#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mft s VAL 6 N 0.00 4.37 0.07 2.53 0.11 -1.26 -5.13 120.40 121.09 3mft s VAL 6 Ca 0.00 -0.97 0.08 0.00 -2.93 0.00 0.00 61.98 58.16 3mft s VAL 6 Cb 0.00 -3.16 -0.03 0.00 -1.53 0.00 0.00 36.38 31.66 3mft s VAL 6 CO 0.00 0.02 -0.22 -0.76 -3.33 0.00 0.00 175.10 170.81 3mft s LEU 7 N -2.68 2.23 0.34 2.54 1.43 -1.26 -4.81 118.68 116.46 3mft s LEU 7 Ca 0.29 -0.61 0.03 0.00 -1.03 0.00 0.00 54.13 52.81 3mft s LEU 7 Cb -0.11 -1.00 0.63 0.00 0.03 0.00 0.00 46.19 45.74 3mft s LEU 7 CO 0.22 0.14 1.96 0.15 0.23 0.00 0.00 176.35 179.05 3mft h PHE 8 N 4.48 0.87 -0.00 0.29 3.57 -1.96 -1.73 116.94 122.47 3mft h PHE 8 Ca -0.45 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.07 3mft h PHE 8 Cb 1.17 -0.29 0.00 0.00 2.79 0.00 0.00 35.95 39.62 3mft h PHE 8 CO 0.55 0.49 -0.01 0.39 -2.23 0.00 0.00 178.31 177.51 3mft n GLU 9 N -4.46 0.64 0.17 1.11 1.02 -1.26 -2.22 120.64 115.63 3mft n GLU 9 Ca 0.10 -0.02 0.03 0.00 -0.02 0.00 0.00 57.16 57.25 3mft n GLU 9 Cb 0.15 -1.50 0.40 0.00 -0.02 0.00 0.00 31.44 30.47 3mft n GLU 9 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 3mft h ASP 10 N 0.04 0.10 0.03 1.62 5.19 -1.73 -3.32 116.42 118.35 3mft h ASP 10 Ca 0.00 -0.02 -0.38 0.00 -0.62 0.00 0.00 57.03 56.00 3mft h ASP 10 Cb 0.20 -0.03 -0.05 0.00 0.18 0.00 0.00 39.33 39.63 3mft h ASP 10 CO 0.00 0.34 -2.32 0.52 -3.12 0.00 0.00 179.24 174.67 3mft n VAL 11 N -4.21 1.57 -4.54 -1.35 0.31 -1.00 -4.91 118.33 104.19 3mft n VAL 11 Ca -0.02 -0.56 -0.27 0.00 -0.01 0.00 0.00 64.34 63.48 3mft n VAL 11 Cb 0.32 -1.56 -0.14 0.00 -0.91 0.00 0.00 33.84 31.55 3mft n VAL 11 CO 0.00 0.00 0.00 -0.31 -1.32 0.00 0.00 176.83 175.20 3mft s TYR 12 N -2.52 2.06 -0.24 3.52 2.02 -0.94 -0.64 117.35 120.59 3mft s TYR 12 Ca -0.32 -0.40 -0.20 0.00 -0.37 0.00 0.00 57.07 55.79 3mft s TYR 12 Cb 0.09 -1.17 -0.02 0.00 -0.40 0.00 0.00 41.96 40.45 3mft s TYR 12 CO 0.64 0.20 0.60 -2.00 -1.57 0.00 0.00 175.55 173.42 3mft s GLU 13 N -1.62 4.12 0.04 -0.62 2.12 0.67 -4.30 118.70 119.12 3mft s GLU 13 Ca 0.10 0.51 -0.30 0.00 0.36 0.00 0.00 54.97 55.64 3mft s GLU 13 Cb -0.10 -3.64 -0.07 0.00 0.26 0.00 0.00 34.13 30.58 3mft s GLU 13 CO 0.04 -0.36 1.57 -0.51 -0.54 0.00 0.00 175.26 175.45 3mft s LEU 14 N 2.35 4.35 0.00 2.70 1.43 -1.26 -1.51 118.68 126.73 3mft s LEU 14 Ca 0.25 2.36 0.00 0.00 -1.03 0.00 0.00 54.13 55.71 3mft s LEU 14 Cb -0.16 -3.56 0.00 0.00 0.03 0.00 0.00 46.19 42.50 3mft s LEU 14 CO 0.09 -0.83 0.00 0.00 0.23 0.00 0.00 176.35 175.83 3mft s GLU 16 N 2.50 4.05 0.15 0.00 8.01 -1.25 -4.55 118.70 127.61 3mft s GLU 16 Ca 0.00 1.90 -0.31 0.00 0.01 0.00 0.00 54.97 56.57 3mft s GLU 16 Cb 0.00 -2.71 -0.10 0.00 -4.31 0.00 0.00 34.13 27.01 3mft s GLU 16 CO 0.00 -0.34 1.67 0.08 0.01 0.00 0.00 175.26 176.68 3mft s VAL 17 N -1.37 2.57 -0.25 2.63 1.01 -1.26 -1.56 120.40 122.16 3mft s VAL 17 Ca 0.57 0.29 -0.13 0.00 0.00 0.00 0.00 61.98 62.71 3mft s VAL 17 Cb -0.32 -3.19 -0.11 0.00 0.00 0.00 0.00 36.38 32.76 3mft s VAL 17 CO 0.41 0.01 -0.33 -0.38 0.00 0.00 0.00 175.10 174.81 3mft n ILE 18 N 4.27 1.42 -4.21 2.22 5.41 0.14 -4.93 119.36 123.68 3mft n ILE 18 Ca 0.15 -0.34 -0.13 0.00 1.00 0.00 0.00 62.75 63.44 3mft n ILE 18 Cb 0.38 -1.87 -0.10 0.00 -0.71 0.00 0.00 39.64 37.34 3mft n ILE 18 CO 0.00 0.00 0.00 -0.83 0.00 0.00 0.00 176.55 175.72 3mft s GLY 19 N -5.44 0.92 -0.35 7.39 0.00 -1.01 -4.99 107.32 103.84 3mft s GLY 19 Ca -0.36 -1.40 0.01 0.00 0.00 0.00 0.00 44.72 42.98 3mft s GLY 19 CO 0.45 -1.50 0.30 1.25 0.00 0.00 0.00 173.10 173.61 3mft s LYS 20 N -3.66 0.56 0.00 2.90 2.20 -1.26 -0.28 119.74 120.20 3mft s LYS 20 Ca 0.13 -0.96 0.00 0.00 -0.36 0.00 0.00 55.97 54.79 3mft s LYS 20 Cb 0.03 -0.94 0.00 0.00 -1.51 0.00 0.00 37.83 35.41 3mft s LYS 20 CO -0.02 -1.18 0.00 0.41 -0.36 0.00 0.00 175.35 174.20 3mft n GLY 21 N 4.30 -1.78 0.16 5.54 0.00 -1.15 -4.99 105.19 107.27 3mft n GLY 21 Ca 0.10 -1.48 -0.20 0.00 0.00 0.00 0.00 46.02 44.43 3mft n GLY 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mft h ALA 22 N -2.00 0.03 -0.00 4.61 0.00 -2.01 -3.38 119.26 116.50 3mft h ALA 22 Ca 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 54.91 54.21 3mft h ALA 22 Cb 0.00 0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3mft h ALA 22 CO 0.00 0.56 -0.01 1.19 0.00 0.00 0.00 179.25 180.99 3mft n PHE 23 N -3.95 0.00 -4.59 0.00 3.72 -1.26 -5.07 117.46 106.30 3mft n PHE 23 Ca -0.12 0.00 -0.31 0.00 -0.05 0.00 0.00 57.45 56.97 3mft n PHE 23 Cb 0.87 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 39.35 3mft n PHE 23 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 3mft n SER 24 N -0.89 3.27 -3.70 4.37 3.41 -1.26 -2.61 113.62 116.21 3mft n SER 24 Ca 0.00 -3.13 -0.13 0.00 -0.26 0.00 0.00 58.87 55.35 3mft n SER 24 Cb 0.00 0.28 -0.09 0.00 -0.26 0.00 0.00 64.21 64.15 3mft n SER 24 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3mft s VAL 25 N -2.77 0.00 -0.13 -3.33 0.11 -0.36 -2.91 120.40 111.00 3mft s VAL 25 Ca 0.05 -0.02 -0.03 0.00 -2.93 0.00 0.00 61.98 59.06 3mft s VAL 25 Cb -0.00 -0.69 -0.03 0.00 -1.53 0.00 0.00 36.38 34.12 3mft s VAL 25 CO 0.03 -0.01 -0.04 -0.69 -3.33 0.00 0.00 175.10 171.07 3mft s VAL 26 N 0.16 3.93 0.07 2.04 1.01 0.61 0.12 120.40 128.34 3mft s VAL 26 Ca -0.01 -0.36 0.04 0.00 0.00 0.00 0.00 61.98 61.65 3mft s VAL 26 Cb -0.03 -2.70 -0.03 0.00 0.00 0.00 0.00 36.38 33.62 3mft s VAL 26 CO 0.01 0.52 -0.11 -0.13 0.00 0.00 0.00 175.10 175.39 3mft s ARG 27 N 0.03 0.72 0.35 2.72 0.52 -0.29 0.23 118.95 123.23 3mft s ARG 27 Ca 0.00 -0.94 -0.26 0.00 -0.52 0.00 0.00 55.73 54.02 3mft s ARG 27 Cb -0.13 -0.56 -0.09 0.00 0.52 0.00 0.00 34.95 34.69 3mft s ARG 27 CO 0.03 0.11 1.07 0.50 0.02 0.00 0.00 175.30 177.03 3mft s ARG 28 N -1.95 4.35 0.14 3.54 3.52 -0.60 -0.45 118.95 127.50 3mft s ARG 28 Ca -0.03 1.64 -0.03 0.00 -0.13 0.00 0.00 55.73 57.18 3mft s ARG 28 Cb -0.08 -2.80 -0.03 0.00 -1.56 0.00 0.00 34.95 30.48 3mft s ARG 28 CO 0.01 -0.01 0.11 0.00 -0.81 0.00 0.00 175.30 174.60 3mft s ILE 30 N -4.02 0.95 0.04 0.00 1.01 -0.57 -0.63 121.20 117.97 3mft s ILE 30 Ca 0.22 -0.30 -0.33 0.00 0.00 0.00 0.00 60.65 60.23 3mft s ILE 30 Cb 0.06 -0.93 -0.12 0.00 0.01 0.00 0.00 42.46 41.48 3mft s ILE 30 CO 0.01 0.33 1.79 -3.20 0.00 0.00 0.00 174.94 173.88 3mft n ASN 31 N 4.41 3.52 -0.25 3.58 2.85 -0.46 -0.24 115.26 128.68 3mft n ASN 31 Ca -0.18 1.00 -0.07 0.00 -0.11 0.00 0.00 54.58 55.23 3mft n ASN 31 Cb 0.51 -1.44 0.05 0.00 1.24 0.00 0.00 39.78 40.14 3mft n ASN 31 CO 0.00 0.00 0.00 0.03 -2.11 0.00 0.00 177.26 175.18 3mft h ARG 32 N 8.22 1.05 0.58 1.20 3.08 -1.22 0.11 114.38 127.41 3mft h ARG 32 Ca -0.47 -0.20 -0.03 0.00 0.07 0.00 0.00 59.98 59.35 3mft h ARG 32 Cb 1.25 -0.16 0.01 0.00 0.08 0.00 0.00 29.97 31.14 3mft h ARG 32 CO 0.93 0.88 -0.28 0.93 -1.07 0.00 0.00 179.97 181.36 3mft h GLU 33 N 1.00 -0.75 0.00 0.04 4.39 -1.91 -3.38 114.58 113.97 3mft h GLU 33 Ca 0.23 0.05 -0.19 0.00 0.34 0.00 0.00 59.36 59.79 3mft h GLU 33 Cb 0.24 0.17 -0.03 0.00 -0.10 0.00 0.00 28.75 29.02 3mft h GLU 33 CO -0.02 -0.45 -1.66 0.25 -1.16 0.00 0.00 179.01 175.98 3mft n THR 34 N -5.36 1.12 -0.63 1.13 -2.24 -1.22 -4.99 114.28 102.09 3mft n THR 34 Ca -0.12 -0.71 0.00 0.00 -2.27 0.00 0.00 64.05 60.96 3mft n THR 34 Cb 0.34 -0.63 0.00 0.00 -2.10 0.00 0.00 70.33 67.94 3mft n THR 34 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3mft n GLY 35 N 1.45 1.06 3.74 3.38 0.00 0.39 -5.03 105.19 110.18 3mft n GLY 35 Ca -0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.48 3mft n GLY 35 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3mft s GLN 36 N -0.27 4.57 0.34 1.61 -0.21 -1.26 -4.70 119.66 119.75 3mft s GLN 36 Ca 0.00 1.79 -0.26 0.00 0.02 0.00 0.00 55.36 56.91 3mft s GLN 36 Cb 0.00 -3.24 -0.09 0.00 1.00 0.00 0.00 33.01 30.67 3mft s GLN 36 CO 0.00 0.05 1.00 -0.65 -2.12 0.00 0.00 175.29 173.57 3mft s GLN 37 N -0.58 4.45 0.27 2.91 -0.21 -1.26 -1.35 119.66 123.89 3mft s GLN 37 Ca 0.49 1.46 0.03 0.00 0.02 0.00 0.00 55.36 57.37 3mft s GLN 37 Cb -0.31 -2.77 -0.04 0.00 1.00 0.00 0.00 33.01 30.89 3mft s GLN 37 CO 0.37 0.13 0.20 -0.06 -2.12 0.00 0.00 175.29 173.81 3mft s PHE 38 N -1.56 1.49 -0.07 0.91 0.08 0.20 -4.34 117.98 114.68 3mft s PHE 38 Ca 0.52 -1.51 0.04 0.00 0.12 0.00 0.00 56.93 56.11 3mft s PHE 38 Cb -0.22 -0.67 -0.01 0.00 -0.57 0.00 0.00 43.02 41.55 3mft s PHE 38 CO 0.28 -0.73 -0.21 0.00 -0.10 0.00 0.00 175.22 174.45 3mft s ALA 39 N -3.77 2.31 -0.07 5.36 0.00 -0.58 -1.62 121.76 123.39 3mft s ALA 39 Ca 0.39 -1.00 0.03 0.00 0.00 0.00 0.00 51.96 51.39 3mft s ALA 39 Cb 0.05 -0.82 0.00 0.00 0.00 0.00 0.00 23.12 22.35 3mft s ALA 39 CO 0.20 0.39 -0.17 0.54 0.00 0.00 0.00 175.76 176.72 3mft s VAL 40 N -0.09 1.50 -0.37 0.00 0.11 0.41 0.45 120.40 122.40 3mft s VAL 40 Ca -0.05 -0.71 -0.15 0.00 -2.93 0.00 0.00 61.98 58.14 3mft s VAL 40 Cb -0.14 -1.31 0.00 0.00 -1.53 0.00 0.00 36.38 33.40 3mft s VAL 40 CO 0.04 0.43 0.34 -0.75 -3.33 0.00 0.00 175.10 171.84 3mft s LYS 41 N 0.36 3.33 -0.35 1.54 2.20 -0.04 -1.14 119.74 125.63 3mft s LYS 41 Ca -0.12 -0.66 -0.13 0.00 -0.36 0.00 0.00 55.97 54.70 3mft s LYS 41 Cb -0.15 -3.88 -0.00 0.00 -1.51 0.00 0.00 37.83 32.29 3mft s LYS 41 CO 0.05 -0.63 0.24 0.42 -0.36 0.00 0.00 175.35 175.07 3mft s ILE 42 N 1.91 5.12 -0.14 5.43 1.01 0.12 -1.43 121.20 133.22 3mft s ILE 42 Ca 0.09 -0.40 -0.06 0.00 0.00 0.00 0.00 60.65 60.28 3mft s ILE 42 Cb -0.17 -3.70 -0.04 0.00 0.01 0.00 0.00 42.46 38.56 3mft s ILE 42 CO 0.12 -0.09 0.07 -0.69 0.00 0.00 0.00 174.94 174.35 3mft s VAL 43 N 1.68 4.92 -0.81 2.92 1.01 -0.10 -1.22 120.40 128.80 3mft s VAL 43 Ca 0.05 -0.00 -0.20 0.00 0.00 0.00 0.00 61.98 61.83 3mft s VAL 43 Cb -0.18 -3.16 0.11 0.00 0.00 0.00 0.00 36.38 33.15 3mft s VAL 43 CO 0.09 0.54 1.03 -0.62 0.00 0.00 0.00 175.10 176.14 3mft s ASP 44 N -0.31 6.44 0.15 3.32 3.68 -1.07 -1.52 116.67 127.35 3mft s ASP 44 Ca 0.09 -1.67 -0.16 0.00 2.13 0.00 0.00 52.55 52.95 3mft s ASP 44 Cb -0.12 -2.39 0.02 0.00 -1.45 0.00 0.00 42.92 38.98 3mft s ASP 44 CO 0.02 -1.18 1.77 0.58 0.13 0.00 0.00 175.17 176.49 3mft h VAL 45 N 5.87 1.15 0.00 1.11 2.07 -1.89 0.17 116.25 124.73 3mft h VAL 45 Ca -0.03 -0.35 0.00 0.00 0.82 0.00 0.00 66.70 67.14 3mft h VAL 45 Cb 1.05 0.59 0.00 0.00 -1.52 0.00 0.00 31.29 31.40 3mft h VAL 45 CO 1.12 0.15 0.00 0.00 0.02 0.00 0.00 177.57 178.86 3mft n ALA 46 N -2.25 1.86 0.00 1.67 0.00 -1.26 -2.61 120.51 117.92 3mft n ALA 46 Ca 0.01 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.38 3mft n ALA 46 Cb 0.06 -1.25 0.00 0.00 0.00 0.00 0.00 19.45 18.27 3mft n ALA 46 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3mft n LYS 47 N -1.27 3.13 -0.04 0.00 5.02 -1.00 -4.69 118.16 119.31 3mft n LYS 47 Ca 0.07 0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 56.22 3mft n LYS 47 Cb 0.12 -0.65 -0.09 0.00 -0.02 0.00 0.00 35.03 34.39 3mft n LYS 47 CO 0.00 0.00 0.00 0.35 -0.52 0.00 0.00 177.40 177.23 3mft h PHE 48 N 0.00 0.40 0.00 2.13 3.57 -0.55 -3.37 116.94 119.12 3mft h PHE 48 Ca 0.00 -0.16 -0.68 0.00 3.53 0.00 0.00 57.97 60.65 3mft h PHE 48 Cb 0.00 -0.07 -0.00 0.00 2.79 0.00 0.00 35.95 38.67 3mft h PHE 48 CO 0.00 0.87 3.49 0.25 -2.23 0.00 0.00 178.31 180.69 3mft n THR 49 N -4.49 3.86 0.00 4.41 -2.24 -1.07 -3.70 114.28 111.05 3mft n THR 49 Ca -0.08 -2.75 0.00 0.00 -2.27 0.00 0.00 64.05 58.95 3mft n THR 49 Cb 0.45 -2.60 0.00 0.00 -2.10 0.00 0.00 70.33 66.08 3mft n THR 49 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3mft n SER 50 N 4.80 0.00 -3.62 3.42 7.64 -1.26 -5.01 113.62 119.59 3mft n SER 50 Ca 0.66 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.54 3mft n SER 50 Cb 0.30 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.50 3mft n SER 50 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 3mft n SER 51 N -0.30 0.00 -4.44 6.43 7.64 -1.24 -4.75 113.62 116.95 3mft n SER 51 Ca 0.00 0.00 -0.57 0.00 1.01 0.00 0.00 58.87 59.31 3mft n SER 51 Cb 0.00 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.11 3mft n SER 51 CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 3mft n PRO 52 N 0.00 0.58 -0.82 1.43 -0.02 -1.26 -4.56 135.00 130.35 3mft n PRO 52 Ca 0.00 0.18 -0.07 0.00 -2.02 0.00 0.00 63.50 61.59 3mft n PRO 52 Cb 0.00 -1.94 -0.07 0.00 -0.02 0.00 0.00 33.50 31.47 3mft n PRO 52 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3mft n GLY 53 N 6.29 -0.16 3.47 -1.23 0.00 -1.26 -4.90 105.19 107.40 3mft n GLY 53 Ca 0.43 -0.00 -0.34 0.00 0.00 0.00 0.00 46.02 46.11 3mft n GLY 53 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 3mft s LEU 54 N 0.00 3.14 0.00 0.99 0.05 -1.26 -5.12 118.68 116.48 3mft s LEU 54 Ca 0.41 -0.18 -0.15 0.00 0.05 0.00 0.00 54.13 54.26 3mft s LEU 54 Cb -0.26 -1.75 0.21 0.00 -2.05 0.00 0.00 46.19 42.34 3mft s LEU 54 CO 0.18 0.16 0.99 -0.24 -0.55 0.00 0.00 176.35 176.89 3mft n SER 55 N 3.57 -0.84 0.11 1.48 2.88 -1.26 -4.62 113.62 114.94 3mft n SER 55 Ca -0.18 -1.23 -0.03 0.00 -1.33 0.00 0.00 58.87 56.11 3mft n SER 55 Cb 0.52 -0.82 0.07 0.00 -0.75 0.00 0.00 64.21 63.23 3mft n SER 55 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 3mft h THR 56 N -2.04 1.50 -0.54 2.46 2.02 -1.99 -2.96 112.91 111.36 3mft h THR 56 Ca -0.34 -2.58 0.16 0.00 0.77 0.00 0.00 66.41 64.42 3mft h THR 56 Cb 0.99 2.40 -0.02 0.00 -1.74 0.00 0.00 68.15 69.78 3mft h THR 56 CO 0.23 0.73 0.46 -0.08 0.37 0.00 0.00 175.52 177.24 3mft h GLU 57 N 0.00 0.00 0.00 6.66 4.57 -1.98 -0.60 114.58 123.23 3mft h GLU 57 Ca -0.01 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.17 3mft h GLU 57 Cb 1.34 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.93 3mft h GLU 57 CO 0.10 0.00 0.00 -0.44 -1.18 0.00 0.00 179.01 177.49 3mft h ASP 58 N 0.00 0.00 0.19 1.04 3.32 -1.86 0.16 116.42 119.27 3mft h ASP 58 Ca 0.26 0.00 -0.35 0.00 0.02 0.00 0.00 57.03 56.96 3mft h ASP 58 Cb 1.19 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.70 3mft h ASP 58 CO -0.00 0.00 -2.00 0.18 -1.72 0.00 0.00 179.24 175.69 3mft n LEU 59 N -2.67 2.16 -0.12 1.55 4.77 -0.34 -3.87 117.00 118.48 3mft n LEU 59 Ca 0.04 0.21 -0.12 0.00 -0.03 0.00 0.00 56.01 56.11 3mft n LEU 59 Cb 0.42 -0.73 -0.03 0.00 -2.33 0.00 0.00 43.42 40.75 3mft n LEU 59 CO 0.30 0.74 0.67 0.11 -1.33 0.00 0.00 177.39 177.88 3mft h LYS 60 N 0.04 0.74 -0.12 3.23 1.57 -1.19 -2.57 116.57 118.28 3mft h LYS 60 Ca -0.42 -0.31 0.05 0.00 -1.87 0.00 0.00 60.65 58.10 3mft h LYS 60 Cb 2.03 -0.03 -0.06 0.00 0.08 0.00 0.00 32.23 34.25 3mft h LYS 60 CO 0.06 0.92 -0.24 -0.09 -0.57 0.00 0.00 179.45 179.54 3mft h ARG 61 N 0.53 -0.29 -0.24 3.15 2.43 -0.87 0.21 114.38 119.30 3mft h ARG 61 Ca 0.08 0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.27 3mft h ARG 61 Cb 0.69 0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.29 3mft h ARG 61 CO 0.05 -0.19 0.15 1.49 -1.51 0.00 0.00 179.97 179.95 3mft h GLU 62 N -0.30 0.33 -0.78 0.20 4.81 -1.66 -1.93 114.58 115.24 3mft h GLU 62 Ca 0.10 -0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 59.25 3mft h GLU 62 Cb 0.45 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.72 3mft h GLU 62 CO -0.30 0.26 0.29 0.00 -0.73 0.00 0.00 179.01 178.53 3mft h ALA 63 N 1.05 1.04 0.00 2.92 0.00 -1.30 -2.13 119.26 120.85 3mft h ALA 63 Ca 0.09 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 54.72 3mft h ALA 63 Cb 0.01 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 3mft h ALA 63 CO -0.02 0.67 -0.33 1.03 0.00 0.00 0.00 179.25 180.60 3mft h SER 64 N 1.15 0.00 0.00 0.00 0.87 -0.79 -1.31 113.55 113.47 3mft h SER 64 Ca 0.26 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.80 3mft h SER 64 Cb 0.24 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.20 3mft h SER 64 CO -0.02 0.33 -0.07 0.40 -0.53 0.00 0.00 176.83 176.94 3mft h ILE 65 N 0.00 1.62 0.00 2.23 2.04 -1.08 -3.25 117.51 119.07 3mft h ILE 65 Ca -0.00 -1.93 -0.03 0.00 1.00 0.00 0.00 64.86 63.90 3mft h ILE 65 Cb 0.65 2.91 -0.00 0.00 -0.74 0.00 0.00 36.82 39.64 3mft h ILE 65 CO 0.04 0.51 -0.13 0.00 0.00 0.00 0.00 178.15 178.57 3mft h HIS 67 N 0.00 0.69 0.05 0.00 -0.00 -1.32 -3.33 115.15 111.24 3mft h HIS 67 Ca -0.00 -0.11 -0.26 0.00 -0.00 0.00 0.00 60.37 59.99 3mft h HIS 67 Cb 0.43 -0.18 -0.02 0.00 -0.00 0.00 0.00 27.41 27.63 3mft h HIS 67 CO 0.00 0.72 -1.31 0.00 -0.00 0.00 0.00 177.93 177.35 3mft h MET 68 N 0.46 0.11 -6.02 5.26 -0.00 -1.50 -3.43 114.93 109.81 3mft h MET 68 Ca 0.11 -0.18 -0.50 0.00 -0.00 0.00 0.00 59.70 59.12 3mft h MET 68 Cb 0.44 0.07 -0.08 0.00 -0.00 0.00 0.00 31.60 32.02 3mft h MET 68 CO 0.02 0.97 1.23 -0.51 -0.00 0.00 0.00 176.91 178.62 3mft s LEU 69 N -6.74 3.36 -0.29 -0.10 1.43 -0.76 -4.95 118.68 110.64 3mft s LEU 69 Ca -0.03 -1.03 -0.07 0.00 -1.03 0.00 0.00 54.13 51.97 3mft s LEU 69 Cb 0.08 -2.56 0.01 0.00 0.03 0.00 0.00 46.19 43.75 3mft s LEU 69 CO 0.84 -1.93 0.08 -0.54 0.23 0.00 0.00 176.35 175.02 3mft s LYS 70 N 5.73 3.12 -0.18 1.70 -0.14 -1.26 -4.79 119.74 123.92 3mft s LYS 70 Ca 0.53 -0.84 -0.19 0.00 -1.36 0.00 0.00 55.97 54.11 3mft s LYS 70 Cb -0.03 -3.36 0.05 0.00 -1.68 0.00 0.00 37.83 32.81 3mft s LYS 70 CO -0.03 -0.43 0.53 -1.58 -0.76 0.00 0.00 175.35 173.08 3mft s HIS 71 N 1.50 -0.56 0.49 3.18 2.46 -1.26 -5.03 115.29 116.06 3mft s HIS 71 Ca 0.03 1.33 0.22 0.00 0.47 0.00 0.00 55.06 57.11 3mft s HIS 71 Cb -0.17 0.21 1.27 0.00 -0.13 0.00 0.00 32.58 33.76 3mft s HIS 71 CO 0.02 -0.31 1.95 -1.35 -2.47 0.00 0.00 174.74 172.58 3mft h PRO 72 N 5.04 0.16 -0.58 2.88 0.11 -2.00 -1.20 132.00 136.41 3mft h PRO 72 Ca -0.28 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.82 3mft h PRO 72 Cb 1.17 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.24 3mft h PRO 72 CO 0.20 0.11 0.00 0.72 -0.21 0.00 0.00 178.00 178.82 3mft n HIS 73 N -4.41 2.07 -4.87 0.65 8.25 -1.26 -4.88 115.22 110.77 3mft n HIS 73 Ca 0.13 -0.73 -0.31 0.00 -0.26 0.00 0.00 57.72 56.55 3mft n HIS 73 Cb 0.62 -0.51 -0.17 0.00 1.12 0.00 0.00 29.99 31.06 3mft n HIS 73 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3mft s ILE 74 N -2.74 1.86 -0.27 1.59 1.01 -0.46 -0.56 121.20 121.63 3mft s ILE 74 Ca 0.55 -0.89 -0.35 0.00 0.00 0.00 0.00 60.65 59.96 3mft s ILE 74 Cb 0.42 -1.64 -0.11 0.00 0.01 0.00 0.00 42.46 41.13 3mft s ILE 74 CO 0.16 0.51 2.09 0.52 0.00 0.00 0.00 174.94 178.23 3mft n VAL 75 N 3.82 0.30 -2.56 2.92 0.31 -0.62 -4.56 118.33 117.93 3mft n VAL 75 Ca -0.20 -0.23 -0.42 0.00 -0.01 0.00 0.00 64.34 63.48 3mft n VAL 75 Cb 0.52 -1.76 -0.03 0.00 -0.91 0.00 0.00 33.84 31.66 3mft n VAL 75 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 3mft s GLU 76 N 5.54 4.50 -0.24 5.55 2.12 -1.26 -4.90 118.70 130.02 3mft s GLU 76 Ca 1.04 1.60 -0.29 0.00 0.36 0.00 0.00 54.97 57.68 3mft s GLU 76 Cb -0.79 -3.40 0.01 0.00 0.26 0.00 0.00 34.13 30.22 3mft s GLU 76 CO 0.50 -0.14 1.05 -1.17 -0.54 0.00 0.00 175.26 174.96 3mft s LEU 77 N 0.94 4.09 -0.19 2.70 2.96 -1.26 -1.89 118.68 126.02 3mft s LEU 77 Ca 0.55 1.36 -0.12 0.00 -0.22 0.00 0.00 54.13 55.70 3mft s LEU 77 Cb -0.25 -3.54 -0.20 0.00 0.50 0.00 0.00 46.19 42.69 3mft s LEU 77 CO 0.29 -0.69 0.12 0.18 -1.32 0.00 0.00 176.35 174.93 3mft n LEU 78 N 6.38 2.30 -3.71 -0.68 4.32 0.13 -4.90 117.00 120.83 3mft n LEU 78 Ca 0.12 0.26 -0.09 0.00 -0.02 0.00 0.00 56.01 56.28 3mft n LEU 78 Cb 0.46 -0.99 -0.02 0.00 -1.62 0.00 0.00 43.42 41.25 3mft n LEU 78 CO 0.53 0.61 0.43 -1.83 -1.22 0.00 0.00 177.39 175.91 3mft s GLU 79 N -2.47 1.59 0.00 3.23 -1.05 -1.16 -5.02 118.70 113.82 3mft s GLU 79 Ca -0.29 -0.82 0.01 0.00 -0.15 0.00 0.00 54.97 53.72 3mft s GLU 79 Cb 0.08 0.59 -0.00 0.00 -0.44 0.00 0.00 34.13 34.36 3mft s GLU 79 CO 0.64 -0.72 -0.04 0.95 0.95 0.00 0.00 175.26 177.04 3mft s THR 80 N -3.86 0.32 0.07 1.83 -4.23 -1.26 -0.67 115.64 107.82 3mft s THR 80 Ca 0.08 -0.23 0.08 0.00 -1.18 0.00 0.00 61.69 60.44 3mft s THR 80 Cb -0.04 -0.28 -0.03 0.00 1.34 0.00 0.00 72.50 73.49 3mft s THR 80 CO -0.00 0.05 -0.23 -0.31 -0.54 0.00 0.00 174.62 173.59 3mft s TYR 81 N -0.19 2.00 -0.56 3.99 1.51 -0.29 -4.98 117.35 118.83 3mft s TYR 81 Ca 0.00 -0.39 0.04 0.00 -1.01 0.00 0.00 57.07 55.71 3mft s TYR 81 Cb -0.02 -1.16 0.15 0.00 -0.11 0.00 0.00 41.96 40.82 3mft s TYR 81 CO -0.00 0.15 0.35 -1.12 -1.11 0.00 0.00 175.55 173.82 3mft s SER 82 N -1.44 4.07 -0.05 2.29 0.01 -1.26 -1.40 113.70 115.93 3mft s SER 82 Ca 0.09 -3.24 0.03 0.00 1.31 0.00 0.00 55.95 54.14 3mft s SER 82 Cb -0.09 -1.38 0.00 0.00 0.21 0.00 0.00 66.02 64.75 3mft s SER 82 CO 0.03 -0.18 -0.15 -0.94 0.41 0.00 0.00 173.24 172.41 3mft s SER 83 N -0.54 1.92 0.00 2.44 1.04 -1.12 -4.82 113.70 112.62 3mft s SER 83 Ca 0.22 -0.32 0.00 0.00 0.48 0.00 0.00 55.95 56.33 3mft s SER 83 Cb -0.15 -0.64 0.00 0.00 0.10 0.00 0.00 66.02 65.33 3mft s SER 83 CO -0.08 0.10 0.00 0.47 0.98 0.00 0.00 173.24 174.71 3mft n ASP 84 N 3.37 -1.87 -1.46 7.02 9.92 -1.26 -3.13 116.55 129.15 3mft n ASP 84 Ca -0.20 0.00 -0.12 0.00 -0.53 0.00 0.00 54.79 53.94 3mft n ASP 84 Cb 0.53 -0.31 -0.00 0.00 -0.64 0.00 0.00 41.12 40.70 3mft n ASP 84 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3mft n GLY 85 N -2.62 -0.10 3.04 0.44 0.00 -1.26 -5.03 105.19 99.65 3mft n GLY 85 Ca 0.00 -0.36 -0.22 0.00 0.00 0.00 0.00 46.02 45.44 3mft n GLY 85 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3mft s MET 86 N -4.72 1.17 -0.21 1.61 1.00 -1.18 -3.17 119.30 113.79 3mft s MET 86 Ca 0.04 -0.39 -0.14 0.00 0.00 0.00 0.00 55.69 55.20 3mft s MET 86 Cb -0.02 -1.07 -0.04 0.00 0.00 0.00 0.00 34.83 33.70 3mft s MET 86 CO 0.04 0.15 0.30 -1.17 0.00 0.00 0.00 175.02 174.35 3mft s LEU 87 N 0.13 4.16 -0.27 -0.03 0.20 -0.58 -2.78 118.68 119.50 3mft s LEU 87 Ca -0.03 0.38 0.00 0.00 0.69 0.00 0.00 54.13 55.17 3mft s LEU 87 Cb -0.09 -2.35 0.05 0.00 -0.43 0.00 0.00 46.19 43.37 3mft s LEU 87 CO 0.01 0.00 -0.06 -0.31 -0.29 0.00 0.00 176.35 175.70 3mft s TYR 88 N 1.08 3.22 -0.38 5.38 1.51 -0.49 -0.92 117.35 126.75 3mft s TYR 88 Ca 0.15 -1.99 -0.12 0.00 -1.01 0.00 0.00 57.07 54.10 3mft s TYR 88 Cb -0.14 -2.02 0.02 0.00 -0.11 0.00 0.00 41.96 39.71 3mft s TYR 88 CO 0.06 -0.82 0.22 -1.64 -1.11 0.00 0.00 175.55 172.26 3mft s MET 89 N 1.21 2.87 -0.36 -0.62 -1.94 -0.51 -1.14 119.30 118.81 3mft s MET 89 Ca -0.06 -1.05 -0.24 0.00 -1.71 0.00 0.00 55.69 52.64 3mft s MET 89 Cb -0.19 -3.76 0.01 0.00 2.01 0.00 0.00 34.83 32.89 3mft s MET 89 CO -0.03 -0.69 0.81 0.08 -0.01 0.00 0.00 175.02 175.17 3mft s VAL 90 N 1.58 4.72 0.30 -6.03 1.01 0.15 -0.86 120.40 121.26 3mft s VAL 90 Ca 0.03 0.98 0.07 0.00 0.00 0.00 0.00 61.98 63.05 3mft s VAL 90 Cb -0.19 -4.22 -0.03 0.00 0.00 0.00 0.00 36.38 31.94 3mft s VAL 90 CO 0.07 -0.42 0.26 -0.36 0.00 0.00 0.00 175.10 174.65 3mft s PHE 91 N 3.14 3.03 0.63 5.22 0.40 0.17 0.20 117.98 130.77 3mft s PHE 91 Ca 0.33 -0.20 -0.18 0.00 -0.60 0.00 0.00 56.93 56.27 3mft s PHE 91 Cb -0.13 -1.63 -0.02 0.00 0.51 0.00 0.00 43.02 41.75 3mft s PHE 91 CO 0.17 0.33 1.25 -1.83 0.70 0.00 0.00 175.22 175.83 3mft s GLU 92 N -3.94 2.72 -0.02 0.44 -1.05 -0.79 -1.53 118.70 114.54 3mft s GLU 92 Ca 0.37 1.93 -0.20 0.00 -0.15 0.00 0.00 54.97 56.92 3mft s GLU 92 Cb -0.07 -1.88 -0.05 0.00 -0.44 0.00 0.00 34.13 31.68 3mft s GLU 92 CO 0.26 -1.43 0.59 0.12 0.95 0.00 0.00 175.26 175.75 3mft s PHE 93 N -1.54 3.66 -0.36 4.83 5.36 -1.26 -4.25 117.98 124.42 3mft s PHE 93 Ca 0.79 1.17 -0.09 0.00 -0.96 0.00 0.00 56.93 57.84 3mft s PHE 93 Cb -0.33 -2.61 0.03 0.00 -0.34 0.00 0.00 43.02 39.77 3mft s PHE 93 CO 0.37 0.33 0.17 -1.64 -1.46 0.00 0.00 175.22 172.98 3mft s MET 94 N -0.09 2.74 0.00 10.12 -1.94 -1.26 -4.93 119.30 123.95 3mft s MET 94 Ca 0.31 -1.12 0.29 0.00 -1.71 0.00 0.00 55.69 53.46 3mft s MET 94 Cb -0.18 -3.63 1.60 0.00 2.01 0.00 0.00 34.83 34.64 3mft s MET 94 CO 0.17 -0.69 2.06 -3.47 -0.01 0.00 0.00 175.02 173.07 3mft n ASP 95 N 4.92 0.00 -4.87 3.03 4.64 -0.55 -4.78 116.55 118.95 3mft n ASP 95 Ca -0.12 -0.48 -0.23 0.00 -1.38 0.00 0.00 54.79 52.58 3mft n ASP 95 Cb 0.45 -0.16 -0.04 0.00 -1.04 0.00 0.00 41.12 40.33 3mft n ASP 95 CO 0.00 0.00 0.00 -0.83 -0.82 0.00 0.00 177.20 175.55 3mft s GLY 96 N -2.32 1.47 0.85 0.27 0.00 -0.39 -4.14 107.32 103.06 3mft s GLY 96 Ca 0.35 -1.28 -0.10 0.00 0.00 0.00 0.00 44.72 43.70 3mft s GLY 96 CO 0.40 -1.30 1.17 0.00 0.00 0.00 0.00 173.10 173.37 3mft s ALA 97 N -1.96 2.86 0.79 3.20 0.00 -1.26 -4.48 121.76 120.90 3mft s ALA 97 Ca 0.33 -1.36 -0.14 0.00 0.00 0.00 0.00 51.96 50.80 3mft s ALA 97 Cb -0.09 -2.49 0.07 0.00 0.00 0.00 0.00 23.12 20.62 3mft s ALA 97 CO 0.26 -1.97 1.20 0.16 0.00 0.00 0.00 175.76 175.41 3mft s ASP 98 N -4.80 3.75 0.49 0.00 3.84 -1.26 -2.82 116.67 115.87 3mft s ASP 98 Ca 0.70 2.35 0.15 0.00 -0.00 0.00 0.00 52.55 55.75 3mft s ASP 98 Cb -0.05 -2.59 1.17 0.00 -1.38 0.00 0.00 42.92 40.07 3mft s ASP 98 CO 0.49 -2.56 2.08 0.17 -0.00 0.00 0.00 175.17 175.35 3mft h LEU 99 N -0.76 0.16 -0.47 2.11 8.10 -1.22 -1.69 115.31 121.53 3mft h LEU 99 Ca -0.46 -0.00 -0.17 0.00 0.11 0.00 0.00 57.88 57.35 3mft h LEU 99 Cb 1.29 -0.04 -0.01 0.00 -0.44 0.00 0.00 40.66 41.47 3mft h LEU 99 CO 0.47 0.11 -0.65 0.00 -4.11 0.00 0.00 178.44 174.26 3mft h PHE 101 N 0.33 0.67 0.00 0.00 0.04 -1.78 -3.25 116.94 112.94 3mft h PHE 101 Ca -0.01 -0.13 -0.10 0.00 2.80 0.00 0.00 57.97 60.53 3mft h PHE 101 Cb 1.20 -0.17 -0.01 0.00 2.20 0.00 0.00 35.95 39.17 3mft h PHE 101 CO 0.04 0.74 -0.49 0.93 -0.60 0.00 0.00 178.31 178.94 3mft h GLU 102 N 0.40 0.00 -0.74 1.51 4.39 -1.24 -2.87 114.58 116.02 3mft h GLU 102 Ca 0.09 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.77 3mft h GLU 102 Cb 0.50 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.11 3mft h GLU 102 CO 0.02 0.49 0.39 0.82 -1.16 0.00 0.00 179.01 179.57 3mft h ILE 103 N 0.00 1.23 -0.44 3.13 2.04 -1.22 0.21 117.51 122.46 3mft h ILE 103 Ca -0.00 -0.61 -0.10 0.00 1.00 0.00 0.00 64.86 65.14 3mft h ILE 103 Cb 0.87 0.27 -0.01 0.00 -0.74 0.00 0.00 36.82 37.21 3mft h ILE 103 CO 0.06 0.26 -0.13 0.58 0.00 0.00 0.00 178.15 178.93 3mft h VAL 104 N 1.03 1.27 -0.36 1.67 2.07 -1.59 -1.55 116.25 118.80 3mft h VAL 104 Ca 0.26 -1.25 0.04 0.00 0.82 0.00 0.00 66.70 66.58 3mft h VAL 104 Cb 0.07 1.17 -0.04 0.00 -1.52 0.00 0.00 31.29 30.97 3mft h VAL 104 CO -0.04 0.42 0.12 0.11 0.02 0.00 0.00 177.57 178.20 3mft h LYS 105 N 0.69 0.25 -0.22 1.57 1.57 -1.27 0.11 116.57 119.28 3mft h LYS 105 Ca 0.11 -0.02 0.06 0.00 -1.87 0.00 0.00 60.65 58.93 3mft h LYS 105 Cb 0.67 -0.06 -0.07 0.00 0.08 0.00 0.00 32.23 32.85 3mft h LYS 105 CO 0.05 0.17 -0.32 -0.09 -0.57 0.00 0.00 179.45 178.69 3mft h ARG 106 N 0.26 -0.33 -0.75 3.15 2.43 -0.35 -0.34 114.38 118.46 3mft h ARG 106 Ca 0.17 0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.36 3mft h ARG 106 Cb 0.15 0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 29.74 3mft h ARG 106 CO -0.18 -0.22 0.46 0.00 -1.51 0.00 0.00 179.97 178.52 3mft h ALA 107 N 0.55 0.95 0.00 2.80 0.00 -0.93 -2.24 119.26 120.39 3mft h ALA 107 Ca 0.12 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 3mft h ALA 107 Cb 0.54 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 3mft h ALA 107 CO -0.41 0.41 -0.14 -0.44 0.00 0.00 0.00 179.25 178.67 3mft h ASP 108 N 1.02 0.00 -0.00 0.00 3.45 -0.48 -1.77 116.42 118.64 3mft h ASP 108 Ca 0.27 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.73 3mft h ASP 108 Cb -0.05 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.72 3mft h ASP 108 CO -0.05 0.14 0.00 0.00 -1.57 0.00 0.00 179.24 177.76 3mft n ALA 109 N -2.18 2.64 -0.48 3.45 0.00 -0.16 -4.88 120.51 118.89 3mft n ALA 109 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.29 3mft n ALA 109 Cb 0.37 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.44 3mft n ALA 109 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3mft n GLY 110 N 0.87 0.76 3.89 0.00 0.00 -0.66 -5.08 105.19 104.96 3mft n GLY 110 Ca 0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 3mft n GLY 110 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3mft s PHE 111 N -2.19 3.46 -0.02 1.61 0.40 -0.89 -5.02 117.98 115.33 3mft s PHE 111 Ca 0.00 0.82 -0.30 0.00 -0.60 0.00 0.00 56.93 56.85 3mft s PHE 111 Cb 0.00 -2.25 -0.04 0.00 0.51 0.00 0.00 43.02 41.24 3mft s PHE 111 CO 0.00 0.11 1.20 0.08 0.70 0.00 0.00 175.22 177.31 3mft s VAL 112 N -2.10 4.20 -0.29 -0.44 1.01 -1.26 -4.14 120.40 117.36 3mft s VAL 112 Ca 0.47 1.55 -0.09 0.00 0.00 0.00 0.00 61.98 63.91 3mft s VAL 112 Cb -0.11 -3.99 -0.01 0.00 0.00 0.00 0.00 36.38 32.27 3mft s VAL 112 CO 0.28 0.04 0.12 -0.47 0.00 0.00 0.00 175.10 175.07 3mft s TYR 113 N 1.85 3.15 0.32 5.22 6.14 -1.26 -4.94 117.35 127.83 3mft s TYR 113 Ca 0.57 -0.60 0.05 0.00 0.64 0.00 0.00 57.07 57.73 3mft s TYR 113 Cb -0.26 -2.31 -0.02 0.00 0.42 0.00 0.00 41.96 39.79 3mft s TYR 113 CO 0.24 -0.45 0.18 -1.13 0.64 0.00 0.00 175.55 175.03 3mft n SER 114 N 4.95 0.43 0.03 4.32 3.41 -1.26 -0.61 113.62 124.89 3mft n SER 114 Ca -0.14 -2.88 0.03 0.00 -0.26 0.00 0.00 58.87 55.61 3mft n SER 114 Cb 0.49 1.12 0.39 0.00 -0.26 0.00 0.00 64.21 65.96 3mft n SER 114 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 3mft h GLU 115 N 0.00 0.47 -0.58 4.33 5.08 -1.70 -2.19 114.58 119.99 3mft h GLU 115 Ca -0.24 -0.06 0.01 0.00 -1.00 0.00 0.00 59.36 58.07 3mft h GLU 115 Cb 1.04 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 30.17 3mft h GLU 115 CO 0.38 0.40 0.38 0.00 -1.00 0.00 0.00 179.01 179.16 3mft h ALA 116 N 1.67 0.74 0.32 3.43 0.00 -1.72 0.40 119.26 124.10 3mft h ALA 116 Ca 0.12 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 3mft h ALA 116 Cb 0.12 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.70 3mft h ALA 116 CO -0.01 0.14 -0.15 0.28 0.00 0.00 0.00 179.25 179.51 3mft h VAL 117 N 0.76 0.70 -0.99 0.00 2.07 -1.81 -1.76 116.25 115.21 3mft h VAL 117 Ca 0.22 -0.12 0.05 0.00 0.82 0.00 0.00 66.70 67.67 3mft h VAL 117 Cb -0.05 0.76 -0.06 0.00 -1.52 0.00 0.00 31.29 30.42 3mft h VAL 117 CO -0.06 0.03 0.64 0.00 0.02 0.00 0.00 177.57 178.19 3mft h ALA 118 N 0.16 1.34 -0.59 1.67 0.00 -0.96 -2.29 119.26 118.60 3mft h ALA 118 Ca -0.04 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 3mft h ALA 118 Cb 0.37 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 3mft h ALA 118 CO 0.07 0.48 0.26 1.03 0.00 0.00 0.00 179.25 181.10 3mft h SER 119 N 1.21 0.78 -0.30 0.00 0.87 -0.11 -0.69 113.55 115.32 3mft h SER 119 Ca 0.41 -0.15 -0.10 0.00 -1.23 0.00 0.00 61.79 60.72 3mft h SER 119 Cb 0.09 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 61.83 3mft h SER 119 CO -0.15 0.72 -0.16 -0.74 -0.53 0.00 0.00 176.83 175.97 3mft h HIS 120 N 0.80 0.83 -0.25 2.24 2.76 -0.77 0.77 115.15 121.53 3mft h HIS 120 Ca 0.20 -0.16 -0.05 0.00 -2.20 0.00 0.00 60.37 58.16 3mft h HIS 120 Cb 0.15 -0.21 -0.01 0.00 1.55 0.00 0.00 27.41 28.90 3mft h HIS 120 CO 0.00 0.85 -0.03 1.88 -1.30 0.00 0.00 177.93 179.33 3mft h TYR 121 N 0.67 0.51 -0.64 5.26 0.99 -1.32 -3.11 116.97 119.33 3mft h TYR 121 Ca 0.11 -0.10 0.02 0.00 2.00 0.00 0.00 58.73 60.75 3mft h TYR 121 Cb 0.64 -0.13 -0.04 0.00 1.00 0.00 0.00 36.73 38.21 3mft h TYR 121 CO 0.03 0.66 0.41 1.98 -0.00 0.00 0.00 178.16 181.24 3mft h MET 122 N 0.21 0.80 -0.69 4.88 4.05 -0.77 -2.11 114.93 121.31 3mft h MET 122 Ca 0.07 -0.05 0.06 0.00 -0.28 0.00 0.00 59.70 59.50 3mft h MET 122 Cb 0.48 -0.18 -0.06 0.00 -0.80 0.00 0.00 31.60 31.04 3mft h MET 122 CO 0.02 0.53 0.38 -0.09 0.23 0.00 0.00 176.91 177.98 3mft h ARG 123 N 0.82 0.67 -0.38 0.39 2.43 -0.89 -1.44 114.38 115.98 3mft h ARG 123 Ca 0.25 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.35 3mft h ARG 123 Cb -0.03 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.35 3mft h ARG 123 CO -0.08 0.45 0.12 1.96 -1.51 0.00 0.00 179.97 180.90 3mft h GLN 124 N 0.69 0.60 -0.69 0.20 4.20 -1.34 0.32 115.11 119.10 3mft h GLN 124 Ca 0.31 -0.13 0.04 0.00 0.06 0.00 0.00 58.65 58.92 3mft h GLN 124 Cb 0.21 -0.09 -0.05 0.00 0.30 0.00 0.00 27.48 27.86 3mft h GLN 124 CO -0.19 0.61 0.42 0.82 -0.67 0.00 0.00 178.83 179.82 3mft h ILE 125 N 0.48 1.06 -0.30 2.54 2.04 -1.13 -2.12 117.51 120.07 3mft h ILE 125 Ca 0.12 -0.28 -0.11 0.00 1.00 0.00 0.00 64.86 65.59 3mft h ILE 125 Cb 0.27 0.18 -0.01 0.00 -0.74 0.00 0.00 36.82 36.52 3mft h ILE 125 CO -0.00 0.15 -0.25 -0.07 0.00 0.00 0.00 178.15 177.97 3mft h LEU 126 N 0.81 0.74 -0.76 1.44 3.38 -0.91 -2.03 115.31 117.98 3mft h LEU 126 Ca 0.28 -0.45 0.17 0.00 0.09 0.00 0.00 57.88 57.97 3mft h LEU 126 Cb 0.06 -0.21 -0.12 0.00 0.09 0.00 0.00 40.66 40.49 3mft h LEU 126 CO -0.13 1.04 0.18 -0.33 0.09 0.00 0.00 178.44 179.30 3mft h GLU 127 N 0.45 0.25 -0.53 1.13 5.08 -0.21 0.35 114.58 121.12 3mft h GLU 127 Ca 0.05 -0.02 -0.09 0.00 -1.00 0.00 0.00 59.36 58.31 3mft h GLU 127 Cb 0.81 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.99 3mft h GLU 127 CO 0.07 0.17 -0.02 0.00 -1.00 0.00 0.00 179.01 178.22 3mft h ALA 128 N 1.64 0.98 -0.08 3.43 0.00 -1.24 -2.76 119.26 121.23 3mft h ALA 128 Ca 0.44 -0.29 -0.17 0.00 0.00 0.00 0.00 54.91 54.88 3mft h ALA 128 Cb 0.77 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 3mft h ALA 128 CO -0.54 0.62 -0.69 -0.07 0.00 0.00 0.00 179.25 178.58 3mft h LEU 129 N 0.83 0.40 -0.32 0.00 3.38 -0.54 -1.79 115.31 117.27 3mft h LEU 129 Ca 0.15 -0.25 0.02 0.00 0.09 0.00 0.00 57.88 57.89 3mft h LEU 129 Cb 0.52 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.13 3mft h LEU 129 CO 0.03 0.96 0.17 -0.09 0.09 0.00 0.00 178.44 179.60 3mft h ARG 130 N 0.24 0.34 -0.37 1.13 2.43 -0.28 0.28 114.38 118.14 3mft h ARG 130 Ca -0.02 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 3mft h ARG 130 Cb 1.24 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 30.69 3mft h ARG 130 CO 0.11 0.22 0.25 -0.92 -1.51 0.00 0.00 179.97 178.12 3mft h TYR 131 N 0.35 0.47 -0.14 2.20 3.20 -1.35 0.40 116.97 122.09 3mft h TYR 131 Ca 0.13 0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.05 3mft h TYR 131 Cb 0.04 -0.16 -0.04 0.00 1.54 0.00 0.00 36.73 38.11 3mft h TYR 131 CO -0.09 0.30 -0.11 0.00 -1.64 0.00 0.00 178.16 176.62 3mft h HIS 133 N -0.12 0.47 -0.81 0.00 3.86 -0.17 -0.37 115.15 118.01 3mft h HIS 133 Ca 0.09 -0.07 0.10 0.00 -1.16 0.00 0.00 60.37 59.33 3mft h HIS 133 Cb 0.25 -0.13 -0.06 0.00 1.06 0.00 0.00 27.41 28.53 3mft h HIS 133 CO -0.24 0.55 0.53 -0.44 0.86 0.00 0.00 177.93 179.19 3mft h ASP 134 N 0.41 0.67 -0.51 2.45 3.45 -0.03 -1.58 116.42 121.28 3mft h ASP 134 Ca 0.08 0.02 0.00 0.00 0.43 0.00 0.00 57.03 57.56 3mft h ASP 134 Cb 0.46 -0.12 0.00 0.00 -0.56 0.00 0.00 39.33 39.10 3mft h ASP 134 CO 0.03 0.40 0.00 0.59 -1.57 0.00 0.00 179.24 178.68 3mft n ASN 135 N -4.51 4.73 -2.67 6.45 3.02 -0.64 -4.95 115.26 116.68 3mft n ASN 135 Ca 0.14 -2.65 -0.20 0.00 -0.03 0.00 0.00 54.58 51.84 3mft n ASN 135 Cb 0.33 -0.62 0.00 0.00 -0.61 0.00 0.00 39.78 38.89 3mft n ASN 135 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3mft n ASN 136 N 0.66 -5.37 -4.42 6.41 3.02 -0.60 -4.90 115.26 110.06 3mft n ASN 136 Ca 0.23 -0.08 -0.34 0.00 -0.03 0.00 0.00 54.58 54.36 3mft n ASN 136 Cb 0.96 -4.44 -0.13 0.00 -0.61 0.00 0.00 39.78 35.56 3mft n ASN 136 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3mft s ILE 137 N -2.98 3.64 -0.11 2.41 1.01 -0.24 -0.11 121.20 124.82 3mft s ILE 137 Ca 0.12 -0.43 -0.04 0.00 0.00 0.00 0.00 60.65 60.30 3mft s ILE 137 Cb -0.06 -2.61 -0.04 0.00 0.01 0.00 0.00 42.46 39.77 3mft s ILE 137 CO 0.15 0.47 0.06 0.27 0.00 0.00 0.00 174.94 175.89 3mft s ILE 138 N 0.75 4.84 -0.09 2.92 -4.36 -0.66 -3.61 121.20 121.00 3mft s ILE 138 Ca -0.02 -0.04 -0.28 0.00 -0.26 0.00 0.00 60.65 60.05 3mft s ILE 138 Cb -0.15 -3.08 -0.24 0.00 1.25 0.00 0.00 42.46 40.25 3mft s ILE 138 CO 0.02 0.60 0.97 -0.74 0.24 0.00 0.00 174.94 176.03 3mft h HIS 139 N 5.22 -0.00 0.00 1.37 -0.00 -1.92 -1.78 115.15 118.04 3mft h HIS 139 Ca -0.51 -0.00 0.00 0.00 -0.00 0.00 0.00 60.37 59.86 3mft h HIS 139 Cb 1.21 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.62 3mft h HIS 139 CO 0.68 0.78 0.00 0.54 -0.00 0.00 0.00 177.93 179.93 3mft n ARG 140 N -4.71 -0.35 -2.79 5.26 1.74 -1.26 -3.05 116.66 111.51 3mft n ARG 140 Ca -0.09 0.09 -0.01 0.00 -0.77 0.00 0.00 57.85 57.06 3mft n ARG 140 Cb 0.38 -3.38 0.07 0.00 -1.02 0.00 0.00 32.46 28.51 3mft n ARG 140 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3mft n ASP 141 N -0.17 0.71 -4.62 0.55 2.03 -1.26 -4.24 116.55 109.55 3mft n ASP 141 Ca 0.00 -2.11 -0.43 0.00 0.52 0.00 0.00 54.79 52.77 3mft n ASP 141 Cb 0.09 -0.15 -0.02 0.00 -0.72 0.00 0.00 41.12 40.31 3mft n ASP 141 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 3mft s VAL 142 N -2.68 3.72 0.19 5.18 1.01 -1.26 -4.86 120.40 121.70 3mft s VAL 142 Ca 0.22 0.78 -0.19 0.00 0.00 0.00 0.00 61.98 62.79 3mft s VAL 142 Cb 0.36 -3.81 0.04 0.00 0.00 0.00 0.00 36.38 32.96 3mft s VAL 142 CO -0.06 -0.41 0.55 -1.59 0.00 0.00 0.00 175.10 173.58 3mft s LYS 143 N 4.90 1.37 0.27 2.72 -2.85 -1.26 -4.64 119.74 120.26 3mft s LYS 143 Ca 0.70 -0.78 0.01 0.00 -1.00 0.00 0.00 55.97 54.90 3mft s LYS 143 Cb -0.22 0.54 0.60 0.00 -2.06 0.00 0.00 37.83 36.69 3mft s LYS 143 CO 0.30 -0.59 1.76 -1.35 0.10 0.00 0.00 175.35 175.57 3mft h PRO 144 N 2.15 0.60 -0.02 1.78 0.11 -1.93 -2.17 132.00 132.53 3mft h PRO 144 Ca -0.29 -0.04 0.01 0.00 0.11 0.00 0.00 66.00 65.79 3mft h PRO 144 Cb 1.27 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 32.24 3mft h PRO 144 CO 0.37 0.40 0.20 0.93 -0.21 0.00 0.00 178.00 179.69 3mft h GLU 145 N 0.62 0.00 -0.13 1.05 3.07 -1.97 -1.30 114.58 115.93 3mft h GLU 145 Ca 0.50 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.36 3mft h GLU 145 Cb 0.76 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.67 3mft h GLU 145 CO -0.39 0.00 0.00 0.09 -1.40 0.00 0.00 179.01 177.31 3mft n ASN 146 N -3.06 2.80 -4.06 1.42 3.02 -0.82 -4.82 115.26 109.75 3mft n ASN 146 Ca -0.02 -1.85 -0.32 0.00 -0.03 0.00 0.00 54.58 52.36 3mft n ASN 146 Cb 0.26 -0.07 -0.15 0.00 -0.61 0.00 0.00 39.78 39.21 3mft n ASN 146 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3mft s VAL 147 N -1.52 2.04 0.09 2.41 1.01 -0.49 -1.40 120.40 122.55 3mft s VAL 147 Ca 0.26 -1.41 0.10 0.00 0.00 0.00 0.00 61.98 60.93 3mft s VAL 147 Cb 0.17 -2.10 -0.04 0.00 0.00 0.00 0.00 36.38 34.41 3mft s VAL 147 CO 0.25 0.09 -0.24 -0.76 0.00 0.00 0.00 175.10 174.45 3mft s LEU 148 N 1.19 2.39 0.20 3.92 1.43 -0.88 -0.94 118.68 125.99 3mft s LEU 148 Ca -0.05 -0.63 -0.30 0.00 -1.03 0.00 0.00 54.13 52.12 3mft s LEU 148 Cb -0.18 -1.34 -0.08 0.00 0.03 0.00 0.00 46.19 44.62 3mft s LEU 148 CO -0.07 0.21 1.12 -0.76 0.23 0.00 0.00 176.35 177.08 3mft s LEU 149 N -1.77 4.49 0.52 1.79 1.02 -1.13 -0.58 118.68 123.02 3mft s LEU 149 Ca 0.14 2.15 0.24 0.00 0.02 0.00 0.00 54.13 56.69 3mft s LEU 149 Cb -0.10 -3.61 1.43 0.00 0.02 0.00 0.00 46.19 43.93 3mft s LEU 149 CO 0.06 -0.24 2.10 0.00 0.02 0.00 0.00 176.35 178.29 3mft h ALA 150 N 4.92 1.48 -2.96 4.21 0.00 -1.50 -1.02 119.26 124.39 3mft h ALA 150 Ca -0.45 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 54.39 3mft h ALA 150 Cb 1.21 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.93 3mft h ALA 150 CO 0.72 0.12 0.14 -1.54 0.00 0.00 0.00 179.25 178.69 3mft s SER 151 N -6.40 -0.15 -1.36 0.00 1.04 -1.26 -1.48 113.70 104.09 3mft s SER 151 Ca -0.04 -0.78 -0.10 0.00 0.48 0.00 0.00 55.95 55.51 3mft s SER 151 Cb 0.14 0.71 0.11 0.00 0.10 0.00 0.00 66.02 67.08 3mft s SER 151 CO 0.61 -1.34 2.13 0.29 0.98 0.00 0.00 173.24 175.90 3mft n LYS 152 N -0.45 3.63 -4.10 4.02 5.02 -1.26 -4.39 118.16 120.63 3mft n LYS 152 Ca -0.04 -3.20 -0.14 0.00 -2.02 0.00 0.00 58.31 52.91 3mft n LYS 152 Cb 0.60 -2.94 -0.11 0.00 -0.02 0.00 0.00 35.03 32.55 3mft n LYS 152 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3mft s GLU 153 N 0.88 0.62 0.38 1.97 2.02 -1.26 -5.04 118.70 118.27 3mft s GLU 153 Ca 0.46 -0.83 0.10 0.00 0.02 0.00 0.00 54.97 54.71 3mft s GLU 153 Cb 0.13 -0.44 0.74 0.00 0.10 0.00 0.00 34.13 34.66 3mft s GLU 153 CO -0.04 0.08 1.88 -0.91 0.02 0.00 0.00 175.26 176.30 3mft h ASN 154 N 4.38 0.20 -0.68 -0.19 2.35 -2.01 -2.98 115.58 116.65 3mft h ASN 154 Ca -0.37 -0.05 0.00 0.00 -0.55 0.00 0.00 56.30 55.33 3mft h ASN 154 Cb 1.20 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 39.52 3mft h ASN 154 CO 0.41 0.41 0.00 -1.54 -1.65 0.00 0.00 177.43 175.06 3mft n SER 155 N -4.23 4.33 -4.73 5.81 3.41 -1.26 -4.98 113.62 111.97 3mft n SER 155 Ca -0.01 -2.23 -0.41 0.00 -0.26 0.00 0.00 58.87 55.96 3mft n SER 155 Cb 0.31 -0.53 -0.03 0.00 -0.26 0.00 0.00 64.21 63.70 3mft n SER 155 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3mft s ALA 156 N -1.43 3.54 0.62 7.33 0.00 -1.13 -5.00 121.76 125.70 3mft s ALA 156 Ca 0.49 1.13 -0.19 0.00 0.00 0.00 0.00 51.96 53.39 3mft s ALA 156 Cb 0.29 -3.50 -0.02 0.00 0.00 0.00 0.00 23.12 19.89 3mft s ALA 156 CO 0.28 -0.56 1.29 -0.35 0.00 0.00 0.00 175.76 176.42 3mft n PRO 157 N 2.78 1.23 -3.77 0.00 -0.04 -1.26 -4.72 135.00 129.22 3mft n PRO 157 Ca 0.07 0.47 -0.27 0.00 -0.04 0.00 0.00 63.50 63.73 3mft n PRO 157 Cb 0.42 -2.52 -0.03 0.00 -0.04 0.00 0.00 33.50 31.33 3mft n PRO 157 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3mft s VAL 158 N -1.37 5.24 -0.01 0.52 -7.23 -1.26 -1.34 120.40 114.95 3mft s VAL 158 Ca 0.80 -0.47 0.01 0.00 -1.81 0.00 0.00 61.98 60.51 3mft s VAL 158 Cb -0.39 -3.74 0.00 0.00 0.56 0.00 0.00 36.38 32.81 3mft s VAL 158 CO 0.42 -0.16 -0.02 -0.54 -0.31 0.00 0.00 175.10 174.50 3mft s LYS 159 N -3.32 0.23 -0.04 4.82 1.02 0.26 -4.70 119.74 118.00 3mft s LYS 159 Ca 0.37 -0.05 -0.26 0.00 0.02 0.00 0.00 55.97 56.05 3mft s LYS 159 Cb -0.11 -0.26 -0.03 0.00 -0.52 0.00 0.00 37.83 36.90 3mft s LYS 159 CO 0.29 0.01 0.82 -1.17 -0.92 0.00 0.00 175.35 174.38 3mft s LEU 160 N 0.19 4.33 0.00 3.17 2.96 0.27 -2.08 118.68 127.53 3mft s LEU 160 Ca -0.02 1.38 0.00 0.00 -0.22 0.00 0.00 54.13 55.27 3mft s LEU 160 Cb -0.04 -3.28 0.00 0.00 0.50 0.00 0.00 46.19 43.37 3mft s LEU 160 CO -0.01 -0.18 0.00 0.61 -1.32 0.00 0.00 176.35 175.46 3mft n GLY 161 N 3.03 6.02 3.42 7.98 0.00 -0.49 -1.60 105.19 123.55 3mft n GLY 161 Ca 0.02 -1.61 -0.31 0.00 0.00 0.00 0.00 46.02 44.12 3mft n GLY 161 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3mft n ASP 162 N 0.00 -5.92 -1.77 1.61 2.03 -1.26 -4.89 116.55 106.35 3mft n ASP 162 Ca 0.00 -0.14 -0.13 0.00 0.52 0.00 0.00 54.79 55.04 3mft n ASP 162 Cb 0.00 -2.43 0.14 0.00 -0.72 0.00 0.00 41.12 38.11 3mft n ASP 162 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 3mft n PHE 163 N -0.56 1.96 -0.25 -0.67 3.01 -1.26 -4.61 117.46 115.08 3mft n PHE 163 Ca -0.08 -1.27 0.14 0.00 1.01 0.00 0.00 57.45 57.25 3mft n PHE 163 Cb 0.64 -0.67 0.42 0.00 -0.01 0.00 0.00 39.48 39.86 3mft n PHE 163 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 3mft h GLY 164 N 2.33 1.10 -0.90 1.37 0.00 -1.91 -2.43 103.07 102.63 3mft h GLY 164 Ca 0.37 -0.26 0.00 0.00 0.00 0.00 0.00 47.33 47.44 3mft h GLY 164 CO 0.68 0.05 0.00 3.33 0.00 0.00 0.00 176.54 180.61 3mft n VAL 165 N -4.55 0.86 -1.71 4.60 0.24 -1.26 -4.93 118.33 111.57 3mft n VAL 165 Ca 0.18 -0.93 -0.36 0.00 -2.04 0.00 0.00 64.34 61.19 3mft n VAL 165 Cb 0.54 0.60 0.07 0.00 -1.47 0.00 0.00 33.84 33.57 3mft n VAL 165 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3mft s ALA 166 N -0.96 2.34 -0.04 2.33 0.00 -0.92 -4.78 121.76 119.74 3mft s ALA 166 Ca 0.16 1.11 -0.13 0.00 0.00 0.00 0.00 51.96 53.10 3mft s ALA 166 Cb 0.09 -3.52 0.02 0.00 0.00 0.00 0.00 23.12 19.71 3mft s ALA 166 CO 0.11 -1.60 0.29 -1.50 0.00 0.00 0.00 175.76 173.06 3mft s ILE 167 N -1.56 0.05 0.00 0.00 2.07 -0.67 -4.85 121.20 116.24 3mft s ILE 167 Ca 0.80 -0.39 -0.25 0.00 -1.41 0.00 0.00 60.65 59.40 3mft s ILE 167 Cb -0.35 -0.55 -0.05 0.00 0.13 0.00 0.00 42.46 41.65 3mft s ILE 167 CO 0.40 -0.21 0.75 -1.58 -1.91 0.00 0.00 174.94 172.39 3mft s GLN 168 N -0.98 4.47 0.33 3.50 0.74 -1.26 -1.65 119.66 124.82 3mft s GLN 168 Ca -0.10 1.01 -0.19 0.00 0.05 0.00 0.00 55.36 56.13 3mft s GLN 168 Cb -0.05 -3.40 -0.10 0.00 1.10 0.00 0.00 33.01 30.57 3mft s GLN 168 CO 0.03 0.20 0.83 -0.51 -0.55 0.00 0.00 175.29 175.28 3mft s LEU 169 N 0.28 4.12 0.00 3.68 1.43 0.85 -4.99 118.68 124.06 3mft s LEU 169 Ca 0.39 1.51 0.00 0.00 -1.03 0.00 0.00 54.13 55.00 3mft s LEU 169 Cb -0.20 -4.11 0.00 0.00 0.03 0.00 0.00 46.19 41.92 3mft s LEU 169 CO 0.21 -0.18 0.00 0.61 0.23 0.00 0.00 176.35 177.22 3mft n GLY 170 N -0.09 1.04 0.32 -3.19 0.00 -1.26 -4.92 105.19 97.09 3mft n GLY 170 Ca 0.03 -1.90 0.02 0.00 0.00 0.00 0.00 46.02 44.16 3mft n GLY 170 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3mft h GLU 171 N 0.00 0.73 0.00 1.61 4.81 -1.99 -1.62 114.58 118.12 3mft h GLU 171 Ca 0.00 -0.06 -0.04 0.00 -0.13 0.00 0.00 59.36 59.12 3mft h GLU 171 Cb 0.00 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.22 3mft h GLU 171 CO 0.00 0.52 -0.21 0.66 -0.73 0.00 0.00 179.01 179.25 3mft h SER 172 N 0.74 0.00 0.00 1.04 4.64 -2.04 -3.46 113.55 114.47 3mft h SER 172 Ca 0.19 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 3mft h SER 172 Cb -0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.08 3mft h SER 172 CO -0.03 0.21 0.00 0.61 -0.87 0.00 0.00 176.83 176.75 3mft n GLY 173 N -0.55 0.64 3.17 -0.77 0.00 -0.61 -5.05 105.19 102.02 3mft n GLY 173 Ca -0.02 -0.05 -0.18 0.00 0.00 0.00 0.00 46.02 45.77 3mft n GLY 173 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3mft s LEU 174 N 0.00 2.29 0.09 0.99 1.43 -1.26 -4.34 118.68 117.88 3mft s LEU 174 Ca 0.00 -0.64 0.09 0.00 -1.03 0.00 0.00 54.13 52.55 3mft s LEU 174 Cb 0.00 -0.49 -0.03 0.00 0.03 0.00 0.00 46.19 45.70 3mft s LEU 174 CO 0.00 -0.10 -0.24 0.68 0.23 0.00 0.00 176.35 176.92 3mft s VAL 175 N -1.41 1.95 0.32 -1.59 -7.23 0.11 -4.47 120.40 108.08 3mft s VAL 175 Ca -0.01 -1.50 0.03 0.00 -1.81 0.00 0.00 61.98 58.69 3mft s VAL 175 Cb -0.09 -1.72 0.06 0.00 0.56 0.00 0.00 36.38 35.18 3mft s VAL 175 CO 0.02 0.13 0.44 0.00 -0.31 0.00 0.00 175.10 175.38 3mft n ALA 176 N 1.34 0.44 0.00 1.32 0.00 -1.26 -0.78 120.51 121.57 3mft n ALA 176 Ca -0.18 -1.04 0.00 0.00 0.00 0.00 0.00 53.44 52.22 3mft n ALA 176 Cb 0.53 0.24 0.00 0.00 0.00 0.00 0.00 19.45 20.22 3mft n ALA 176 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3mft n GLY 177 N 1.31 -1.78 3.22 0.00 0.00 -1.26 -4.89 105.19 101.79 3mft n GLY 177 Ca 0.08 -1.95 -0.27 0.00 0.00 0.00 0.00 46.02 43.88 3mft n GLY 177 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mft n GLY 178 N 0.00 -2.73 3.64 -0.02 0.00 -1.26 -4.64 105.19 100.18 3mft n GLY 178 Ca 0.00 -1.06 -0.43 0.00 0.00 0.00 0.00 46.02 44.54 3mft n GLY 178 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3mft s ARG 179 N -3.93 4.02 -0.02 1.61 0.52 -1.26 -4.96 118.95 114.92 3mft s ARG 179 Ca 0.55 1.52 0.07 0.00 -0.52 0.00 0.00 55.73 57.35 3mft s ARG 179 Cb -0.13 -3.87 -0.02 0.00 0.52 0.00 0.00 34.95 31.45 3mft s ARG 179 CO 0.55 -1.00 -0.24 0.54 0.02 0.00 0.00 175.30 175.18 3mft s VAL 180 N 4.20 1.87 -0.88 3.52 0.11 -1.26 -5.08 120.40 122.89 3mft s VAL 180 Ca 0.59 -1.01 0.00 0.00 -2.93 0.00 0.00 61.98 58.63 3mft s VAL 180 Cb -0.21 -1.56 0.00 0.00 -1.53 0.00 0.00 36.38 33.09 3mft s VAL 180 CO 0.22 0.53 0.00 0.61 -3.33 0.00 0.00 175.10 173.13 3mft n GLY 181 N 2.53 0.41 3.18 6.54 0.00 -1.26 -4.92 105.19 111.67 3mft n GLY 181 Ca -0.16 -2.04 -0.34 0.00 0.00 0.00 0.00 46.02 43.49 3mft n GLY 181 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3mft s THR 182 N -0.67 2.53 0.25 2.61 2.01 -1.26 -5.03 115.64 116.07 3mft s THR 182 Ca 0.00 -0.87 -0.07 0.00 0.31 0.00 0.00 61.69 61.06 3mft s THR 182 Cb 0.00 -2.15 0.41 0.00 0.01 0.00 0.00 72.50 70.77 3mft s THR 182 CO 0.00 0.43 1.38 -2.65 -0.69 0.00 0.00 174.62 173.09 3mft n PRO 183 N 4.66 -0.08 0.31 4.92 -0.02 -1.26 -0.65 135.00 142.89 3mft n PRO 183 Ca -0.19 1.38 0.19 0.00 -2.02 0.00 0.00 63.50 62.85 3mft n PRO 183 Cb 0.49 -2.06 1.02 0.00 -0.02 0.00 0.00 33.50 32.94 3mft n PRO 183 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3mft h HIS 184 N 0.00 0.00 -0.00 6.00 3.86 -1.96 -2.93 115.15 120.12 3mft h HIS 184 Ca 0.42 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.63 3mft h HIS 184 Cb 0.64 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.11 3mft h HIS 184 CO -0.68 0.02 -0.22 1.19 0.86 0.00 0.00 177.93 179.10 3mft n PHE 185 N -3.39 0.00 -1.74 2.45 3.01 0.18 -4.81 117.46 113.16 3mft n PHE 185 Ca -0.03 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.01 3mft n PHE 185 Cb 0.12 0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 39.57 3mft n PHE 185 CO 0.00 0.00 0.00 -1.33 1.01 0.00 0.00 176.76 176.44 3mft n MET 186 N -0.87 2.64 -2.32 -1.08 2.81 -0.68 -4.21 117.12 113.41 3mft n MET 186 Ca 0.02 0.94 -0.34 0.00 -1.81 0.00 0.00 57.70 56.50 3mft n MET 186 Cb 0.10 -2.71 -0.01 0.00 -0.71 0.00 0.00 33.22 29.89 3mft n MET 186 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3mft s ALA 187 N 0.02 2.78 0.30 3.04 0.00 -1.26 -4.86 121.76 121.78 3mft s ALA 187 Ca 0.65 0.60 -0.00 0.00 0.00 0.00 0.00 51.96 53.21 3mft s ALA 187 Cb -0.51 -3.28 0.50 0.00 0.00 0.00 0.00 23.12 19.83 3mft s ALA 187 CO 0.48 -0.59 1.93 -1.00 0.00 0.00 0.00 175.76 176.59 3mft h PRO 188 N 1.13 1.03 -0.00 0.00 0.13 -1.89 0.31 132.00 132.71 3mft h PRO 188 Ca -0.49 -0.06 -0.03 0.00 -0.87 0.00 0.00 66.00 64.55 3mft h PRO 188 Cb 1.23 -0.23 -0.00 0.00 0.13 0.00 0.00 31.00 32.12 3mft h PRO 188 CO 0.58 0.68 -0.15 1.05 -0.23 0.00 0.00 178.00 179.93 3mft h GLU 189 N 1.06 0.00 -0.12 0.86 9.09 -1.93 0.18 114.58 123.72 3mft h GLU 189 Ca 0.36 -0.00 -0.11 0.00 0.05 0.00 0.00 59.36 59.65 3mft h GLU 189 Cb 0.08 -0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.19 3mft h GLU 189 CO -0.12 0.15 -0.37 0.28 0.05 0.00 0.00 179.01 179.00 3mft h VAL 190 N 0.00 1.38 -0.74 -1.06 2.07 -1.26 -0.89 116.25 115.75 3mft h VAL 190 Ca -0.00 -1.69 -0.06 0.00 0.82 0.00 0.00 66.70 65.77 3mft h VAL 190 Cb 0.26 2.13 -0.03 0.00 -1.52 0.00 0.00 31.29 32.13 3mft h VAL 190 CO 0.02 0.50 0.22 0.58 0.02 0.00 0.00 177.57 178.91 3mft h VAL 191 N 0.05 1.26 0.00 2.57 2.07 -0.82 -2.32 116.25 119.05 3mft h VAL 191 Ca -0.01 -0.93 0.00 0.00 0.82 0.00 0.00 66.70 66.58 3mft h VAL 191 Cb 1.00 0.45 0.00 0.00 -1.52 0.00 0.00 31.29 31.22 3mft h VAL 191 CO 0.08 0.37 0.00 0.29 0.02 0.00 0.00 177.57 178.32 3mft n LYS 192 N -4.24 0.36 -2.43 1.57 5.02 0.59 -4.90 118.16 114.12 3mft n LYS 192 Ca 0.06 0.05 -0.19 0.00 -2.02 0.00 0.00 58.31 56.22 3mft n LYS 192 Cb 0.24 -1.50 -0.00 0.00 -0.02 0.00 0.00 35.03 33.74 3mft n LYS 192 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3mft n ARG 193 N -1.27 -1.86 -2.25 1.97 1.74 -0.87 -5.02 116.66 109.09 3mft n ARG 193 Ca 0.12 0.89 -0.28 0.00 -0.77 0.00 0.00 57.85 57.81 3mft n ARG 193 Cb 0.19 -5.45 0.02 0.00 -1.02 0.00 0.00 32.46 26.21 3mft n ARG 193 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 3mft s GLU 194 N -5.01 3.14 0.42 5.56 2.02 -0.36 -4.58 118.70 119.88 3mft s GLU 194 Ca 0.03 0.26 -0.27 0.00 0.02 0.00 0.00 54.97 55.01 3mft s GLU 194 Cb -0.02 -2.21 -0.10 0.00 0.10 0.00 0.00 34.13 31.91 3mft s GLU 194 CO 0.04 -0.65 1.46 -2.30 0.02 0.00 0.00 175.26 173.83 3mft n PRO 195 N -2.64 2.47 -4.14 0.39 -0.02 -1.26 -4.56 135.00 125.25 3mft n PRO 195 Ca 0.04 0.87 -0.11 0.00 -2.02 0.00 0.00 63.50 62.28 3mft n PRO 195 Cb 0.56 -2.66 -0.08 0.00 -0.02 0.00 0.00 33.50 31.31 3mft n PRO 195 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 3mft s TYR 196 N -1.16 0.92 0.00 6.00 -0.85 0.04 -4.94 117.35 117.36 3mft s TYR 196 Ca 0.57 -1.18 0.00 0.00 -0.52 0.00 0.00 57.07 55.94 3mft s TYR 196 Cb -0.46 -0.31 0.00 0.00 0.38 0.00 0.00 41.96 41.57 3mft s TYR 196 CO 0.61 -0.77 0.00 0.41 -1.52 0.00 0.00 175.55 174.27 3mft n GLY 197 N -0.32 3.81 0.38 5.49 0.00 -1.26 0.09 105.19 113.38 3mft n GLY 197 Ca 0.01 -0.21 0.19 0.00 0.00 0.00 0.00 46.02 46.01 3mft n GLY 197 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3mft h LYS 198 N 0.00 0.51 0.00 1.61 1.57 -1.98 -1.70 116.57 116.58 3mft h LYS 198 Ca 0.00 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 3mft h LYS 198 Cb 0.00 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.19 3mft h LYS 198 CO 0.00 0.34 0.00 -1.35 -0.57 0.00 0.00 179.45 177.87 3mft h PRO 199 N 0.53 0.00 0.00 3.15 0.11 -1.94 -2.33 132.00 131.51 3mft h PRO 199 Ca 0.57 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.63 3mft h PRO 199 Cb 1.22 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.33 3mft h PRO 199 CO -0.31 0.00 -0.21 -0.39 -0.21 0.00 0.00 178.00 176.88 3mft h VAL 200 N 0.00 0.64 0.15 3.15 -1.51 -1.71 -2.28 116.25 114.70 3mft h VAL 200 Ca 0.00 -0.91 -0.29 0.00 -1.23 0.00 0.00 66.70 64.26 3mft h VAL 200 Cb 0.06 1.59 0.01 0.00 -2.13 0.00 0.00 31.29 30.81 3mft h VAL 200 CO 0.00 0.20 -1.35 0.44 -1.23 0.00 0.00 177.57 175.63 3mft h ASP 201 N 0.00 0.51 -0.73 4.19 3.32 -1.62 -2.54 116.42 119.54 3mft h ASP 201 Ca -0.00 -0.57 -0.02 0.00 0.02 0.00 0.00 57.03 56.46 3mft h ASP 201 Cb 0.57 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 39.92 3mft h ASP 201 CO 0.03 1.45 0.37 0.58 -1.72 0.00 0.00 179.24 179.95 3mft h VAL 202 N 0.09 1.23 -0.10 -1.35 2.07 -1.64 -1.92 116.25 114.64 3mft h VAL 202 Ca -0.18 -0.62 0.03 0.00 0.82 0.00 0.00 66.70 66.74 3mft h VAL 202 Cb 2.02 0.30 -0.03 0.00 -1.52 0.00 0.00 31.29 32.06 3mft h VAL 202 CO 0.21 0.27 -0.08 -0.25 0.02 0.00 0.00 177.57 177.74 3mft h TRP 203 N 1.02 -0.20 -0.63 1.57 2.91 -1.37 0.70 115.95 119.96 3mft h TRP 203 Ca 0.25 0.01 0.11 0.00 1.13 0.00 0.00 58.89 60.40 3mft h TRP 203 Cb 0.09 0.10 -0.08 0.00 -0.51 0.00 0.00 29.16 28.76 3mft h TRP 203 CO 0.00 -0.13 0.20 0.78 -1.03 0.00 0.00 178.44 178.27 3mft h GLY 204 N -0.10 0.87 1.24 2.65 0.00 -1.30 -1.20 103.07 105.23 3mft h GLY 204 Ca 0.07 -0.09 -0.07 0.00 0.00 0.00 0.00 47.33 47.24 3mft h GLY 204 CO -0.16 -0.07 0.10 0.00 0.00 0.00 0.00 176.54 176.41 3mft h GLY 206 N 1.01 1.41 1.01 0.00 0.00 -0.10 0.30 103.07 106.71 3mft h GLY 206 Ca 0.18 -0.52 -0.12 0.00 0.00 0.00 0.00 47.33 46.87 3mft h GLY 206 CO 0.01 0.51 -0.26 -2.08 0.00 0.00 0.00 176.54 174.71 3mft h VAL 207 N 1.35 1.29 -0.22 4.60 2.07 -0.92 -1.23 116.25 123.18 3mft h VAL 207 Ca 0.37 -1.42 0.03 0.00 0.82 0.00 0.00 66.70 66.50 3mft h VAL 207 Cb -0.14 1.45 -0.03 0.00 -1.52 0.00 0.00 31.29 31.05 3mft h VAL 207 CO -0.08 0.46 0.04 0.40 0.02 0.00 0.00 177.57 178.41 3mft h ILE 208 N 0.56 0.90 -0.30 4.57 2.04 -0.78 -1.06 117.51 123.43 3mft h ILE 208 Ca 0.06 -0.04 0.06 0.00 1.00 0.00 0.00 64.86 65.94 3mft h ILE 208 Cb 0.83 0.76 -0.06 0.00 -0.74 0.00 0.00 36.82 37.61 3mft h ILE 208 CO 0.07 0.02 -0.08 0.25 0.00 0.00 0.00 178.15 178.41 3mft h LEU 209 N 0.12 -0.28 -0.60 1.44 5.85 -0.36 0.19 115.31 121.67 3mft h LEU 209 Ca 0.10 0.09 0.11 0.00 0.84 0.00 0.00 57.88 59.02 3mft h LEU 209 Cb 0.10 0.19 -0.09 0.00 0.37 0.00 0.00 40.66 41.23 3mft h LEU 209 CO -0.13 -0.10 0.12 0.15 -0.34 0.00 0.00 178.44 178.13 3mft h PHE 210 N -0.00 0.18 -0.51 1.25 3.04 -0.98 -1.52 116.94 118.40 3mft h PHE 210 Ca 0.15 0.04 -0.05 0.00 3.98 0.00 0.00 57.97 62.08 3mft h PHE 210 Cb 0.22 0.01 -0.02 0.00 2.56 0.00 0.00 35.95 38.72 3mft h PHE 210 CO -0.29 -0.04 0.11 0.82 -2.02 0.00 0.00 178.31 176.88 3mft h ILE 211 N 0.25 1.25 -0.09 1.41 2.04 -0.25 -2.34 117.51 119.77 3mft h ILE 211 Ca 0.32 -0.89 -0.06 0.00 1.00 0.00 0.00 64.86 65.23 3mft h ILE 211 Cb 0.47 0.84 -0.01 0.00 -0.74 0.00 0.00 36.82 37.38 3mft h ILE 211 CO -0.41 0.32 -0.20 -0.07 0.00 0.00 0.00 178.15 177.79 3mft h LEU 212 N 0.72 0.14 0.00 1.44 3.38 -0.00 0.51 115.31 121.49 3mft h LEU 212 Ca 0.16 -0.03 -0.23 0.00 0.09 0.00 0.00 57.88 57.86 3mft h LEU 212 Cb 0.36 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 41.04 3mft h LEU 212 CO 0.01 0.35 -1.27 -0.07 0.09 0.00 0.00 178.44 177.55 3mft h LEU 213 N 0.14 0.00 0.00 1.67 3.38 -1.21 -3.42 115.31 115.87 3mft h LEU 213 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 3mft h LEU 213 Cb 0.44 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.19 3mft h LEU 213 CO 0.03 0.95 -0.28 -1.54 0.09 0.00 0.00 178.44 177.68 3mft n SER 214 N -3.20 1.42 0.00 -0.43 3.41 -0.89 -4.71 113.62 109.22 3mft n SER 214 Ca -0.07 -0.12 0.00 0.00 -0.26 0.00 0.00 58.87 58.42 3mft n SER 214 Cb 0.97 0.51 0.00 0.00 -0.26 0.00 0.00 64.21 65.43 3mft n SER 214 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3mft n GLY 215 N 0.94 0.64 3.90 5.00 0.00 0.18 -4.56 105.19 111.28 3mft n GLY 215 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 3mft n GLY 215 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mft s LEU 217 N -3.61 4.34 0.47 0.00 1.43 -1.26 -3.72 118.68 116.34 3mft s LEU 217 Ca 0.33 1.01 0.23 0.00 -1.03 0.00 0.00 54.13 54.68 3mft s LEU 217 Cb -0.09 -2.84 1.16 0.00 0.03 0.00 0.00 46.19 44.44 3mft s LEU 217 CO 0.27 0.03 1.96 1.55 0.23 0.00 0.00 176.35 180.39 3mft h PRO 218 N 6.23 0.00 -3.50 1.29 0.13 -1.92 -3.43 132.00 130.80 3mft h PRO 218 Ca -0.43 0.00 -0.35 0.00 -0.87 0.00 0.00 66.00 64.35 3mft h PRO 218 Cb 1.19 0.00 -0.36 0.00 0.13 0.00 0.00 31.00 31.96 3mft h PRO 218 CO 0.73 0.20 -0.74 -0.06 -0.23 0.00 0.00 178.00 177.90 3mft s PHE 219 N -4.05 0.17 0.38 1.56 0.08 -1.26 -4.50 117.98 110.37 3mft s PHE 219 Ca -0.02 0.12 -0.08 0.00 0.12 0.00 0.00 56.93 57.07 3mft s PHE 219 Cb 0.13 -0.43 0.03 0.00 -0.57 0.00 0.00 43.02 42.18 3mft s PHE 219 CO 0.63 -0.16 0.65 1.52 -0.10 0.00 0.00 175.22 177.75 3mft s TYR 220 N 1.60 0.63 0.00 0.36 -0.85 -1.26 -4.89 117.35 112.93 3mft s TYR 220 Ca -0.02 -1.10 0.00 0.00 -0.52 0.00 0.00 57.07 55.43 3mft s TYR 220 Cb -0.13 0.40 0.00 0.00 0.38 0.00 0.00 41.96 42.61 3mft s TYR 220 CO -0.03 -1.40 0.00 0.41 -1.52 0.00 0.00 175.55 173.01 3mft n GLY 221 N -0.57 -0.00 3.71 5.49 0.00 -1.26 -3.59 105.19 108.97 3mft n GLY 221 Ca -0.04 -2.28 -0.34 0.00 0.00 0.00 0.00 46.02 43.36 3mft n GLY 221 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3mft s THR 222 N -0.14 2.26 0.38 2.61 -4.23 -1.26 -4.53 115.64 110.73 3mft s THR 222 Ca 0.00 0.12 0.21 0.00 -1.18 0.00 0.00 61.69 60.84 3mft s THR 222 Cb 0.00 -2.63 0.39 0.00 1.34 0.00 0.00 72.50 71.60 3mft s THR 222 CO 0.00 -0.07 1.66 0.11 -0.54 0.00 0.00 174.62 175.78 3mft h LYS 223 N -0.53 0.23 -0.09 3.99 1.57 -1.98 0.28 116.57 120.03 3mft h LYS 223 Ca -0.47 -0.01 -0.10 0.00 -1.87 0.00 0.00 60.65 58.20 3mft h LYS 223 Cb 1.29 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.56 3mft h LYS 223 CO 0.49 0.15 -0.32 0.93 -0.57 0.00 0.00 179.45 180.12 3mft h GLU 224 N 0.23 0.39 -0.31 3.15 4.39 -1.99 -1.29 114.58 119.15 3mft h GLU 224 Ca 0.75 -0.29 -0.12 0.00 0.34 0.00 0.00 59.36 60.04 3mft h GLU 224 Cb 1.98 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 30.67 3mft h GLU 224 CO -0.51 0.91 -0.30 0.00 -1.16 0.00 0.00 179.01 177.95 3mft h ARG 225 N -0.07 0.66 0.49 2.33 -0.00 -1.55 0.47 114.38 116.72 3mft h ARG 225 Ca -0.01 -0.29 -0.02 0.00 -0.50 0.00 0.00 59.98 59.16 3mft h ARG 225 Cb 0.95 -0.02 -0.02 0.00 0.00 0.00 0.00 29.97 30.89 3mft h ARG 225 CO 0.07 0.88 -0.46 1.25 0.00 0.00 0.00 179.97 181.71 3mft h LEU 226 N 0.56 -1.24 -0.92 3.04 5.85 -0.56 0.20 115.31 122.24 3mft h LEU 226 Ca 0.07 0.10 0.10 0.00 0.84 0.00 0.00 57.88 58.98 3mft h LEU 226 Cb 0.80 0.40 -0.08 0.00 0.37 0.00 0.00 40.66 42.15 3mft h LEU 226 CO 0.07 -0.61 0.56 -0.26 -0.34 0.00 0.00 178.44 177.85 3mft h PHE 227 N -0.94 1.02 -0.67 1.25 0.05 -1.15 -1.01 116.94 115.49 3mft h PHE 227 Ca -0.06 0.03 -0.01 0.00 3.82 0.00 0.00 57.97 61.75 3mft h PHE 227 Cb 0.80 -0.32 -0.03 0.00 2.00 0.00 0.00 35.95 38.40 3mft h PHE 227 CO -0.22 0.44 0.39 0.93 -0.18 0.00 0.00 178.31 179.66 3mft h GLU 228 N 0.93 0.91 -0.85 1.51 5.08 -0.79 -2.46 114.58 118.91 3mft h GLU 228 Ca 0.44 -0.09 -0.02 0.00 -1.00 0.00 0.00 59.36 58.68 3mft h GLU 228 Cb 0.37 -0.19 -0.04 0.00 0.50 0.00 0.00 28.75 29.39 3mft h GLU 228 CO -0.24 0.67 0.45 0.78 -1.00 0.00 0.00 179.01 179.67 3mft h GLY 229 N 0.91 1.28 0.81 -3.84 0.00 0.52 -2.48 103.07 100.27 3mft h GLY 229 Ca 0.24 -0.60 -0.02 0.00 0.00 0.00 0.00 47.33 46.95 3mft h GLY 229 CO -0.04 0.57 0.02 -2.22 0.00 0.00 0.00 176.54 174.87 3mft h ILE 230 N 1.19 1.23 -0.79 2.60 2.04 -1.11 0.50 117.51 123.18 3mft h ILE 230 Ca 0.30 -0.76 0.02 0.00 1.00 0.00 0.00 64.86 65.42 3mft h ILE 230 Cb 0.06 1.42 -0.04 0.00 -0.74 0.00 0.00 36.82 37.51 3mft h ILE 230 CO -0.04 0.23 0.51 0.40 0.00 0.00 0.00 178.15 179.24 3mft h ILE 231 N 0.05 1.15 -0.15 -0.67 2.04 -1.44 -1.67 117.51 116.81 3mft h ILE 231 Ca 0.05 -0.35 -0.10 0.00 1.00 0.00 0.00 64.86 65.47 3mft h ILE 231 Cb 0.33 0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 36.45 3mft h ILE 231 CO 0.00 0.18 -0.33 0.11 0.00 0.00 0.00 178.15 178.12 3mft h LYS 232 N 1.01 0.31 -0.67 2.37 6.56 -1.38 -3.48 116.57 121.29 3mft h LYS 232 Ca 0.31 -0.13 -0.29 0.00 -1.06 0.00 0.00 60.65 59.48 3mft h LYS 232 Cb -0.03 -0.01 -0.11 0.00 -0.57 0.00 0.00 32.23 31.50 3mft h LYS 232 CO -0.10 0.61 -0.26 0.41 -2.06 0.00 0.00 179.45 178.05 3mft n GLY 233 N -0.33 1.45 3.64 3.86 0.00 0.16 -4.99 105.19 108.98 3mft n GLY 233 Ca -0.01 -0.30 -0.39 0.00 0.00 0.00 0.00 46.02 45.32 3mft n GLY 233 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mft s LYS 234 N -3.16 4.11 0.22 1.61 1.02 -1.24 -4.92 119.74 117.38 3mft s LYS 234 Ca 0.00 0.20 0.06 0.00 0.02 0.00 0.00 55.97 56.25 3mft s LYS 234 Cb 0.00 -3.60 -0.05 0.00 -0.52 0.00 0.00 37.83 33.66 3mft s LYS 234 CO 0.00 -0.18 -0.08 1.52 -0.92 0.00 0.00 175.35 175.68 3mft s TYR 235 N 1.77 1.65 -0.04 3.18 1.13 -1.26 -4.92 117.35 118.87 3mft s TYR 235 Ca 0.19 -0.72 0.07 0.00 -1.41 0.00 0.00 57.07 55.20 3mft s TYR 235 Cb -0.15 -0.87 -0.02 0.00 -1.10 0.00 0.00 41.96 39.82 3mft s TYR 235 CO 0.09 0.20 -0.25 0.15 -2.51 0.00 0.00 175.55 173.22 3mft s LYS 236 N -3.73 2.31 -0.94 -3.49 1.02 -1.26 -5.07 119.74 108.57 3mft s LYS 236 Ca 0.24 -0.91 -0.10 0.00 0.02 0.00 0.00 55.97 55.22 3mft s LYS 236 Cb 0.02 -2.10 0.24 0.00 -0.52 0.00 0.00 37.83 35.47 3mft s LYS 236 CO 0.07 0.49 0.89 -1.64 -0.92 0.00 0.00 175.35 174.24 3mft s MET 237 N -0.42 3.76 -0.32 1.68 -1.94 -1.26 -4.95 119.30 115.84 3mft s MET 237 Ca 0.04 -2.86 -0.40 0.00 -1.71 0.00 0.00 55.69 50.76 3mft s MET 237 Cb -0.12 -4.40 -0.15 0.00 2.01 0.00 0.00 34.83 32.17 3mft s MET 237 CO 0.01 -1.26 1.84 -1.71 -0.01 0.00 0.00 175.02 173.89 3mft n ASN 238 N 3.25 2.17 0.25 3.03 4.05 -1.26 -4.75 115.26 122.00 3mft n ASN 238 Ca 0.18 0.94 0.07 0.00 0.45 0.00 0.00 54.58 56.23 3mft n ASN 238 Cb 0.42 -1.13 0.60 0.00 1.23 0.00 0.00 39.78 40.91 3mft n ASN 238 CO 0.00 0.00 0.00 -0.65 -3.05 0.00 0.00 177.26 173.56 3mft h PRO 239 N 8.09 0.00 -0.77 1.20 0.11 -1.96 -1.05 132.00 137.62 3mft h PRO 239 Ca -0.40 0.00 0.18 0.00 0.11 0.00 0.00 66.00 65.88 3mft h PRO 239 Cb 1.33 0.00 -0.12 0.00 0.11 0.00 0.00 31.00 32.32 3mft h PRO 239 CO 0.98 0.06 0.18 -0.09 -0.21 0.00 0.00 178.00 178.92 3mft h ARG 240 N 0.00 0.24 0.02 1.05 2.43 -2.01 0.16 114.38 116.27 3mft h ARG 240 Ca -0.00 -0.01 -0.29 0.00 -0.81 0.00 0.00 59.98 58.86 3mft h ARG 240 Cb 0.10 -0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 29.56 3mft h ARG 240 CO 0.01 0.16 -1.60 1.04 -1.51 0.00 0.00 179.97 178.06 3mft n GLN 241 N -5.19 0.60 0.25 0.20 3.00 -1.03 -4.60 117.38 110.61 3mft n GLN 241 Ca 0.16 0.47 0.15 0.00 -0.01 0.00 0.00 57.00 57.77 3mft n GLN 241 Cb 0.51 -1.70 0.45 0.00 0.00 0.00 0.00 30.24 29.50 3mft n GLN 241 CO 0.00 0.00 0.00 -1.49 0.00 0.00 0.00 177.06 175.57 3mft h TRP 242 N -0.79 0.00 -0.22 1.08 4.06 -1.00 -3.06 115.95 116.02 3mft h TRP 242 Ca -0.42 0.00 0.06 0.00 2.06 0.00 0.00 58.89 60.59 3mft h TRP 242 Cb 1.49 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.64 3mft h TRP 242 CO 0.07 0.00 0.19 0.66 -3.56 0.00 0.00 178.44 175.79 3mft h SER 243 N 0.00 0.00 0.55 -3.49 4.64 -0.90 -0.95 113.55 113.41 3mft h SER 243 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3mft h SER 243 Cb 0.73 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.82 3mft h SER 243 CO 0.00 0.00 -0.10 1.41 -0.87 0.00 0.00 176.83 177.27 3mft n HIS 244 N -4.16 0.00 -3.61 4.77 8.25 -1.15 -4.89 115.22 114.42 3mft n HIS 244 Ca 0.02 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.11 3mft n HIS 244 Cb 0.33 -0.28 -0.06 0.00 1.12 0.00 0.00 29.99 31.10 3mft n HIS 244 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3mft s ILE 245 N -2.65 5.27 0.86 1.59 -1.09 -0.36 -5.06 121.20 119.76 3mft s ILE 245 Ca 0.24 0.55 -0.11 0.00 -2.23 0.00 0.00 60.65 59.11 3mft s ILE 245 Cb 0.20 -3.60 0.11 0.00 -1.58 0.00 0.00 42.46 37.59 3mft s ILE 245 CO 0.50 0.50 1.14 -0.94 -1.23 0.00 0.00 174.94 174.91 3mft s SER 246 N -0.37 3.47 0.24 3.58 1.04 -1.26 -4.89 113.70 115.51 3mft s SER 246 Ca 0.18 2.11 0.04 0.00 0.48 0.00 0.00 55.95 58.77 3mft s SER 246 Cb -0.14 -2.56 0.28 0.00 0.10 0.00 0.00 66.02 63.70 3mft s SER 246 CO 0.07 -2.73 1.58 -0.33 0.98 0.00 0.00 173.24 172.80 3mft h GLU 247 N -1.51 0.27 -0.28 4.02 4.39 -1.98 -2.37 114.58 117.12 3mft h GLU 247 Ca -0.44 -0.17 0.03 0.00 0.34 0.00 0.00 59.36 59.12 3mft h GLU 247 Cb 1.26 0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 29.90 3mft h GLU 247 CO 0.45 0.76 0.10 1.03 -1.16 0.00 0.00 179.01 180.19 3mft h SER 248 N 0.20 0.11 0.21 1.42 0.87 -1.92 0.42 113.55 114.87 3mft h SER 248 Ca 0.00 0.03 -0.01 0.00 -1.23 0.00 0.00 61.79 60.58 3mft h SER 248 Cb 1.05 0.01 0.00 0.00 -0.44 0.00 0.00 62.40 63.03 3mft h SER 248 CO 0.09 0.10 -0.10 0.00 -0.53 0.00 0.00 176.83 176.39 3mft h ALA 249 N 1.18 -0.29 -0.95 6.23 0.00 -1.83 -2.46 119.26 121.14 3mft h ALA 249 Ca 0.12 -0.12 0.10 0.00 0.00 0.00 0.00 54.91 55.02 3mft h ALA 249 Cb 0.09 0.11 -0.07 0.00 0.00 0.00 0.00 17.79 17.92 3mft h ALA 249 CO -0.12 -0.59 0.61 0.87 0.00 0.00 0.00 179.25 180.01 3mft h LYS 250 N -0.43 0.95 -0.85 0.00 1.57 -1.29 -1.60 116.57 114.92 3mft h LYS 250 Ca -0.03 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.67 3mft h LYS 250 Cb 0.32 -0.21 -0.04 0.00 0.08 0.00 0.00 32.23 32.38 3mft h LYS 250 CO 0.05 0.63 0.44 0.22 -0.57 0.00 0.00 179.45 180.22 3mft h ASP 251 N 0.98 1.09 -0.25 0.86 1.82 0.04 -1.44 116.42 119.52 3mft h ASP 251 Ca 0.45 -0.12 -0.04 0.00 -0.39 0.00 0.00 57.03 56.93 3mft h ASP 251 Cb 0.40 -0.28 -0.01 0.00 0.68 0.00 0.00 39.33 40.12 3mft h ASP 251 CO -0.21 0.90 -0.00 0.25 -1.61 0.00 0.00 179.24 178.57 3mft h LEU 252 N 1.20 0.43 -0.42 2.28 6.46 -0.92 -1.46 115.31 122.89 3mft h LEU 252 Ca 0.30 -0.31 0.09 0.00 -0.12 0.00 0.00 57.88 57.83 3mft h LEU 252 Cb 0.07 -0.12 -0.09 0.00 -0.73 0.00 0.00 40.66 39.80 3mft h LEU 252 CO -0.04 0.64 -0.22 0.58 -0.62 0.00 0.00 178.44 178.77 3mft h VAL 253 N 0.21 0.37 -0.78 1.05 2.07 -1.15 -0.99 116.25 117.03 3mft h VAL 253 Ca 0.07 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.60 3mft h VAL 253 Cb 0.42 0.37 -0.04 0.00 -1.52 0.00 0.00 31.29 30.52 3mft h VAL 253 CO 0.01 0.00 0.52 0.03 0.02 0.00 0.00 177.57 178.15 3mft h ARG 254 N -0.14 1.03 0.00 1.57 3.08 -1.09 -1.44 114.38 117.39 3mft h ARG 254 Ca 0.20 -0.06 -0.07 0.00 0.07 0.00 0.00 59.98 60.11 3mft h ARG 254 Cb 0.46 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 30.26 3mft h ARG 254 CO -0.51 0.69 -0.35 0.00 -1.07 0.00 0.00 179.97 178.72 3mft h ARG 255 N 1.06 0.00 0.00 0.04 3.08 -0.71 -2.66 114.38 115.19 3mft h ARG 255 Ca 0.29 0.00 -0.23 0.00 0.07 0.00 0.00 59.98 60.11 3mft h ARG 255 Cb -0.12 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 29.89 3mft h ARG 255 CO -0.06 0.35 -1.27 0.52 -1.07 0.00 0.00 179.97 178.45 3mft h MET 256 N 0.00 0.00 -0.69 0.04 2.86 -0.83 -2.18 114.93 114.14 3mft h MET 256 Ca -0.00 0.00 -0.13 0.00 -2.06 0.00 0.00 59.70 57.50 3mft h MET 256 Cb 0.65 0.00 -0.08 0.00 0.06 0.00 0.00 31.60 32.23 3mft h MET 256 CO 0.05 0.71 0.17 1.28 1.06 0.00 0.00 176.91 180.17 3mft n LEU 257 N -3.18 6.02 -4.69 1.22 4.77 -0.58 -3.98 117.00 116.58 3mft n LEU 257 Ca -0.07 -3.10 -0.44 0.00 -0.03 0.00 0.00 56.01 52.37 3mft n LEU 257 Cb 0.96 -0.73 -0.03 0.00 -2.33 0.00 0.00 43.42 41.29 3mft n LEU 257 CO 0.45 0.74 1.39 0.80 -1.33 0.00 0.00 177.39 179.44 3mft n MET 258 N 0.17 2.60 0.01 3.23 1.56 -1.01 -4.90 117.12 118.78 3mft n MET 258 Ca 0.36 0.94 -0.12 0.00 -0.27 0.00 0.00 57.70 58.62 3mft n MET 258 Cb 1.33 -2.80 -0.07 0.00 2.15 0.00 0.00 33.22 33.84 3mft n MET 258 CO 0.00 0.00 0.00 1.25 -0.73 0.00 0.00 175.97 176.49 3mft h LEU 259 N 7.61 0.07 -8.95 -0.89 6.46 -1.91 -3.40 115.31 114.30 3mft h LEU 259 Ca -0.45 -0.08 -0.57 0.00 -0.12 0.00 0.00 57.88 56.66 3mft h LEU 259 Cb 1.23 -0.02 -0.06 0.00 -0.73 0.00 0.00 40.66 41.08 3mft h LEU 259 CO 0.94 0.13 0.90 -0.62 -0.62 0.00 0.00 178.44 179.16 3mft s ASP 260 N -5.33 6.82 0.53 1.25 -1.08 -1.26 -4.84 116.67 112.77 3mft s ASP 260 Ca -0.13 1.11 0.19 0.00 -0.52 0.00 0.00 52.55 53.19 3mft s ASP 260 Cb 0.06 -2.54 1.37 0.00 -1.46 0.00 0.00 42.92 40.35 3mft s ASP 260 CO 0.67 -0.97 2.16 1.55 0.52 0.00 0.00 175.17 179.10 3mft h PRO 261 N 8.59 0.00 0.00 4.34 0.13 -1.96 0.33 132.00 143.43 3mft h PRO 261 Ca -0.23 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.89 3mft h PRO 261 Cb 1.08 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.20 3mft h PRO 261 CO 1.04 0.00 -0.07 0.00 -0.23 0.00 0.00 178.00 178.73 3mft h ALA 262 N 1.98 1.02 0.00 -0.56 0.00 -1.94 -3.03 119.26 116.74 3mft h ALA 262 Ca 0.01 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3mft h ALA 262 Cb 0.06 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3mft h ALA 262 CO -0.00 0.09 -0.97 0.39 0.00 0.00 0.00 179.25 178.76 3mft n GLU 263 N -3.21 0.83 -2.06 0.00 -0.58 0.03 -4.95 120.64 110.69 3mft n GLU 263 Ca 0.00 -0.02 -0.42 0.00 -0.42 0.00 0.00 57.16 56.31 3mft n GLU 263 Cb 0.34 -1.39 -0.03 0.00 -0.57 0.00 0.00 31.44 29.79 3mft n GLU 263 CO 0.00 0.00 0.00 0.50 -0.48 0.00 0.00 177.13 177.15 3mft s ARG 264 N -2.81 4.29 0.38 3.49 3.52 -0.74 -4.97 118.95 122.11 3mft s ARG 264 Ca 0.06 2.23 -0.25 0.00 -0.13 0.00 0.00 55.73 57.64 3mft s ARG 264 Cb 0.14 -3.16 -0.12 0.00 -1.56 0.00 0.00 34.95 30.25 3mft s ARG 264 CO 0.77 -0.44 0.89 1.51 -0.81 0.00 0.00 175.30 177.22 3mft n ILE 265 N 3.08 2.16 -2.38 4.11 3.06 -0.82 -5.00 119.36 123.57 3mft n ILE 265 Ca 0.09 -0.50 -0.25 0.00 -2.50 0.00 0.00 62.75 59.60 3mft n ILE 265 Cb 0.41 -0.93 0.05 0.00 0.54 0.00 0.00 39.64 39.71 3mft n ILE 265 CO 0.00 0.00 0.00 0.42 -2.50 0.00 0.00 176.55 174.47 3mft s THR 266 N -1.25 2.67 0.19 9.51 -4.23 -1.26 -4.89 115.64 116.37 3mft s THR 266 Ca 0.62 -0.34 -0.12 0.00 -1.18 0.00 0.00 61.69 60.68 3mft s THR 266 Cb -0.62 -3.09 0.10 0.00 1.34 0.00 0.00 72.50 70.23 3mft s THR 266 CO 0.58 -0.09 1.80 0.58 -0.54 0.00 0.00 174.62 176.95 3mft h VAL 267 N -0.32 0.98 -0.34 2.29 2.07 -1.94 -0.04 116.25 118.95 3mft h VAL 267 Ca -0.44 -0.20 -0.01 0.00 0.82 0.00 0.00 66.70 66.86 3mft h VAL 267 Cb 1.30 0.33 -0.02 0.00 -1.52 0.00 0.00 31.29 31.38 3mft h VAL 267 CO 0.58 0.11 0.16 1.88 0.02 0.00 0.00 177.57 180.32 3mft h TYR 268 N 0.60 0.50 -0.53 1.57 -1.99 -1.94 -1.60 116.97 113.57 3mft h TYR 268 Ca 0.25 -0.02 -0.07 0.00 2.00 0.00 0.00 58.73 60.89 3mft h TYR 268 Cb 0.14 -0.15 -0.02 0.00 2.00 0.00 0.00 36.73 38.69 3mft h TYR 268 CO -0.09 0.43 0.05 0.93 -0.00 0.00 0.00 178.16 179.49 3mft h GLU 269 N 0.42 0.85 -0.20 4.88 5.08 -1.90 -2.89 114.58 120.83 3mft h GLU 269 Ca 0.12 -0.21 -0.01 0.00 -1.00 0.00 0.00 59.36 58.26 3mft h GLU 269 Cb 0.12 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 3mft h GLU 269 CO -0.01 0.82 0.10 0.00 -1.00 0.00 0.00 179.01 178.91 3mft h ALA 270 N 1.25 0.25 -0.49 3.43 0.00 -0.60 -2.20 119.26 120.90 3mft h ALA 270 Ca 0.16 -0.08 0.13 0.00 0.00 0.00 0.00 54.91 55.13 3mft h ALA 270 Cb 0.41 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 3mft h ALA 270 CO 0.01 -0.19 0.35 -0.07 0.00 0.00 0.00 179.25 179.35 3mft h LEU 271 N 0.19 0.05 -0.29 0.00 3.38 -1.28 -0.18 115.31 117.19 3mft h LEU 271 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3mft h LEU 271 Cb 0.11 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.85 3mft h LEU 271 CO -0.01 0.03 -0.12 -3.20 0.09 0.00 0.00 178.44 175.22 3mft n ASN 272 N -4.41 0.57 -4.74 -0.43 5.15 -0.86 -3.32 115.26 107.22 3mft n ASN 272 Ca 0.09 -0.65 -0.41 0.00 -0.60 0.00 0.00 54.58 53.00 3mft n ASN 272 Cb 0.53 -0.04 -0.03 0.00 -0.53 0.00 0.00 39.78 39.71 3mft n ASN 272 CO 0.00 0.00 0.00 -2.28 1.40 0.00 0.00 177.26 176.38 3mft s HIS 273 N -2.46 3.17 0.45 1.20 2.46 -0.08 -4.73 115.29 115.31 3mft s HIS 273 Ca 0.29 1.13 0.26 0.00 0.47 0.00 0.00 55.06 57.21 3mft s HIS 273 Cb 0.20 -3.69 1.30 0.00 -0.13 0.00 0.00 32.58 30.26 3mft s HIS 273 CO 0.48 -2.21 1.76 -1.35 -2.47 0.00 0.00 174.74 170.95 3mft h PRO 274 N 5.34 0.21 -0.05 2.88 0.11 -1.90 0.25 132.00 138.85 3mft h PRO 274 Ca -0.45 -0.01 -0.11 0.00 0.11 0.00 0.00 66.00 65.53 3mft h PRO 274 Cb 1.21 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 3mft h PRO 274 CO 0.78 0.14 -0.50 2.35 -0.21 0.00 0.00 178.00 180.56 3mft h TRP 275 N 0.22 0.14 0.00 0.65 7.01 -1.88 0.02 115.95 122.11 3mft h TRP 275 Ca 0.61 -0.04 -0.14 0.00 2.11 0.00 0.00 58.89 61.43 3mft h TRP 275 Cb 1.91 -0.03 -0.02 0.00 -2.10 0.00 0.00 29.16 28.92 3mft h TRP 275 CO -0.00 0.59 -1.05 1.28 -2.79 0.00 0.00 178.44 176.47 3mft n LEU 276 N -3.95 1.85 -0.31 0.65 4.77 -0.39 -3.82 117.00 115.81 3mft n LEU 276 Ca -0.02 0.50 0.03 0.00 -0.03 0.00 0.00 56.01 56.49 3mft n LEU 276 Cb 0.53 -0.89 0.18 0.00 -2.33 0.00 0.00 43.42 40.90 3mft n LEU 276 CO 0.42 -0.06 1.17 0.50 -1.33 0.00 0.00 177.39 178.09 3mft h LYS 277 N -1.00 0.84 -2.10 3.23 1.63 -0.57 -3.28 116.57 115.32 3mft h LYS 277 Ca -0.21 -0.05 -0.56 0.00 -0.85 0.00 0.00 60.65 58.99 3mft h LYS 277 Cb 0.98 -0.19 -0.41 0.00 -0.60 0.00 0.00 32.23 32.01 3mft h LYS 277 CO -0.13 0.55 -0.92 0.39 -3.45 0.00 0.00 179.45 175.89 3mft n GLU 278 N -4.70 1.67 0.22 1.90 1.02 -0.01 -4.95 120.64 115.79 3mft n GLU 278 Ca 0.14 -3.91 0.08 0.00 -0.02 0.00 0.00 57.16 53.45 3mft n GLU 278 Cb 0.27 -1.77 0.52 0.00 -0.02 0.00 0.00 31.44 30.44 3mft n GLU 278 CO 0.00 0.00 0.00 0.07 1.18 0.00 0.00 177.13 178.38 3mft h ARG 279 N 3.61 0.00 -0.11 3.49 0.11 -1.63 -2.05 114.38 117.81 3mft h ARG 279 Ca 0.12 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 60.18 3mft h ARG 279 Cb 0.78 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.85 3mft h ARG 279 CO 0.63 0.24 -0.03 -0.44 0.10 0.00 0.00 179.97 180.47 3mft h ASP 280 N 0.00 0.14 0.21 0.08 3.32 -1.89 -1.27 116.42 117.00 3mft h ASP 280 Ca -0.00 -0.01 -0.35 0.00 0.02 0.00 0.00 57.03 56.69 3mft h ASP 280 Cb 0.55 -0.04 -0.03 0.00 0.22 0.00 0.00 39.33 40.04 3mft h ASP 280 CO 0.03 0.20 -1.95 -1.14 -1.72 0.00 0.00 179.24 174.66 3mft n ARG 281 N -4.41 0.72 -0.00 3.56 0.63 -0.83 -4.69 116.66 111.63 3mft n ARG 281 Ca -0.01 0.26 0.05 0.00 -0.92 0.00 0.00 57.85 57.23 3mft n ARG 281 Cb 0.17 -1.72 -0.08 0.00 0.45 0.00 0.00 32.46 31.28 3mft n ARG 281 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 3mft n TYR 282 N -3.35 0.00 -3.25 -0.14 4.02 -0.84 -4.92 117.16 108.69 3mft n TYR 282 Ca -0.29 0.00 -0.39 0.00 -0.01 0.00 0.00 57.90 57.21 3mft n TYR 282 Cb 1.05 -0.18 -0.06 0.00 -0.02 0.00 0.00 39.34 40.12 3mft n TYR 282 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3mft s ALA 283 N -2.56 3.52 0.70 -0.72 0.00 -0.49 -4.75 121.76 117.46 3mft s ALA 283 Ca -0.02 -0.32 -0.17 0.00 0.00 0.00 0.00 51.96 51.46 3mft s ALA 283 Cb 0.07 -2.78 0.02 0.00 0.00 0.00 0.00 23.12 20.43 3mft s ALA 283 CO 0.45 -0.32 1.27 0.71 0.00 0.00 0.00 175.76 177.88 3mft s TYR 284 N 1.36 1.98 -1.05 0.00 4.12 -1.26 -4.59 117.35 117.91 3mft s TYR 284 Ca 0.25 1.54 0.09 0.00 0.02 0.00 0.00 57.07 58.97 3mft s TYR 284 Cb -0.15 -3.65 0.06 0.00 -1.52 0.00 0.00 41.96 36.70 3mft s TYR 284 CO 0.10 -2.94 0.75 1.63 0.02 0.00 0.00 175.55 175.11 3mft n LYS 285 N -2.33 0.40 -2.31 -0.62 5.02 -1.26 -2.42 118.16 114.65 3mft n LYS 285 Ca 0.15 -0.97 -0.39 0.00 -2.02 0.00 0.00 58.31 55.09 3mft n LYS 285 Cb 0.49 -1.15 -0.02 0.00 -0.02 0.00 0.00 35.03 34.32 3mft n LYS 285 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 3mft s ILE 286 N -0.77 3.18 0.41 -0.18 -4.36 -1.26 -4.82 121.20 113.40 3mft s ILE 286 Ca 0.10 1.04 -0.26 0.00 -0.26 0.00 0.00 60.65 61.26 3mft s ILE 286 Cb 0.07 -3.60 -0.09 0.00 1.25 0.00 0.00 42.46 40.09 3mft s ILE 286 CO 0.12 0.14 1.34 -2.28 0.24 0.00 0.00 174.94 174.49 3mft s HIS 287 N -1.35 2.74 -0.83 1.37 5.65 -1.26 -4.15 115.29 117.45 3mft s HIS 287 Ca 0.54 1.37 0.01 0.00 0.25 0.00 0.00 55.06 57.23 3mft s HIS 287 Cb -0.32 -3.74 0.22 0.00 -1.18 0.00 0.00 32.58 27.56 3mft s HIS 287 CO 0.40 -2.31 0.75 1.28 -0.65 0.00 0.00 174.74 174.21 3mft n LEU 288 N 0.10 3.98 0.23 8.88 4.77 0.22 -4.93 117.00 130.26 3mft n LEU 288 Ca 0.04 -5.20 0.14 0.00 -0.03 0.00 0.00 56.01 50.96 3mft n LEU 288 Cb 0.43 -0.97 0.44 0.00 -2.33 0.00 0.00 43.42 40.98 3mft n LEU 288 CO 0.57 1.68 0.90 1.55 -1.33 0.00 0.00 177.39 180.76 3mft h PRO 289 N 5.58 0.00 -0.13 3.23 0.13 -1.94 -1.73 132.00 137.15 3mft h PRO 289 Ca 0.17 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 65.17 3mft h PRO 289 Cb 0.76 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.90 3mft h PRO 289 CO 0.85 0.00 -0.40 0.93 -0.23 0.00 0.00 178.00 179.15 3mft h GLU 290 N 0.00 0.50 -0.38 0.86 4.39 -1.91 -2.46 114.58 115.57 3mft h GLU 290 Ca 0.00 -0.36 0.01 0.00 0.34 0.00 0.00 59.36 59.35 3mft h GLU 290 Cb 0.73 0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 29.41 3mft h GLU 290 CO 0.00 0.98 0.23 1.15 -1.16 0.00 0.00 179.01 180.22 3mft h THR 291 N 0.11 1.06 -0.45 1.13 2.02 -1.74 -2.15 112.91 112.88 3mft h THR 291 Ca -0.01 -0.16 0.06 0.00 0.77 0.00 0.00 66.41 67.06 3mft h THR 291 Cb 1.02 0.54 -0.05 0.00 -1.74 0.00 0.00 68.15 67.92 3mft h THR 291 CO 0.08 0.09 0.16 0.58 0.37 0.00 0.00 175.52 176.80 3mft h VAL 292 N 0.48 0.86 -0.69 3.16 2.07 -1.38 0.16 116.25 120.91 3mft h VAL 292 Ca 0.15 -0.12 -0.06 0.00 0.82 0.00 0.00 66.70 67.50 3mft h VAL 292 Cb -0.01 0.50 -0.03 0.00 -1.52 0.00 0.00 31.29 30.22 3mft h VAL 292 CO -0.06 0.06 0.21 -0.33 0.02 0.00 0.00 177.57 177.47 3mft h GLU 293 N 0.34 1.08 -0.33 1.57 4.39 -1.31 0.09 114.58 120.39 3mft h GLU 293 Ca 0.21 -0.23 -0.12 0.00 0.34 0.00 0.00 59.36 59.56 3mft h GLU 293 Cb 0.20 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 28.69 3mft h GLU 293 CO -0.21 0.92 -0.27 1.96 -1.16 0.00 0.00 179.01 180.25 3mft h GLN 294 N 1.03 0.77 -0.78 2.33 1.08 -1.09 -2.32 115.11 116.13 3mft h GLN 294 Ca 0.22 -0.38 0.13 0.00 -1.45 0.00 0.00 58.65 57.17 3mft h GLN 294 Cb 0.30 0.00 -0.09 0.00 -0.05 0.00 0.00 27.48 27.65 3mft h GLN 294 CO -0.01 1.01 0.37 -0.07 -0.95 0.00 0.00 178.83 179.18 3mft h LEU 295 N 0.54 0.42 -0.41 1.46 3.38 -0.52 0.38 115.31 120.57 3mft h LEU 295 Ca 0.06 0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.12 3mft h LEU 295 Cb 0.84 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.60 3mft h LEU 295 CO 0.07 0.19 0.27 -0.09 0.09 0.00 0.00 178.44 178.97 3mft h ARG 296 N 0.56 0.55 -0.72 1.13 2.43 -0.73 0.48 114.38 118.07 3mft h ARG 296 Ca 0.41 -0.04 -0.07 0.00 -0.81 0.00 0.00 59.98 59.48 3mft h ARG 296 Cb 0.56 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 29.96 3mft h ARG 296 CO -0.35 0.37 0.18 0.87 -1.51 0.00 0.00 179.97 179.54 3mft h LYS 297 N 0.56 1.14 -0.55 0.20 1.57 -1.14 -1.01 116.57 117.33 3mft h LYS 297 Ca 0.15 -0.27 -0.00 0.00 -1.87 0.00 0.00 60.65 58.66 3mft h LYS 297 Cb -0.05 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.08 3mft h LYS 297 CO -0.03 0.99 0.33 0.35 -0.57 0.00 0.00 179.45 180.52 3mft h PHE 298 N 1.08 0.73 -0.44 -1.35 3.57 0.38 -1.83 116.94 119.09 3mft h PHE 298 Ca 0.23 -0.00 -0.11 0.00 3.53 0.00 0.00 57.97 61.61 3mft h PHE 298 Cb 0.36 -0.24 -0.02 0.00 2.79 0.00 0.00 35.95 38.84 3mft h PHE 298 CO 0.03 0.51 -0.17 -0.91 -2.23 0.00 0.00 178.31 175.53 3mft h ASN 299 N 0.74 0.85 -0.25 0.41 2.35 0.09 -2.55 115.58 117.23 3mft h ASN 299 Ca 0.20 -0.29 -0.09 0.00 -0.55 0.00 0.00 56.30 55.56 3mft h ASN 299 Cb -0.01 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.11 3mft h ASN 299 CO -0.04 1.02 -0.16 0.00 -1.65 0.00 0.00 177.43 176.60 3mft h ALA 300 N 1.05 1.03 -0.24 -0.83 0.00 -0.98 -2.41 119.26 116.88 3mft h ALA 300 Ca 0.11 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 3mft h ALA 300 Cb 0.69 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 3mft h ALA 300 CO 0.05 0.58 0.06 0.00 0.00 0.00 0.00 179.25 179.95 3mft h ARG 301 N 0.62 0.39 -0.98 0.00 3.08 -1.21 -2.75 114.38 113.53 3mft h ARG 301 Ca 0.10 -0.09 0.01 0.00 0.07 0.00 0.00 59.98 60.06 3mft h ARG 301 Cb 0.61 -0.05 -0.05 0.00 0.08 0.00 0.00 29.97 30.57 3mft h ARG 301 CO 0.04 0.49 0.63 0.00 -1.07 0.00 0.00 179.97 180.06 3mft h ARG 302 N 0.22 1.30 0.00 0.04 3.08 -1.36 -2.49 114.38 115.17 3mft h ARG 302 Ca 0.08 -0.09 -0.01 0.00 0.07 0.00 0.00 59.98 60.03 3mft h ARG 302 Cb 0.27 -0.29 -0.00 0.00 0.08 0.00 0.00 29.97 30.03 3mft h ARG 302 CO 0.00 0.87 -0.05 -0.22 -1.07 0.00 0.00 179.97 179.50 3mft h LYS 303 N 1.33 0.00 -0.10 0.04 1.63 -1.40 -2.53 116.57 115.54 3mft h LYS 303 Ca 0.36 0.00 -0.14 0.00 -0.85 0.00 0.00 60.65 60.01 3mft h LYS 303 Cb -0.13 0.00 0.01 0.00 -0.60 0.00 0.00 32.23 31.51 3mft h LYS 303 CO -0.07 0.05 -0.50 -0.07 -3.45 0.00 0.00 179.45 175.41 3mft h LEU 304 N 0.00 0.62 0.09 5.20 3.38 -1.14 -3.38 115.31 120.07 3mft h LEU 304 Ca -0.00 -0.64 -0.00 0.00 0.09 0.00 0.00 57.88 57.33 3mft h LEU 304 Cb 0.76 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.33 3mft h LEU 304 CO 0.01 1.16 -0.04 0.50 0.09 0.00 0.00 178.44 180.15 3mft h LYS 305 N 0.12 -0.11 0.00 1.13 3.64 -1.24 -3.52 116.57 116.59 3mft h LYS 305 Ca -0.03 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 3mft h LYS 305 Cb 1.14 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.99 3mft h LYS 305 CO 0.10 0.32 0.00 0.41 -2.27 0.00 0.00 179.45 178.01