.90 0.00 0.00 0.00 175.10 174.96 3kft n ASP 244 N 4.77 0.72 -1.18 3.32 5.68 -1.26 -1.41 116.55 127.17 3kft n ASP 244 Ca -0.11 -1.75 0.08 0.00 -0.50 0.00 0.00 54.79 52.50 3kft n ASP 244 Cb 0.44 -0.71 0.29 0.00 -1.14 0.00 0.00 41.12 40.00 3kft n ASP 244 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 3kft n ASN 245 N -3.28 4.31 0.00 -1.12 3.02 -1.14 -4.69 115.26 112.37 3kft n ASN 245 Ca 0.15 -2.80 0.00 0.00 -0.03 0.00 0.00 54.58 51.90 3kft n ASN 245 Cb 0.52 -0.54 0.00 0.00 -0.61 0.00 0.00 39.78 39.14 3kft n ASN 245 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3kft n GLY 246 N 0.09 -2.18 0.17 7.41 0.00 -1.26 -4.11 105.19 105.31 3kft n GLY 246 Ca 0.22 -1.49 0.12 0.00 0.00 0.00 0.00 46.02 44.87 3kft n GLY 246 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3kft h PRO 247 N 0.00 0.00 -1.86 1.61 0.14 -2.03 -3.32 132.00 126.54 3kft h PRO 247 Ca 0.00 0.00 -0.55 0.00 0.14 0.00 0.00 66.00 65.59 3kft h PRO 247 Cb 0.00 0.00 -0.42 0.00 0.14 0.00 0.00 31.00 30.72 3kft h PRO 247 CO 0.00 0.00 -0.79 0.09 0.14 0.00 0.00 178.00 177.44 3kft n ASN 248 N -2.77 3.84 0.05 1.44 3.02 -1.26 -4.96 115.26 114.62 3kft n ASN 248 Ca 0.04 -3.53 0.04 0.00 -0.03 0.00 0.00 54.58 51.11 3kft n ASN 248 Cb 0.50 -0.53 0.45 0.00 -0.61 0.00 0.00 39.78 39.59 3kft n ASN 248 CO 0.00 0.00 0.00 1.05 -2.62 0.00 0.00 177.26 175.69 3kft h GLU 249 N 2.84 0.44 0.28 3.52 4.11 -1.71 -0.86 114.58 123.20 3kft h GLU 249 Ca 0.16 -0.03 -0.01 0.00 0.07 0.00 0.00 59.36 59.55 3kft h GLU 249 Cb 0.77 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.93 3kft h GLU 249 CO 0.76 0.32 -0.13 1.49 0.07 0.00 0.00 179.01 181.52 3kft h GLU 250 N 0.45 -0.36 -0.31 1.06 4.81 -1.91 -1.37 114.58 116.95 3kft h GLU 250 Ca 0.12 0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.36 3kft h GLU 250 Cb 0.00 0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.45 3kft h GLU 250 CO -0.02 -0.01 0.14 0.00 -0.73 0.00 0.00 179.01 178.39 3kft h ALA 251 N -0.34 1.68 0.00 2.92 0.00 -1.86 -1.27 119.26 120.39 3kft h ALA 251 Ca -0.04 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.73 3kft h ALA 251 Cb 0.51 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 3kft h ALA 251 CO 0.06 0.27 -0.31 -0.44 0.00 0.00 0.00 179.25 178.82 3kft h ASP 252 N 0.43 0.00 -0.03 0.00 3.32 -1.08 -1.05 116.42 118.00 3kft h ASP 252 Ca 0.11 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.14 3kft h ASP 252 Cb 0.05 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.60 3kft h ASP 252 CO -0.02 0.31 -0.06 0.00 -1.72 0.00 0.00 179.24 177.76 3kft h ALA 253 N 1.69 0.05 -0.40 3.45 0.00 -0.20 -2.73 119.26 121.12 3kft h ALA 253 Ca -0.00 -0.31 -0.04 0.00 0.00 0.00 0.00 54.91 54.56 3kft h ALA 253 Cb 0.89 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 3kft h ALA 253 CO 0.04 -0.12 0.10 -0.07 0.00 0.00 0.00 179.25 179.21 3kft h LEU 254 N -0.41 0.55 0.23 0.00 3.38 -1.01 0.18 115.31 118.23 3kft h LEU 254 Ca 0.00 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 57.89 3kft h LEU 254 Cb 0.63 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.21 3kft h LEU 254 CO 0.01 0.55 -0.40 0.22 0.09 0.00 0.00 178.44 178.92 3kft h TYR 255 N 0.58 -1.12 -0.49 1.13 3.20 -1.20 -1.00 116.97 118.06 3kft h TYR 255 Ca 0.14 0.02 0.03 0.00 3.14 0.00 0.00 58.73 62.06 3kft h TYR 255 Cb 0.22 0.46 -0.03 0.00 1.54 0.00 0.00 36.73 38.92 3kft h TYR 255 CO 0.01 -0.48 0.33 1.25 -1.64 0.00 0.00 178.16 177.62 3kft h LEU 256 N -0.67 0.47 -0.35 2.82 5.85 -1.14 -1.88 115.31 120.42 3kft h LEU 256 Ca -0.03 -0.01 -0.17 0.00 0.84 0.00 0.00 57.88 58.51 3kft h LEU 256 Cb 0.62 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 41.54 3kft h LEU 256 CO -0.14 0.33 -0.48 0.40 -0.34 0.00 0.00 178.44 178.21 3kft h ILE 257 N 0.55 1.27 -0.32 4.05 2.04 -0.76 -0.12 117.51 124.22 3kft h ILE 257 Ca 0.20 -1.66 0.01 0.00 1.00 0.00 0.00 64.86 64.41 3kft h ILE 257 Cb 0.11 1.52 -0.02 0.00 -0.74 0.00 0.00 36.82 37.69 3kft h ILE 257 CO -0.05 0.55 0.18 -0.33 0.00 0.00 0.00 178.15 178.50 3kft h GLU 258 N 0.71 0.36 -0.79 2.37 5.08 -0.66 -1.02 114.58 120.63 3kft h GLU 258 Ca 0.03 -0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.39 3kft h GLU 258 Cb 1.08 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 30.21 3kft h GLU 258 CO 0.11 0.24 0.52 0.93 -1.00 0.00 0.00 179.01 179.82 3kft h GLU 259 N 0.37 0.99 -0.22 2.33 4.39 -1.24 -2.85 114.58 118.35 3kft h GLU 259 Ca 0.13 -0.06 -0.13 0.00 0.34 0.00 0.00 59.36 59.64 3kft h GLU 259 Cb 0.00 -0.22 -0.01 0.00 -0.10 0.00 0.00 28.75 28.42 3kft h GLU 259 CO -0.06 0.66 -0.40 -0.07 -1.16 0.00 0.00 179.01 177.98 3kft h LEU 260 N 1.02 0.53 -0.93 1.33 3.38 -0.47 -2.69 115.31 117.48 3kft h LEU 260 Ca 0.30 -0.23 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 3kft h LEU 260 Cb -0.04 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.52 3kft h LEU 260 CO -0.08 0.87 0.49 0.00 0.09 0.00 0.00 178.44 179.81 3kft h ALA 261 N 1.16 1.18 -0.67 1.53 0.00 -1.02 -2.45 119.26 119.00 3kft h ALA 261 Ca 0.04 -0.13 0.10 0.00 0.00 0.00 0.00 54.91 54.91 3kft h ALA 261 Cb 0.88 -0.36 -0.04 0.00 0.00 0.00 0.00 17.79 18.27 3kft h ALA 261 CO 0.07 0.66 0.44 0.87 0.00 0.00 0.00 179.25 181.30 3kft h LYS 262 N 1.25 0.50 0.00 0.00 1.57 -1.25 0.82 116.57 119.46 3kft h LYS 262 Ca 0.31 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 59.06 3kft h LYS 262 Cb 0.03 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.22 3kft h LYS 262 CO -0.05 0.33 0.00 0.54 -0.57 0.00 0.00 179.45 179.70 3kft n ARG 263 N -4.48 0.57 -3.23 3.15 3.00 -0.92 -4.92 116.66 109.82 3kft n ARG 263 Ca 0.11 0.01 -0.23 0.00 -0.01 0.00 0.00 57.85 57.72 3kft n ARG 263 Cb 0.36 -1.50 0.02 0.00 0.00 0.00 0.00 32.46 31.33 3kft n ARG 263 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3kft n GLY 264 N 1.14 -0.51 3.67 -0.13 0.00 0.28 -4.84 105.19 104.80 3kft n GLY 264 Ca 0.16 0.12 -0.30 0.00 0.00 0.00 0.00 46.02 46.01 3kft n GLY 264 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3kft s ILE 265 N -3.07 2.46 0.12 -0.61 -4.36 -1.26 -4.57 121.20 109.91 3kft s ILE 265 Ca 0.37 0.15 -0.16 0.00 -0.26 0.00 0.00 60.65 60.75 3kft s ILE 265 Cb -0.18 -2.49 -0.02 0.00 1.25 0.00 0.00 42.46 41.01 3kft s ILE 265 CO 0.46 -0.20 1.64 0.00 0.24 0.00 0.00 174.94 177.08 3kft h ALA 266 N -1.79 0.48 -2.43 2.27 0.00 -0.15 -3.43 119.26 114.22 3kft h ALA 266 Ca -0.51 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.15 3kft h ALA 266 Cb 1.29 -0.14 -0.18 0.00 0.00 0.00 0.00 17.79 18.76 3kft h ALA 266 CO 0.52 0.13 -0.09 1.52 0.00 0.00 0.00 179.25 181.33 3kft s TYR 267 N -5.37 -0.32 -0.28 0.00 1.13 -1.23 -1.50 117.35 109.78 3kft s TYR 267 Ca -0.13 0.41 -0.04 0.00 -1.41 0.00 0.00 57.07 55.89 3kft s TYR 267 Cb 0.10 0.23 0.02 0.00 -1.10 0.00 0.00 41.96 41.20 3kft s TYR 267 CO 0.76 -0.53 0.02 -1.17 -2.51 0.00 0.00 175.55 172.11 3kft s LEU 268 N -1.68 3.60 -0.44 -3.49 2.96 0.70 -2.67 118.68 117.66 3kft s LEU 268 Ca -0.09 -0.82 -0.11 0.00 -0.22 0.00 0.00 54.13 52.89 3kft s LEU 268 Cb -0.02 -1.78 0.08 0.00 0.50 0.00 0.00 46.19 44.96 3kft s LEU 268 CO 0.02 -0.17 0.30 -2.28 -1.32 0.00 0.00 176.35 172.90 3kft s HIS 269 N 1.41 3.30 -0.30 5.38 5.65 -0.32 -1.01 115.29 129.40 3kft s HIS 269 Ca 0.01 -1.31 -0.19 0.00 0.25 0.00 0.00 55.06 53.82 3kft s HIS 269 Cb -0.17 -3.02 -0.02 0.00 -1.18 0.00 0.00 32.58 28.20 3kft s HIS 269 CO -0.01 -0.83 0.54 -1.64 -0.65 0.00 0.00 174.74 172.16 3kft s MET 270 N 1.50 3.90 -0.27 2.88 1.00 0.37 -1.50 119.30 127.18 3kft s MET 270 Ca 0.03 0.18 -0.16 0.00 0.00 0.00 0.00 55.69 55.74 3kft s MET 270 Cb -0.23 -3.72 -0.03 0.00 0.00 0.00 0.00 34.83 30.85 3kft s MET 270 CO 0.04 -0.49 0.42 0.45 0.00 0.00 0.00 175.02 175.43 3kft s SER 271 N 1.64 6.30 0.20 3.03 0.15 -0.07 -2.05 113.70 122.90 3kft s SER 271 Ca 0.21 0.31 0.06 0.00 0.70 0.00 0.00 55.95 57.23 3kft s SER 271 Cb -0.15 -2.23 -0.04 0.00 -1.71 0.00 0.00 66.02 61.89 3kft s SER 271 CO 0.11 -0.23 0.15 -1.61 1.20 0.00 0.00 173.24 172.86 3kft s GLU 272 N 2.15 2.87 0.00 5.44 2.02 0.15 -4.48 118.70 126.85 3kft s GLU 272 Ca 0.17 -0.96 0.00 0.00 0.02 0.00 0.00 54.97 54.19 3kft s GLU 272 Cb -0.16 -2.59 0.00 0.00 0.10 0.00 0.00 34.13 31.48 3kft s GLU 272 CO 0.10 0.45 0.00 0.25 0.02 0.00 0.00 175.26 176.08 3kft n THR 273 N -0.67 0.00 0.00 3.63 -2.24 -1.26 -4.24 114.28 109.50 3kft n THR 273 Ca -0.08 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.70 3kft n THR 273 Cb 0.56 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.79 3kft n THR 273 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kft n GLY 278 N 1.62 3.04 3.73 3.38 0.00 -1.26 -4.93 105.19 110.77 3kft n GLY 278 Ca 0.00 -1.21 -0.41 0.00 0.00 0.00 0.00 46.02 44.40 3kft n GLY 278 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kft s LYS 279 N -5.00 4.62 0.81 1.61 0.00 -1.26 -5.06 119.74 115.45 3kft s LYS 279 Ca 0.00 1.62 -0.11 0.00 0.00 0.00 0.00 55.97 57.48 3kft s LYS 279 Cb 0.00 -3.33 0.08 0.00 0.00 0.00 0.00 37.83 34.58 3kft s LYS 279 CO 0.00 0.09 1.09 -2.14 0.00 0.00 0.00 175.35 174.39 3kft s PRO 280 N -0.05 1.97 -0.06 1.78 0.02 -1.26 -4.98 135.00 132.42 3kft s PRO 280 Ca 0.49 1.02 -0.30 0.00 0.02 0.00 0.00 61.00 62.23 3kft s PRO 280 Cb -0.27 -1.88 -0.02 0.00 0.02 0.00 0.00 34.50 32.35 3kft s PRO 280 CO 0.32 -1.80 1.02 0.71 -0.33 0.00 0.00 177.00 176.93 3kft s TYR 281 N -2.94 3.53 0.43 6.54 1.51 -1.26 -5.02 117.35 120.15 3kft s TYR 281 Ca 0.62 1.58 -0.25 0.00 -1.01 0.00 0.00 57.07 58.01 3kft s TYR 281 Cb -0.17 -3.20 -0.08 0.00 -0.11 0.00 0.00 41.96 38.40 3kft s TYR 281 CO 0.56 -0.30 1.29 -1.54 -1.11 0.00 0.00 175.55 174.45 3kft s SER 282 N 1.10 6.15 0.25 2.29 1.04 -1.26 -4.88 113.70 118.38 3kft s SER 282 Ca 0.51 2.62 -0.03 0.00 0.48 0.00 0.00 55.95 59.52 3kft s SER 282 Cb -0.20 -2.63 0.41 0.00 0.10 0.00 0.00 66.02 63.69 3kft s SER 282 CO 0.22 -0.96 1.84 -0.33 0.98 0.00 0.00 173.24 174.99 3kft h GLU 283 N 2.42 0.91 -0.27 4.02 5.08 -1.98 -0.60 114.58 124.16 3kft h GLU 283 Ca -0.50 -0.05 0.03 0.00 -1.00 0.00 0.00 59.36 57.84 3kft h GLU 283 Cb 1.25 -0.21 -0.05 0.00 0.50 0.00 0.00 28.75 30.25 3kft h GLU 283 CO 0.61 0.60 -0.35 0.00 -1.00 0.00 0.00 179.01 178.87 3kft h ALA 284 N 1.45 -0.60 -0.49 3.43 0.00 -1.99 0.38 119.26 121.44 3kft h ALA 284 Ca 0.41 0.00 0.10 0.00 0.00 0.00 0.00 54.91 55.42 3kft h ALA 284 Cb 0.30 0.98 -0.10 0.00 0.00 0.00 0.00 17.79 18.97 3kft h ALA 284 CO -0.22 -0.77 -0.17 0.35 0.00 0.00 0.00 179.25 178.45 3kft h PHE 285 N -0.24 -0.39 -0.94 0.00 3.57 -1.86 -1.49 116.94 115.59 3kft h PHE 285 Ca 0.05 0.05 0.15 0.00 3.53 0.00 0.00 57.97 61.74 3kft h PHE 285 Cb 0.37 0.25 -0.09 0.00 2.79 0.00 0.00 35.95 39.27 3kft h PHE 285 CO -0.69 -0.26 0.55 0.00 -2.23 0.00 0.00 178.31 175.69 3kft h ARG 286 N -0.05 0.77 -0.14 1.11 3.08 0.19 -0.02 114.38 119.32 3kft h ARG 286 Ca 0.24 -0.05 -0.08 0.00 0.07 0.00 0.00 59.98 60.16 3kft h ARG 286 Cb 0.41 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.28 3kft h ARG 286 CO -0.53 0.51 -0.27 1.96 -1.07 0.00 0.00 179.97 180.57 3kft h GLN 287 N 0.79 0.25 -0.39 0.04 1.08 0.69 -2.17 115.11 115.40 3kft h GLN 287 Ca 0.50 -0.08 -0.11 0.00 -1.45 0.00 0.00 58.65 57.51 3kft h GLN 287 Cb 0.65 -0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 28.05 3kft h GLN 287 CO -0.33 0.50 -0.17 0.87 -0.95 0.00 0.00 178.83 178.75 3kft h LYS 288 N 0.22 0.81 0.42 1.46 1.57 -0.32 -1.76 116.57 118.98 3kft h LYS 288 Ca 0.03 -0.35 -0.01 0.00 -1.87 0.00 0.00 60.65 58.46 3kft h LYS 288 Cb 0.60 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.86 3kft h LYS 288 CO 0.04 0.98 -0.34 0.28 -0.57 0.00 0.00 179.45 179.84 3kft h VAL 289 N 0.62 0.31 -0.56 0.50 2.07 -1.06 -2.39 116.25 115.73 3kft h VAL 289 Ca 0.09 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.77 3kft h VAL 289 Cb 0.72 0.31 -0.02 0.00 -1.52 0.00 0.00 31.29 30.78 3kft h VAL 289 CO 0.05 0.00 0.45 -0.09 0.02 0.00 0.00 177.57 178.00 3kft h ARG 290 N -0.75 0.00 0.00 1.57 1.12 -1.34 -0.50 114.38 114.48 3kft h ARG 290 Ca -0.04 0.00 -0.15 0.00 -1.11 0.00 0.00 59.98 58.68 3kft h ARG 290 Cb 0.65 0.00 -0.02 0.00 -0.01 0.00 0.00 29.97 30.59 3kft h ARG 290 CO -0.01 0.00 -0.71 1.49 -3.11 0.00 0.00 179.97 177.62 3kft h GLU 291 N 0.00 0.00 0.00 0.20 4.81 -0.83 -3.35 114.58 115.41 3kft h GLU 291 Ca 0.27 0.00 -0.23 0.00 -0.13 0.00 0.00 59.36 59.26 3kft h GLU 291 Cb 1.16 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.49 3kft h GLU 291 CO -0.00 0.71 -2.08 0.54 -0.73 0.00 0.00 179.01 177.45 3kft n ARG 292 N -3.52 1.06 -4.53 1.92 1.74 -0.37 -4.90 116.66 108.06 3kft n ARG 292 Ca -0.00 -0.05 -0.34 0.00 -0.77 0.00 0.00 57.85 56.69 3kft n ARG 292 Cb 0.74 -1.44 -0.12 0.00 -1.02 0.00 0.00 32.46 30.63 3kft n ARG 292 CO 0.00 0.00 0.00 0.12 -1.52 0.00 0.00 177.63 176.23 3kft s PHE 293 N -2.63 2.97 -0.63 -1.55 5.36 -0.34 -4.68 117.98 116.49 3kft s PHE 293 Ca -0.08 -0.21 0.16 0.00 -0.96 0.00 0.00 56.93 55.84 3kft s PHE 293 Cb 0.07 -1.85 -0.19 0.00 -0.34 0.00 0.00 43.02 40.71 3kft s PHE 293 CO 0.71 0.09 0.62 0.72 -1.46 0.00 0.00 175.22 175.91 3kft n HIS 294 N 3.01 0.00 -0.52 10.12 8.25 -1.26 -4.67 115.22 130.15 3kft n HIS 294 Ca -0.18 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.28 3kft n HIS 294 Cb 0.53 -0.06 0.00 0.00 1.12 0.00 0.00 29.99 31.58 3kft n HIS 294 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3kft n GLY 295 N 1.41 -0.76 3.71 -1.41 0.00 -1.26 -5.00 105.19 101.86 3kft n GLY 295 Ca 0.02 -1.67 -0.42 0.00 0.00 0.00 0.00 46.02 43.95 3kft n GLY 295 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kft s VAL 296 N -0.32 3.56 -0.26 1.61 1.01 -0.56 -4.88 120.40 120.56 3kft s VAL 296 Ca 0.00 1.07 -0.09 0.00 0.00 0.00 0.00 61.98 62.96 3kft s VAL 296 Cb 0.00 -3.69 -0.04 0.00 0.00 0.00 0.00 36.38 32.65 3kft s VAL 296 CO 0.00 0.05 0.13 -0.63 0.00 0.00 0.00 175.10 174.65 3kft s ILE 297 N 1.54 4.89 -0.19 2.22 1.01 -1.26 -0.22 121.20 129.18 3kft s ILE 297 Ca 0.63 0.02 -0.04 0.00 0.00 0.00 0.00 60.65 61.27 3kft s ILE 297 Cb -0.34 -3.30 -0.02 0.00 0.01 0.00 0.00 42.46 38.81 3kft s ILE 297 CO 0.29 0.31 -0.03 -0.63 0.00 0.00 0.00 174.94 174.88 3kft s ILE 298 N 1.50 3.66 0.04 2.92 1.01 -0.18 0.85 121.20 131.01 3kft s ILE 298 Ca 0.06 -0.42 0.00 0.00 0.00 0.00 0.00 60.65 60.30 3kft s ILE 298 Cb -0.15 -2.64 -0.04 0.00 0.01 0.00 0.00 42.46 39.64 3kft s ILE 298 CO 0.07 0.44 0.14 -0.83 0.00 0.00 0.00 174.94 174.76 3kft s GLY 299 N 1.00 2.11 0.19 6.18 0.00 -0.45 -0.48 107.32 115.86 3kft s GLY 299 Ca 0.01 -0.88 -0.16 0.00 0.00 0.00 0.00 44.72 43.69 3kft s GLY 299 CO 0.01 -0.83 0.47 0.00 0.00 0.00 0.00 173.10 172.76 3kft s ALA 300 N -1.38 -0.75 0.00 3.20 0.00 -0.87 -1.60 121.76 120.36 3kft s ALA 300 Ca 0.30 -0.35 0.00 0.00 0.00 0.00 0.00 51.96 51.91 3kft s ALA 300 Cb -0.13 0.85 0.00 0.00 0.00 0.00 0.00 23.12 23.84 3kft s ALA 300 CO 0.22 -0.77 0.00 0.41 0.00 0.00 0.00 175.76 175.62 3kft n GLY 301 N -0.31 1.29 4.01 0.00 0.00 -1.26 -0.68 105.19 108.23 3kft n GLY 301 Ca -0.10 -0.70 -0.32 0.00 0.00 0.00 0.00 46.02 44.91 3kft n GLY 301 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kft n ALA 302 N 0.10 -1.32 -1.86 4.61 0.00 -1.26 -4.79 120.51 115.97 3kft n ALA 302 Ca 0.00 0.11 -0.32 0.00 0.00 0.00 0.00 53.44 53.23 3kft n ALA 302 Cb 0.00 -4.01 -0.03 0.00 0.00 0.00 0.00 19.45 15.41 3kft n ALA 302 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 3kft s TYR 303 N -3.33 3.45 0.30 0.00 2.02 -1.26 -5.08 117.35 113.45 3kft s TYR 303 Ca 0.65 1.44 0.09 0.00 -0.37 0.00 0.00 57.07 58.88 3kft s TYR 303 Cb -0.33 -2.77 -0.05 0.00 -0.40 0.00 0.00 41.96 38.41 3kft s TYR 303 CO 0.86 -0.35 0.01 0.95 -1.57 0.00 0.00 175.55 175.45 3kft s THR 304 N -2.61 3.02 0.32 -0.71 -4.23 -1.26 -5.02 115.64 105.15 3kft s THR 304 Ca 0.58 -1.93 0.03 0.00 -1.18 0.00 0.00 61.69 59.19 3kft s THR 304 Cb -0.10 -2.81 0.29 0.00 1.34 0.00 0.00 72.50 71.22 3kft s THR 304 CO 0.31 -0.29 1.92 0.00 -0.54 0.00 0.00 174.62 176.03 3kft h ALA 305 N 1.83 1.60 -0.18 3.99 0.00 -1.98 -1.40 119.26 123.12 3kft h ALA 305 Ca -0.43 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.35 3kft h ALA 305 Cb 1.25 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.81 3kft h ALA 305 CO 0.63 0.26 -0.33 1.49 0.00 0.00 0.00 179.25 181.30 3kft h GLU 306 N 0.91 0.54 -0.66 0.00 4.81 -1.98 0.95 114.58 119.14 3kft h GLU 306 Ca 0.37 -0.34 0.01 0.00 -0.13 0.00 0.00 59.36 59.27 3kft h GLU 306 Cb 0.27 0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.66 3kft h GLU 306 CO -0.14 0.95 0.44 -0.22 -0.73 0.00 0.00 179.01 179.31 3kft h LYS 307 N 0.19 0.87 -0.20 1.92 3.64 -1.91 -1.24 116.57 119.84 3kft h LYS 307 Ca 0.01 -0.05 -0.18 0.00 -1.27 0.00 0.00 60.65 59.16 3kft h LYS 307 Cb 0.92 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.55 3kft h LYS 307 CO 0.07 0.58 -0.58 0.00 -2.27 0.00 0.00 179.45 177.25 3kft h ALA 308 N 1.59 0.34 -0.55 5.00 0.00 -1.18 -2.32 119.26 122.14 3kft h ALA 308 Ca 0.24 -0.53 -0.07 0.00 0.00 0.00 0.00 54.91 54.55 3kft h ALA 308 Cb -0.10 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 3kft h ALA 308 CO -0.05 0.58 0.05 1.49 0.00 0.00 0.00 179.25 181.31 3kft h GLU 309 N 0.47 0.91 0.00 0.00 4.57 -0.36 -2.09 114.58 118.08 3kft h GLU 309 Ca -0.02 -0.24 0.00 0.00 -1.18 0.00 0.00 59.36 57.93 3kft h GLU 309 Cb 1.20 -0.11 0.00 0.00 -0.16 0.00 0.00 28.75 29.68 3kft h GLU 309 CO 0.12 0.87 0.00 -3.47 -1.18 0.00 0.00 179.01 175.36 3kft n ASP 310 N -4.22 0.00 -0.32 1.04 2.03 -0.51 -1.89 116.55 112.69 3kft n ASP 310 Ca 0.03 0.68 0.31 0.00 0.52 0.00 0.00 54.79 56.34 3kft n ASP 310 Cb 0.29 -0.18 0.58 0.00 -0.72 0.00 0.00 41.12 41.09 3kft n ASP 310 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 3kft n LEU 311 N -1.06 0.33 0.15 -2.67 4.77 -0.89 -0.41 117.00 117.23 3kft n LEU 311 Ca 0.00 1.58 -0.13 0.00 -0.03 0.00 0.00 56.01 57.43 3kft n LEU 311 Cb 0.00 -0.77 -0.08 0.00 -2.33 0.00 0.00 43.42 40.24 3kft n LEU 311 CO 0.00 -1.77 0.55 0.40 -1.33 0.00 0.00 177.39 175.24 3kft h ILE 312 N 0.00 0.70 -0.88 -0.08 2.04 -1.43 0.16 117.51 118.03 3kft h ILE 312 Ca 0.82 -0.59 0.13 0.00 1.00 0.00 0.00 64.86 66.23 3kft h ILE 312 Cb 2.21 1.00 -0.07 0.00 -0.74 0.00 0.00 36.82 39.22 3kft h ILE 312 CO -0.72 0.11 0.57 1.23 0.00 0.00 0.00 178.15 179.34 3kft h GLY 313 N -0.74 1.19 1.00 5.37 0.00 -0.00 0.51 103.07 110.39 3kft h GLY 313 Ca -0.04 -0.30 0.00 0.00 0.00 0.00 0.00 47.33 46.98 3kft h GLY 313 CO 0.07 0.11 0.00 0.28 0.00 0.00 0.00 176.54 177.00 3kft n LYS 314 N -4.55 0.75 -2.01 4.80 5.02 0.41 -4.87 118.16 117.71 3kft n LYS 314 Ca 0.17 0.00 -0.16 0.00 -2.02 0.00 0.00 58.31 56.30 3kft n LYS 314 Cb 0.44 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.92 3kft n LYS 314 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kft n GLY 315 N 0.49 0.37 0.08 0.72 0.00 0.18 -4.91 105.19 102.12 3kft n GLY 315 Ca 0.18 -0.24 -0.05 0.00 0.00 0.00 0.00 46.02 45.91 3kft n GLY 315 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3kft n LEU 316 N -2.11 0.39 -4.27 0.99 4.77 0.49 -4.95 117.00 112.31 3kft n LEU 316 Ca -0.18 0.18 -0.15 0.00 -0.03 0.00 0.00 56.01 55.84 3kft n LEU 316 Cb 0.60 0.28 -0.10 0.00 -2.33 0.00 0.00 43.42 41.87 3kft n LEU 316 CO 0.23 0.35 -0.27 0.27 -1.33 0.00 0.00 177.39 176.63 3kft s ILE 317 N -2.71 0.47 -0.05 -0.08 -4.36 -1.20 -4.76 121.20 108.51 3kft s ILE 317 Ca -0.07 -1.99 0.09 0.00 -0.26 0.00 0.00 60.65 58.42 3kft s ILE 317 Cb 0.08 -2.44 -0.13 0.00 1.25 0.00 0.00 42.46 41.22 3kft s ILE 317 CO 0.83 -0.16 0.21 0.47 0.24 0.00 0.00 174.94 176.53 3kft n ASP 318 N -0.35 2.75 -3.55 4.36 8.00 0.25 -4.20 116.55 123.81 3kft n ASP 318 Ca -0.02 -0.07 -0.07 0.00 0.71 0.00 0.00 54.79 55.34 3kft n ASP 318 Cb 0.65 1.35 -0.00 0.00 -0.02 0.00 0.00 41.12 43.10 3kft n ASP 318 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3kft s ALA 319 N -2.52 -1.17 -0.01 2.24 0.00 -0.88 -4.87 121.76 114.55 3kft s ALA 319 Ca -0.03 -0.37 0.01 0.00 0.00 0.00 0.00 51.96 51.57 3kft s ALA 319 Cb 0.06 0.76 0.00 0.00 0.00 0.00 0.00 23.12 23.94 3kft s ALA 319 CO 0.36 -1.03 -0.03 0.54 0.00 0.00 0.00 175.76 175.60 3kft s VAL 320 N -3.25 0.26 -0.18 0.00 0.11 -0.85 -1.34 120.40 115.14 3kft s VAL 320 Ca 0.13 -0.10 -0.10 0.00 -2.93 0.00 0.00 61.98 58.99 3kft s VAL 320 Cb -0.05 -0.25 -0.05 0.00 -1.53 0.00 0.00 36.38 34.50 3kft s VAL 320 CO 0.07 0.09 0.14 0.00 -3.33 0.00 0.00 175.10 172.08 3kft s ALA 321 N 0.18 3.71 -0.17 1.54 0.00 -0.63 -0.81 121.76 125.59 3kft s ALA 321 Ca -0.01 -0.67 -0.07 0.00 0.00 0.00 0.00 51.96 51.21 3kft s ALA 321 Cb -0.04 -2.15 -0.04 0.00 0.00 0.00 0.00 23.12 20.89 3kft s ALA 321 CO -0.00 0.23 0.05 -0.06 0.00 0.00 0.00 175.76 175.98 3kft s PHE 322 N 0.14 3.24 0.00 0.00 0.08 -0.06 -4.41 117.98 116.97 3kft s PHE 322 Ca 0.10 0.08 0.00 0.00 0.12 0.00 0.00 56.93 57.22 3kft s PHE 322 Cb -0.11 -2.03 0.00 0.00 -0.57 0.00 0.00 43.02 40.30 3kft s PHE 322 CO -0.01 0.20 0.00 0.41 -0.10 0.00 0.00 175.22 175.72 3kft n GLY 323 N 3.31 0.59 0.27 4.36 0.00 -1.26 -2.06 105.19 110.41 3kft n GLY 323 Ca -0.17 0.00 0.06 0.00 0.00 0.00 0.00 46.02 45.91 3kft n GLY 323 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3kft h ARG 324 N 0.00 0.30 -0.61 1.61 3.08 -1.97 0.24 114.38 117.02 3kft h ARG 324 Ca 0.00 -0.02 0.10 0.00 0.07 0.00 0.00 59.98 60.13 3kft h ARG 324 Cb 0.00 -0.07 -0.04 0.00 0.08 0.00 0.00 29.97 29.95 3kft h ARG 324 CO 0.00 0.20 0.41 -0.44 -1.07 0.00 0.00 179.97 179.07 3kft h ASP 325 N 0.31 0.39 0.54 7.04 3.32 -1.98 -1.58 116.42 124.46 3kft h ASP 325 Ca 0.42 0.01 -0.21 0.00 0.02 0.00 0.00 57.03 57.26 3kft h ASP 325 Cb 0.70 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 40.17 3kft h ASP 325 CO -0.49 0.23 -0.93 1.88 -1.72 0.00 0.00 179.24 178.21 3kft h TYR 326 N 0.43 0.38 -0.66 4.55 0.05 -0.78 -0.82 116.97 120.12 3kft h TYR 326 Ca 0.28 -0.22 0.09 0.00 0.05 0.00 0.00 58.73 58.93 3kft h TYR 326 Cb 0.54 -0.04 -0.07 0.00 1.01 0.00 0.00 36.73 38.17 3kft h TYR 326 CO -0.00 1.05 0.31 0.82 -1.05 0.00 0.00 178.16 179.29 3kft h ILE 327 N 0.13 0.85 -0.00 -2.88 2.04 -0.20 -3.16 117.51 114.29 3kft h ILE 327 Ca -0.06 -0.19 0.00 0.00 1.00 0.00 0.00 64.86 65.61 3kft h ILE 327 Cb 1.58 0.26 0.00 0.00 -0.74 0.00 0.00 36.82 37.92 3kft h ILE 327 CO 0.15 0.10 -0.62 0.00 0.00 0.00 0.00 178.15 177.77 3kft n ALA 328 N -2.41 3.88 -3.53 1.87 0.00 -0.79 -4.71 120.51 114.81 3kft n ALA 328 Ca 0.09 -0.48 -0.29 0.00 0.00 0.00 0.00 53.44 52.76 3kft n ALA 328 Cb 0.25 -0.96 -0.13 0.00 0.00 0.00 0.00 19.45 18.61 3kft n ALA 328 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 3kft s ASN 329 N -2.85 3.27 0.28 0.00 0.01 -0.33 -4.49 114.94 110.84 3kft s ASN 329 Ca 0.13 -1.99 0.02 0.00 -0.71 0.00 0.00 52.86 50.31 3kft s ASN 329 Cb 0.17 -0.50 0.60 0.00 0.41 0.00 0.00 41.25 41.93 3kft s ASN 329 CO 0.71 -0.34 1.80 -0.65 -1.51 0.00 0.00 177.10 177.11 3kft h PRO 330 N 7.38 0.83 -1.00 -0.60 0.11 -1.81 -1.33 132.00 135.58 3kft h PRO 330 Ca -0.02 -0.05 -0.66 0.00 0.11 0.00 0.00 66.00 65.37 3kft h PRO 330 Cb 0.98 -0.19 -0.31 0.00 0.11 0.00 0.00 31.00 31.59 3kft h PRO 330 CO 0.35 0.55 0.59 -0.40 -0.21 0.00 0.00 178.00 178.88 3kft n ASP 331 N -4.71 7.23 -0.14 -2.05 5.75 -1.26 -4.32 116.55 117.05 3kft n ASP 331 Ca 0.20 -3.78 0.24 0.00 -0.01 0.00 0.00 54.79 51.44 3kft n ASP 331 Cb 0.43 -0.87 0.68 0.00 -1.03 0.00 0.00 41.12 40.32 3kft n ASP 331 CO 0.00 0.00 0.00 0.25 -0.11 0.00 0.00 177.20 177.34 3kft h LEU 332 N 2.07 0.07 -0.03 -2.12 5.85 -1.57 -2.19 115.31 117.39 3kft h LEU 332 Ca 0.57 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 59.29 3kft h LEU 332 Cb 0.90 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.92 3kft h LEU 332 CO 1.45 0.03 0.00 0.58 -0.34 0.00 0.00 178.44 180.16 3kft h VAL 333 N 0.07 1.22 -0.70 1.05 2.07 -1.86 -0.97 116.25 117.14 3kft h VAL 333 Ca 0.38 -0.66 0.03 0.00 0.82 0.00 0.00 66.70 67.27 3kft h VAL 333 Cb 1.40 1.61 -0.04 0.00 -1.52 0.00 0.00 31.29 32.74 3kft h VAL 333 CO -0.03 0.18 0.43 0.00 0.02 0.00 0.00 177.57 178.17 3kft h ALA 334 N 0.74 0.91 -0.41 1.67 0.00 -1.81 -2.40 119.26 117.97 3kft h ALA 334 Ca 0.01 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 3kft h ALA 334 Cb 0.28 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 3kft h ALA 334 CO 0.00 0.20 0.11 0.00 0.00 0.00 0.00 179.25 179.56 3kft h ARG 335 N 0.84 0.66 -0.62 0.00 3.08 -1.23 -1.38 114.38 115.72 3kft h ARG 335 Ca 0.28 -0.15 -0.01 0.00 0.07 0.00 0.00 59.98 60.17 3kft h ARG 335 Cb 0.03 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 29.96 3kft h ARG 335 CO -0.11 0.67 0.35 -0.07 -1.07 0.00 0.00 179.97 179.74 3kft h LEU 336 N 0.53 0.75 -0.11 3.04 3.38 -0.96 -0.34 115.31 121.61 3kft h LEU 336 Ca 0.13 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3kft h LEU 336 Cb 0.30 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.86 3kft h LEU 336 CO -0.00 0.60 0.00 0.06 0.09 0.00 0.00 178.44 179.19 3kft h GLN 337 N 0.86 0.00 -0.42 1.13 3.07 -0.92 -3.07 115.11 115.77 3kft h GLN 337 Ca 0.22 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.96 3kft h GLN 337 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.56 3kft h GLN 337 CO -0.04 0.00 0.00 1.63 0.09 0.00 0.00 178.83 180.51 3kft n LYS 338 N -2.60 2.44 -4.48 0.06 5.02 -0.57 -4.94 118.16 113.09 3kft n LYS 338 Ca 0.05 -2.18 -0.40 0.00 -2.02 0.00 0.00 58.31 53.75 3kft n LYS 338 Cb 0.45 -1.42 -0.08 0.00 -0.02 0.00 0.00 35.03 33.96 3kft n LYS 338 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3kft n LYS 339 N 1.15 -0.91 -2.25 1.97 5.02 -0.50 -4.94 118.16 117.70 3kft n LYS 339 Ca 0.17 0.14 -0.33 0.00 -2.02 0.00 0.00 58.31 56.27 3kft n LYS 339 Cb 0.52 -4.50 -0.01 0.00 -0.02 0.00 0.00 35.03 31.02 3kft n LYS 339 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3kft s ALA 340 N -3.50 2.85 0.71 7.82 0.00 -0.26 -5.02 121.76 124.37 3kft s ALA 340 Ca 0.65 0.39 -0.16 0.00 0.00 0.00 0.00 51.96 52.84 3kft s ALA 340 Cb -0.38 -3.21 0.02 0.00 0.00 0.00 0.00 23.12 19.56 3kft s ALA 340 CO 1.02 -0.54 1.24 0.39 0.00 0.00 0.00 175.76 177.87 3kft n GLU 341 N -1.66 0.76 -4.15 0.00 1.02 -1.26 -4.79 120.64 110.56 3kft n GLU 341 Ca 0.08 0.32 -0.31 0.00 -0.02 0.00 0.00 57.16 57.23 3kft n GLU 341 Cb 0.53 -2.48 -0.08 0.00 -0.02 0.00 0.00 31.44 29.39 3kft n GLU 341 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3kft s LEU 342 N -4.68 3.64 0.61 -4.62 1.43 -1.26 -5.03 118.68 108.76 3kft s LEU 342 Ca 0.79 -0.03 -0.19 0.00 -1.03 0.00 0.00 54.13 53.67 3kft s LEU 342 Cb -0.35 -2.23 -0.04 0.00 0.03 0.00 0.00 46.19 43.60 3kft s LEU 342 CO 0.44 0.22 1.12 0.59 0.23 0.00 0.00 176.35 178.95 3kft n ASN 343 N 0.88 1.42 -4.77 2.29 3.02 -1.26 -4.95 115.26 111.89 3kft n ASN 343 Ca -0.12 0.83 -0.39 0.00 -0.03 0.00 0.00 54.58 54.88 3kft n ASN 343 Cb 0.52 -1.47 -0.01 0.00 -0.61 0.00 0.00 39.78 38.22 3kft n ASN 343 CO 0.00 0.00 0.00 -2.84 -2.62 0.00 0.00 177.26 171.80 3kft s PRO 344 N -2.98 4.01 0.31 3.52 0.02 -1.26 -4.91 135.00 133.72 3kft s PRO 344 Ca 0.78 2.03 -0.26 0.00 0.02 0.00 0.00 61.00 63.57 3kft s PRO 344 Cb -0.41 -2.73 -0.10 0.00 0.02 0.00 0.00 34.50 31.28 3kft s PRO 344 CO 0.45 -0.42 0.92 -0.65 -0.33 0.00 0.00 177.00 176.98 3kft s GLN 345 N -2.24 4.56 -0.78 5.54 -0.21 -1.26 -4.97 119.66 120.30 3kft s GLN 345 Ca 0.57 1.29 0.03 0.00 0.02 0.00 0.00 55.36 57.26 3kft s GLN 345 Cb -0.35 -2.81 0.20 0.00 1.00 0.00 0.00 33.01 31.04 3kft s GLN 345 CO 0.45 0.29 0.64 0.54 -2.12 0.00 0.00 175.29 175.09 3kft n ARG 346 N 0.59 2.23 -0.19 2.91 1.74 -1.26 -4.95 116.66 117.72 3kft n ARG 346 Ca 0.01 -4.51 0.15 0.00 -0.77 0.00 0.00 57.85 52.74 3kft n ARG 346 Cb 0.50 -2.33 0.49 0.00 -1.02 0.00 0.00 32.46 30.10 3kft n ARG 346 CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 3kft h PRO 347 N 5.47 0.44 0.00 5.56 0.11 -1.98 -0.87 132.00 140.73 3kft h PRO 347 Ca 0.16 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.24 3kft h PRO 347 Cb 0.76 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.77 3kft h PRO 347 CO 0.79 0.29 0.00 -0.85 -0.21 0.00 0.00 178.00 178.02 3kft n GLU 348 N -4.49 0.17 -0.20 1.05 0.00 -1.26 -1.87 120.64 114.03 3kft n GLU 348 Ca 0.15 0.55 0.09 0.00 0.00 0.00 0.00 57.16 57.96 3kft n GLU 348 Cb 0.54 -1.93 0.16 0.00 0.00 0.00 0.00 31.44 30.21 3kft n GLU 348 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.13 176.00 3kft n SER 349 N -2.27 2.34 -0.16 -1.84 3.41 -0.33 -4.66 113.62 110.11 3kft n SER 349 Ca -0.00 -3.24 -0.08 0.00 -0.26 0.00 0.00 58.87 55.30 3kft n SER 349 Cb 0.12 -0.46 0.01 0.00 -0.26 0.00 0.00 64.21 63.62 3kft n SER 349 CO 0.00 0.00 0.00 -0.26 -0.16 0.00 0.00 175.04 174.62 3kft h PHE 350 N 0.30 0.64 -3.31 7.33 0.04 -1.39 -3.44 116.94 117.10 3kft h PHE 350 Ca 0.00 -0.00 -0.64 0.00 2.80 0.00 0.00 57.97 60.14 3kft h PHE 350 Cb 1.04 -0.21 -0.21 0.00 2.20 0.00 0.00 35.95 38.77 3kft h PHE 350 CO 0.18 0.45 -0.66 0.71 -0.60 0.00 0.00 178.31 178.38 3kft s TYR 351 N -5.98 3.04 0.08 -0.55 2.02 -1.26 -4.51 117.35 110.19 3kft s TYR 351 Ca -0.13 -0.29 0.00 0.00 -0.37 0.00 0.00 57.07 56.28 3kft s TYR 351 Cb 0.12 -1.98 0.00 0.00 -0.40 0.00 0.00 41.96 39.70 3kft s TYR 351 CO 0.74 -0.04 0.00 0.41 -1.57 0.00 0.00 175.55 175.09 3kft n GLY 352 N 3.60 -2.07 4.47 0.71 0.00 -0.49 -4.77 105.19 106.64 3kft n GLY 352 Ca -0.17 -1.40 0.00 0.00 0.00 0.00 0.00 46.02 44.45 3kft n GLY 352 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kft n GLY 353 N -1.52 -0.87 0.00 -0.02 0.00 -1.26 -4.89 105.19 96.62 3kft n GLY 353 Ca 0.00 -1.46 0.00 0.00 0.00 0.00 0.00 46.02 44.57 3kft n GLY 353 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kft n GLY 354 N 0.00 5.38 0.31 -0.02 0.00 -1.26 -4.81 105.19 104.79 3kft n GLY 354 Ca 0.00 -1.33 0.16 0.00 0.00 0.00 0.00 46.02 44.85 3kft n GLY 354 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kft h ALA 355 N 1.00 1.53 -2.36 4.61 0.00 -1.98 -3.39 119.26 118.67 3kft h ALA 355 Ca 0.00 -0.00 -0.54 0.00 0.00 0.00 0.00 54.91 54.37 3kft h ALA 355 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 3kft h ALA 355 CO 0.00 -0.06 0.90 -2.00 0.00 0.00 0.00 179.25 178.09 3kft s GLU 356 N -4.58 4.25 -0.41 0.00 2.12 -1.26 -1.40 118.70 117.42 3kft s GLU 356 Ca -0.05 2.05 0.00 0.00 0.36 0.00 0.00 54.97 57.33 3kft s GLU 356 Cb 0.15 -3.64 0.00 0.00 0.26 0.00 0.00 34.13 30.90 3kft s GLU 356 CO 0.53 -0.65 0.00 0.41 -0.54 0.00 0.00 175.26 175.01 3kft n GLY 357 N 3.77 0.67 1.50 -1.50 0.00 -1.26 -4.87 105.19 103.50 3kft n GLY 357 Ca 0.14 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.69 3kft n GLY 357 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3kft n TYR 358 N -2.77 -0.44 0.33 1.61 9.36 -0.54 -4.75 117.16 119.96 3kft n TYR 358 Ca -0.04 0.08 0.09 0.00 3.32 0.00 0.00 57.90 61.35 3kft n TYR 358 Cb 0.19 0.26 0.15 0.00 -0.63 0.00 0.00 39.34 39.31 3kft n TYR 358 CO 0.00 0.00 0.00 0.25 0.22 0.00 0.00 176.86 177.33 3kft n THR 359 N -2.83 0.41 -0.65 2.97 -2.24 -0.49 -4.58 114.28 106.86 3kft n THR 359 Ca 0.00 -0.70 0.08 0.00 -2.27 0.00 0.00 64.05 61.15 3kft n THR 359 Cb 0.00 1.02 0.27 0.00 -2.10 0.00 0.00 70.33 69.52 3kft n THR 359 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3kft n ASP 360 N 1.08 3.99 -4.67 3.42 5.75 -1.22 -4.88 116.55 120.03 3kft n ASP 360 Ca 0.14 -2.57 -0.40 0.00 -0.01 0.00 0.00 54.79 51.95 3kft n ASP 360 Cb 0.49 -0.48 -0.05 0.00 -1.03 0.00 0.00 41.12 40.05 3kft n ASP 360 CO 0.00 0.00 0.00 -0.31 -0.11 0.00 0.00 177.20 176.78 3kft s TYR 361 N -2.03 3.42 0.55 2.11 2.02 -1.26 -4.90 117.35 117.25 3kft s TYR 361 Ca 0.40 1.09 -0.10 0.00 -0.37 0.00 0.00 57.07 58.09 3kft s TYR 361 Cb 0.28 -2.88 -0.05 0.00 -0.40 0.00 0.00 41.96 38.92 3kft s TYR 361 CO 0.16 -0.16 0.93 -1.25 -1.57 0.00 0.00 175.55 173.66 3kft s PRO 362 N 1.86 3.65 0.70 -1.71 0.05 -1.26 -4.59 135.00 133.69 3kft s PRO 362 Ca 0.33 0.60 -0.03 0.00 0.05 0.00 0.00 61.00 61.96 3kft s PRO 362 Cb -0.16 -2.20 0.10 0.00 0.05 0.00 0.00 34.50 32.29 3kft s PRO 362 CO 0.12 -0.38 0.98 -1.54 0.05 0.00 0.00 177.00 176.23 3kft s SER 363 N -3.90 4.56 0.00 6.66 1.04 -1.26 -4.62 113.70 116.18 3kft s SER 363 Ca 0.53 -0.04 0.00 0.00 0.48 0.00 0.00 55.95 56.92 3kft s SER 363 Cb -0.11 -0.49 0.00 0.00 0.10 0.00 0.00 66.02 65.52 3kft s SER 363 CO 0.46 -1.71 0.47 0.18 0.98 0.00 0.00 173.24 173.62