#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fml s PHE 4 N 0.00 0.08 0.00 1.08 0.40 -1.26 -5.00 117.98 113.28 2fml s PHE 4 Ca 0.00 0.01 0.00 0.00 -0.60 0.00 0.00 56.93 56.34 2fml s PHE 4 Cb 0.00 -0.10 0.00 0.00 0.51 0.00 0.00 43.02 43.43 2fml s PHE 4 CO 0.00 -0.03 0.00 0.00 0.70 0.00 0.00 175.22 175.89 2fml n ALA 5 N 3.33 0.00 -2.71 5.36 0.00 -1.26 -4.94 120.51 120.29 2fml n ALA 5 Ca -0.16 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.19 2fml n ALA 5 Cb 0.57 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.96 2fml n ALA 5 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2fml s SER 6 N -4.00 0.03 0.17 0.00 1.04 -1.26 -5.02 113.70 104.66 2fml s SER 6 Ca 0.00 -0.72 -0.16 0.00 0.48 0.00 0.00 55.95 55.55 2fml s SER 6 Cb 0.00 0.41 0.11 0.00 0.10 0.00 0.00 66.02 66.64 2fml s SER 6 CO 0.00 -0.84 1.71 0.11 0.98 0.00 0.00 173.24 175.21 2fml h LYS 7 N 2.59 0.16 -0.36 4.02 1.79 -2.00 -2.08 116.57 120.69 2fml h LYS 7 Ca -0.33 -0.01 0.07 0.00 -2.18 0.00 0.00 60.65 58.20 2fml h LYS 7 Cb 1.22 -0.04 -0.06 0.00 -1.58 0.00 0.00 32.23 31.78 2fml h LYS 7 CO 0.51 0.11 -0.01 0.00 -1.08 0.00 0.00 179.45 178.97 2fml h ALA 8 N 1.32 0.31 -0.61 3.86 0.00 -2.00 -1.95 119.26 120.19 2fml h ALA 8 Ca 0.19 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.20 2fml h ALA 8 Cb 0.25 0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 2fml h ALA 8 CO -0.28 -0.41 0.35 1.49 0.00 0.00 0.00 179.25 180.41 2fml h GLU 9 N 0.09 0.83 -0.24 0.00 4.81 -1.94 -2.58 114.58 115.56 2fml h GLU 9 Ca 0.17 -0.08 0.04 0.00 -0.13 0.00 0.00 59.36 59.36 2fml h GLU 9 Cb 0.24 -0.17 -0.04 0.00 0.63 0.00 0.00 28.75 29.42 2fml h GLU 9 CO -0.30 0.61 0.01 1.49 -0.73 0.00 0.00 179.01 180.10 2fml h GLU 10 N 0.82 0.09 -0.37 1.92 4.81 -1.10 -2.12 114.58 118.63 2fml h GLU 10 Ca 0.22 -0.01 -0.15 0.00 -0.13 0.00 0.00 59.36 59.30 2fml h GLU 10 Cb 0.00 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.35 2fml h GLU 10 CO -0.04 0.06 -0.34 -0.22 -0.73 0.00 0.00 179.01 177.74 2fml h LYS 11 N 0.09 0.86 0.00 1.92 3.64 -1.22 -2.59 116.57 119.27 2fml h LYS 11 Ca 0.11 -0.42 -0.05 0.00 -1.27 0.00 0.00 60.65 59.02 2fml h LYS 11 Cb 0.13 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.94 2fml h LYS 11 CO -0.17 1.06 -0.37 -2.95 -2.27 0.00 0.00 179.45 174.75 2fml h ASN 12 N 0.71 0.00 -0.45 4.20 -1.07 -1.46 -1.18 115.58 116.32 2fml h ASN 12 Ca 0.07 0.00 0.06 0.00 0.07 0.00 0.00 56.30 56.50 2fml h ASN 12 Cb 0.91 0.00 -0.05 0.00 -2.07 0.00 0.00 38.32 37.10 2fml h ASN 12 CO 0.08 0.24 0.14 0.22 0.07 0.00 0.00 177.43 178.19 2fml h TYR 13 N 0.00 0.25 -0.24 4.14 5.03 -1.30 0.99 116.97 125.84 2fml h TYR 13 Ca -0.01 0.02 -0.13 0.00 2.58 0.00 0.00 58.73 61.19 2fml h TYR 13 Cb 1.19 -0.04 -0.00 0.00 1.55 0.00 0.00 36.73 39.43 2fml h TYR 13 CO 0.00 0.07 -0.36 1.88 -1.32 0.00 0.00 178.16 178.44 2fml h TYR 14 N 0.30 0.81 -0.60 -3.82 -1.99 -1.32 0.12 116.97 110.48 2fml h TYR 14 Ca 0.22 -0.27 -0.03 0.00 2.00 0.00 0.00 58.73 60.65 2fml h TYR 14 Cb 0.23 -0.16 -0.03 0.00 2.00 0.00 0.00 36.73 38.78 2fml h TYR 14 CO -0.17 1.03 0.27 0.93 -0.00 0.00 0.00 178.16 180.22 2fml h GLU 15 N 0.37 0.87 0.00 4.88 5.08 -1.17 -3.35 114.58 121.26 2fml h GLU 15 Ca 0.02 -0.14 -0.02 0.00 -1.00 0.00 0.00 59.36 58.22 2fml h GLU 15 Cb 0.94 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 30.04 2fml h GLU 15 CO 0.08 0.72 -1.38 0.54 -1.00 0.00 0.00 179.01 177.96 2fml n ARG 16 N -4.51 0.63 -0.05 2.33 1.74 0.33 -4.79 116.66 112.34 2fml n ARG 16 Ca 0.04 -0.06 -0.09 0.00 -0.77 0.00 0.00 57.85 56.97 2fml n ARG 16 Cb 0.14 -1.19 -0.04 0.00 -1.02 0.00 0.00 32.46 30.34 2fml n ARG 16 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 2fml n GLN 17 N -1.85 0.25 -0.81 5.56 3.00 -0.13 -5.02 117.38 118.38 2fml n GLN 17 Ca -0.03 0.07 -0.30 0.00 -0.01 0.00 0.00 57.00 56.73 2fml n GLN 17 Cb 0.29 -1.10 0.17 0.00 0.00 0.00 0.00 30.24 29.60 2fml n GLN 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2fml s ALA 18 N -2.20 1.24 0.85 -1.58 0.00 -0.30 -5.02 121.76 114.75 2fml s ALA 18 Ca -0.14 0.34 -0.12 0.00 0.00 0.00 0.00 51.96 52.04 2fml s ALA 18 Cb 0.04 -3.36 0.10 0.00 0.00 0.00 0.00 23.12 19.91 2fml s ALA 18 CO 0.22 -2.77 1.16 -1.54 0.00 0.00 0.00 175.76 172.83 2fml s SER 19 N -2.83 4.07 0.07 0.00 1.04 -1.26 -4.81 113.70 109.98 2fml s SER 19 Ca 0.66 0.88 -0.23 0.00 0.48 0.00 0.00 55.95 57.75 2fml s SER 19 Cb -0.22 -1.43 -0.14 0.00 0.10 0.00 0.00 66.02 64.34 2fml s SER 19 CO 0.59 -2.19 1.63 0.25 0.98 0.00 0.00 173.24 174.50 2fml h LEU 20 N -1.25 0.08 0.00 2.42 5.85 -1.95 0.11 115.31 120.56 2fml h LEU 20 Ca -0.48 -0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.11 2fml h LEU 20 Cb 1.33 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.34 2fml h LEU 20 CO 0.64 0.18 0.00 0.00 -0.34 0.00 0.00 178.44 178.92 2fml n ALA 21 N -2.17 0.00 0.08 1.25 0.00 -1.26 -1.86 120.51 116.54 2fml n ALA 21 Ca -0.06 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.29 2fml n ALA 21 Cb 0.09 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.56 2fml n ALA 21 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 2fml h GLU 22 N 0.00 0.26 -0.69 0.00 4.11 -1.79 -1.79 114.58 114.67 2fml h GLU 22 Ca 0.00 -0.24 0.13 0.00 0.07 0.00 0.00 59.36 59.32 2fml h GLU 22 Cb 0.00 0.06 -0.13 0.00 0.50 0.00 0.00 28.75 29.18 2fml h GLU 22 CO 0.00 0.93 -0.25 0.35 0.07 0.00 0.00 179.01 180.11 2fml h PHE 23 N 0.16 -0.62 0.04 2.06 3.04 -0.69 0.92 116.94 121.85 2fml h PHE 23 Ca -0.04 0.07 -0.33 0.00 3.98 0.00 0.00 57.97 61.66 2fml h PHE 23 Cb 1.39 0.38 -0.04 0.00 2.56 0.00 0.00 35.95 40.23 2fml h PHE 23 CO 0.03 -0.34 -1.89 1.28 -2.02 0.00 0.00 178.31 175.37 2fml n LEU 24 N -5.47 1.44 -0.14 0.59 4.77 -0.78 -0.11 117.00 117.30 2fml n LEU 24 Ca 0.08 0.29 -0.09 0.00 -0.03 0.00 0.00 56.01 56.26 2fml n LEU 24 Cb 0.37 -0.25 -0.01 0.00 -2.33 0.00 0.00 43.42 41.20 2fml n LEU 24 CO -0.00 0.57 0.89 0.74 -1.33 0.00 0.00 177.39 178.25 2fml h THR 25 N 0.02 1.22 -0.15 -5.08 2.02 -0.85 -2.55 112.91 107.55 2fml h THR 25 Ca -0.36 -0.72 -0.02 0.00 0.77 0.00 0.00 66.41 66.08 2fml h THR 25 Cb 2.04 0.91 -0.01 0.00 -1.74 0.00 0.00 68.15 69.35 2fml h THR 25 CO 0.07 0.25 0.01 -0.25 0.37 0.00 0.00 175.52 175.98 2fml h TRP 26 N 0.52 0.27 -0.56 3.16 7.01 -0.63 -3.30 115.95 122.42 2fml h TRP 26 Ca 0.13 -0.04 0.06 0.00 2.11 0.00 0.00 58.89 61.15 2fml h TRP 26 Cb 0.26 -0.07 -0.05 0.00 -2.10 0.00 0.00 29.16 27.19 2fml h TRP 26 CO 0.01 0.45 0.26 -0.92 -2.79 0.00 0.00 178.44 175.44 2fml h TYR 27 N 0.01 0.46 0.00 2.65 3.20 -0.38 -2.37 116.97 120.55 2fml h TYR 27 Ca 0.04 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.94 2fml h TYR 27 Cb 0.33 -0.13 0.00 0.00 1.54 0.00 0.00 36.73 38.47 2fml h TYR 27 CO 0.02 0.19 0.00 0.72 -1.64 0.00 0.00 178.16 177.46 2fml n HIS 28 N -4.91 0.06 1.03 -3.82 8.25 -0.97 -2.14 115.22 112.72 2fml n HIS 28 Ca 0.06 0.02 0.11 0.00 -0.26 0.00 0.00 57.72 57.66 2fml n HIS 28 Cb 0.19 -0.54 0.03 0.00 1.12 0.00 0.00 29.99 30.79 2fml n HIS 28 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 2fml n GLN 29 N -1.56 0.94 -2.81 -0.41 1.13 -0.90 -4.98 117.38 108.80 2fml n GLN 29 Ca 0.03 -0.76 -0.35 0.00 -1.94 0.00 0.00 57.00 53.99 2fml n GLN 29 Cb 0.17 -1.48 -0.07 0.00 0.11 0.00 0.00 30.24 28.97 2fml n GLN 29 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 2fml s GLN 30 N -2.58 4.41 -0.64 -1.09 -1.52 -0.91 -5.00 119.66 112.33 2fml s GLN 30 Ca 0.17 1.22 -0.27 0.00 -1.95 0.00 0.00 55.36 54.53 2fml s GLN 30 Cb 0.18 -2.52 0.00 0.00 -0.22 0.00 0.00 33.01 30.45 2fml s GLN 30 CO 0.62 0.14 1.60 -1.21 -0.25 0.00 0.00 175.29 176.19 2fml s GLU 31 N -2.56 2.93 0.14 2.91 2.02 -1.26 -5.00 118.70 117.88 2fml s GLU 31 Ca 0.55 0.32 -0.25 0.00 0.02 0.00 0.00 54.97 55.62 2fml s GLU 31 Cb -0.14 -4.28 -0.07 0.00 0.10 0.00 0.00 34.13 29.74 2fml s GLU 31 CO 0.19 -2.40 0.76 -0.51 0.02 0.00 0.00 175.26 173.32 2fml s LEU 32 N 7.47 4.56 0.60 1.80 1.43 -1.26 -5.03 118.68 128.25 2fml s LEU 32 Ca 0.55 1.59 -0.18 0.00 -1.03 0.00 0.00 54.13 55.05 2fml s LEU 32 Cb -0.11 -3.26 -0.03 0.00 0.03 0.00 0.00 46.19 42.82 2fml s LEU 32 CO 0.20 0.17 1.15 -2.16 0.23 0.00 0.00 176.35 175.94 2fml s PRO 33 N -0.92 3.01 -0.09 1.29 0.04 -1.26 -4.97 135.00 132.10 2fml s PRO 33 Ca 0.36 1.61 -0.03 0.00 0.04 0.00 0.00 61.00 62.98 2fml s PRO 33 Cb -0.22 -1.96 -0.04 0.00 0.04 0.00 0.00 34.50 32.32 2fml s PRO 33 CO 0.25 -1.12 0.06 -2.00 0.04 0.00 0.00 177.00 174.23 2fml s GLU 34 N -3.57 3.15 0.11 4.56 2.56 -1.26 -5.09 118.70 119.16 2fml s GLU 34 Ca 0.72 -0.32 -0.03 0.00 0.00 0.00 0.00 54.97 55.34 2fml s GLU 34 Cb -0.25 -2.93 -0.03 0.00 2.00 0.00 0.00 34.13 32.92 2fml s GLU 34 CO 0.34 0.72 0.10 1.52 -0.56 0.00 0.00 175.26 177.38 2fml s TYR 35 N -0.97 0.62 0.43 5.30 -0.85 -1.26 -5.15 117.35 115.47 2fml s TYR 35 Ca 0.15 -1.04 -0.26 0.00 -0.52 0.00 0.00 57.07 55.41 2fml s TYR 35 Cb -0.12 -0.33 -0.09 0.00 0.38 0.00 0.00 41.96 41.81 2fml s TYR 35 CO 0.04 -0.53 1.37 -1.21 -1.52 0.00 0.00 175.55 173.70 2fml s GLU 36 N -3.98 3.84 0.05 -3.49 2.02 -1.26 -5.06 118.70 110.82 2fml s GLU 36 Ca 0.17 2.29 0.03 0.00 0.02 0.00 0.00 54.97 57.48 2fml s GLU 36 Cb 0.06 -2.72 -0.03 0.00 0.10 0.00 0.00 34.13 31.55 2fml s GLU 36 CO -0.03 -0.64 -0.09 0.15 0.02 0.00 0.00 175.26 174.67 2fml s LYS 37 N -2.33 0.59 0.57 1.61 1.02 -1.26 -5.16 119.74 114.77 2fml s LYS 37 Ca 0.59 -0.82 -0.08 0.00 0.02 0.00 0.00 55.97 55.68 2fml s LYS 37 Cb -0.41 -0.37 -0.03 0.00 -0.52 0.00 0.00 37.83 36.50 2fml s LYS 37 CO 0.53 0.07 0.91 -1.25 -0.92 0.00 0.00 175.35 174.69 2fml s PRO 38 N -1.73 3.40 0.35 -1.68 0.04 -1.26 -4.90 135.00 129.21 2fml s PRO 38 Ca -0.07 0.38 -0.26 0.00 0.04 0.00 0.00 61.00 61.08 2fml s PRO 38 Cb -0.09 -2.23 -0.09 0.00 0.04 0.00 0.00 34.50 32.13 2fml s PRO 38 CO 0.00 -0.48 1.08 -1.12 0.04 0.00 0.00 177.00 176.52 2fml s SER 39 N -4.19 6.96 -0.18 6.66 0.01 0.48 -4.94 113.70 118.50 2fml s SER 39 Ca 0.52 2.15 -0.03 0.00 1.31 0.00 0.00 55.95 59.90 2fml s SER 39 Cb -0.11 -2.60 -0.01 0.00 0.21 0.00 0.00 66.02 63.51 2fml s SER 39 CO 0.49 -0.35 -0.07 -0.22 0.41 0.00 0.00 173.24 173.50 2fml s LEU 40 N -2.12 2.92 0.36 2.44 2.96 -1.26 -0.20 118.68 123.78 2fml s LEU 40 Ca 0.52 -0.32 0.04 0.00 -0.22 0.00 0.00 54.13 54.15 2fml s LEU 40 Cb -0.27 -1.71 -0.06 0.00 0.50 0.00 0.00 46.19 44.65 2fml s LEU 40 CO 0.34 0.07 0.06 0.42 -1.32 0.00 0.00 176.35 175.92 2fml s THR 41 N 0.93 1.15 0.06 3.68 -4.23 0.13 -0.83 115.64 116.53 2fml s THR 41 Ca -0.01 -2.00 0.04 0.00 -1.18 0.00 0.00 61.69 58.55 2fml s THR 41 Cb -0.15 -2.70 -0.03 0.00 1.34 0.00 0.00 72.50 70.97 2fml s THR 41 CO 0.01 0.00 -0.13 0.68 -0.54 0.00 0.00 174.62 174.64 2fml s VAL 42 N -3.21 0.98 0.00 2.29 -7.23 -0.24 -1.00 120.40 112.00 2fml s VAL 42 Ca 0.32 -1.16 0.00 0.00 -1.81 0.00 0.00 61.98 59.34 2fml s VAL 42 Cb 0.07 -0.95 0.00 0.00 0.56 0.00 0.00 36.38 36.07 2fml s VAL 42 CO 0.15 -0.19 0.00 0.47 -0.31 0.00 0.00 175.10 175.22 2fml n ASP 43 N 1.51 0.09 -3.16 4.85 8.00 -1.00 -1.10 116.55 125.73 2fml n ASP 43 Ca -0.20 -0.50 0.03 0.00 0.71 0.00 0.00 54.79 54.82 2fml n ASP 43 Cb 0.54 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.63 2fml n ASP 43 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2fml s VAL 45 N -1.44 -0.97 -0.26 2.53 1.01 0.10 -0.65 120.40 120.72 2fml s VAL 45 Ca 0.00 -0.01 -0.10 0.00 0.00 0.00 0.00 61.98 61.87 2fml s VAL 45 Cb 0.00 -0.99 -0.04 0.00 0.00 0.00 0.00 36.38 35.34 2fml s VAL 45 CO 0.00 -0.01 0.15 -0.76 0.00 0.00 0.00 175.10 174.47 2fml s LEU 46 N 2.83 3.90 -0.06 3.92 1.43 -1.26 -1.29 118.68 128.16 2fml s LEU 46 Ca 0.17 -0.01 0.06 0.00 -1.03 0.00 0.00 54.13 53.31 2fml s LEU 46 Cb -0.13 -2.06 -0.01 0.00 0.03 0.00 0.00 46.19 44.02 2fml s LEU 46 CO -0.23 0.00 -0.24 -0.76 0.23 0.00 0.00 176.35 175.35 2fml s LEU 47 N 1.43 2.05 0.00 1.79 1.43 -0.48 -2.07 118.68 122.84 2fml s LEU 47 Ca 0.07 -0.49 0.05 0.00 -1.03 0.00 0.00 54.13 52.73 2fml s LEU 47 Cb -0.15 -1.32 -0.02 0.00 0.03 0.00 0.00 46.19 44.73 2fml s LEU 47 CO 0.07 0.23 0.19 0.00 0.23 0.00 0.00 176.35 177.07 2fml s TYR 49 N -3.21 -0.13 -0.37 0.00 5.04 -1.26 -1.70 117.35 115.72 2fml s TYR 49 Ca 0.27 0.50 -0.28 0.00 -2.44 0.00 0.00 57.07 55.12 2fml s TYR 49 Cb 0.01 -0.25 0.02 0.00 0.35 0.00 0.00 41.96 42.10 2fml s TYR 49 CO 0.19 -0.22 1.04 1.21 -1.34 0.00 0.00 175.55 176.43 2fml s ASN 50 N 1.92 6.79 0.14 4.32 3.84 0.11 -4.84 114.94 127.21 2fml s ASN 50 Ca -0.00 0.78 -0.12 0.00 0.21 0.00 0.00 52.86 53.72 2fml s ASN 50 Cb -0.12 -2.52 -0.02 0.00 -0.55 0.00 0.00 41.25 38.05 2fml s ASN 50 CO -0.05 -0.94 1.52 0.11 -2.79 0.00 0.00 177.10 174.95 2fml h LYS 51 N 8.44 0.90 -0.50 0.43 1.57 -1.95 -0.12 116.57 125.34 2fml h LYS 51 Ca -0.22 -0.39 -0.08 0.00 -1.87 0.00 0.00 60.65 58.09 2fml h LYS 51 Cb 1.07 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 33.33 2fml h LYS 51 CO 1.03 1.04 0.01 0.93 -0.57 0.00 0.00 179.45 181.89 2fml h GLU 52 N 0.73 0.88 0.00 3.15 3.07 -1.98 -2.83 114.58 117.60 2fml h GLU 52 Ca 0.10 -0.28 0.00 0.00 -0.50 0.00 0.00 59.36 58.68 2fml h GLU 52 Cb 0.77 -0.08 0.00 0.00 -0.84 0.00 0.00 28.75 28.60 2fml h GLU 52 CO 0.06 0.91 -0.07 0.00 -1.40 0.00 0.00 179.01 178.52 2fml h ALA 53 N 0.94 0.97 -5.87 3.43 0.00 -1.99 -3.47 119.26 113.27 2fml h ALA 53 Ca 0.14 0.00 -0.37 0.00 0.00 0.00 0.00 54.91 54.68 2fml h ALA 53 Cb 0.51 0.00 0.11 0.00 0.00 0.00 0.00 17.79 18.41 2fml h ALA 53 CO 0.02 0.00 -0.79 -3.47 0.00 0.00 0.00 179.25 175.01 2fml n ASP 54 N -2.99 -1.84 -4.05 0.00 -0.08 -0.17 -5.01 116.55 102.41 2fml n ASP 54 Ca 0.04 -0.71 -0.31 0.00 -1.51 0.00 0.00 54.79 52.30 2fml n ASP 54 Cb 0.52 -4.62 -0.16 0.00 2.34 0.00 0.00 41.12 39.20 2fml n ASP 54 CO 0.00 0.00 0.00 -1.10 0.12 0.00 0.00 177.20 176.22 2fml s GLN 55 N -5.69 2.50 0.27 -0.67 -0.21 -0.54 -4.97 119.66 110.35 2fml s GLN 55 Ca 0.03 -0.71 -0.29 0.00 0.02 0.00 0.00 55.36 54.41 2fml s GLN 55 Cb -0.02 -2.32 -0.09 0.00 1.00 0.00 0.00 33.01 31.58 2fml s GLN 55 CO 0.77 -0.26 1.17 -0.51 -2.12 0.00 0.00 175.29 174.34 2fml s LEU 56 N 1.40 4.50 0.13 2.90 1.43 -1.26 0.05 118.68 127.83 2fml s LEU 56 Ca 0.04 2.36 0.05 0.00 -1.03 0.00 0.00 54.13 55.54 2fml s LEU 56 Cb -0.13 -3.63 -0.04 0.00 0.03 0.00 0.00 46.19 42.42 2fml s LEU 56 CO -0.11 -0.28 -0.12 -0.54 0.23 0.00 0.00 176.35 175.53 2fml s LYS 57 N -1.26 1.00 -0.01 1.70 1.02 -0.69 -0.24 119.74 121.25 2fml s LYS 57 Ca 0.47 -1.30 0.02 0.00 0.02 0.00 0.00 55.97 55.18 2fml s LYS 57 Cb -0.34 -0.72 -0.00 0.00 -0.52 0.00 0.00 37.83 36.25 2fml s LYS 57 CO 0.43 0.12 -0.07 0.54 -0.92 0.00 0.00 175.35 175.44 2fml s VAL 58 N -2.64 0.59 -0.04 3.17 0.11 0.25 -1.91 120.40 119.94 2fml s VAL 58 Ca 0.11 -0.29 -0.26 0.00 -2.93 0.00 0.00 61.98 58.61 2fml s VAL 58 Cb -0.02 -0.51 -0.04 0.00 -1.53 0.00 0.00 36.38 34.28 2fml s VAL 58 CO 0.02 0.18 0.80 -0.22 -3.33 0.00 0.00 175.10 172.54 2fml s LEU 59 N -0.00 4.34 0.12 2.54 0.20 -0.88 0.23 118.68 125.24 2fml s LEU 59 Ca 0.00 1.36 0.06 0.00 0.69 0.00 0.00 54.13 56.25 2fml s LEU 59 Cb -0.05 -3.25 -0.04 0.00 -0.43 0.00 0.00 46.19 42.42 2fml s LEU 59 CO -0.00 -0.15 -0.14 -0.76 -0.29 0.00 0.00 176.35 175.00 2fml s LEU 60 N 0.81 2.39 0.15 -0.68 1.43 -0.51 -4.66 118.68 117.61 2fml s LEU 60 Ca 0.42 -0.79 0.10 0.00 -1.03 0.00 0.00 54.13 52.83 2fml s LEU 60 Cb -0.19 -0.57 -0.04 0.00 0.03 0.00 0.00 46.19 45.42 2fml s LEU 60 CO 0.22 -0.13 -0.23 0.27 0.23 0.00 0.00 176.35 176.71 2fml s ILE 61 N -2.03 2.09 -0.31 -0.59 -4.36 -0.07 -1.85 121.20 114.09 2fml s ILE 61 Ca 0.08 -1.83 -0.16 0.00 -0.26 0.00 0.00 60.65 58.48 2fml s ILE 61 Cb -0.05 -1.91 -0.02 0.00 1.25 0.00 0.00 42.46 41.72 2fml s ILE 61 CO 0.03 -0.08 0.44 -1.58 0.24 0.00 0.00 174.94 173.99 2fml s GLN 62 N -2.35 3.83 0.25 0.37 0.74 -0.00 -0.55 119.66 121.95 2fml s GLN 62 Ca 0.15 -0.05 -0.30 0.00 0.05 0.00 0.00 55.36 55.21 2fml s GLN 62 Cb -0.09 -3.73 -0.10 0.00 1.10 0.00 0.00 33.01 30.20 2fml s GLN 62 CO 0.07 -0.45 1.35 1.03 -0.55 0.00 0.00 175.29 176.75 2fml s ARG 63 N 2.20 4.34 0.02 1.67 0.52 -0.20 0.03 118.95 127.53 2fml s ARG 63 Ca 0.17 2.18 0.22 0.00 -0.52 0.00 0.00 55.73 57.78 2fml s ARG 63 Cb -0.16 -3.13 -0.21 0.00 0.52 0.00 0.00 34.95 31.97 2fml s ARG 63 CO 0.11 -0.29 0.72 0.36 0.02 0.00 0.00 175.30 176.22 2fml n LYS 64 N 2.04 0.47 -4.45 3.54 2.85 -0.83 0.14 118.16 121.91 2fml n LYS 64 Ca 0.05 -0.09 -0.23 0.00 -1.05 0.00 0.00 58.31 56.99 2fml n LYS 64 Cb 0.42 -1.56 -0.10 0.00 -0.65 0.00 0.00 35.03 33.13 2fml n LYS 64 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 2fml s GLY 65 N -4.08 1.86 0.72 2.58 0.00 -1.26 -4.65 107.32 102.50 2fml s GLY 65 Ca -0.02 -1.90 -0.13 0.00 0.00 0.00 0.00 44.72 42.67 2fml s GLY 65 CO 0.87 -1.91 1.12 0.30 0.00 0.00 0.00 173.10 173.47 2fml s HIS 66 N -2.76 2.48 0.64 1.90 3.76 -1.26 -3.17 115.29 116.89 2fml s HIS 66 Ca 0.29 1.57 -0.15 0.00 -0.15 0.00 0.00 55.06 56.63 2fml s HIS 66 Cb 0.00 -3.17 -0.01 0.00 1.11 0.00 0.00 32.58 30.51 2fml s HIS 66 CO 0.13 -1.89 1.09 -1.25 -0.85 0.00 0.00 174.74 171.96 2fml s PRO 67 N -4.41 2.98 -1.21 8.40 0.04 -1.26 -4.86 135.00 134.68 2fml s PRO 67 Ca 0.66 1.30 -0.07 0.00 0.04 0.00 0.00 61.00 62.92 2fml s PRO 67 Cb -0.20 -1.98 0.01 0.00 0.04 0.00 0.00 34.50 32.37 2fml s PRO 67 CO 0.48 -1.10 1.05 1.19 0.04 0.00 0.00 177.00 178.67 2fml n PHE 68 N -2.35 -2.54 -1.60 0.56 3.72 -1.26 -4.94 117.46 109.06 2fml n PHE 68 Ca 0.10 0.91 -0.51 0.00 -0.05 0.00 0.00 57.45 57.90 2fml n PHE 68 Cb 0.52 -4.69 -0.06 0.00 -0.94 0.00 0.00 39.48 34.32 2fml n PHE 68 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 176.76 174.58 2fml n ARG 69 N -4.49 1.26 -0.65 -1.08 0.63 -1.19 -2.11 116.66 109.04 2fml n ARG 69 Ca -0.03 0.46 0.00 0.00 -0.92 0.00 0.00 57.85 57.36 2fml n ARG 69 Cb 0.57 -2.10 0.00 0.00 0.45 0.00 0.00 32.46 31.38 2fml n ARG 69 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 2fml n ASN 70 N 2.58 0.00 -4.85 6.15 3.02 0.12 -4.98 115.26 117.30 2fml n ASN 70 Ca 0.18 0.00 -0.32 0.00 -0.03 0.00 0.00 54.58 54.41 2fml n ASN 70 Cb 0.21 -0.46 -0.04 0.00 -0.61 0.00 0.00 39.78 38.88 2fml n ASN 70 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 2fml s SER 71 N -3.01 6.63 0.35 6.41 0.01 -0.90 -4.71 113.70 118.48 2fml s SER 71 Ca 0.00 1.49 -0.19 0.00 1.31 0.00 0.00 55.95 58.56 2fml s SER 71 Cb 0.00 -2.47 -0.10 0.00 0.21 0.00 0.00 66.02 63.66 2fml s SER 71 CO 0.00 -0.53 0.83 0.26 0.41 0.00 0.00 173.24 174.22 2fml s TRP 72 N -2.53 3.41 0.13 2.43 0.52 -1.26 -1.03 118.94 120.62 2fml s TRP 72 Ca 0.58 1.44 -0.22 0.00 0.02 0.00 0.00 56.10 57.91 2fml s TRP 72 Cb -0.10 -2.70 0.06 0.00 -1.15 0.00 0.00 33.47 29.59 2fml s TRP 72 CO 0.30 0.06 0.57 0.00 0.02 0.00 0.00 176.95 177.89 2fml s ALA 73 N -1.97 -1.49 0.59 0.98 0.00 0.29 -1.08 121.76 119.08 2fml s ALA 73 Ca 0.55 0.46 -0.19 0.00 0.00 0.00 0.00 51.96 52.79 2fml s ALA 73 Cb -0.11 0.77 -0.04 0.00 0.00 0.00 0.00 23.12 23.74 2fml s ALA 73 CO 0.17 -0.71 1.18 -0.51 0.00 0.00 0.00 175.76 175.89 2fml s LEU 74 N -2.61 3.66 0.39 0.00 1.43 -1.26 -0.89 118.68 119.40 2fml s LEU 74 Ca 0.00 2.30 -0.26 0.00 -1.03 0.00 0.00 54.13 55.14 2fml s LEU 74 Cb -0.00 -4.59 -0.09 0.00 0.03 0.00 0.00 46.19 41.54 2fml s LEU 74 CO -0.11 -1.51 1.22 -2.16 0.23 0.00 0.00 176.35 174.02 2fml s PRO 75 N -3.39 4.09 0.00 1.29 0.04 -1.26 -4.79 135.00 130.98 2fml s PRO 75 Ca 0.75 1.97 0.00 0.00 0.04 0.00 0.00 61.00 63.76 2fml s PRO 75 Cb -0.28 -2.77 0.00 0.00 0.04 0.00 0.00 34.50 31.50 2fml s PRO 75 CO 0.32 -0.33 0.00 0.41 0.04 0.00 0.00 177.00 177.44 2fml n GLY 76 N 0.70 -1.31 0.00 0.56 0.00 -1.26 -4.46 105.19 99.41 2fml n GLY 76 Ca 0.03 -0.96 0.00 0.00 0.00 0.00 0.00 46.02 45.10 2fml n GLY 76 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2fml n GLY 77 N -0.07 -1.39 3.72 -0.02 0.00 -0.26 -4.96 105.19 102.21 2fml n GLY 77 Ca 0.00 -0.98 -0.42 0.00 0.00 0.00 0.00 46.02 44.62 2fml n GLY 77 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2fml s PHE 78 N -2.68 3.63 0.17 1.61 0.08 -1.26 -1.08 117.98 118.44 2fml s PHE 78 Ca 0.00 1.61 -0.30 0.00 0.12 0.00 0.00 56.93 58.36 2fml s PHE 78 Cb 0.00 -3.20 -0.07 0.00 -0.57 0.00 0.00 43.02 39.17 2fml s PHE 78 CO 0.00 -0.37 0.94 0.14 -0.10 0.00 0.00 175.22 175.83 2fml s VAL 79 N 0.60 4.32 0.25 -0.44 -7.23 -0.01 -4.92 120.40 112.97 2fml s VAL 79 Ca 0.52 2.06 -0.19 0.00 -1.81 0.00 0.00 61.98 62.56 2fml s VAL 79 Cb -0.25 -4.31 -0.09 0.00 0.56 0.00 0.00 36.38 32.29 2fml s VAL 79 CO 0.30 0.40 0.74 0.20 -0.31 0.00 0.00 175.10 176.43 2fml s ASN 80 N -0.54 7.01 0.40 4.85 0.02 -1.26 -4.83 114.94 120.58 2fml s ASN 80 Ca 0.44 1.42 0.22 0.00 -1.02 0.00 0.00 52.86 53.91 2fml s ASN 80 Cb -0.24 -2.42 1.23 0.00 0.02 0.00 0.00 41.25 39.84 2fml s ASN 80 CO 0.30 -0.03 1.68 -0.09 0.02 0.00 0.00 177.10 178.98 2fml h ARG 81 N 3.14 0.24 -0.79 -0.60 1.12 -2.01 -1.74 114.38 113.73 2fml h ARG 81 Ca -0.48 -0.01 -0.04 0.00 -1.11 0.00 0.00 59.98 58.34 2fml h ARG 81 Cb 1.19 -0.05 -0.02 0.00 -0.01 0.00 0.00 29.97 31.07 2fml h ARG 81 CO 0.65 0.16 0.05 0.27 -3.11 0.00 0.00 179.97 177.98 2fml n ASN 82 N -4.78 3.65 -4.00 -3.80 6.94 -1.26 -4.91 115.26 107.09 2fml n ASN 82 Ca 0.32 -2.57 -0.16 0.00 -0.02 0.00 0.00 54.58 52.15 2fml n ASN 82 Cb 1.14 -0.62 -0.14 0.00 -2.36 0.00 0.00 39.78 37.80 2fml n ASN 82 CO 0.00 0.00 0.00 -1.61 -1.03 0.00 0.00 177.26 174.62 2fml s GLU 83 N -1.98 0.55 0.77 -3.83 2.02 -0.66 -5.13 118.70 110.44 2fml s GLU 83 Ca 0.31 -0.34 -0.12 0.00 0.02 0.00 0.00 54.97 54.84 2fml s GLU 83 Cb 0.24 -0.50 0.05 0.00 0.10 0.00 0.00 34.13 34.02 2fml s GLU 83 CO 0.09 0.13 1.13 -1.54 0.02 0.00 0.00 175.26 175.09 2fml s SER 84 N -0.42 4.87 0.22 -0.19 1.04 -1.26 -4.73 113.70 113.23 2fml s SER 84 Ca 0.01 0.99 -0.07 0.00 0.48 0.00 0.00 55.95 57.35 2fml s SER 84 Cb -0.04 -1.64 0.18 0.00 0.10 0.00 0.00 66.02 64.62 2fml s SER 84 CO -0.00 -1.69 1.81 0.71 0.98 0.00 0.00 173.24 175.04 2fml h THR 85 N -0.90 1.26 -0.25 2.02 1.35 -1.99 -1.53 112.91 112.88 2fml h THR 85 Ca -0.46 -0.77 0.06 0.00 -0.55 0.00 0.00 66.41 64.69 2fml h THR 85 Cb 1.29 0.21 -0.08 0.00 -1.73 0.00 0.00 68.15 67.85 2fml h THR 85 CO 0.64 0.32 -0.33 -0.33 -0.25 0.00 0.00 175.52 175.58 2fml h GLU 86 N 1.20 -0.32 -0.52 4.72 3.07 -1.99 0.24 114.58 120.99 2fml h GLU 86 Ca 0.29 0.02 0.07 0.00 -0.50 0.00 0.00 59.36 59.24 2fml h GLU 86 Cb 0.15 0.07 -0.06 0.00 -0.84 0.00 0.00 28.75 28.08 2fml h GLU 86 CO -0.03 -0.22 0.19 -0.44 -1.40 0.00 0.00 179.01 177.12 2fml h ASP 87 N -0.34 0.20 -0.43 1.42 3.32 -1.89 -2.84 116.42 115.87 2fml h ASP 87 Ca 0.13 0.06 -0.07 0.00 0.02 0.00 0.00 57.03 57.17 2fml h ASP 87 Cb 0.54 0.04 -0.02 0.00 0.22 0.00 0.00 39.33 40.12 2fml h ASP 87 CO -0.44 0.14 0.00 -1.28 -1.72 0.00 0.00 179.24 175.95 2fml h SER 88 N 0.38 0.74 0.01 6.45 0.87 -0.97 -1.82 113.55 119.21 2fml h SER 88 Ca 0.25 -0.31 -0.11 0.00 -1.23 0.00 0.00 61.79 60.39 2fml h SER 88 Cb 0.26 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 62.01 2fml h SER 88 CO -0.25 0.86 -0.34 1.62 -0.53 0.00 0.00 176.83 178.20 2fml h VAL 89 N 0.59 1.29 -0.51 2.23 3.04 -0.85 0.79 116.25 122.83 2fml h VAL 89 Ca 0.12 -1.42 -0.11 0.00 -1.01 0.00 0.00 66.70 64.28 2fml h VAL 89 Cb 0.48 1.49 -0.02 0.00 -2.01 0.00 0.00 31.29 31.24 2fml h VAL 89 CO 0.02 0.44 -0.10 -0.07 -1.01 0.00 0.00 177.57 176.86 2fml h LEU 90 N 0.39 0.97 -0.17 3.16 3.38 -1.40 -1.61 115.31 120.03 2fml h LEU 90 Ca 0.05 -0.35 -0.02 0.00 0.09 0.00 0.00 57.88 57.65 2fml h LEU 90 Cb 0.78 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 2fml h LEU 90 CO 0.06 1.09 0.03 -0.09 0.09 0.00 0.00 178.44 179.63 2fml h ARG 91 N 0.83 0.28 -0.48 1.13 2.43 -1.03 -2.69 114.38 114.86 2fml h ARG 91 Ca 0.13 -0.07 -0.05 0.00 -0.81 0.00 0.00 59.98 59.18 2fml h ARG 91 Cb 0.65 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.15 2fml h ARG 91 CO 0.05 0.44 0.09 0.93 -1.51 0.00 0.00 179.97 179.97 2fml h GLU 92 N 0.08 0.74 -0.21 0.20 4.39 -0.87 -0.48 114.58 118.43 2fml h GLU 92 Ca 0.05 -0.15 -0.07 0.00 0.34 0.00 0.00 59.36 59.53 2fml h GLU 92 Cb 0.29 -0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 28.83 2fml h GLU 92 CO 0.00 0.69 -0.14 1.15 -1.16 0.00 0.00 179.01 179.56 2fml h THR 93 N 0.72 1.32 -0.27 1.13 2.02 -1.34 -1.17 112.91 115.31 2fml h THR 93 Ca 0.16 -1.24 -0.00 0.00 0.77 0.00 0.00 66.41 66.09 2fml h THR 93 Cb 0.31 1.67 -0.01 0.00 -1.74 0.00 0.00 68.15 68.38 2fml h THR 93 CO 0.00 0.38 0.17 0.50 0.37 0.00 0.00 175.52 176.94 2fml h LYS 94 N 0.15 0.37 -0.72 6.66 3.64 -1.36 0.04 116.57 125.34 2fml h LYS 94 Ca 0.04 -0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 59.33 2fml h LYS 94 Cb 0.65 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.36 2fml h LYS 94 CO 0.04 0.28 0.23 0.93 -2.27 0.00 0.00 179.45 178.66 2fml h GLU 95 N 0.35 1.12 0.00 1.90 5.08 -1.01 -0.27 114.58 121.75 2fml h GLU 95 Ca 0.10 -0.24 -0.11 0.00 -1.00 0.00 0.00 59.36 58.11 2fml h GLU 95 Cb 0.01 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.07 2fml h GLU 95 CO -0.02 0.95 -0.94 0.93 -1.00 0.00 0.00 179.01 178.94 2fml h GLU 96 N 1.07 0.00 0.00 2.33 5.08 -1.20 -3.24 114.58 118.62 2fml h GLU 96 Ca 0.23 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 2fml h GLU 96 Cb 0.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.54 2fml h GLU 96 CO -0.01 0.32 -0.30 0.25 -1.00 0.00 0.00 179.01 178.27 2fml n THR 97 N -3.00 0.00 -0.65 1.13 -2.24 -0.00 -1.79 114.28 107.72 2fml n THR 97 Ca -0.03 -0.10 0.00 0.00 -2.27 0.00 0.00 64.05 61.65 2fml n THR 97 Cb 0.75 0.55 0.00 0.00 -2.10 0.00 0.00 70.33 69.53 2fml n THR 97 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2fml n GLY 98 N 0.95 1.46 3.71 3.38 0.00 -0.11 -0.89 105.19 113.69 2fml n GLY 98 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 2fml n GLY 98 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2fml s VAL 99 N -3.55 5.06 -0.40 1.61 1.01 -1.25 -4.87 120.40 118.01 2fml s VAL 99 Ca 0.00 1.34 -0.16 0.00 0.00 0.00 0.00 61.98 63.17 2fml s VAL 99 Cb 0.00 -4.00 0.01 0.00 0.00 0.00 0.00 36.38 32.39 2fml s VAL 99 CO 0.00 0.25 0.36 -0.69 0.00 0.00 0.00 175.10 175.02 2fml s VAL 100 N 0.90 5.18 0.14 2.92 1.01 -1.26 -3.23 120.40 126.06 2fml s VAL 100 Ca 0.35 -0.37 0.08 0.00 0.00 0.00 0.00 61.98 62.03 2fml s VAL 100 Cb -0.17 -3.93 -0.04 0.00 0.00 0.00 0.00 36.38 32.23 2fml s VAL 100 CO 0.16 -0.29 -0.07 0.27 0.00 0.00 0.00 175.10 175.17 2fml s ILE 101 N 1.92 3.41 0.28 2.22 -4.36 -1.26 -5.14 121.20 118.27 2fml s ILE 101 Ca 0.09 -1.42 0.04 0.00 -0.26 0.00 0.00 60.65 59.10 2fml s ILE 101 Cb -0.18 -2.65 -0.03 0.00 1.25 0.00 0.00 42.46 40.85 2fml s ILE 101 CO 0.12 -0.01 0.42 -0.94 0.24 0.00 0.00 174.94 174.77 2fml s SER 102 N -2.57 6.28 0.29 4.36 1.04 -1.26 -5.00 113.70 116.84 2fml s SER 102 Ca 0.24 0.16 -0.01 0.00 0.48 0.00 0.00 55.95 56.81 2fml s SER 102 Cb -0.10 -1.85 0.46 0.00 0.10 0.00 0.00 66.02 64.63 2fml s SER 102 CO 0.15 -0.17 1.93 -0.61 0.98 0.00 0.00 173.24 175.52 2fml h GLN 103 N 1.02 1.08 0.00 4.02 4.15 -1.96 -1.51 115.11 121.91 2fml h GLN 103 Ca -0.51 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 58.85 2fml h GLN 103 Cb 1.23 -0.24 0.00 0.00 0.21 0.00 0.00 27.48 28.68 2fml h GLN 103 CO 0.60 0.71 0.00 0.93 -1.93 0.00 0.00 178.83 179.15 2fml h GLU 104 N 1.11 0.00 -0.48 1.69 4.39 -2.03 -2.58 114.58 116.68 2fml h GLU 104 Ca 0.37 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.07 2fml h GLU 104 Cb 0.06 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.71 2fml h GLU 104 CO -0.12 0.00 0.00 0.09 -1.16 0.00 0.00 179.01 177.82 2fml n ASN 105 N -3.01 3.47 -4.62 1.42 3.02 -0.57 -4.94 115.26 110.02 2fml n ASN 105 Ca -0.01 -1.96 -0.28 0.00 -0.03 0.00 0.00 54.58 52.29 2fml n ASN 105 Cb 0.17 -0.32 -0.09 0.00 -0.61 0.00 0.00 39.78 38.93 2fml n ASN 105 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 2fml s ILE 106 N -1.20 3.54 0.01 2.41 -4.36 -0.97 -4.32 121.20 116.31 2fml s ILE 106 Ca 0.38 -1.39 0.05 0.00 -0.26 0.00 0.00 60.65 59.44 2fml s ILE 106 Cb 0.21 -2.73 -0.02 0.00 1.25 0.00 0.00 42.46 41.17 2fml s ILE 106 CO 0.29 -0.03 -0.17 -1.83 0.24 0.00 0.00 174.94 173.44 2fml s GLU 107 N -2.65 1.26 0.21 0.37 -1.05 -0.18 -5.00 118.70 111.67 2fml s GLU 107 Ca 0.25 -0.70 -0.30 0.00 -0.15 0.00 0.00 54.97 54.07 2fml s GLU 107 Cb -0.10 -1.26 -0.09 0.00 -0.44 0.00 0.00 34.13 32.23 2fml s GLU 107 CO 0.16 0.34 1.41 -1.14 0.95 0.00 0.00 175.26 176.98 2fml s GLN 108 N -0.71 4.30 -0.19 -4.83 0.74 -1.26 -1.11 119.66 116.59 2fml s GLN 108 Ca 0.06 2.21 -0.17 0.00 0.05 0.00 0.00 55.36 57.50 2fml s GLN 108 Cb -0.07 -3.15 -0.07 0.00 1.10 0.00 0.00 33.01 30.82 2fml s GLN 108 CO 0.00 -0.39 -0.35 -0.11 -0.55 0.00 0.00 175.29 173.89 2fml n LEU 109 N 2.74 1.94 -3.61 3.68 7.94 0.88 -4.83 117.00 125.75 2fml n LEU 109 Ca 0.08 0.33 -0.08 0.00 -1.11 0.00 0.00 56.01 55.23 2fml n LEU 109 Cb 0.41 -0.75 -0.05 0.00 0.53 0.00 0.00 43.42 43.56 2fml n LEU 109 CO 0.60 -0.14 0.90 -2.28 -1.11 0.00 0.00 177.39 175.35 2fml s HIS 110 N -2.85 -0.27 -0.17 1.96 5.04 -1.19 -5.02 115.29 112.80 2fml s HIS 110 Ca -0.30 0.51 -0.06 0.00 -1.54 0.00 0.00 55.06 53.66 2fml s HIS 110 Cb 0.06 0.45 -0.04 0.00 0.04 0.00 0.00 32.58 33.09 2fml s HIS 110 CO 0.44 -0.22 0.04 -1.12 -2.34 0.00 0.00 174.74 171.53 2fml s SER 111 N -0.85 5.48 -0.18 9.88 0.01 -1.26 -0.32 113.70 126.46 2fml s SER 111 Ca 0.02 0.07 -0.04 0.00 1.31 0.00 0.00 55.95 57.31 2fml s SER 111 Cb -0.01 -1.89 -0.02 0.00 0.21 0.00 0.00 66.02 64.30 2fml s SER 111 CO -0.03 0.20 -0.03 -0.36 0.41 0.00 0.00 173.24 173.44 2fml s PHE 112 N 0.19 3.01 0.00 2.43 0.08 -0.49 -4.98 117.98 118.21 2fml s PHE 112 Ca 0.03 -0.47 0.00 0.00 0.12 0.00 0.00 56.93 56.61 2fml s PHE 112 Cb -0.13 -2.03 0.00 0.00 -0.57 0.00 0.00 43.02 40.30 2fml s PHE 112 CO 0.01 -0.20 0.63 -1.13 -0.10 0.00 0.00 175.22 174.43 2fml n SER 113 N 4.01 0.00 -4.65 1.36 3.41 -1.26 -1.69 113.62 114.80 2fml n SER 113 Ca -0.17 -1.27 -0.47 0.00 -0.26 0.00 0.00 58.87 56.69 2fml n SER 113 Cb 0.52 -0.05 -0.04 0.00 -0.26 0.00 0.00 64.21 64.37 2fml n SER 113 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 2fml n ARG 114 N 0.00 1.94 0.28 4.33 0.63 -1.26 -4.80 116.66 117.78 2fml n ARG 114 Ca 0.00 0.70 0.19 0.00 -0.92 0.00 0.00 57.85 57.82 2fml n ARG 114 Cb 0.55 -2.43 0.99 0.00 0.45 0.00 0.00 32.46 32.02 2fml n ARG 114 CO 0.00 0.00 0.00 -1.35 -2.51 0.00 0.00 177.63 173.77 2fml h PRO 115 N 5.52 0.00 0.00 -0.14 0.11 -1.97 -2.30 132.00 133.21 2fml h PRO 115 Ca -0.45 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.65 2fml h PRO 115 Cb 1.27 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.36 2fml h PRO 115 CO 0.86 0.00 -0.30 -0.40 -0.21 0.00 0.00 178.00 177.95 2fml n ASP 116 N -2.81 1.85 0.28 -2.05 5.75 -1.26 -4.62 116.55 113.70 2fml n ASP 116 Ca -0.02 -3.28 0.16 0.00 -0.01 0.00 0.00 54.79 51.64 2fml n ASP 116 Cb 0.08 -0.45 0.85 0.00 -1.03 0.00 0.00 41.12 40.57 2fml n ASP 116 CO 0.00 0.00 0.00 0.08 -0.11 0.00 0.00 177.20 177.17 2fml h ARG 117 N 0.46 0.00 -4.88 0.11 0.11 -1.73 -3.42 114.38 105.03 2fml h ARG 117 Ca -0.01 0.00 -0.61 0.00 0.10 0.00 0.00 59.98 59.46 2fml h ARG 117 Cb 1.08 0.00 -0.34 0.00 1.11 0.00 0.00 29.97 31.82 2fml h ARG 117 CO 0.01 0.06 -0.85 0.34 0.10 0.00 0.00 179.97 179.63 2fml s ASP 118 N -5.88 2.62 0.00 0.08 -1.08 -1.26 -4.33 116.67 106.82 2fml s ASP 118 Ca -0.03 -0.48 0.04 0.00 -0.52 0.00 0.00 52.55 51.57 2fml s ASP 118 Cb 0.13 -1.19 0.19 0.00 -1.46 0.00 0.00 42.92 40.59 2fml s ASP 118 CO 0.54 0.04 1.14 -0.81 0.52 0.00 0.00 175.17 176.60 2fml n PRO 119 N 4.12 0.00 0.21 4.34 -0.04 -1.26 -2.61 135.00 139.76 2fml n PRO 119 Ca -0.19 0.42 0.09 0.00 -0.04 0.00 0.00 63.50 63.77 2fml n PRO 119 Cb 0.51 -1.50 0.42 0.00 -0.04 0.00 0.00 33.50 32.89 2fml n PRO 119 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2fml h ARG 120 N 0.00 0.00 0.00 0.54 3.08 -1.97 -3.49 114.38 112.54 2fml h ARG 120 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2fml h ARG 120 Cb 0.08 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.13 2fml h ARG 120 CO 0.00 0.26 0.00 0.41 -1.07 0.00 0.00 179.97 179.57 2fml n GLY 121 N 0.22 0.32 3.56 0.04 0.00 -1.07 -5.01 105.19 103.25 2fml n GLY 121 Ca 0.00 -0.94 -0.41 0.00 0.00 0.00 0.00 46.02 44.67 2fml n GLY 121 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 2fml s TRP 122 N -1.76 2.25 -0.07 1.61 -0.00 -1.26 -4.46 118.94 115.26 2fml s TRP 122 Ca 0.00 0.31 0.00 0.00 -0.00 0.00 0.00 56.10 56.41 2fml s TRP 122 Cb 0.00 -4.46 0.02 0.00 -0.00 0.00 0.00 33.47 29.03 2fml s TRP 122 CO 0.00 -2.00 -0.05 0.08 -0.00 0.00 0.00 176.95 174.98 2fml s VAL 123 N 6.15 0.67 -0.06 5.86 1.01 -1.26 -0.39 120.40 132.37 2fml s VAL 123 Ca 0.46 -0.12 0.04 0.00 0.00 0.00 0.00 61.98 62.36 2fml s VAL 123 Cb -0.10 -0.72 -0.02 0.00 0.00 0.00 0.00 36.38 35.54 2fml s VAL 123 CO 0.21 0.29 -0.19 -0.69 0.00 0.00 0.00 175.10 174.72 2fml s VAL 124 N 1.43 2.65 -0.04 2.92 1.01 0.73 -4.74 120.40 124.36 2fml s VAL 124 Ca -0.02 -0.86 0.06 0.00 0.00 0.00 0.00 61.98 61.16 2fml s VAL 124 Cb -0.13 -2.02 -0.02 0.00 0.00 0.00 0.00 36.38 34.21 2fml s VAL 124 CO -0.03 0.57 -0.22 0.28 0.00 0.00 0.00 175.10 175.69 2fml s THR 125 N -0.35 2.35 -0.35 3.92 -1.32 -0.68 0.22 115.64 119.43 2fml s THR 125 Ca 0.03 -0.99 -0.10 0.00 -1.21 0.00 0.00 61.69 59.42 2fml s THR 125 Cb -0.12 -1.85 0.02 0.00 -1.51 0.00 0.00 72.50 69.03 2fml s THR 125 CO 0.02 0.58 0.17 -0.69 -2.21 0.00 0.00 174.62 172.50 2fml s VAL 126 N -0.56 4.47 0.29 5.08 1.01 -0.17 -1.40 120.40 129.11 2fml s VAL 126 Ca 0.08 -0.75 -0.09 0.00 0.00 0.00 0.00 61.98 61.23 2fml s VAL 126 Cb -0.11 -3.42 -0.07 0.00 0.00 0.00 0.00 36.38 32.78 2fml s VAL 126 CO 0.00 -0.12 0.61 -0.94 0.00 0.00 0.00 175.10 174.65 2fml s SER 127 N 1.55 6.56 0.18 3.32 1.04 0.56 -2.39 113.70 124.53 2fml s SER 127 Ca 0.02 0.93 0.07 0.00 0.48 0.00 0.00 55.95 57.45 2fml s SER 127 Cb -0.18 -2.23 -0.04 0.00 0.10 0.00 0.00 66.02 63.66 2fml s SER 127 CO 0.06 -0.19 -0.14 -0.31 0.98 0.00 0.00 173.24 173.65 2fml s TYR 128 N -2.02 1.57 -0.04 5.02 2.02 0.18 -0.08 117.35 124.00 2fml s TYR 128 Ca 0.48 -0.61 0.03 0.00 -0.37 0.00 0.00 57.07 56.60 2fml s TYR 128 Cb -0.11 -0.76 -0.00 0.00 -0.40 0.00 0.00 41.96 40.69 2fml s TYR 128 CO 0.25 0.27 -0.13 -1.17 -1.57 0.00 0.00 175.55 173.20 2fml s LEU 129 N -3.13 1.85 -0.00 -1.29 2.96 -0.27 0.01 118.68 118.81 2fml s LEU 129 Ca 0.19 -0.28 -0.09 0.00 -0.22 0.00 0.00 54.13 53.73 2fml s LEU 129 Cb -0.01 -0.78 0.01 0.00 0.50 0.00 0.00 46.19 45.91 2fml s LEU 129 CO 0.05 0.11 0.18 0.00 -1.32 0.00 0.00 176.35 175.37 2fml s ALA 130 N 0.11 -0.45 -0.19 5.97 0.00 -0.41 -1.01 121.76 125.78 2fml s ALA 130 Ca -0.03 -0.00 -0.04 0.00 0.00 0.00 0.00 51.96 51.88 2fml s ALA 130 Cb -0.10 0.10 -0.02 0.00 0.00 0.00 0.00 23.12 23.10 2fml s ALA 130 CO 0.01 -0.22 -0.04 -0.06 0.00 0.00 0.00 175.76 175.45 2fml s PHE 131 N -1.35 2.97 0.32 0.00 0.08 -1.26 -1.38 117.98 117.37 2fml s PHE 131 Ca -0.14 -0.67 -0.01 0.00 0.12 0.00 0.00 56.93 56.23 2fml s PHE 131 Cb -0.07 -2.05 -0.01 0.00 -0.57 0.00 0.00 43.02 40.33 2fml s PHE 131 CO 0.02 -0.34 0.41 0.96 -0.10 0.00 0.00 175.22 176.17 2fml s ILE 132 N 1.05 0.00 0.77 0.64 -4.36 -0.50 -4.63 121.20 114.17 2fml s ILE 132 Ca 0.01 -1.70 -0.11 0.00 -0.26 0.00 0.00 60.65 58.59 2fml s ILE 132 Cb -0.15 -2.57 0.05 0.00 1.25 0.00 0.00 42.46 41.05 2fml s ILE 132 CO 0.00 0.00 1.10 -0.83 0.24 0.00 0.00 174.94 175.45 2fml s GLY 133 N -3.24 1.63 -1.29 6.27 0.00 -1.26 -4.30 107.32 105.13 2fml s GLY 133 Ca 0.33 -0.25 -0.17 0.00 0.00 0.00 0.00 44.72 44.62 2fml s GLY 133 CO 0.20 0.16 2.00 -2.21 0.00 0.00 0.00 173.10 173.24 2fml n GLU 134 N -3.29 2.68 -1.72 2.90 2.13 -1.26 -4.86 120.64 117.22 2fml n GLU 134 Ca 0.07 -2.72 -0.33 0.00 0.66 0.00 0.00 57.16 54.84 2fml n GLU 134 Cb 0.57 -3.35 0.05 0.00 0.27 0.00 0.00 31.44 28.97 2fml n GLU 134 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 2fml s GLU 135 N 4.09 2.76 0.52 5.31 0.41 -1.26 -5.01 118.70 125.51 2fml s GLU 135 Ca 0.53 1.39 -0.23 0.00 -0.41 0.00 0.00 54.97 56.25 2fml s GLU 135 Cb 0.09 -1.94 -0.06 0.00 -1.78 0.00 0.00 34.13 30.44 2fml s GLU 135 CO 0.02 -1.28 1.36 -0.35 -0.49 0.00 0.00 175.26 174.51 2fml n PRO 136 N -2.48 1.81 -5.22 0.39 -0.04 -1.26 -5.03 135.00 123.16 2fml n PRO 136 Ca 0.10 0.66 -0.30 0.00 -0.04 0.00 0.00 63.50 63.92 2fml n PRO 136 Cb 0.52 -2.57 -0.16 0.00 -0.04 0.00 0.00 33.50 31.25 2fml n PRO 136 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2fml s LEU 137 N -3.15 2.05 -0.09 1.53 1.43 -1.26 -4.74 118.68 114.45 2fml s LEU 137 Ca 0.69 -0.45 0.00 0.00 -1.03 0.00 0.00 54.13 53.34 2fml s LEU 137 Cb -0.43 -1.27 0.02 0.00 0.03 0.00 0.00 46.19 44.54 2fml s LEU 137 CO 0.51 0.28 -0.07 0.27 0.23 0.00 0.00 176.35 177.58 2fml s ILE 138 N -0.47 0.90 0.40 -0.59 -4.36 -0.07 -4.99 121.20 112.02 2fml s ILE 138 Ca 0.06 -0.25 -0.26 0.00 -0.26 0.00 0.00 60.65 59.94 2fml s ILE 138 Cb -0.10 -0.92 -0.11 0.00 1.25 0.00 0.00 42.46 42.58 2fml s ILE 138 CO 0.00 0.33 1.25 0.00 0.24 0.00 0.00 174.94 176.76 2fml n ALA 139 N 4.64 1.17 -2.21 2.27 0.00 -1.26 -2.91 120.51 122.21 2fml n ALA 139 Ca -0.15 0.29 -0.17 0.00 0.00 0.00 0.00 53.44 53.41 2fml n ALA 139 Cb 0.50 -2.24 0.12 0.00 0.00 0.00 0.00 19.45 17.83 2fml n ALA 139 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2fml n GLY 140 N 0.84 -0.12 0.32 0.00 0.00 -0.74 -4.86 105.19 100.62 2fml n GLY 140 Ca 0.06 -1.89 -0.03 0.00 0.00 0.00 0.00 46.02 44.16 2fml n GLY 140 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2fml h ASP 141 N -0.79 0.88 -0.01 1.61 3.58 -1.91 -2.70 116.42 117.08 2fml h ASP 141 Ca -0.28 -0.13 0.00 0.00 0.42 0.00 0.00 57.03 57.04 2fml h ASP 141 Cb 0.92 -0.23 0.00 0.00 1.72 0.00 0.00 39.33 41.74 2fml h ASP 141 CO 0.25 0.80 0.00 0.47 -2.88 0.00 0.00 179.24 177.89 2fml n ASP 142 N -4.29 0.15 -4.16 2.28 8.00 -1.26 -4.74 116.55 112.53 2fml n ASP 142 Ca 0.05 -1.43 -0.33 0.00 0.71 0.00 0.00 54.79 53.79 2fml n ASP 142 Cb 0.19 -0.01 -0.16 0.00 -0.02 0.00 0.00 41.12 41.12 2fml n ASP 142 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2fml s ALA 143 N -1.98 2.41 0.15 2.24 0.00 -1.02 -1.97 121.76 121.59 2fml s ALA 143 Ca 0.29 -1.20 0.07 0.00 0.00 0.00 0.00 51.96 51.12 2fml s ALA 143 Cb 0.14 -1.26 -0.09 0.00 0.00 0.00 0.00 23.12 21.91 2fml s ALA 143 CO 0.23 -0.33 1.34 0.87 0.00 0.00 0.00 175.76 177.86 2fml h LYS 144 N 7.91 0.03 -3.27 0.00 1.57 -0.68 -3.41 116.57 118.73 2fml h LYS 144 Ca -0.44 -0.05 -0.07 0.00 -1.87 0.00 0.00 60.65 58.23 2fml h LYS 144 Cb 1.15 0.02 -0.15 0.00 0.08 0.00 0.00 32.23 33.33 2fml h LYS 144 CO 0.63 0.94 -0.11 -1.21 -0.57 0.00 0.00 179.45 179.12 2fml s GLU 145 N -2.92 0.98 -0.09 3.15 2.02 -1.24 -4.95 118.70 115.66 2fml s GLU 145 Ca -0.00 -0.58 -0.04 0.00 0.02 0.00 0.00 54.97 54.37 2fml s GLU 145 Cb 0.10 0.43 0.05 0.00 0.10 0.00 0.00 34.13 34.81 2fml s GLU 145 CO 0.81 -0.36 0.19 0.54 0.02 0.00 0.00 175.26 176.47 2fml s VAL 146 N -3.22 -0.14 0.02 2.63 0.11 -1.26 -0.82 120.40 117.71 2fml s VAL 146 Ca -0.01 0.23 -0.12 0.00 -2.93 0.00 0.00 61.98 59.15 2fml s VAL 146 Cb 0.01 -0.32 0.01 0.00 -1.53 0.00 0.00 36.38 34.55 2fml s VAL 146 CO -0.08 0.09 0.25 -1.00 -3.33 0.00 0.00 175.10 171.04 2fml s HIS 147 N 1.62 -0.07 -0.46 1.54 3.76 -0.77 -4.96 115.29 115.95 2fml s HIS 147 Ca -0.05 -0.02 -0.27 0.00 -0.15 0.00 0.00 55.06 54.57 2fml s HIS 147 Cb -0.11 0.04 0.03 0.00 1.11 0.00 0.00 32.58 33.65 2fml s HIS 147 CO -0.07 -0.42 1.01 -1.58 -0.85 0.00 0.00 174.74 172.83 2fml s TRP 148 N -2.02 2.89 0.11 1.40 0.52 -1.26 -1.42 118.94 119.16 2fml s TRP 148 Ca -0.09 0.54 -0.26 0.00 0.02 0.00 0.00 56.10 56.31 2fml s TRP 148 Cb -0.03 -4.14 -0.07 0.00 -1.15 0.00 0.00 33.47 28.09 2fml s TRP 148 CO -0.00 -1.15 0.80 -0.06 0.02 0.00 0.00 176.95 176.56 2fml s PHE 149 N 4.02 3.82 0.18 -1.98 0.40 0.14 -4.83 117.98 119.72 2fml s PHE 149 Ca 0.41 1.59 -0.32 0.00 -0.60 0.00 0.00 56.93 58.02 2fml s PHE 149 Cb -0.09 -2.84 -0.11 0.00 0.51 0.00 0.00 43.02 40.49 2fml s PHE 149 CO 0.28 0.36 1.77 -1.71 0.70 0.00 0.00 175.22 176.63 2fml n ASN 150 N 2.29 4.03 -4.18 1.36 5.15 0.61 -0.58 115.26 123.94 2fml n ASN 150 Ca -0.03 1.03 -0.34 0.00 -0.60 0.00 0.00 54.58 54.64 2fml n ASN 150 Cb 0.49 -1.57 -0.15 0.00 -0.53 0.00 0.00 39.78 38.03 2fml n ASN 150 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 2fml s LEU 151 N 1.79 2.51 -0.04 1.20 2.96 0.67 -0.40 118.68 127.37 2fml s LEU 151 Ca 0.78 -0.63 0.02 0.00 -0.22 0.00 0.00 54.13 54.08 2fml s LEU 151 Cb -0.49 -1.57 0.01 0.00 0.50 0.00 0.00 46.19 44.63 2fml s LEU 151 CO 0.34 -0.03 -0.10 -0.70 -1.32 0.00 0.00 176.35 174.55 2fml s GLU 152 N 1.34 1.18 -0.13 1.98 2.12 -0.21 -4.09 118.70 120.90 2fml s GLU 152 Ca 0.04 -0.32 -0.21 0.00 0.36 0.00 0.00 54.97 54.84 2fml s GLU 152 Cb -0.14 -1.06 -0.03 0.00 0.26 0.00 0.00 34.13 33.16 2fml s GLU 152 CO -0.09 0.07 0.62 0.50 -0.54 0.00 0.00 175.26 175.82 2fml s ARG 153 N 0.43 4.33 -0.43 4.30 3.52 -1.26 -0.42 118.95 129.42 2fml s ARG 153 Ca -0.08 0.68 0.02 0.00 -0.13 0.00 0.00 55.73 56.23 2fml s ARG 153 Cb -0.12 -3.49 0.13 0.00 -1.56 0.00 0.00 34.95 29.90 2fml s ARG 153 CO 0.01 -0.03 0.20 -1.01 -0.81 0.00 0.00 175.30 173.66 2fml s HIS 154 N 1.19 2.34 0.00 5.12 3.76 0.40 -4.76 115.29 123.34 2fml s HIS 154 Ca 0.31 -2.52 0.00 0.00 -0.15 0.00 0.00 55.06 52.70 2fml s HIS 154 Cb -0.16 -2.14 0.00 0.00 1.11 0.00 0.00 32.58 31.39 2fml s HIS 154 CO 0.13 -0.81 0.00 0.41 -0.85 0.00 0.00 174.74 173.63 2fml n GLY 155 N 3.73 2.61 1.50 -2.22 0.00 -1.26 -2.39 105.19 107.15 2fml n GLY 155 Ca 0.06 -0.12 0.09 0.00 0.00 0.00 0.00 46.02 46.05 2fml n GLY 155 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2fml n GLN 156 N 8.39 3.65 -4.34 1.61 1.13 -1.26 -4.93 117.38 121.63 2fml n GLN 156 Ca 0.00 -2.85 -0.22 0.00 -1.94 0.00 0.00 57.00 51.99 2fml n GLN 156 Cb 0.00 -1.86 -0.11 0.00 0.11 0.00 0.00 30.24 28.38 2fml n GLN 156 CO 0.00 0.00 0.00 -1.01 -1.44 0.00 0.00 177.06 174.61 2fml s HIS 157 N -1.85 1.86 0.02 1.08 3.76 -1.01 0.06 115.29 119.22 2fml s HIS 157 Ca 0.49 -0.46 0.05 0.00 -0.15 0.00 0.00 55.06 55.00 2fml s HIS 157 Cb 0.32 -0.93 -0.02 0.00 1.11 0.00 0.00 32.58 33.06 2fml s HIS 157 CO 0.23 0.34 -0.16 0.96 -0.85 0.00 0.00 174.74 175.27 2fml s ILE 158 N -2.01 1.29 -0.09 0.60 -4.36 -0.46 -0.45 121.20 115.72 2fml s ILE 158 Ca 0.16 -0.94 0.04 0.00 -0.26 0.00 0.00 60.65 59.66 2fml s ILE 158 Cb -0.06 -1.12 -0.00 0.00 1.25 0.00 0.00 42.46 42.52 2fml s ILE 158 CO 0.07 0.17 -0.23 -0.89 0.24 0.00 0.00 174.94 174.30 2fml s THR 159 N -0.67 2.15 -0.24 8.37 2.01 0.44 -0.83 115.64 126.87 2fml s THR 159 Ca 0.05 -1.00 -0.07 0.00 0.31 0.00 0.00 61.69 60.97 2fml s THR 159 Cb -0.07 -1.81 -0.03 0.00 0.01 0.00 0.00 72.50 70.59 2fml s THR 159 CO 0.01 0.56 0.07 -0.76 -0.69 0.00 0.00 174.62 173.81 2fml s LEU 160 N 0.18 3.51 0.01 4.42 1.43 0.64 -1.04 118.68 127.83 2fml s LEU 160 Ca -0.14 -0.16 0.03 0.00 -1.03 0.00 0.00 54.13 52.83 2fml s LEU 160 Cb -0.17 -1.93 -0.01 0.00 0.03 0.00 0.00 46.19 44.11 2fml s LEU 160 CO 0.07 -0.00 -0.09 -0.94 0.23 0.00 0.00 176.35 175.62 2fml s SER 161 N 1.43 1.07 -0.15 2.29 1.04 0.46 -1.77 113.70 118.07 2fml s SER 161 Ca 0.05 -0.28 -0.08 0.00 0.48 0.00 0.00 55.95 56.13 2fml s SER 161 Cb -0.15 -0.08 0.05 0.00 0.10 0.00 0.00 66.02 65.95 2fml s SER 161 CO 0.04 0.03 0.36 -2.28 0.98 0.00 0.00 173.24 172.37 2fml s HIS 162 N -0.53 -0.51 0.00 5.02 5.04 -1.04 -0.29 115.29 122.98 2fml s HIS 162 Ca 0.01 1.12 0.00 0.00 -1.54 0.00 0.00 55.06 54.64 2fml s HIS 162 Cb -0.05 0.19 0.00 0.00 0.04 0.00 0.00 32.58 32.76 2fml s HIS 162 CO 0.00 -0.30 0.00 0.39 -2.34 0.00 0.00 174.74 172.49 2fml n GLU 163 N 4.23 0.00 -0.16 2.88 1.02 -1.26 -0.18 120.64 127.17 2fml n GLU 163 Ca -0.24 0.00 0.10 0.00 -0.02 0.00 0.00 57.16 57.00 2fml n GLU 163 Cb 0.54 0.00 0.28 0.00 -0.02 0.00 0.00 31.44 32.25 2fml n GLU 163 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2fml n ASP 164 N 3.31 2.39 -4.75 1.62 8.00 -1.26 -4.89 116.55 120.97 2fml n ASP 164 Ca 0.00 -1.87 -0.39 0.00 0.71 0.00 0.00 54.79 53.23 2fml n ASP 164 Cb 0.00 -0.20 -0.05 0.00 -0.02 0.00 0.00 41.12 40.84 2fml n ASP 164 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2fml s VAL 165 N -1.59 4.83 -0.17 2.53 1.01 0.74 -5.00 120.40 122.75 2fml s VAL 165 Ca 0.34 1.47 -0.04 0.00 0.00 0.00 0.00 61.98 63.75 2fml s VAL 165 Cb 0.18 -4.04 0.08 0.00 0.00 0.00 0.00 36.38 32.60 2fml s VAL 165 CO 0.26 0.37 0.23 -0.70 0.00 0.00 0.00 175.10 175.26 2fml s GLU 166 N 0.01 0.16 -0.13 2.72 2.12 -1.26 -2.51 118.70 119.82 2fml s GLU 166 Ca 0.36 0.41 0.01 0.00 0.36 0.00 0.00 54.97 56.10 2fml s GLU 166 Cb -0.19 -0.75 0.02 0.00 0.26 0.00 0.00 34.13 33.47 2fml s GLU 166 CO 0.20 -0.51 -0.13 0.42 -0.54 0.00 0.00 175.26 174.70 2fml s ILE 167 N 2.35 1.45 -0.11 -3.70 1.01 -0.73 -0.43 121.20 121.05 2fml s ILE 167 Ca 0.05 -0.58 0.01 0.00 0.00 0.00 0.00 60.65 60.14 2fml s ILE 167 Cb -0.14 -1.36 0.02 0.00 0.01 0.00 0.00 42.46 40.98 2fml s ILE 167 CO -0.10 0.44 -0.13 -0.89 0.00 0.00 0.00 174.94 174.26 2fml s THR 168 N 1.34 1.32 -0.02 2.92 2.01 -1.26 -0.26 115.64 121.69 2fml s THR 168 Ca 0.01 -0.52 0.07 0.00 0.31 0.00 0.00 61.69 61.55 2fml s THR 168 Cb -0.13 -1.24 -0.02 0.00 0.01 0.00 0.00 72.50 71.12 2fml s THR 168 CO -0.07 0.41 -0.22 -0.76 -0.69 0.00 0.00 174.62 173.29 2fml s LEU 169 N 1.15 2.04 -0.29 4.42 1.43 -0.01 0.13 118.68 127.54 2fml s LEU 169 Ca -0.04 -0.41 -0.28 0.00 -1.03 0.00 0.00 54.13 52.37 2fml s LEU 169 Cb -0.14 -1.15 0.01 0.00 0.03 0.00 0.00 46.19 44.93 2fml s LEU 169 CO -0.03 0.27 1.01 -0.62 0.23 0.00 0.00 176.35 177.20 2fml s ASP 170 N -0.47 6.91 0.66 2.29 -1.08 0.46 -1.36 116.67 124.09 2fml s ASP 170 Ca 0.07 1.05 0.43 0.00 -0.52 0.00 0.00 52.55 53.58 2fml s ASP 170 Cb -0.09 -2.51 2.33 0.00 -1.46 0.00 0.00 42.92 41.18 2fml s ASP 170 CO -0.00 -0.77 2.34 -0.07 0.52 0.00 0.00 175.17 177.19 2fml h LEU 171 N 9.80 0.00 0.00 -1.34 3.38 -0.71 0.13 115.31 126.56 2fml h LEU 171 Ca -0.21 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.44 2fml h LEU 171 Cb 1.07 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.76 2fml h LEU 171 CO 0.99 0.00 -2.28 0.29 0.09 0.00 0.00 178.44 177.52 2fml n LYS 172 N -3.14 0.68 0.00 1.13 4.76 -1.26 -4.67 118.16 115.67 2fml n LYS 172 Ca -0.03 -0.01 0.00 0.00 -2.87 0.00 0.00 58.31 55.40 2fml n LYS 172 Cb 0.09 -1.54 0.00 0.00 -1.84 0.00 0.00 35.03 31.74 2fml n LYS 172 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 2fml n THR 173 N -2.71 0.00 -0.88 -0.18 -2.24 -1.18 -4.99 114.28 102.10 2fml n THR 173 Ca -0.28 -0.48 0.00 0.00 -2.27 0.00 0.00 64.05 61.01 2fml n THR 173 Cb 1.08 1.02 0.00 0.00 -2.10 0.00 0.00 70.33 70.33 2fml n THR 173 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2fml n ALA 174 N -0.46 0.00 -1.52 6.98 0.00 0.43 -4.97 120.51 120.98 2fml n ALA 174 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 2fml n ALA 174 Cb 0.00 -1.28 0.01 0.00 0.00 0.00 0.00 19.45 18.18 2fml n ALA 174 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2fml n ALA 175 N 1.00 -0.86 -3.62 0.00 0.00 -1.26 -4.61 120.51 111.16 2fml n ALA 175 Ca 0.00 0.21 -0.35 0.00 0.00 0.00 0.00 53.44 53.30 2fml n ALA 175 Cb 0.35 -1.90 -0.14 0.00 0.00 0.00 0.00 19.45 17.76 2fml n ALA 175 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2fml s SER 176 N -0.87 4.41 0.00 0.00 0.15 -1.26 -0.40 113.70 115.73 2fml s SER 176 Ca 0.63 -0.79 0.10 0.00 0.70 0.00 0.00 55.95 56.59 2fml s SER 176 Cb -0.60 -1.70 -0.02 0.00 -1.71 0.00 0.00 66.02 61.99 2fml s SER 176 CO 0.57 -0.12 0.58 0.18 1.20 0.00 0.00 173.24 175.65 2fml n LEU 177 N 4.71 1.05 -4.98 3.45 4.77 0.12 -5.00 117.00 121.12 2fml n LEU 177 Ca -0.16 -0.72 -0.22 0.00 -0.03 0.00 0.00 56.01 54.88 2fml n LEU 177 Cb 0.48 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.63 2fml n LEU 177 CO 0.28 0.22 0.42 -0.83 -1.33 0.00 0.00 177.39 176.15 2fml s GLY 178 N -1.43 1.80 0.17 -0.72 0.00 -1.22 -4.88 107.32 101.05 2fml s GLY 178 Ca 0.07 -1.52 -0.25 0.00 0.00 0.00 0.00 44.72 43.02 2fml s GLY 178 CO 0.27 -1.13 1.57 0.50 0.00 0.00 0.00 173.10 174.31 2fml h LYS 179 N -0.12 -0.21 -5.90 2.90 1.57 -1.90 -3.43 116.57 109.48 2fml h LYS 179 Ca -0.39 0.01 -0.62 0.00 -1.87 0.00 0.00 60.65 57.78 2fml h LYS 179 Cb 1.29 0.05 -0.04 0.00 0.08 0.00 0.00 32.23 33.60 2fml h LYS 179 CO 0.47 -0.14 -0.46 -0.51 -0.57 0.00 0.00 179.45 178.24 2fml s ASP 180 N -5.16 6.39 -0.11 0.86 1.01 0.43 -5.02 116.67 115.08 2fml s ASP 180 Ca -0.14 0.36 0.03 0.00 0.71 0.00 0.00 52.55 53.51 2fml s ASP 180 Cb 0.14 -2.00 0.00 0.00 1.01 0.00 0.00 42.92 42.06 2fml s ASP 180 CO 0.67 0.20 -0.23 -0.89 0.21 0.00 0.00 175.17 175.13 2fml s THR 181 N -1.44 2.14 0.38 -1.27 2.01 -1.26 -4.39 115.64 111.81 2fml s THR 181 Ca 0.32 -0.98 -0.27 0.00 0.31 0.00 0.00 61.69 61.07 2fml s THR 181 Cb -0.13 -1.83 -0.09 0.00 0.01 0.00 0.00 72.50 70.46 2fml s THR 181 CO 0.23 0.55 1.31 -0.76 -0.69 0.00 0.00 174.62 175.27 2fml s LEU 182 N 0.46 4.29 0.67 4.42 1.43 -1.26 -4.48 118.68 124.20 2fml s LEU 182 Ca -0.16 2.68 -0.17 0.00 -1.03 0.00 0.00 54.13 55.46 2fml s LEU 182 Cb -0.17 -3.81 -0.05 0.00 0.03 0.00 0.00 46.19 42.19 2fml s LEU 182 CO 0.06 -0.75 0.60 0.00 0.23 0.00 0.00 176.35 176.49 2fml n ALA 183 N 0.36 -1.17 -0.81 4.21 0.00 -0.24 -4.73 120.51 118.13 2fml n ALA 183 Ca 0.02 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.31 2fml n ALA 183 Cb 0.43 -1.89 0.00 0.00 0.00 0.00 0.00 19.45 17.99 2fml n ALA 183 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2fml n PHE 184 N -2.15 0.00 -1.30 0.00 3.72 -1.26 -1.73 117.46 114.74 2fml n PHE 184 Ca 0.11 0.00 -0.05 0.00 -0.05 0.00 0.00 57.45 57.46 2fml n PHE 184 Cb 0.49 0.03 0.22 0.00 -0.94 0.00 0.00 39.48 39.27 2fml n PHE 184 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 2fml n ASP 185 N 1.83 3.11 0.28 4.37 5.75 -1.26 -4.76 116.55 125.88 2fml n ASP 185 Ca 0.00 -3.56 0.15 0.00 -0.01 0.00 0.00 54.79 51.37 2fml n ASP 185 Cb 0.00 -0.66 0.84 0.00 -1.03 0.00 0.00 41.12 40.28 2fml n ASP 185 CO 0.00 0.00 0.00 0.45 -0.11 0.00 0.00 177.20 177.54 2fml h HIS 186 N 1.28 0.00 -0.80 2.11 3.86 -1.62 -1.21 115.15 118.76 2fml h HIS 186 Ca 0.24 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.41 2fml h HIS 186 Cb 1.85 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 30.28 2fml h HIS 186 CO 1.03 0.07 0.33 0.66 0.86 0.00 0.00 177.93 180.88 2fml h SER 187 N 0.00 1.10 -0.47 2.45 4.64 -1.86 -0.48 113.55 118.92 2fml h SER 187 Ca -0.00 -0.16 -0.06 0.00 -0.47 0.00 0.00 61.79 61.09 2fml h SER 187 Cb 0.23 -0.28 -0.02 0.00 -0.31 0.00 0.00 62.40 62.01 2fml h SER 187 CO 0.01 0.96 0.08 -0.33 -0.87 0.00 0.00 176.83 176.68 2fml h GLU 188 N 1.16 0.84 -0.34 4.77 5.08 -1.50 -1.94 114.58 122.66 2fml h GLU 188 Ca 0.27 -0.20 -0.11 0.00 -1.00 0.00 0.00 59.36 58.32 2fml h GLU 188 Cb 0.20 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 2fml h GLU 188 CO -0.02 0.80 -0.20 0.82 -1.00 0.00 0.00 179.01 179.40 2fml h ILE 189 N 0.80 1.29 -0.40 3.13 2.04 -1.22 -1.87 117.51 121.27 2fml h ILE 189 Ca 0.17 -1.34 -0.05 0.00 1.00 0.00 0.00 64.86 64.64 2fml h ILE 189 Cb 0.37 1.41 -0.02 0.00 -0.74 0.00 0.00 36.82 37.84 2fml h ILE 189 CO 0.01 0.44 0.07 0.40 0.00 0.00 0.00 178.15 179.06 2fml h ILE 190 N 0.53 1.24 -0.45 -0.67 2.04 -0.98 -1.47 117.51 117.75 2fml h ILE 190 Ca 0.07 -0.86 0.03 0.00 1.00 0.00 0.00 64.86 65.10 2fml h ILE 190 Cb 0.75 1.02 -0.03 0.00 -0.74 0.00 0.00 36.82 37.82 2fml h ILE 190 CO 0.06 0.30 0.25 0.40 0.00 0.00 0.00 178.15 179.16 2fml h ILE 191 N 0.52 1.01 -0.58 -0.67 1.08 -1.45 0.19 117.51 117.61 2fml h ILE 191 Ca 0.12 -0.17 0.07 0.00 -0.39 0.00 0.00 64.86 64.49 2fml h ILE 191 Cb 0.37 0.47 -0.06 0.00 -3.07 0.00 0.00 36.82 34.52 2fml h ILE 191 CO 0.01 0.09 0.26 0.50 -0.69 0.00 0.00 178.15 178.32 2fml h LYS 192 N 0.50 0.47 -0.57 2.37 1.63 -1.13 -0.60 116.57 119.24 2fml h LYS 192 Ca 0.19 -0.03 -0.04 0.00 -0.85 0.00 0.00 60.65 59.92 2fml h LYS 192 Cb 0.05 -0.11 -0.03 0.00 -0.60 0.00 0.00 32.23 31.55 2fml h LYS 192 CO -0.10 0.31 0.22 0.00 -3.45 0.00 0.00 179.45 176.43 2fml h ALA 193 N 1.36 0.75 -0.15 5.00 0.00 -0.83 -0.85 119.26 124.54 2fml h ALA 193 Ca 0.28 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 2fml h ALA 193 Cb 0.26 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 2fml h ALA 193 CO -0.23 0.37 -0.04 0.35 0.00 0.00 0.00 179.25 179.70 2fml h PHE 194 N 0.79 0.32 -0.10 0.00 3.57 -0.23 -2.62 116.94 118.68 2fml h PHE 194 Ca 0.19 -0.07 -0.07 0.00 3.53 0.00 0.00 57.97 61.55 2fml h PHE 194 Cb 0.22 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 38.87 2fml h PHE 194 CO 0.01 0.57 -0.27 -0.91 -2.23 0.00 0.00 178.31 175.48 2fml h ASN 195 N -0.01 0.18 -0.58 0.41 2.35 -1.11 -2.68 115.58 114.14 2fml h ASN 195 Ca 0.04 -0.05 -0.06 0.00 -0.55 0.00 0.00 56.30 55.68 2fml h ASN 195 Cb 0.46 -0.05 -0.02 0.00 0.05 0.00 0.00 38.32 38.76 2fml h ASN 195 CO 0.01 0.45 0.12 -0.09 -1.65 0.00 0.00 177.43 176.28 2fml h ARG 196 N 0.16 0.93 0.40 0.81 9.65 -1.00 0.31 114.38 125.64 2fml h ARG 196 Ca 0.03 -0.23 -0.02 0.00 -1.10 0.00 0.00 59.98 58.65 2fml h ARG 196 Cb 0.57 -0.12 0.00 0.00 -1.39 0.00 0.00 29.97 29.04 2fml h ARG 196 CO 0.04 0.87 -0.19 0.28 2.80 0.00 0.00 179.97 183.77 2fml h VAL 197 N 0.83 0.61 -0.83 0.20 2.07 -1.32 -2.03 116.25 115.78 2fml h VAL 197 Ca 0.18 -0.23 0.21 0.00 0.82 0.00 0.00 66.70 67.67 2fml h VAL 197 Cb 0.37 0.73 -0.14 0.00 -1.52 0.00 0.00 31.29 30.73 2fml h VAL 197 CO 0.01 0.04 0.08 0.58 0.02 0.00 0.00 177.57 178.30 2fml h VAL 198 N -0.67 0.28 0.00 2.57 2.07 -1.44 -2.03 116.25 117.04 2fml h VAL 198 Ca -0.05 -0.04 -0.03 0.00 0.82 0.00 0.00 66.70 67.40 2fml h VAL 198 Cb 0.48 0.15 -0.00 0.00 -1.52 0.00 0.00 31.29 30.39 2fml h VAL 198 CO 0.09 0.02 -0.12 0.44 0.02 0.00 0.00 177.57 178.02 2fml h ASP 199 N 0.13 0.00 -1.35 0.57 3.32 -0.81 -3.41 116.42 114.86 2fml h ASP 199 Ca 0.49 0.00 -0.65 0.00 0.02 0.00 0.00 57.03 56.89 2fml h ASP 199 Cb 0.93 0.00 -0.35 0.00 0.22 0.00 0.00 39.33 40.12 2fml h ASP 199 CO -0.70 0.12 0.07 1.17 -1.72 0.00 0.00 179.24 178.18 2fml n LYS 200 N -3.41 3.13 0.00 3.56 4.81 -0.77 -4.87 118.16 120.62 2fml n LYS 200 Ca -0.01 -3.91 0.00 0.00 -0.87 0.00 0.00 58.31 53.53 2fml n LYS 200 Cb 0.30 -2.27 0.00 0.00 0.02 0.00 0.00 35.03 33.08 2fml n LYS 200 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 2fml n GLU 202 N -0.64 0.00 0.00 1.64 2.13 -1.26 0.30 120.64 122.81 2fml n GLU 202 Ca 0.49 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.31 2fml n GLU 202 Cb 0.62 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.33 2fml n GLU 202 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 2fml n HIS 203 N 0.00 0.00 -3.27 4.31 8.25 -1.26 -4.86 115.22 118.39 2fml n HIS 203 Ca 0.00 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.31 2fml n HIS 203 Cb 0.00 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.05 2fml n HIS 203 CO 0.00 0.00 0.00 -2.00 0.64 0.00 0.00 176.34 174.98 2fml s GLU 204 N -0.47 0.76 -0.13 -0.41 2.12 0.15 -5.06 118.70 115.66 2fml s GLU 204 Ca 0.00 -1.07 -0.03 0.00 0.36 0.00 0.00 54.97 54.24 2fml s GLU 204 Cb 0.00 -0.68 -0.05 0.00 0.26 0.00 0.00 34.13 33.66 2fml s GLU 204 CO 0.00 -1.25 2.70 -0.35 -0.54 0.00 0.00 175.26 175.82 2fml n PRO 205 N 3.82 1.71 -0.31 4.30 -0.05 -1.26 -4.56 135.00 138.65 2fml n PRO 205 Ca 0.15 -1.00 0.14 0.00 -0.05 0.00 0.00 63.50 62.74 2fml n PRO 205 Cb 0.48 -1.64 0.37 0.00 -0.05 0.00 0.00 33.50 32.67 2fml n PRO 205 CO 0.00 0.00 0.00 1.96 -0.05 0.00 0.00 175.50 177.41 2fml h GLN 206 N 2.10 0.66 -1.11 0.54 4.20 -1.97 -2.06 115.11 117.47 2fml h GLN 206 Ca 0.18 -0.04 0.32 0.00 0.06 0.00 0.00 58.65 59.17 2fml h GLN 206 Cb 1.12 -0.15 -0.04 0.00 0.30 0.00 0.00 27.48 28.71 2fml h GLN 206 CO 0.35 0.44 0.81 -0.24 -0.67 0.00 0.00 178.83 179.52 2fml h VAL 207 N 0.68 0.43 0.00 -0.54 3.04 -1.96 0.13 116.25 118.03 2fml h VAL 207 Ca 0.51 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 66.20 2fml h VAL 207 Cb 0.88 0.44 0.00 0.00 -2.01 0.00 0.00 31.29 30.59 2fml h VAL 207 CO -0.27 0.00 0.00 0.18 -1.01 0.00 0.00 177.57 176.47 2fml n LEU 208 N -4.18 0.00 -0.23 3.16 4.77 -0.78 -1.65 117.00 118.10 2fml n LEU 208 Ca 0.24 0.28 0.07 0.00 -0.03 0.00 0.00 56.01 56.57 2fml n LEU 208 Cb 1.18 -0.28 0.33 0.00 -2.33 0.00 0.00 43.42 42.32 2fml n LEU 208 CO 0.40 -0.26 1.23 1.56 -1.33 0.00 0.00 177.39 178.98 2fml h GLN 209 N 0.00 0.78 0.00 3.23 4.20 -0.95 -2.48 115.11 119.90 2fml h GLN 209 Ca 0.00 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.66 2fml h GLN 209 Cb 0.02 -0.18 0.00 0.00 0.30 0.00 0.00 27.48 27.62 2fml h GLN 209 CO 0.00 0.52 0.14 1.33 -0.67 0.00 0.00 178.83 180.15 2fml n VAL 210 N -4.50 0.89 0.88 -0.54 0.24 -0.66 -1.15 118.33 113.50 2fml n VAL 210 Ca 0.13 0.72 0.12 0.00 -2.04 0.00 0.00 64.34 63.27 2fml n VAL 210 Cb 0.28 -1.72 0.25 0.00 -1.47 0.00 0.00 33.84 31.17 2fml n VAL 210 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 2fml n LEU 211 N -2.09 0.52 -0.73 1.34 4.77 -0.93 -4.21 117.00 115.66 2fml n LEU 211 Ca -0.01 0.09 0.00 0.00 -0.03 0.00 0.00 56.01 56.06 2fml n LEU 211 Cb 0.17 -0.24 0.00 0.00 -2.33 0.00 0.00 43.42 41.01 2fml n LEU 211 CO 0.07 0.07 0.00 0.61 -1.33 0.00 0.00 177.39 176.81 2fml n GLY 212 N 1.45 0.54 3.19 -0.72 0.00 -0.30 -4.44 105.19 104.92 2fml n GLY 212 Ca 0.05 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.65 2fml n GLY 212 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2fml n LYS 213 N -0.73 0.00 -4.00 1.61 4.01 -1.26 -4.95 118.16 112.84 2fml n LYS 213 Ca 0.00 0.00 -0.08 0.00 -0.51 0.00 0.00 58.31 57.72 2fml n LYS 213 Cb 0.40 -0.53 -0.10 0.00 -0.51 0.00 0.00 35.03 34.30 2fml n LYS 213 CO 0.00 0.00 0.00 0.16 -1.11 0.00 0.00 177.40 176.45 2fml s ASP 214 N -0.59 0.31 -0.23 4.39 3.84 -1.26 -4.30 116.67 118.83 2fml s ASP 214 Ca 0.00 -0.75 -0.27 0.00 -0.00 0.00 0.00 52.55 51.54 2fml s ASP 214 Cb 0.00 0.21 0.10 0.00 -1.38 0.00 0.00 42.92 41.86 2fml s ASP 214 CO 0.00 -0.55 0.91 0.72 -0.00 0.00 0.00 175.17 176.25 2fml s PHE 215 N -3.21 -0.55 0.74 2.11 -0.12 0.24 -4.92 117.98 112.27 2fml s PHE 215 Ca 0.00 1.24 -0.11 0.00 -0.05 0.00 0.00 56.93 58.02 2fml s PHE 215 Cb 0.03 0.36 0.03 0.00 -0.63 0.00 0.00 43.02 42.81 2fml s PHE 215 CO -0.07 -0.33 1.08 0.95 -0.05 0.00 0.00 175.22 176.79 2fml s THR 216 N -0.14 3.60 0.30 -4.49 -4.23 -1.25 -0.52 115.64 108.90 2fml s THR 216 Ca -0.00 0.52 0.00 0.00 -1.18 0.00 0.00 61.69 61.03 2fml s THR 216 Cb -0.04 -3.29 0.28 0.00 1.34 0.00 0.00 72.50 70.79 2fml s THR 216 CO -0.01 -0.68 1.92 0.40 -0.54 0.00 0.00 174.62 175.71 2fml h ILE 217 N -0.86 1.10 -0.46 2.99 1.08 -1.99 -1.73 117.51 117.64 2fml h ILE 217 Ca -0.45 -0.36 0.01 0.00 -0.39 0.00 0.00 64.86 63.66 2fml h ILE 217 Cb 1.24 -0.05 -0.02 0.00 -3.07 0.00 0.00 36.82 34.91 2fml h ILE 217 CO 0.58 0.19 0.30 0.74 -0.69 0.00 0.00 178.15 179.27 2fml h THR 218 N 1.05 1.10 -0.40 -0.27 2.02 -1.94 0.13 112.91 114.60 2fml h THR 218 Ca 0.38 -0.21 -0.00 0.00 0.77 0.00 0.00 66.41 67.35 2fml h THR 218 Cb 0.14 0.45 -0.02 0.00 -1.74 0.00 0.00 68.15 66.97 2fml h THR 218 CO -0.13 0.11 0.25 -0.33 0.37 0.00 0.00 175.52 175.78 2fml h GLU 219 N 0.60 0.55 -0.37 6.66 5.08 -1.89 -0.94 114.58 124.26 2fml h GLU 219 Ca 0.17 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.47 2fml h GLU 219 Cb -0.05 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.07 2fml h GLU 219 CO -0.05 0.40 0.18 0.00 -1.00 0.00 0.00 179.01 178.55 2fml h ALA 220 N 1.11 0.48 -0.84 3.43 0.00 -1.13 -1.34 119.26 120.98 2fml h ALA 220 Ca 0.15 -0.10 0.12 0.00 0.00 0.00 0.00 54.91 55.07 2fml h ALA 220 Cb -0.00 -0.15 -0.08 0.00 0.00 0.00 0.00 17.79 17.55 2fml h ALA 220 CO -0.03 0.04 0.45 0.00 0.00 0.00 0.00 179.25 179.72 2fml h ARG 221 N 0.47 0.68 -0.32 0.00 3.08 -0.61 -1.53 114.38 116.16 2fml h ARG 221 Ca 0.13 -0.04 -0.08 0.00 0.07 0.00 0.00 59.98 60.05 2fml h ARG 221 Cb 0.11 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 29.99 2fml h ARG 221 CO -0.02 0.45 -0.16 0.87 -1.07 0.00 0.00 179.97 180.05 2fml h LYS 222 N 0.70 0.57 0.26 0.04 1.57 -0.36 0.12 116.57 119.47 2fml h LYS 222 Ca 0.43 -0.18 -0.01 0.00 -1.87 0.00 0.00 60.65 59.02 2fml h LYS 222 Cb 0.51 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.78 2fml h LYS 222 CO -0.31 0.70 -0.12 0.28 -0.57 0.00 0.00 179.45 179.44 2fml h VAL 223 N 0.51 0.74 -0.96 0.50 2.07 -1.13 -2.52 116.25 115.47 2fml h VAL 223 Ca 0.09 -0.78 0.20 0.00 0.82 0.00 0.00 66.70 67.03 2fml h VAL 223 Cb 0.57 1.13 -0.11 0.00 -1.52 0.00 0.00 31.29 31.36 2fml h VAL 223 CO 0.04 0.15 0.54 -0.26 0.02 0.00 0.00 177.57 178.05 2fml h PHE 224 N -0.79 0.93 -0.18 1.57 -1.00 -1.11 -1.97 116.94 114.38 2fml h PHE 224 Ca -0.04 0.04 -0.14 0.00 2.81 0.00 0.00 57.97 60.64 2fml h PHE 224 Cb 0.51 -0.26 -0.01 0.00 3.61 0.00 0.00 35.95 39.80 2fml h PHE 224 CO 0.04 0.13 -0.49 0.00 -1.61 0.00 0.00 178.31 176.39 2fml h ALA 225 N 1.66 0.83 -0.87 2.45 0.00 -0.76 -0.62 119.26 121.94 2fml h ALA 225 Ca 0.57 -0.48 0.01 0.00 0.00 0.00 0.00 54.91 55.02 2fml h ALA 225 Cb 0.97 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.62 2fml h ALA 225 CO -0.43 0.67 0.58 0.87 0.00 0.00 0.00 179.25 180.94 2fml h LYS 226 N 0.37 1.14 -0.03 0.00 1.79 -0.91 0.96 116.57 119.90 2fml h LYS 226 Ca 0.02 -0.07 -0.18 0.00 -2.18 0.00 0.00 60.65 58.24 2fml h LYS 226 Cb 0.99 -0.26 -0.01 0.00 -1.58 0.00 0.00 32.23 31.37 2fml h LYS 226 CO 0.09 0.75 -0.77 0.74 -1.08 0.00 0.00 179.45 179.18 2fml h PHE 227 N 1.17 0.32 0.00 -1.35 0.04 -1.29 -3.30 116.94 112.52 2fml h PHE 227 Ca 0.32 -0.15 -0.20 0.00 2.80 0.00 0.00 57.97 60.74 2fml h PHE 227 Cb -0.12 -0.04 -0.03 0.00 2.20 0.00 0.00 35.95 37.96 2fml h PHE 227 CO -0.00 0.91 -0.94 -0.07 -0.60 0.00 0.00 178.31 177.60 2fml h LEU 228 N 0.14 0.00 0.00 1.54 3.38 -0.64 -3.48 115.31 116.26 2fml h LEU 228 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 2fml h LEU 228 Cb 1.35 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.10 2fml h LEU 228 CO 0.12 0.94 0.00 0.61 0.09 0.00 0.00 178.44 180.20 2fml n GLY 229 N 1.20 0.53 3.62 0.83 0.00 0.33 -4.92 105.19 106.77 2fml n GLY 229 Ca -0.00 -0.83 -0.26 0.00 0.00 0.00 0.00 46.02 44.92 2fml n GLY 229 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2fml s VAL 230 N -2.00 2.25 -0.04 1.61 -7.23 -0.83 -4.71 120.40 109.45 2fml s VAL 230 Ca 0.00 -2.00 -0.30 0.00 -1.81 0.00 0.00 61.98 57.87 2fml s VAL 230 Cb 0.00 -2.86 -0.05 0.00 0.56 0.00 0.00 36.38 34.03 2fml s VAL 230 CO 0.00 -0.10 1.46 -0.62 -0.31 0.00 0.00 175.10 175.53 2fml s ASP 231 N -3.71 6.80 0.56 4.85 3.68 -1.26 -4.47 116.67 123.13 2fml s ASP 231 Ca 0.35 2.10 0.39 0.00 2.13 0.00 0.00 52.55 57.51 2fml s ASP 231 Cb 0.05 -2.55 1.51 0.00 -1.45 0.00 0.00 42.92 40.48 2fml s ASP 231 CO 0.19 -0.79 1.67 0.10 0.13 0.00 0.00 175.17 176.47 2fml h TYR 232 N 8.37 0.00 0.00 -5.34 -0.00 -1.91 0.89 116.97 118.98 2fml h TYR 232 Ca -0.37 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.36 2fml h TYR 232 Cb 1.17 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.90 2fml h TYR 232 CO 0.80 0.00 0.00 0.00 -0.00 0.00 0.00 178.16 178.96 2fml h ARG 233 N 0.00 0.00 -0.00 0.10 3.08 -1.95 -2.27 114.38 113.35 2fml h ARG 233 Ca 0.63 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.68 2fml h ARG 233 Cb 2.70 0.00 0.00 0.00 0.08 0.00 0.00 29.97 32.75 2fml h ARG 233 CO -0.01 0.00 -0.16 -1.13 -1.07 0.00 0.00 179.97 177.60 2fml n SER 234 N -2.56 0.20 -4.40 7.04 3.41 0.31 -4.53 113.62 113.09 2fml n SER 234 Ca 0.03 0.13 -0.44 0.00 -0.26 0.00 0.00 58.87 58.32 2fml n SER 234 Cb 0.32 -0.22 -0.06 0.00 -0.26 0.00 0.00 64.21 64.00 2fml n SER 234 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2fml s ILE 235 N -2.92 4.93 0.16 -1.33 1.01 -0.85 -5.04 121.20 117.15 2fml s ILE 235 Ca 0.15 -0.86 -0.34 0.00 0.00 0.00 0.00 60.65 59.61 2fml s ILE 235 Cb 0.19 -4.36 -0.13 0.00 0.01 0.00 0.00 42.46 38.16 2fml s ILE 235 CO 0.57 -0.91 1.61 -0.67 0.00 0.00 0.00 174.94 175.54 2fml n ASP 236 N 6.03 3.25 -0.03 3.58 2.03 -1.26 -4.88 116.55 125.27 2fml n ASP 236 Ca -0.09 1.07 -0.10 0.00 0.52 0.00 0.00 54.79 56.20 2fml n ASP 236 Cb 0.43 -1.45 -0.04 0.00 -0.72 0.00 0.00 41.12 39.35 2fml n ASP 236 CO 0.00 0.00 0.00 -0.74 -1.92 0.00 0.00 177.20 174.54 2fml h HIS 237 N 6.22 0.10 -0.38 -0.67 -0.00 -1.92 -1.53 115.15 116.96 2fml h HIS 237 Ca -0.45 0.01 -0.09 0.00 -0.00 0.00 0.00 60.37 59.84 2fml h HIS 237 Cb 1.25 -0.02 -0.02 0.00 -0.00 0.00 0.00 27.41 28.62 2fml h HIS 237 CO 0.64 0.05 -0.13 1.03 -0.00 0.00 0.00 177.93 179.52 2fml h SER 238 N 0.13 0.67 0.37 3.26 0.87 -2.00 0.18 113.55 117.03 2fml h SER 238 Ca 0.07 -0.20 -0.23 0.00 -1.23 0.00 0.00 61.79 60.21 2fml h SER 238 Cb 0.04 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 61.82 2fml h SER 238 CO -0.07 0.82 -0.96 0.78 -0.53 0.00 0.00 176.83 176.87 2fml h ASN 239 N 0.62 0.51 -0.10 6.23 2.35 -1.93 -2.93 115.58 120.33 2fml h ASN 239 Ca 0.11 -0.42 -0.07 0.00 -0.55 0.00 0.00 56.30 55.37 2fml h ASN 239 Cb 0.57 -0.16 0.00 0.00 0.05 0.00 0.00 38.32 38.79 2fml h ASN 239 CO 0.04 1.22 -0.22 0.15 -1.65 0.00 0.00 177.43 176.97 2fml h PHE 240 N 0.21 0.41 -0.88 1.19 3.57 -1.14 -2.25 116.94 118.06 2fml h PHE 240 Ca -0.08 -0.15 0.17 0.00 3.53 0.00 0.00 57.97 61.44 2fml h PHE 240 Cb 1.60 -0.07 -0.10 0.00 2.79 0.00 0.00 35.95 40.16 2fml h PHE 240 CO 0.06 0.83 0.45 -0.22 -2.23 0.00 0.00 178.31 177.20 2fml h LYS 241 N -0.13 0.56 0.01 1.11 3.64 -0.74 -2.97 116.57 118.05 2fml h LYS 241 Ca 0.00 -0.03 -0.16 0.00 -1.27 0.00 0.00 60.65 59.18 2fml h LYS 241 Cb 0.82 -0.13 0.01 0.00 -0.41 0.00 0.00 32.23 32.52 2fml h LYS 241 CO 0.05 0.37 -0.65 0.87 -2.27 0.00 0.00 179.45 177.82 2fml h LYS 242 N 0.58 0.42 -0.18 1.90 1.79 -1.49 -2.65 116.57 116.94 2fml h LYS 242 Ca 0.51 -0.46 0.00 0.00 -2.18 0.00 0.00 60.65 58.51 2fml h LYS 242 Cb 0.81 0.14 0.00 0.00 -1.58 0.00 0.00 32.23 31.59 2fml h LYS 242 CO -0.41 1.13 0.00 0.00 -1.08 0.00 0.00 179.45 179.09 2fml n ALA 243 N -2.60 1.56 0.00 3.86 0.00 -0.85 -4.66 120.51 117.82 2fml n ALA 243 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.33 2fml n ALA 243 Cb 0.70 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.15 2fml n ALA 243 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 2fml n THR 245 N 0.03 0.00 -0.32 0.00 5.66 -1.00 -4.92 114.28 113.74 2fml n THR 245 Ca 0.00 0.00 0.34 0.00 -3.05 0.00 0.00 64.05 61.34 2fml n THR 245 Cb 0.04 0.00 0.60 0.00 -1.55 0.00 0.00 70.33 69.42 2fml n THR 245 CO 0.00 0.00 0.00 0.06 -3.05 0.00 0.00 175.07 172.08 2fml h GLN 246 N 0.00 0.00 -0.10 1.09 3.07 -1.86 0.67 115.11 117.97 2fml h GLN 246 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 2fml h GLN 246 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.56 2fml h GLN 246 CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 178.83 179.58 2fml n TYR 247 N -3.55 0.11 -4.00 0.06 4.01 -1.26 -5.01 117.16 107.51 2fml n TYR 247 Ca 0.27 -0.05 -0.23 0.00 -0.16 0.00 0.00 57.90 57.73 2fml n TYR 247 Cb 1.54 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 40.51 2fml n TYR 247 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 2fml s PHE 248 N -1.89 2.73 0.00 -0.72 0.08 0.23 -2.28 117.98 116.13 2fml s PHE 248 Ca 0.34 -0.40 0.00 0.00 0.12 0.00 0.00 56.93 56.99 2fml s PHE 248 Cb 0.20 -1.75 0.00 0.00 -0.57 0.00 0.00 43.02 40.90 2fml s PHE 248 CO 0.31 0.25 0.00 -1.91 -0.10 0.00 0.00 175.22 173.77 2fml n GLU 249 N -1.23 0.00 0.00 0.44 4.07 0.25 -4.65 120.64 119.52 2fml n GLU 249 Ca -0.02 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.08 2fml n GLU 249 Cb 0.61 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.99 2fml n GLU 249 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 2fml n GLU 250 N 0.00 0.00 0.00 5.31 1.02 -1.22 -4.76 120.64 120.99 2fml n GLU 250 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 2fml n GLU 250 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 2fml n GLU 250 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2fml n LEU 251 N 0.00 0.00 0.00 -4.62 7.99 -1.06 -4.90 117.00 114.42 2fml n LEU 251 Ca 0.00 0.00 -0.14 0.00 -0.01 0.00 0.00 56.01 55.86 2fml n LEU 251 Cb 0.00 0.00 -0.05 0.00 -0.11 0.00 0.00 43.42 43.26 2fml n LEU 251 CO 0.00 0.00 -0.08 0.61 -1.51 0.00 0.00 177.39 176.41 2fml n GLY 252 N 2.58 3.39 0.00 -0.72 0.00 -1.26 -4.16 105.19 105.01 2fml n GLY 252 Ca 0.00 -1.90 0.00 0.00 0.00 0.00 0.00 46.02 44.12 2fml n GLY 252 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2fml n GLU 253 N -0.49 0.00 0.00 1.61 1.02 -1.26 -4.74 120.64 116.78 2fml n GLU 253 Ca 0.02 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.16 2fml n GLU 253 Cb 0.40 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.82 2fml n GLU 253 CO 0.00 0.00 0.00 -2.30 1.18 0.00 0.00 177.13 176.01 2fml n PRO 261 N 0.00 0.00 -2.36 3.49 -0.01 -1.26 -4.54 135.00 130.32 2fml n PRO 261 Ca 0.00 0.00 -0.28 0.00 -0.01 0.00 0.00 63.50 63.21 2fml n PRO 261 Cb 0.00 0.00 0.02 0.00 -0.01 0.00 0.00 33.50 33.51 2fml n PRO 261 CO 0.00 0.00 0.00 -1.54 -0.01 0.00 0.00 175.50 173.95 2fml s SER 262 N 0.00 5.96 0.32 2.55 1.04 -1.26 -5.03 113.70 117.29 2fml s SER 262 Ca 0.00 0.95 -0.26 0.00 0.48 0.00 0.00 55.95 57.12 2fml s SER 262 Cb 0.00 -2.07 -0.10 0.00 0.10 0.00 0.00 66.02 63.95 2fml s SER 262 CO 0.00 -0.85 0.98 -0.54 0.98 0.00 0.00 173.24 173.81 2fml s LYS 263 N -4.95 4.53 -0.15 4.02 3.01 -1.26 -5.01 119.74 119.93 2fml s LYS 263 Ca 0.52 1.44 -0.10 0.00 -1.01 0.00 0.00 55.97 56.82 2fml s LYS 263 Cb -0.11 -2.85 -0.05 0.00 -1.01 0.00 0.00 37.83 33.82 2fml s LYS 263 CO 0.47 0.21 0.19 0.42 0.51 0.00 0.00 175.35 177.15 2fml s ILE 264 N -1.52 5.38 0.09 2.17 1.01 -1.26 -3.90 121.20 123.18 2fml s ILE 264 Ca 0.50 0.33 0.06 0.00 0.00 0.00 0.00 60.65 61.54 2fml s ILE 264 Cb -0.22 -3.51 -0.03 0.00 0.01 0.00 0.00 42.46 38.71 2fml s ILE 264 CO 0.28 0.49 -0.15 -0.31 0.00 0.00 0.00 174.94 175.25 2fml s TYR 265 N -0.11 1.34 0.32 3.97 1.51 0.32 -2.55 117.35 122.15 2fml s TYR 265 Ca 0.13 -0.50 0.10 0.00 -1.01 0.00 0.00 57.07 55.79 2fml s TYR 265 Cb -0.12 -0.73 -0.06 0.00 -0.11 0.00 0.00 41.96 40.94 2fml s TYR 265 CO 0.02 0.10 -0.09 1.14 -1.11 0.00 0.00 175.55 175.62 2fml s GLN 266 N -2.16 1.87 0.46 -0.62 -2.07 -1.26 -0.59 119.66 115.29 2fml s GLN 266 Ca 0.03 -1.83 -0.23 0.00 -1.82 0.00 0.00 55.36 51.52 2fml s GLN 266 Cb -0.08 -1.80 -0.08 0.00 -1.09 0.00 0.00 33.01 29.97 2fml s GLN 266 CO 0.03 0.20 1.14 -0.51 -1.32 0.00 0.00 175.29 174.82 2fml s LEU 267 N -3.61 4.00 0.00 2.60 1.43 -1.26 0.88 118.68 122.71 2fml s LEU 267 Ca 0.32 2.23 0.09 0.00 -1.03 0.00 0.00 54.13 55.75 2fml s LEU 267 Cb -0.00 -4.28 0.07 0.00 0.03 0.00 0.00 46.19 42.00 2fml s LEU 267 CO 0.17 -0.88 0.78 0.29 0.23 0.00 0.00 176.35 176.94