#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fie n GLY 10 N 0.00 -1.17 0.27 -0.02 0.00 -1.26 -2.15 105.19 100.86 1fie n GLY 10 Ca 0.00 0.91 -0.01 0.00 0.00 0.00 0.00 46.02 46.93 1fie n GLY 10 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1fie h ARG 11 N 0.00 0.72 -1.71 1.61 9.65 -2.09 -3.45 114.38 119.11 1fie h ARG 11 Ca 0.65 -0.04 0.03 0.00 -1.10 0.00 0.00 59.98 59.52 1fie h ARG 11 Cb 1.46 -0.16 -0.24 0.00 -1.39 0.00 0.00 29.97 29.65 1fie h ARG 11 CO -0.87 0.47 0.38 -0.98 2.80 0.00 0.00 179.97 181.77 1fie s ARG 12 N -6.08 0.66 0.35 0.20 1.70 -0.91 -5.05 118.95 109.81 1fie s ARG 12 Ca -0.13 0.51 0.10 0.00 -0.47 0.00 0.00 55.73 55.75 1fie s ARG 12 Cb 0.17 0.32 0.64 0.00 -0.57 0.00 0.00 34.95 35.51 1fie s ARG 12 CO 0.77 -0.13 1.80 0.00 -1.08 0.00 0.00 175.30 176.65 1fie h ALA 13 N 3.77 1.31 -3.26 7.88 0.00 -1.88 -3.42 119.26 123.67 1fie h ALA 13 Ca -0.26 -0.34 -0.56 0.00 0.00 0.00 0.00 54.91 53.75 1fie h ALA 13 Cb 1.16 -0.07 -0.35 0.00 0.00 0.00 0.00 17.79 18.53 1fie h ALA 13 CO 0.18 0.49 -0.82 0.08 0.00 0.00 0.00 179.25 179.18 1fie s VAL 14 N -4.25 1.35 1.11 0.00 1.01 -1.26 -4.98 120.40 113.38 1fie s VAL 14 Ca -0.04 -0.54 -0.14 0.00 0.00 0.00 0.00 61.98 61.26 1fie s VAL 14 Cb 0.14 -1.26 0.19 0.00 0.00 0.00 0.00 36.38 35.45 1fie s VAL 14 CO 0.74 0.41 0.65 -2.65 0.00 0.00 0.00 175.10 174.26 1fie n PRO 15 N 4.36 -1.80 -2.12 2.72 -0.02 -1.26 -4.88 135.00 132.00 1fie n PRO 15 Ca -0.18 -0.49 -0.36 0.00 -2.02 0.00 0.00 63.50 60.45 1fie n PRO 15 Cb 0.51 -2.01 0.02 0.00 -0.02 0.00 0.00 33.50 31.99 1fie n PRO 15 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 1fie s PRO 16 N -4.05 3.26 -0.70 0.52 0.02 -1.26 -4.94 135.00 127.84 1fie s PRO 16 Ca 0.63 1.78 -0.04 0.00 0.02 0.00 0.00 61.00 63.40 1fie s PRO 16 Cb -0.21 -2.07 0.18 0.00 0.02 0.00 0.00 34.50 32.43 1fie s PRO 16 CO 0.65 -0.97 0.54 1.21 -0.33 0.00 0.00 177.00 178.11 1fie s ASN 17 N -1.56 5.53 -0.00 2.53 2.47 -1.26 -4.83 114.94 117.82 1fie s ASN 17 Ca 0.73 -3.02 0.00 0.00 0.42 0.00 0.00 52.86 50.99 1fie s ASN 17 Cb -0.29 -1.90 0.00 0.00 -1.45 0.00 0.00 41.25 37.62 1fie s ASN 17 CO 0.32 -0.35 0.83 -0.46 -3.72 0.00 0.00 177.10 173.72 1fie n ASN 18 N 3.29 1.29 -4.12 -4.21 0.23 -1.26 -1.32 115.26 109.17 1fie n ASN 18 Ca 0.11 -1.67 -0.29 0.00 -0.53 0.00 0.00 54.58 52.20 1fie n ASN 18 Cb 0.39 -0.01 -0.17 0.00 -2.08 0.00 0.00 39.78 37.91 1fie n ASN 18 CO 0.00 0.00 0.00 -0.55 -0.93 0.00 0.00 177.26 175.78 1fie s SER 19 N -0.68 2.54 0.07 0.53 0.15 -1.26 -3.91 113.70 111.14 1fie s SER 19 Ca 0.01 -0.45 -0.14 0.00 0.70 0.00 0.00 55.95 56.06 1fie s SER 19 Cb 0.00 -1.16 -0.24 0.00 -1.71 0.00 0.00 66.02 62.91 1fie s SER 19 CO 0.00 0.08 1.18 -1.13 1.20 0.00 0.00 173.24 174.56 1fie h ASN 20 N 7.03 0.91 0.06 5.45 -0.00 -1.92 -3.21 115.58 123.89 1fie h ASN 20 Ca -0.27 -0.75 -0.01 0.00 -0.00 0.00 0.00 56.30 55.27 1fie h ASN 20 Cb 1.20 -0.28 -0.00 0.00 -0.00 0.00 0.00 38.32 39.24 1fie h ASN 20 CO 0.48 1.55 -0.03 0.00 -0.00 0.00 0.00 177.43 179.44 1fie h ALA 21 N 0.38 1.59 -2.80 1.57 0.00 -1.94 -3.36 119.26 114.70 1fie h ALA 21 Ca -0.14 -0.02 -0.50 0.00 0.00 0.00 0.00 54.91 54.24 1fie h ALA 21 Cb 1.73 -0.00 0.02 0.00 0.00 0.00 0.00 17.79 19.54 1fie h ALA 21 CO 0.21 0.03 0.47 0.00 0.00 0.00 0.00 179.25 179.97 1fie s ALA 22 N -4.66 3.40 0.06 0.00 0.00 -1.21 -5.01 121.76 114.35 1fie s ALA 22 Ca -0.05 0.89 -0.12 0.00 0.00 0.00 0.00 51.96 52.69 1fie s ALA 22 Cb 0.15 -3.32 0.01 0.00 0.00 0.00 0.00 23.12 19.96 1fie s ALA 22 CO 0.58 -0.16 0.26 -1.83 0.00 0.00 0.00 175.76 174.62 1fie s GLU 23 N -1.45 0.82 0.40 0.00 -1.05 -1.26 -2.98 118.70 113.18 1fie s GLU 23 Ca 0.45 -0.66 0.07 0.00 -0.15 0.00 0.00 54.97 54.68 1fie s GLU 23 Cb -0.32 0.35 -0.07 0.00 -0.44 0.00 0.00 34.13 33.65 1fie s GLU 23 CO 0.41 -0.27 0.03 -0.51 0.95 0.00 0.00 175.26 175.87 1fie s ASP 24 N -2.34 3.97 -0.37 0.83 1.01 -1.26 -4.84 116.67 113.67 1fie s ASP 24 Ca -0.02 -1.30 -0.12 0.00 0.71 0.00 0.00 52.55 51.82 1fie s ASP 24 Cb 0.01 -0.41 0.01 0.00 1.01 0.00 0.00 42.92 43.53 1fie s ASP 24 CO -0.06 -0.44 0.23 -0.62 0.21 0.00 0.00 175.17 174.49 1fie s ASP 25 N -3.74 5.89 -0.05 0.27 2.15 -1.26 -5.06 116.67 114.87 1fie s ASP 25 Ca 0.36 -0.76 -0.30 0.00 0.43 0.00 0.00 52.55 52.28 1fie s ASP 25 Cb 0.08 -2.09 -0.03 0.00 -0.30 0.00 0.00 42.92 40.58 1fie s ASP 25 CO 0.19 -0.34 1.18 -0.76 -0.17 0.00 0.00 175.17 175.27 1fie s LEU 26 N 1.64 4.28 0.45 -1.34 1.43 -1.26 -4.99 118.68 118.89 1fie s LEU 26 Ca 0.04 1.79 -0.24 0.00 -1.03 0.00 0.00 54.13 54.70 1fie s LEU 26 Cb -0.18 -3.56 -0.09 0.00 0.03 0.00 0.00 46.19 42.39 1fie s LEU 26 CO 0.08 -0.56 1.14 -0.81 0.23 0.00 0.00 176.35 176.43 1fie n PRO 27 N 5.10 1.56 0.00 1.29 -0.04 -1.26 -4.89 135.00 136.76 1fie n PRO 27 Ca 0.11 0.56 0.14 0.00 -0.04 0.00 0.00 63.50 64.26 1fie n PRO 27 Cb 0.46 -2.23 0.51 0.00 -0.04 0.00 0.00 33.50 32.20 1fie n PRO 27 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1fie n THR 28 N -0.54 0.00 -4.67 0.52 -2.24 -1.26 -4.58 114.28 101.51 1fie n THR 28 Ca 0.09 -0.16 -0.25 0.00 -2.27 0.00 0.00 64.05 61.46 1fie n THR 28 Cb 0.41 0.30 -0.16 0.00 -2.10 0.00 0.00 70.33 68.77 1fie n THR 28 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1fie s VAL 29 N -2.27 1.24 -0.37 2.28 -7.23 -1.26 -0.85 120.40 111.94 1fie s VAL 29 Ca 0.32 -0.55 -0.26 0.00 -1.81 0.00 0.00 61.98 59.67 1fie s VAL 29 Cb 0.20 -1.11 0.02 0.00 0.56 0.00 0.00 36.38 36.04 1fie s VAL 29 CO 0.43 0.38 0.96 0.12 -0.31 0.00 0.00 175.10 176.68 1fie s PHE 44 N 0.53 3.07 0.00 2.82 5.36 -1.26 -5.71 117.98 122.79 1fie s PHE 44 Ca -0.13 0.83 0.00 0.00 -0.96 0.00 0.00 56.93 56.67 1fie s PHE 44 Cb -0.15 -3.71 0.00 0.00 -0.34 0.00 0.00 43.02 38.82 1fie s PHE 44 CO 0.04 -0.85 0.00 -0.11 -1.46 0.00 0.00 175.22 172.84 1fie n LEU 45 N 6.86 0.00 -4.56 6.12 7.94 -1.26 -5.01 117.00 127.09 1fie n LEU 45 Ca 0.08 0.00 -0.25 0.00 -1.11 0.00 0.00 56.01 54.73 1fie n LEU 45 Cb 0.48 0.00 -0.09 0.00 0.53 0.00 0.00 43.42 44.34 1fie n LEU 45 CO 0.59 0.00 -0.41 0.20 -1.11 0.00 0.00 177.39 176.66 1fie s ASN 46 N 0.00 4.16 -0.22 1.96 0.02 -1.26 -4.93 114.94 114.67 1fie s ASN 46 Ca 0.00 -0.68 -0.09 0.00 -1.02 0.00 0.00 52.86 51.07 1fie s ASN 46 Cb 0.00 -0.65 -0.04 0.00 0.02 0.00 0.00 41.25 40.57 1fie s ASN 46 CO 0.00 0.07 0.11 0.54 0.02 0.00 0.00 177.10 177.84 1fie s VAL 47 N -1.95 4.94 -0.16 1.60 0.11 -1.26 0.68 120.40 124.35 1fie s VAL 47 Ca 0.27 0.03 -0.12 0.00 -2.93 0.00 0.00 61.98 59.23 1fie s VAL 47 Cb -0.08 -3.28 -0.23 0.00 -1.53 0.00 0.00 36.38 31.27 1fie s VAL 47 CO 0.16 0.38 0.28 0.35 -3.33 0.00 0.00 175.10 172.94 1fie n THR 48 N 4.15 1.69 -3.72 5.04 -2.24 0.15 -4.91 114.28 114.43 1fie n THR 48 Ca -0.16 -0.43 -0.14 0.00 -2.27 0.00 0.00 64.05 61.05 1fie n THR 48 Cb 0.52 -1.84 -0.09 0.00 -2.10 0.00 0.00 70.33 66.83 1fie n THR 48 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1fie s SER 49 N -6.98 -0.32 0.01 3.42 1.04 -1.03 -5.02 113.70 104.83 1fie s SER 49 Ca -0.25 0.38 0.06 0.00 0.48 0.00 0.00 55.95 56.63 1fie s SER 49 Cb 0.07 0.50 -0.03 0.00 0.10 0.00 0.00 66.02 66.65 1fie s SER 49 CO 0.70 -0.38 -0.19 -0.69 0.98 0.00 0.00 173.24 173.67 1fie s VAL 50 N -0.85 2.73 -0.15 5.02 1.01 -1.26 0.18 120.40 127.08 1fie s VAL 50 Ca -0.09 -1.08 0.01 0.00 0.00 0.00 0.00 61.98 60.82 1fie s VAL 50 Cb -0.04 -2.10 0.02 0.00 0.00 0.00 0.00 36.38 34.26 1fie s VAL 50 CO 0.04 0.43 -0.18 -1.00 0.00 0.00 0.00 175.10 174.39 1fie s HIS 51 N -0.83 2.43 -0.01 5.22 3.76 0.22 -4.93 115.29 121.14 1fie s HIS 51 Ca 0.13 -1.33 0.04 0.00 -0.15 0.00 0.00 55.06 53.75 1fie s HIS 51 Cb -0.10 -1.71 -0.03 0.00 1.11 0.00 0.00 32.58 31.84 1fie s HIS 51 CO 0.03 -0.67 -0.12 -0.51 -0.85 0.00 0.00 174.74 172.62 1fie s LEU 52 N 1.21 2.90 -1.08 0.89 1.43 -1.26 0.42 118.68 123.20 1fie s LEU 52 Ca 0.01 -0.22 -0.02 0.00 -1.03 0.00 0.00 54.13 52.86 1fie s LEU 52 Cb -0.14 -1.66 0.29 0.00 0.03 0.00 0.00 46.19 44.71 1fie s LEU 52 CO -0.08 0.30 1.84 0.49 0.23 0.00 0.00 176.35 179.12 1fie n PHE 53 N 1.80 2.66 1.12 0.29 3.72 -1.25 -4.70 117.46 121.10 1fie n PHE 53 Ca -0.16 -2.60 0.12 0.00 -0.05 0.00 0.00 57.45 54.76 1fie n PHE 53 Cb 0.52 -1.30 0.60 0.00 -0.94 0.00 0.00 39.48 38.36 1fie n PHE 53 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 176.76 177.07 1fie n LYS 54 N 0.48 0.34 -1.73 -1.08 2.85 -1.26 -4.02 118.16 113.74 1fie n LYS 54 Ca 0.45 0.06 -0.42 0.00 -1.05 0.00 0.00 58.31 57.35 1fie n LYS 54 Cb 0.27 -1.50 -0.01 0.00 -0.65 0.00 0.00 35.03 33.15 1fie n LYS 54 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 1fie n GLU 55 N -1.28 2.41 0.33 -1.58 -0.58 -1.26 -4.79 120.64 113.88 1fie n GLU 55 Ca 0.11 0.85 0.21 0.00 -0.42 0.00 0.00 57.16 57.91 1fie n GLU 55 Cb 0.19 -2.51 1.11 0.00 -0.57 0.00 0.00 31.44 29.65 1fie n GLU 55 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1fie h ARG 56 N 3.00 0.00 0.00 3.49 3.08 -1.93 -0.15 114.38 121.87 1fie h ARG 56 Ca -0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.57 1fie h ARG 56 Cb 1.26 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.31 1fie h ARG 56 CO 0.65 0.00 -0.83 -2.67 -1.07 0.00 0.00 179.97 176.06 1fie n TRP 57 N -3.14 0.11 -1.11 3.04 2.14 -1.26 -4.51 117.44 112.71 1fie n TRP 57 Ca -0.02 0.03 -0.29 0.00 2.07 0.00 0.00 57.50 59.29 1fie n TRP 57 Cb 0.11 -0.27 0.16 0.00 -0.81 0.00 0.00 31.31 30.51 1fie n TRP 57 CO 0.00 0.00 0.00 -0.51 2.07 0.00 0.00 177.69 179.25 1fie s ASP 58 N -3.38 2.95 0.12 -0.67 1.01 -0.07 -4.86 116.67 111.77 1fie s ASP 58 Ca 0.07 1.43 -0.31 0.00 0.71 0.00 0.00 52.55 54.45 1fie s ASP 58 Cb 0.16 -2.10 -0.09 0.00 1.01 0.00 0.00 42.92 41.90 1fie s ASP 58 CO 0.78 -2.96 1.57 0.74 0.21 0.00 0.00 175.17 175.51 1fie h THR 59 N -1.77 0.10 0.00 -1.27 2.02 -1.83 -2.56 112.91 107.59 1fie h THR 59 Ca -0.52 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.66 1fie h THR 59 Cb 1.30 0.10 0.00 0.00 -1.74 0.00 0.00 68.15 67.81 1fie h THR 59 CO 0.55 0.00 0.00 0.59 0.37 0.00 0.00 175.52 177.03 1fie n ASN 60 N -5.45 0.00 -0.31 4.18 3.02 -1.26 0.16 115.26 115.60 1fie n ASN 60 Ca -0.06 0.84 0.06 0.00 -0.03 0.00 0.00 54.58 55.40 1fie n ASN 60 Cb 0.38 -0.34 0.21 0.00 -0.61 0.00 0.00 39.78 39.41 1fie n ASN 60 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 1fie h LYS 61 N 0.00 0.76 0.40 3.52 1.57 -1.75 0.29 116.57 121.36 1fie h LYS 61 Ca 0.00 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.71 1fie h LYS 61 Cb 0.00 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.14 1fie h LYS 61 CO 0.00 0.51 -0.19 0.28 -0.57 0.00 0.00 179.45 179.47 1fie h VAL 62 N 0.79 0.60 -0.85 0.50 2.07 -1.34 0.16 116.25 118.17 1fie h VAL 62 Ca 0.45 -0.27 0.12 0.00 0.82 0.00 0.00 66.70 67.83 1fie h VAL 62 Cb 0.51 0.73 -0.08 0.00 -1.52 0.00 0.00 31.29 30.93 1fie h VAL 62 CO -0.29 0.05 0.47 0.44 0.02 0.00 0.00 177.57 178.25 1fie h ASP 63 N -0.70 0.62 0.92 0.57 3.32 0.72 -0.38 116.42 121.49 1fie h ASP 63 Ca -0.06 0.07 0.00 0.00 0.02 0.00 0.00 57.03 57.06 1fie h ASP 63 Cb 0.50 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.01 1fie h ASP 63 CO 0.09 0.31 0.00 1.41 -1.72 0.00 0.00 179.24 179.33 1fie n HIS 64 N -4.80 0.00 -3.10 4.55 8.25 0.91 -4.90 115.22 116.13 1fie n HIS 64 Ca 0.16 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.45 1fie n HIS 64 Cb 0.36 -0.47 0.05 0.00 1.12 0.00 0.00 29.99 31.05 1fie n HIS 64 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1fie n HIS 65 N -1.47 -1.80 -0.53 4.41 8.25 -0.04 -4.70 115.22 119.35 1fie n HIS 65 Ca 0.08 0.59 0.05 0.00 -0.26 0.00 0.00 57.72 58.19 1fie n HIS 65 Cb 0.32 -3.72 0.11 0.00 1.12 0.00 0.00 29.99 27.82 1fie n HIS 65 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1fie n THR 66 N -4.23 1.48 0.25 1.59 -2.24 0.35 -4.68 114.28 106.81 1fie n THR 66 Ca -0.02 -1.55 0.14 0.00 -2.27 0.00 0.00 64.05 60.35 1fie n THR 66 Cb 0.56 0.15 0.52 0.00 -2.10 0.00 0.00 70.33 69.45 1fie n THR 66 CO 0.00 0.00 0.00 -2.24 -0.57 0.00 0.00 175.07 172.26 1fie h ASP 67 N 0.59 0.00 0.76 3.42 2.03 -1.83 -3.26 116.42 118.14 1fie h ASP 67 Ca 0.00 0.00 -0.10 0.00 -0.73 0.00 0.00 57.03 56.20 1fie h ASP 67 Cb 0.84 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.33 1fie h ASP 67 CO 0.03 0.08 -0.47 0.11 -1.03 0.00 0.00 179.24 177.96 1fie h LYS 68 N 0.00 0.00 -6.80 4.15 1.57 -1.91 -3.46 116.57 110.12 1fie h LYS 68 Ca -0.00 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.25 1fie h LYS 68 Cb 0.69 0.00 0.07 0.00 0.08 0.00 0.00 32.23 33.06 1fie h LYS 68 CO 0.01 0.47 0.73 0.71 -0.57 0.00 0.00 179.45 180.81 1fie s TYR 69 N -3.60 2.97 -1.29 -1.35 1.51 -1.23 -4.80 117.35 109.56 1fie s TYR 69 Ca -0.00 1.14 -0.14 0.00 -1.01 0.00 0.00 57.07 57.05 1fie s TYR 69 Cb 0.12 -3.81 0.12 0.00 -0.11 0.00 0.00 41.96 38.28 1fie s TYR 69 CO 0.72 -2.51 1.73 0.39 -1.11 0.00 0.00 175.55 174.76 1fie n GLU 70 N 1.72 3.30 -3.89 -0.62 -0.58 0.14 -4.88 120.64 115.84 1fie n GLU 70 Ca 0.04 -3.45 -0.11 0.00 -0.42 0.00 0.00 57.16 53.23 1fie n GLU 70 Cb 0.40 -3.18 -0.11 0.00 -0.57 0.00 0.00 31.44 27.98 1fie n GLU 70 CO 0.00 0.00 0.00 1.21 -0.48 0.00 0.00 177.13 177.86 1fie s ASN 71 N 2.85 0.03 -0.27 1.62 3.84 -1.26 -4.27 114.94 117.49 1fie s ASN 71 Ca 0.46 -0.14 0.12 0.00 0.21 0.00 0.00 52.86 53.51 1fie s ASN 71 Cb 0.04 0.18 0.60 0.00 -0.55 0.00 0.00 41.25 41.52 1fie s ASN 71 CO 0.01 -0.23 1.57 -0.46 -2.79 0.00 0.00 177.10 175.20 1fie n ASN 72 N 2.05 3.77 -4.66 -4.21 6.94 -1.26 -4.95 115.26 112.93 1fie n ASN 72 Ca -0.19 -3.32 -0.28 0.00 -0.02 0.00 0.00 54.58 50.77 1fie n ASN 72 Cb 0.57 -0.64 -0.10 0.00 -2.36 0.00 0.00 39.78 37.24 1fie n ASN 72 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 1fie s LYS 73 N -3.02 2.04 0.31 -3.83 -0.14 -1.26 -5.07 119.74 108.76 1fie s LYS 73 Ca 0.47 -2.07 -0.28 0.00 -1.36 0.00 0.00 55.97 52.74 1fie s LYS 73 Cb 0.40 -1.72 -0.09 0.00 -1.68 0.00 0.00 37.83 34.74 1fie s LYS 73 CO 0.08 -0.09 1.01 -1.17 -0.76 0.00 0.00 175.35 174.42 1fie s LEU 74 N -3.77 4.44 -0.17 3.17 2.96 -1.25 -4.99 118.68 119.08 1fie s LEU 74 Ca 0.35 2.03 -0.03 0.00 -0.22 0.00 0.00 54.13 56.26 1fie s LEU 74 Cb 0.08 -3.83 0.05 0.00 0.50 0.00 0.00 46.19 42.99 1fie s LEU 74 CO 0.18 -0.12 0.03 -0.63 -1.32 0.00 0.00 176.35 174.50 1fie s ILE 75 N -1.38 0.43 0.42 6.68 1.01 -1.26 -1.78 121.20 125.32 1fie s ILE 75 Ca 0.48 -0.38 0.07 0.00 0.00 0.00 0.00 60.65 60.81 1fie s ILE 75 Cb -0.25 -0.89 -0.06 0.00 0.01 0.00 0.00 42.46 41.28 1fie s ILE 75 CO 0.32 -0.13 0.13 0.68 0.00 0.00 0.00 174.94 175.94 1fie s VAL 76 N 1.91 2.17 -0.13 2.92 -7.23 0.55 -4.70 120.40 115.90 1fie s VAL 76 Ca 0.01 -1.79 0.01 0.00 -1.81 0.00 0.00 61.98 58.39 1fie s VAL 76 Cb -0.16 -2.96 -0.01 0.00 0.56 0.00 0.00 36.38 33.81 1fie s VAL 76 CO -0.08 0.00 -0.15 -0.13 -0.31 0.00 0.00 175.10 174.43 1fie s ARG 77 N -3.85 3.30 0.98 4.82 0.52 -1.26 -1.26 118.95 122.19 1fie s ARG 77 Ca 0.38 -0.73 -0.14 0.00 -0.52 0.00 0.00 55.73 54.72 1fie s ARG 77 Cb 0.06 -2.57 0.02 0.00 0.52 0.00 0.00 34.95 32.97 1fie s ARG 77 CO 0.21 0.18 0.18 2.89 0.02 0.00 0.00 175.30 178.77 1fie n ARG 78 N 3.61 -0.39 -1.40 3.54 1.85 -0.14 -3.67 116.66 120.07 1fie n ARG 78 Ca -0.18 -0.08 -0.14 0.00 -1.00 0.00 0.00 57.85 56.45 1fie n ARG 78 Cb 0.53 -1.72 -0.06 0.00 -1.05 0.00 0.00 32.46 30.16 1fie n ARG 78 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1fie n GLY 79 N 1.84 1.42 3.13 2.89 0.00 -1.15 -4.56 105.19 108.76 1fie n GLY 79 Ca 0.05 -0.29 -0.10 0.00 0.00 0.00 0.00 46.02 45.67 1fie n GLY 79 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1fie s GLN 80 N -3.11 0.57 0.54 1.61 0.74 -1.24 -4.81 119.66 113.95 1fie s GLN 80 Ca 0.00 -0.57 -0.18 0.00 0.05 0.00 0.00 55.36 54.66 1fie s GLN 80 Cb 0.00 0.23 -0.06 0.00 1.10 0.00 0.00 33.01 34.28 1fie s GLN 80 CO 0.00 -0.15 1.05 -1.12 -0.55 0.00 0.00 175.29 174.52 1fie s SER 81 N -1.79 6.08 0.15 6.67 0.01 -1.26 -4.09 113.70 119.46 1fie s SER 81 Ca -0.09 1.87 -0.16 0.00 1.31 0.00 0.00 55.95 58.88 1fie s SER 81 Cb -0.04 -2.55 0.03 0.00 0.21 0.00 0.00 66.02 63.67 1fie s SER 81 CO -0.02 -0.96 0.42 0.72 0.41 0.00 0.00 173.24 173.81 1fie s PHE 82 N -2.21 -0.11 -0.01 2.43 -0.71 -0.33 -4.99 117.98 112.06 1fie s PHE 82 Ca 0.65 -0.22 0.02 0.00 -1.04 0.00 0.00 56.93 56.34 1fie s PHE 82 Cb -0.16 0.26 -0.03 0.00 -1.21 0.00 0.00 43.02 41.87 1fie s PHE 82 CO 0.28 -0.76 -0.03 0.71 -1.34 0.00 0.00 175.22 174.08 1fie s TYR 83 N -3.84 3.00 0.08 3.49 2.02 -1.26 -0.46 117.35 120.38 1fie s TYR 83 Ca 0.06 0.04 -0.03 0.00 -0.37 0.00 0.00 57.07 56.76 1fie s TYR 83 Cb 0.01 -1.65 -0.03 0.00 -0.40 0.00 0.00 41.96 39.89 1fie s TYR 83 CO -0.08 0.42 0.06 0.14 -1.57 0.00 0.00 175.55 174.52 1fie s VAL 84 N -1.03 0.17 -0.17 0.71 -7.23 -1.00 -3.82 120.40 108.03 1fie s VAL 84 Ca 0.18 -1.65 -0.04 0.00 -1.81 0.00 0.00 61.98 58.66 1fie s VAL 84 Cb -0.11 -1.60 0.07 0.00 0.56 0.00 0.00 36.38 35.29 1fie s VAL 84 CO 0.08 -0.76 0.14 -1.58 -0.31 0.00 0.00 175.10 172.67 1fie s GLN 85 N -3.93 0.09 0.20 4.82 0.74 0.17 -0.38 119.66 121.36 1fie s GLN 85 Ca 0.11 0.10 -0.18 0.00 0.05 0.00 0.00 55.36 55.44 1fie s GLN 85 Cb 0.07 -1.40 -0.08 0.00 1.10 0.00 0.00 33.01 32.70 1fie s GLN 85 CO -0.07 -0.61 0.67 0.42 -0.55 0.00 0.00 175.29 175.14 1fie s ILE 86 N 2.22 4.66 -0.28 -2.34 1.09 -0.99 0.68 121.20 126.25 1fie s ILE 86 Ca 0.04 1.15 0.03 0.00 -1.10 0.00 0.00 60.65 60.76 1fie s ILE 86 Cb -0.15 -3.82 0.07 0.00 -1.06 0.00 0.00 42.46 37.49 1fie s ILE 86 CO -0.09 0.23 -0.06 -1.81 -0.10 0.00 0.00 174.94 173.11 1fie s ASP 87 N -1.65 4.43 0.68 3.58 1.11 0.13 -2.48 116.67 122.46 1fie s ASP 87 Ca 0.41 -1.55 -0.03 0.00 0.18 0.00 0.00 52.55 51.55 1fie s ASP 87 Cb -0.16 -1.50 0.08 0.00 1.07 0.00 0.00 42.92 42.41 1fie s ASP 87 CO 0.20 -0.25 0.96 -0.36 1.18 0.00 0.00 175.17 176.91 1fie s PHE 88 N 1.11 2.46 -0.17 4.23 0.08 0.03 0.29 117.98 126.01 1fie s PHE 88 Ca -0.03 0.11 0.28 0.00 0.12 0.00 0.00 56.93 57.41 1fie s PHE 88 Cb -0.20 -3.08 0.85 0.00 -0.57 0.00 0.00 43.02 40.03 1fie s PHE 88 CO -0.06 -1.42 1.80 0.66 -0.10 0.00 0.00 175.22 176.10 1fie h SER 89 N -0.46 0.00 -5.09 1.36 4.64 -0.07 -3.43 113.55 110.51 1fie h SER 89 Ca -0.42 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 60.85 1fie h SER 89 Cb 1.29 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 63.25 1fie h SER 89 CO 0.51 0.00 -0.09 0.00 -0.87 0.00 0.00 176.83 176.38 1fie s ARG 90 N -3.44 1.08 0.08 4.77 1.70 -1.26 -4.97 118.95 116.90 1fie s ARG 90 Ca 0.04 -0.75 -0.31 0.00 -0.47 0.00 0.00 55.73 54.24 1fie s ARG 90 Cb 0.07 0.46 -0.09 0.00 -0.57 0.00 0.00 34.95 34.82 1fie s ARG 90 CO 0.61 -0.42 1.74 -2.14 -1.08 0.00 0.00 175.30 174.01 1fie s PRO 91 N -3.82 4.17 0.29 3.89 0.02 -1.26 -4.59 135.00 133.69 1fie s PRO 91 Ca 0.04 2.44 -0.29 0.00 0.02 0.00 0.00 61.00 63.21 1fie s PRO 91 Cb 0.02 -3.68 -0.10 0.00 0.02 0.00 0.00 34.50 30.77 1fie s PRO 91 CO -0.11 -0.80 1.20 -0.47 -0.33 0.00 0.00 177.00 176.49 1fie s TYR 92 N 2.94 3.34 -0.03 6.54 5.04 -1.26 -4.95 117.35 128.97 1fie s TYR 92 Ca 0.78 1.53 0.01 0.00 -2.44 0.00 0.00 57.07 56.95 1fie s TYR 92 Cb -0.42 -3.47 0.02 0.00 0.35 0.00 0.00 41.96 38.44 1fie s TYR 92 CO 0.34 -1.20 -0.02 0.16 -1.34 0.00 0.00 175.55 173.49 1fie s ASP 93 N -0.56 0.58 0.00 4.32 -4.77 -1.26 -5.00 116.67 109.98 1fie s ASP 93 Ca 0.48 -0.06 0.00 0.00 -3.30 0.00 0.00 52.55 49.66 1fie s ASP 93 Cb -0.35 -0.28 0.00 0.00 -1.09 0.00 0.00 42.92 41.19 1fie s ASP 93 CO 0.45 -0.07 0.00 -2.65 0.70 0.00 0.00 175.17 173.60 1fie n PRO 94 N 4.02 0.00 -0.02 2.11 -0.02 -1.26 -2.84 135.00 137.00 1fie n PRO 94 Ca -0.26 0.00 0.01 0.00 -2.02 0.00 0.00 63.50 61.23 1fie n PRO 94 Cb 0.51 -1.00 -0.06 0.00 -0.02 0.00 0.00 33.50 32.93 1fie n PRO 94 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 1fie n ARG 95 N 0.29 1.35 0.00 -0.52 0.63 -1.26 -4.74 116.66 112.41 1fie n ARG 95 Ca 0.00 -0.04 0.00 0.00 -0.92 0.00 0.00 57.85 56.89 1fie n ARG 95 Cb 0.00 -1.19 0.00 0.00 0.45 0.00 0.00 32.46 31.72 1fie n ARG 95 CO 0.00 0.00 0.00 2.89 -2.51 0.00 0.00 177.63 178.01 1fie n ARG 96 N -1.99 0.13 -4.93 -0.14 1.85 -1.18 -5.08 116.66 105.32 1fie n ARG 96 Ca -0.06 -0.50 -0.28 0.00 -1.00 0.00 0.00 57.85 56.01 1fie n ARG 96 Cb 0.44 -0.52 -0.16 0.00 -1.05 0.00 0.00 32.46 31.16 1fie n ARG 96 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 1fie s ASP 97 N -0.05 2.42 -0.04 2.89 1.01 -1.13 -5.04 116.67 116.73 1fie s ASP 97 Ca 0.00 -0.41 -0.02 0.00 0.71 0.00 0.00 52.55 52.83 1fie s ASP 97 Cb 0.00 -0.88 0.03 0.00 1.01 0.00 0.00 42.92 43.08 1fie s ASP 97 CO 0.00 0.14 0.08 -0.22 0.21 0.00 0.00 175.17 175.38 1fie s LEU 98 N 0.23 0.62 0.24 1.23 2.96 -1.26 -4.71 118.68 117.99 1fie s LEU 98 Ca -0.10 0.15 -0.14 0.00 -0.22 0.00 0.00 54.13 53.82 1fie s LEU 98 Cb -0.14 0.06 -0.00 0.00 0.50 0.00 0.00 46.19 46.61 1fie s LEU 98 CO 0.04 -0.18 0.48 0.72 -1.32 0.00 0.00 176.35 176.10 1fie s PHE 99 N 1.52 0.28 0.00 5.38 -0.71 -1.26 -2.36 117.98 120.83 1fie s PHE 99 Ca -0.04 -0.65 -0.27 0.00 -1.04 0.00 0.00 56.93 54.93 1fie s PHE 99 Cb -0.12 0.23 0.06 0.00 -1.21 0.00 0.00 43.02 41.98 1fie s PHE 99 CO -0.04 -0.98 0.62 -0.98 -1.34 0.00 0.00 175.22 172.49 1fie s ARG 100 N -3.99 1.07 -0.05 1.99 1.70 -0.33 -4.54 118.95 114.80 1fie s ARG 100 Ca 0.20 0.02 -0.19 0.00 -0.47 0.00 0.00 55.73 55.29 1fie s ARG 100 Cb -0.01 0.50 -0.05 0.00 -0.57 0.00 0.00 34.95 34.82 1fie s ARG 100 CO 0.07 -0.37 0.53 0.08 -1.08 0.00 0.00 175.30 174.54 1fie s VAL 101 N -1.85 5.04 -0.06 4.99 1.01 -1.03 -0.92 120.40 127.59 1fie s VAL 101 Ca -0.08 1.10 0.01 0.00 0.00 0.00 0.00 61.98 63.01 1fie s VAL 101 Cb -0.01 -3.87 -0.03 0.00 0.00 0.00 0.00 36.38 32.48 1fie s VAL 101 CO 0.04 0.39 -0.06 -1.61 0.00 0.00 0.00 175.10 173.86 1fie s GLU 102 N 0.07 2.74 -0.11 2.72 2.02 0.18 -0.07 118.70 126.25 1fie s GLU 102 Ca 0.29 -0.57 0.02 0.00 0.02 0.00 0.00 54.97 54.73 1fie s GLU 102 Cb -0.17 -2.59 0.01 0.00 0.10 0.00 0.00 34.13 31.48 1fie s GLU 102 CO 0.14 0.66 -0.15 0.71 0.02 0.00 0.00 175.26 176.64 1fie s TYR 103 N -0.85 1.94 -0.01 1.61 2.02 0.03 -1.00 117.35 121.09 1fie s TYR 103 Ca 0.13 -0.90 0.02 0.00 -0.37 0.00 0.00 57.07 55.96 1fie s TYR 103 Cb -0.11 -1.40 -0.00 0.00 -0.40 0.00 0.00 41.96 40.05 1fie s TYR 103 CO 0.03 -0.46 -0.06 0.14 -1.57 0.00 0.00 175.55 173.63 1fie s VAL 104 N 0.96 0.50 0.12 0.71 -7.23 -0.94 -0.74 120.40 113.77 1fie s VAL 104 Ca -0.07 -0.25 0.06 0.00 -1.81 0.00 0.00 61.98 59.91 1fie s VAL 104 Cb -0.15 -0.43 -0.04 0.00 0.56 0.00 0.00 36.38 36.32 1fie s VAL 104 CO -0.01 0.15 -0.15 0.27 -0.31 0.00 0.00 175.10 175.05 1fie s ILE 105 N -0.01 1.40 0.15 -0.62 -4.36 -0.91 -1.05 121.20 115.79 1fie s ILE 105 Ca 0.01 -1.66 0.00 0.00 -0.26 0.00 0.00 60.65 58.74 1fie s ILE 105 Cb -0.04 -1.50 0.00 0.00 1.25 0.00 0.00 42.46 42.17 1fie s ILE 105 CO -0.00 -0.34 0.00 0.61 0.24 0.00 0.00 174.94 175.45 1fie n GLY 106 N 0.68 -1.61 0.02 6.27 0.00 -1.22 -4.30 105.19 105.02 1fie n GLY 106 Ca -0.16 -1.37 0.12 0.00 0.00 0.00 0.00 46.02 44.60 1fie n GLY 106 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1fie n ARG 107 N -2.48 0.14 -3.27 1.61 0.63 -1.16 -4.34 116.66 107.79 1fie n ARG 107 Ca 0.00 0.02 -0.25 0.00 -0.92 0.00 0.00 57.85 56.70 1fie n ARG 107 Cb 0.28 -1.56 -0.08 0.00 0.45 0.00 0.00 32.46 31.55 1fie n ARG 107 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 1fie n TYR 108 N -1.76 0.15 -2.50 -0.14 4.01 -1.26 -4.59 117.16 111.08 1fie n TYR 108 Ca 0.04 -3.62 -0.40 0.00 -0.16 0.00 0.00 57.90 53.76 1fie n TYR 108 Cb 0.38 -0.29 -0.04 0.00 -0.31 0.00 0.00 39.34 39.08 1fie n TYR 108 CO 0.00 0.00 0.00 -2.14 -0.46 0.00 0.00 176.86 174.26 1fie s PRO 109 N -1.17 4.57 -0.11 -0.72 0.02 -1.26 -4.82 135.00 131.51 1fie s PRO 109 Ca 0.35 1.74 -0.06 0.00 0.02 0.00 0.00 61.00 63.06 1fie s PRO 109 Cb 0.14 -3.08 0.05 0.00 0.02 0.00 0.00 34.50 31.63 1fie s PRO 109 CO -0.11 0.16 0.25 -0.65 -0.33 0.00 0.00 177.00 176.33 1fie s GLN 110 N -1.61 0.22 0.10 5.54 -0.21 -1.26 -4.81 119.66 117.62 1fie s GLN 110 Ca 0.47 0.54 0.20 0.00 0.02 0.00 0.00 55.36 56.58 1fie s GLN 110 Cb -0.30 -0.11 0.82 0.00 1.00 0.00 0.00 33.01 34.42 1fie s GLN 110 CO 0.38 -0.16 1.62 -0.85 -2.12 0.00 0.00 175.29 174.16 1fie n GLU 111 N 4.18 0.08 0.05 2.91 0.28 -1.24 -0.97 120.64 125.93 1fie n GLU 111 Ca -0.25 0.28 -0.07 0.00 -0.16 0.00 0.00 57.16 56.96 1fie n GLU 111 Cb 0.53 -1.64 0.10 0.00 1.43 0.00 0.00 31.44 31.86 1fie n GLU 111 CO 0.00 0.00 0.00 -0.97 -0.16 0.00 0.00 177.13 176.00 1fie h ASN 112 N 0.00 0.43 -0.02 -1.84 -0.73 -1.94 -3.15 115.58 108.33 1fie h ASN 112 Ca 0.00 -0.23 0.00 0.00 1.87 0.00 0.00 56.30 57.94 1fie h ASN 112 Cb 0.35 -0.12 0.00 0.00 0.27 0.00 0.00 38.32 38.81 1fie h ASN 112 CO 0.00 0.90 -0.33 0.29 -0.37 0.00 0.00 177.43 177.92 1fie n LYS 113 N -3.93 1.52 -0.64 6.67 4.76 -0.14 -4.98 118.16 121.42 1fie n LYS 113 Ca -0.03 -1.08 0.00 0.00 -2.87 0.00 0.00 58.31 54.33 1fie n LYS 113 Cb 0.60 -1.39 0.00 0.00 -1.84 0.00 0.00 35.03 32.40 1fie n LYS 113 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1fie n GLY 114 N 1.28 1.20 0.25 0.72 0.00 -0.24 -4.56 105.19 103.83 1fie n GLY 114 Ca 0.09 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.25 1fie n GLY 114 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1fie n THR 115 N -2.00 0.00 -3.68 2.61 -2.24 -0.67 -4.55 114.28 103.75 1fie n THR 115 Ca 0.00 -0.13 -0.29 0.00 -2.27 0.00 0.00 64.05 61.37 1fie n THR 115 Cb 0.00 0.07 -0.16 0.00 -2.10 0.00 0.00 70.33 68.14 1fie n THR 115 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1fie s TYR 116 N -2.12 1.05 -0.26 4.78 5.04 -1.15 -2.14 117.35 122.55 1fie s TYR 116 Ca 0.38 -1.12 -0.05 0.00 -2.44 0.00 0.00 57.07 53.84 1fie s TYR 116 Cb 0.21 -1.21 0.00 0.00 0.35 0.00 0.00 41.96 41.32 1fie s TYR 116 CO 0.38 -0.74 0.02 0.42 -1.34 0.00 0.00 175.55 174.29 1fie s ILE 117 N 1.85 3.64 -0.33 3.14 1.09 0.08 -3.60 121.20 127.07 1fie s ILE 117 Ca 0.05 -0.64 -0.17 0.00 -1.10 0.00 0.00 60.65 58.79 1fie s ILE 117 Cb -0.17 -2.79 -0.01 0.00 -1.06 0.00 0.00 42.46 38.42 1fie s ILE 117 CO -0.20 0.23 0.46 -2.84 -0.10 0.00 0.00 174.94 172.48 1fie s PRO 118 N 1.48 3.71 -0.38 2.79 0.02 -1.26 -0.79 135.00 140.57 1fie s PRO 118 Ca 0.03 -0.14 -0.17 0.00 0.02 0.00 0.00 61.00 60.75 1fie s PRO 118 Cb -0.16 -3.77 0.00 0.00 0.02 0.00 0.00 34.50 30.60 1fie s PRO 118 CO -0.00 -0.53 0.45 0.08 -0.33 0.00 0.00 177.00 176.67 1fie s VAL 119 N 2.25 5.07 0.18 3.83 1.01 0.90 -4.96 120.40 128.68 1fie s VAL 119 Ca 0.17 0.02 -0.23 0.00 0.00 0.00 0.00 61.98 61.95 1fie s VAL 119 Cb -0.16 -3.96 -0.08 0.00 0.00 0.00 0.00 36.38 32.18 1fie s VAL 119 CO 0.12 -0.27 0.74 -2.16 0.00 0.00 0.00 175.10 173.53 1fie s PRO 120 N 2.23 4.41 -0.84 2.72 0.04 -1.26 -2.45 135.00 139.85 1fie s PRO 120 Ca 0.15 1.01 -0.25 0.00 0.04 0.00 0.00 61.00 61.95 1fie s PRO 120 Cb -0.16 -3.10 0.00 0.00 0.04 0.00 0.00 34.50 31.28 1fie s PRO 120 CO 0.13 0.50 1.66 0.96 0.04 0.00 0.00 177.00 180.30 1fie s ILE 121 N -1.30 3.61 0.46 0.56 -4.36 -1.26 -0.94 121.20 117.96 1fie s ILE 121 Ca 0.38 -0.20 -0.09 0.00 -0.26 0.00 0.00 60.65 60.47 1fie s ILE 121 Cb -0.20 -4.46 -0.05 0.00 1.25 0.00 0.00 42.46 38.99 1fie s ILE 121 CO 0.23 -1.39 0.82 -0.69 0.24 0.00 0.00 174.94 174.15 1fie s VAL 122 N 7.61 4.79 0.08 8.37 1.01 0.14 -4.90 120.40 137.51 1fie s VAL 122 Ca 0.56 0.57 -0.17 0.00 0.00 0.00 0.00 61.98 62.94 1fie s VAL 122 Cb -0.06 -3.78 -0.09 0.00 0.00 0.00 0.00 36.38 32.44 1fie s VAL 122 CO 0.04 -0.69 1.44 0.28 0.00 0.00 0.00 175.10 176.17 1fie h SER 123 N 0.77 0.56 -4.58 3.32 0.02 -1.92 -3.38 113.55 108.34 1fie h SER 123 Ca -0.47 -0.42 -0.27 0.00 -0.84 0.00 0.00 61.79 59.80 1fie h SER 123 Cb 1.19 -0.16 -0.15 0.00 0.14 0.00 0.00 62.40 63.43 1fie h SER 123 CO 0.63 0.85 -0.67 -0.70 -1.14 0.00 0.00 176.83 175.80 1fie s GLU 124 N -4.57 1.03 -0.53 3.45 2.56 -1.26 -4.90 118.70 114.48 1fie s GLU 124 Ca -0.13 -1.48 -0.18 0.00 0.00 0.00 0.00 54.97 53.18 1fie s GLU 124 Cb 0.08 -0.23 0.09 0.00 2.00 0.00 0.00 34.13 36.07 1fie s GLU 124 CO 0.78 -0.11 0.57 -0.51 -0.56 0.00 0.00 175.26 175.44 1fie s LEU 125 N -3.13 5.46 -0.06 2.70 1.43 -1.26 -4.92 118.68 118.89 1fie s LEU 125 Ca 0.21 -1.31 -0.30 0.00 -1.03 0.00 0.00 54.13 51.70 1fie s LEU 125 Cb 0.06 -2.30 -0.04 0.00 0.03 0.00 0.00 46.19 43.94 1fie s LEU 125 CO 0.02 -0.89 1.38 0.00 0.23 0.00 0.00 176.35 177.08 1fie s GLN 126 N 2.23 4.26 0.42 1.70 -2.07 -1.26 -4.96 119.66 119.98 1fie s GLN 126 Ca 0.09 1.87 -0.24 0.00 -1.82 0.00 0.00 55.36 55.27 1fie s GLN 126 Cb -0.24 -3.70 -0.11 0.00 -1.09 0.00 0.00 33.01 27.88 1fie s GLN 126 CO 0.07 -0.64 1.01 0.43 -1.32 0.00 0.00 175.29 174.85 1fie n SER 127 N 6.01 1.28 -0.00 12.60 7.64 -1.26 -2.48 113.62 137.40 1fie n SER 127 Ca 0.14 1.04 -0.00 0.00 1.01 0.00 0.00 58.87 61.05 1fie n SER 127 Cb 0.44 -1.35 -0.00 0.00 -1.01 0.00 0.00 64.21 62.29 1fie n SER 127 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1fie n GLY 128 N 1.18 0.31 2.92 0.23 0.00 -1.26 -4.99 105.19 103.58 1fie n GLY 128 Ca 0.09 -0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.99 1fie n GLY 128 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1fie s LYS 129 N -0.77 0.06 0.50 1.61 2.47 -1.04 -4.61 119.74 117.96 1fie s LYS 129 Ca 0.00 0.08 -0.23 0.00 -1.56 0.00 0.00 55.97 54.26 1fie s LYS 129 Cb 0.00 0.02 -0.07 0.00 -1.46 0.00 0.00 37.83 36.32 1fie s LYS 129 CO 0.00 -0.02 1.30 0.91 0.16 0.00 0.00 175.35 177.70 1fie n TRP 130 N 3.11 2.14 -3.63 4.03 7.02 -1.26 -4.61 117.44 124.23 1fie n TRP 130 Ca -0.13 0.45 -0.03 0.00 -1.02 0.00 0.00 57.50 56.77 1fie n TRP 130 Cb 0.59 -2.36 -0.04 0.00 -2.42 0.00 0.00 31.31 27.08 1fie n TRP 130 CO 0.00 0.00 0.00 0.20 -2.02 0.00 0.00 177.69 175.87 1fie s GLY 131 N -0.77 0.06 0.16 6.99 0.00 -0.97 -4.78 107.32 108.02 1fie s GLY 131 Ca 0.67 2.78 0.09 0.00 0.00 0.00 0.00 44.72 48.25 1fie s GLY 131 CO 0.53 1.16 -0.10 0.00 0.00 0.00 0.00 173.10 174.69 1fie s ALA 132 N -0.94 2.94 -0.06 3.20 0.00 -0.12 -0.80 121.76 125.97 1fie s ALA 132 Ca 0.07 -1.42 -0.03 0.00 0.00 0.00 0.00 51.96 50.58 1fie s ALA 132 Cb -0.01 -0.76 0.04 0.00 0.00 0.00 0.00 23.12 22.38 1fie s ALA 132 CO -0.07 0.50 0.14 0.21 0.00 0.00 0.00 175.76 176.54 1fie s LYS 133 N -2.69 0.07 -0.60 0.00 2.20 -1.11 0.26 119.74 117.88 1fie s LYS 133 Ca 0.24 0.39 -0.27 0.00 -0.36 0.00 0.00 55.97 55.96 1fie s LYS 133 Cb -0.09 -0.21 0.01 0.00 -1.51 0.00 0.00 37.83 36.03 1fie s LYS 133 CO 0.15 -0.19 1.52 0.42 -0.36 0.00 0.00 175.35 176.88 1fie s ILE 134 N 1.36 3.65 0.14 5.43 1.09 -1.26 -1.46 121.20 130.15 1fie s ILE 134 Ca -0.07 0.49 0.08 0.00 -1.10 0.00 0.00 60.65 60.05 1fie s ILE 134 Cb -0.12 -4.38 -0.18 0.00 -1.06 0.00 0.00 42.46 36.73 1fie s ILE 134 CO -0.06 -1.21 1.33 0.58 -0.10 0.00 0.00 174.94 175.48 1fie h VAL 135 N 6.45 1.67 -1.65 2.92 2.07 0.67 -3.48 116.25 124.91 1fie h VAL 135 Ca -0.27 -3.23 0.05 0.00 0.82 0.00 0.00 66.70 64.07 1fie h VAL 135 Cb 1.10 2.74 -0.23 0.00 -1.52 0.00 0.00 31.29 33.39 1fie h VAL 135 CO 1.20 0.92 0.46 -0.32 0.02 0.00 0.00 177.57 179.86 1fie s MET 136 N -2.84 0.66 -0.01 1.57 1.75 -0.99 -4.98 119.30 114.45 1fie s MET 136 Ca 0.01 0.27 0.00 0.00 -1.25 0.00 0.00 55.69 54.72 1fie s MET 136 Cb 0.10 0.31 0.02 0.00 2.84 0.00 0.00 34.83 38.10 1fie s MET 136 CO 0.81 -0.18 0.01 -0.98 -0.65 0.00 0.00 175.02 174.03 1fie s ARG 137 N -0.82 0.07 -0.25 4.11 1.70 -1.26 0.15 118.95 122.64 1fie s ARG 137 Ca -0.02 0.09 -0.05 0.00 -0.47 0.00 0.00 55.73 55.28 1fie s ARG 137 Cb -0.01 -0.23 0.13 0.00 -0.57 0.00 0.00 34.95 34.27 1fie s ARG 137 CO 0.01 -0.10 0.50 -1.83 -1.08 0.00 0.00 175.30 172.80 1fie s GLU 138 N 0.68 0.44 -0.36 3.89 -1.05 -1.00 -5.01 118.70 116.28 1fie s GLU 138 Ca -0.06 0.97 -0.32 0.00 -0.15 0.00 0.00 54.97 55.42 1fie s GLU 138 Cb -0.09 0.27 0.05 0.00 -0.44 0.00 0.00 34.13 33.92 1fie s GLU 138 CO -0.02 -0.44 0.54 -3.47 0.95 0.00 0.00 175.26 172.82 1fie n ASP 139 N 5.40 -5.70 -0.13 0.83 2.03 -1.26 -2.86 116.55 114.87 1fie n ASP 139 Ca -0.06 -0.05 -0.02 0.00 0.52 0.00 0.00 54.79 55.18 1fie n ASP 139 Cb 0.50 -1.61 -0.01 0.00 -0.72 0.00 0.00 41.12 39.28 1fie n ASP 139 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1fie n ARG 140 N 0.11 -0.73 -3.59 -0.67 1.74 -1.26 -4.93 116.66 107.32 1fie n ARG 140 Ca -0.07 0.32 -0.26 0.00 -0.77 0.00 0.00 57.85 57.07 1fie n ARG 140 Cb 0.65 -3.96 -0.17 0.00 -1.02 0.00 0.00 32.46 27.96 1fie n ARG 140 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 1fie s SER 141 N -2.20 2.48 0.06 0.55 0.01 -1.13 -0.79 113.70 112.68 1fie s SER 141 Ca 0.00 -0.70 -0.14 0.00 1.31 0.00 0.00 55.95 56.42 1fie s SER 141 Cb 0.00 -0.23 -0.06 0.00 0.21 0.00 0.00 66.02 65.94 1fie s SER 141 CO 0.00 -0.36 0.46 0.54 0.41 0.00 0.00 173.24 174.29 1fie s VAL 142 N 2.14 4.97 -0.21 3.43 0.11 -1.04 -2.38 120.40 127.43 1fie s VAL 142 Ca 0.03 0.78 -0.03 0.00 -2.93 0.00 0.00 61.98 59.84 1fie s VAL 142 Cb -0.16 -3.72 -0.01 0.00 -1.53 0.00 0.00 36.38 30.96 1fie s VAL 142 CO -0.13 0.42 -0.06 -0.60 -3.33 0.00 0.00 175.10 171.40 1fie s ARG 143 N -1.50 3.37 0.22 1.54 3.52 0.40 -2.34 118.95 124.15 1fie s ARG 143 Ca 0.30 -0.64 0.06 0.00 -0.13 0.00 0.00 55.73 55.33 1fie s ARG 143 Cb -0.16 -2.94 -0.04 0.00 -1.56 0.00 0.00 34.95 30.25 1fie s ARG 143 CO 0.17 -0.14 0.17 -0.51 -0.81 0.00 0.00 175.30 174.18 1fie s LEU 144 N 1.31 3.81 -0.45 -0.88 1.43 0.49 0.12 118.68 124.51 1fie s LEU 144 Ca 0.04 -0.20 0.02 0.00 -1.03 0.00 0.00 54.13 52.96 1fie s LEU 144 Cb -0.14 -2.37 0.13 0.00 0.03 0.00 0.00 46.19 43.84 1fie s LEU 144 CO -0.03 0.01 0.24 -0.55 0.23 0.00 0.00 176.35 176.25 1fie s SER 145 N -3.53 3.76 0.31 2.29 0.15 -0.54 -2.38 113.70 113.76 1fie s SER 145 Ca 0.32 -2.67 -0.22 0.00 0.70 0.00 0.00 55.95 54.07 1fie s SER 145 Cb -0.09 -1.13 -0.09 0.00 -1.71 0.00 0.00 66.02 63.00 1fie s SER 145 CO 0.24 -0.26 0.86 -0.63 1.20 0.00 0.00 173.24 174.65 1fie s ILE 146 N 0.27 4.39 0.04 6.45 1.01 0.39 -2.75 121.20 131.00 1fie s ILE 146 Ca 0.17 1.53 0.06 0.00 0.00 0.00 0.00 60.65 62.41 1fie s ILE 146 Cb -0.25 -3.86 -0.02 0.00 0.01 0.00 0.00 42.46 38.34 1fie s ILE 146 CO 0.00 0.06 -0.17 -1.58 0.00 0.00 0.00 174.94 173.25 1fie s GLN 147 N -2.30 1.13 0.26 2.79 0.74 0.02 -1.18 119.66 121.12 1fie s GLN 147 Ca 0.50 -0.81 0.10 0.00 0.05 0.00 0.00 55.36 55.21 1fie s GLN 147 Cb -0.16 -1.18 -0.05 0.00 1.10 0.00 0.00 33.01 32.73 1fie s GLN 147 CO 0.21 0.30 -0.08 -1.54 -0.55 0.00 0.00 175.29 173.62 1fie s SER 148 N -1.09 4.19 0.41 6.67 1.04 -1.26 -2.29 113.70 121.38 1fie s SER 148 Ca 0.04 -0.77 -0.24 0.00 0.48 0.00 0.00 55.95 55.46 1fie s SER 148 Cb -0.08 -0.65 -0.09 0.00 0.10 0.00 0.00 66.02 65.31 1fie s SER 148 CO 0.01 0.02 1.08 -0.55 0.98 0.00 0.00 173.24 174.78 1fie s SER 149 N -3.54 6.61 0.00 7.02 0.15 -1.26 -2.94 113.70 119.74 1fie s SER 149 Ca 0.30 2.10 0.12 0.00 0.70 0.00 0.00 55.95 59.17 1fie s SER 149 Cb -0.06 -2.59 0.57 0.00 -1.71 0.00 0.00 66.02 62.23 1fie s SER 149 CO 0.18 -0.60 1.33 -2.65 1.20 0.00 0.00 173.24 172.70 1fie n PRO 150 N -0.19 0.11 -0.48 5.44 -0.02 -1.26 -2.23 135.00 136.36 1fie n PRO 150 Ca 0.06 0.22 0.08 0.00 -2.02 0.00 0.00 63.50 61.84 1fie n PRO 150 Cb 0.49 -1.50 0.27 0.00 -0.02 0.00 0.00 33.50 32.74 1fie n PRO 150 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1fie n LYS 151 N -1.37 3.10 -1.91 -0.52 5.02 -1.26 -4.67 118.16 116.55 1fie n LYS 151 Ca 0.05 -2.86 -0.36 0.00 -2.02 0.00 0.00 58.31 53.11 1fie n LYS 151 Cb 0.11 -1.88 0.05 0.00 -0.02 0.00 0.00 35.03 33.29 1fie n LYS 151 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1fie s ILE 153 N -1.58 2.89 -0.24 0.00 1.01 -1.26 -4.33 121.20 117.69 1fie s ILE 153 Ca 0.78 0.76 -0.22 0.00 0.00 0.00 0.00 60.65 61.97 1fie s ILE 153 Cb -0.32 -3.48 -0.01 0.00 0.01 0.00 0.00 42.46 38.65 1fie s ILE 153 CO 0.36 0.12 0.72 -0.69 0.00 0.00 0.00 174.94 175.45 1fie s VAL 154 N -0.09 4.92 0.00 2.92 1.01 -1.22 -4.85 120.40 123.09 1fie s VAL 154 Ca 0.57 1.35 0.00 0.00 0.00 0.00 0.00 61.98 63.90 1fie s VAL 154 Cb -0.39 -4.02 0.00 0.00 0.00 0.00 0.00 36.38 31.96 1fie s VAL 154 CO 0.42 -0.00 0.00 0.61 0.00 0.00 0.00 175.10 176.13 1fie n GLY 155 N 3.91 0.62 3.23 4.51 0.00 -1.01 -4.78 105.19 111.67 1fie n GLY 155 Ca 0.02 -0.64 -0.38 0.00 0.00 0.00 0.00 46.02 45.02 1fie n GLY 155 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1fie s LYS 156 N 0.24 2.48 0.15 1.61 2.20 -1.26 -1.07 119.74 124.08 1fie s LYS 156 Ca 0.00 -1.39 -0.08 0.00 -0.36 0.00 0.00 55.97 54.13 1fie s LYS 156 Cb 0.00 -3.55 -0.06 0.00 -1.51 0.00 0.00 37.83 32.71 1fie s LYS 156 CO 0.00 -0.82 0.45 -0.06 -0.36 0.00 0.00 175.35 174.55 1fie s PHE 157 N 1.34 3.50 0.18 4.03 0.40 0.14 -4.83 117.98 122.75 1fie s PHE 157 Ca 0.01 0.76 -0.12 0.00 -0.60 0.00 0.00 56.93 56.98 1fie s PHE 157 Cb -0.21 -2.15 -0.07 0.00 0.51 0.00 0.00 43.02 41.09 1fie s PHE 157 CO 0.01 0.41 0.55 1.03 0.70 0.00 0.00 175.22 177.92 1fie s ARG 158 N -2.42 3.89 -0.02 0.44 0.52 -0.22 -1.27 118.95 119.88 1fie s ARG 158 Ca 0.40 0.38 0.03 0.00 -0.52 0.00 0.00 55.73 56.03 1fie s ARG 158 Cb -0.13 -2.80 -0.03 0.00 0.52 0.00 0.00 34.95 32.52 1fie s ARG 158 CO 0.21 0.40 -0.10 1.41 0.02 0.00 0.00 175.30 177.24 1fie s MET 159 N -2.36 2.50 0.02 3.54 -2.45 -1.26 -2.21 119.30 117.09 1fie s MET 159 Ca 0.42 -0.72 -0.10 0.00 -1.25 0.00 0.00 55.69 54.04 1fie s MET 159 Cb -0.13 -2.44 0.01 0.00 1.25 0.00 0.00 34.83 33.52 1fie s MET 159 CO 0.20 0.61 0.21 0.71 1.05 0.00 0.00 175.02 177.79 1fie s TYR 160 N -0.89 0.00 -0.16 4.11 2.02 -0.17 -4.71 117.35 117.56 1fie s TYR 160 Ca 0.15 -0.14 0.01 0.00 -0.37 0.00 0.00 57.07 56.71 1fie s TYR 160 Cb -0.11 -0.01 0.00 0.00 -0.40 0.00 0.00 41.96 41.45 1fie s TYR 160 CO 0.04 -0.39 -0.16 0.08 -1.57 0.00 0.00 175.55 173.55 1fie s VAL 161 N -2.06 2.53 -0.03 0.71 1.01 -1.26 0.48 120.40 121.78 1fie s VAL 161 Ca -0.09 -0.81 0.07 0.00 0.00 0.00 0.00 61.98 61.15 1fie s VAL 161 Cb -0.03 -2.06 -0.02 0.00 0.00 0.00 0.00 36.38 34.26 1fie s VAL 161 CO -0.01 0.52 -0.24 0.00 0.00 0.00 0.00 175.10 175.37 1fie s ALA 162 N 0.88 2.23 -0.18 5.51 0.00 -0.09 -2.64 121.76 127.45 1fie s ALA 162 Ca -0.04 -1.08 0.00 0.00 0.00 0.00 0.00 51.96 50.83 1fie s ALA 162 Cb -0.15 -0.64 0.01 0.00 0.00 0.00 0.00 23.12 22.35 1fie s ALA 162 CO -0.01 0.50 -0.17 0.08 0.00 0.00 0.00 175.76 176.15 1fie s VAL 163 N -0.51 2.31 -1.02 0.00 1.01 0.86 -1.18 120.40 121.86 1fie s VAL 163 Ca 0.07 -0.86 -0.18 0.00 0.00 0.00 0.00 61.98 61.01 1fie s VAL 163 Cb -0.11 -1.98 0.13 0.00 0.00 0.00 0.00 36.38 34.42 1fie s VAL 163 CO 0.00 0.52 1.27 0.26 0.00 0.00 0.00 175.10 177.15 1fie s TRP 164 N 1.25 3.14 0.74 5.22 0.52 -0.99 -0.13 118.94 128.68 1fie s TRP 164 Ca 0.04 -1.53 -0.12 0.00 0.02 0.00 0.00 56.10 54.51 1fie s TRP 164 Cb -0.14 -4.36 0.04 0.00 -1.15 0.00 0.00 33.47 27.87 1fie s TRP 164 CO -0.10 -1.53 1.12 0.95 0.02 0.00 0.00 176.95 177.42 1fie s THR 165 N 2.73 2.94 -0.81 2.01 -4.23 -0.25 -4.77 115.64 113.25 1fie s THR 165 Ca 0.38 0.29 0.00 0.00 -1.18 0.00 0.00 61.69 61.18 1fie s THR 165 Cb -0.03 -3.30 0.00 0.00 1.34 0.00 0.00 72.50 70.51 1fie s THR 165 CO -0.06 -0.39 0.32 -2.65 -0.54 0.00 0.00 174.62 171.29 1fie n PRO 166 N -3.11 0.53 0.09 3.99 -0.02 -1.26 -3.41 135.00 131.81 1fie n PRO 166 Ca 0.07 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.55 1fie n PRO 166 Cb 0.59 -1.26 0.00 0.00 -0.02 0.00 0.00 33.50 32.80 1fie n PRO 166 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1fie n TYR 167 N 0.33 -1.64 -2.64 6.00 4.01 -1.26 -5.16 117.16 116.79 1fie n TYR 167 Ca 0.00 0.30 0.00 0.00 -0.16 0.00 0.00 57.90 58.04 1fie n TYR 167 Cb 0.16 0.61 0.00 0.00 -0.31 0.00 0.00 39.34 39.79 1fie n TYR 167 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1fie n GLY 168 N 1.44 4.51 3.25 2.72 0.00 -1.22 -5.16 105.19 110.73 1fie n GLY 168 Ca 0.00 -1.20 -0.32 0.00 0.00 0.00 0.00 46.02 44.50 1fie n GLY 168 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1fie s VAL 169 N -1.54 2.17 -0.23 1.61 0.11 -1.26 -1.09 120.40 120.16 1fie s VAL 169 Ca 0.00 -1.00 -0.13 0.00 -2.93 0.00 0.00 61.98 57.93 1fie s VAL 169 Cb 0.00 -1.82 -0.05 0.00 -1.53 0.00 0.00 36.38 32.99 1fie s VAL 169 CO 0.00 0.56 0.25 -0.76 -3.33 0.00 0.00 175.10 171.82 1fie s LEU 170 N 0.16 4.12 0.30 2.54 1.43 0.81 -4.07 118.68 123.97 1fie s LEU 170 Ca -0.13 0.25 0.08 0.00 -1.03 0.00 0.00 54.13 53.30 1fie s LEU 170 Cb -0.16 -2.26 -0.06 0.00 0.03 0.00 0.00 46.19 43.74 1fie s LEU 170 CO 0.07 0.00 -0.09 -0.60 0.23 0.00 0.00 176.35 175.96 1fie s ARG 171 N 1.22 1.64 0.72 1.70 3.52 -0.03 -0.10 118.95 127.62 1fie s ARG 171 Ca 0.12 -1.82 -0.11 0.00 -0.13 0.00 0.00 55.73 53.78 1fie s ARG 171 Cb -0.14 -1.41 0.03 0.00 -1.56 0.00 0.00 34.95 31.87 1fie s ARG 171 CO 0.06 0.11 1.10 0.99 -0.81 0.00 0.00 175.30 176.75 1fie s THR 172 N -2.82 3.42 0.74 4.11 2.01 -1.08 -4.61 115.64 117.41 1fie s THR 172 Ca 0.30 0.46 -0.06 0.00 0.31 0.00 0.00 61.69 62.70 1fie s THR 172 Cb 0.02 -3.40 0.11 0.00 0.01 0.00 0.00 72.50 69.24 1fie s THR 172 CO 0.13 -0.60 1.04 -0.55 -0.69 0.00 0.00 174.62 173.95 1fie s SER 173 N -4.25 4.39 0.01 3.53 0.15 -1.26 -4.67 113.70 111.60 1fie s SER 173 Ca 0.59 0.11 -0.30 0.00 0.70 0.00 0.00 55.95 57.04 1fie s SER 173 Cb -0.12 -0.58 -0.06 0.00 -1.71 0.00 0.00 66.02 63.55 1fie s SER 173 CO 0.52 -1.85 1.50 -0.60 1.20 0.00 0.00 173.24 174.02 1fie s ARG 174 N -5.28 4.24 -0.36 5.44 6.06 -1.26 -4.98 118.95 122.81 1fie s ARG 174 Ca 0.64 2.10 0.01 0.00 -2.50 0.00 0.00 55.73 55.98 1fie s ARG 174 Cb -0.08 -3.63 0.12 0.00 0.06 0.00 0.00 34.95 31.42 1fie s ARG 174 CO 0.45 -0.66 0.15 1.21 -2.50 0.00 0.00 175.30 173.96 1fie s ASN 175 N 2.21 3.89 0.24 -2.12 2.47 -1.26 -5.02 114.94 115.36 1fie s ASN 175 Ca 0.68 -2.08 -0.04 0.00 0.42 0.00 0.00 52.86 51.83 1fie s ASN 175 Cb -0.34 -0.96 0.46 0.00 -1.45 0.00 0.00 41.25 38.96 1fie s ASN 175 CO 0.28 -0.35 1.71 -0.65 -3.72 0.00 0.00 177.10 174.37 1fie h PRO 176 N 7.48 0.36 0.00 0.43 0.11 -1.97 -2.02 132.00 136.39 1fie h PRO 176 Ca -0.07 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.02 1fie h PRO 176 Cb 0.98 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.01 1fie h PRO 176 CO 0.47 0.24 0.00 0.39 -0.21 0.00 0.00 178.00 178.89 1fie n GLU 177 N -5.06 0.02 -0.16 1.05 -0.58 -1.26 -1.71 120.64 112.94 1fie n GLU 177 Ca 0.14 0.35 0.10 0.00 -0.42 0.00 0.00 57.16 57.33 1fie n GLU 177 Cb 0.44 -1.50 0.18 0.00 -0.57 0.00 0.00 31.44 29.99 1fie n GLU 177 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 1fie n THR 178 N -1.39 0.52 -1.68 2.62 -2.24 -0.76 -4.81 114.28 106.55 1fie n THR 178 Ca 0.01 -0.76 -0.45 0.00 -2.27 0.00 0.00 64.05 60.59 1fie n THR 178 Cb 0.03 0.95 -0.03 0.00 -2.10 0.00 0.00 70.33 69.17 1fie n THR 178 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1fie n ASP 179 N 1.24 3.11 -4.40 3.42 8.00 -0.69 -4.41 116.55 122.81 1fie n ASP 179 Ca 0.16 1.11 -0.33 0.00 0.71 0.00 0.00 54.79 56.45 1fie n ASP 179 Cb 0.54 -1.45 -0.14 0.00 -0.02 0.00 0.00 41.12 40.04 1fie n ASP 179 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1fie s THR 180 N 0.48 2.89 -0.22 -3.53 2.01 -0.40 -3.78 115.64 113.08 1fie s THR 180 Ca 0.73 -0.76 -0.12 0.00 0.31 0.00 0.00 61.69 61.85 1fie s THR 180 Cb -0.64 -2.15 -0.05 0.00 0.01 0.00 0.00 72.50 69.68 1fie s THR 180 CO 0.43 0.56 0.24 -0.31 -0.69 0.00 0.00 174.62 174.85 1fie s TYR 181 N -0.25 3.35 -0.21 4.92 2.02 -0.73 0.24 117.35 126.69 1fie s TYR 181 Ca 0.01 0.38 -0.01 0.00 -0.37 0.00 0.00 57.07 57.07 1fie s TYR 181 Cb -0.13 -2.34 0.01 0.00 -0.40 0.00 0.00 41.96 39.10 1fie s TYR 181 CO 0.03 0.08 -0.12 0.42 -1.57 0.00 0.00 175.55 174.39 1fie s ILE 182 N 1.02 2.68 0.48 2.71 1.01 -0.23 -0.33 121.20 128.53 1fie s ILE 182 Ca 0.12 -0.80 0.05 0.00 0.00 0.00 0.00 60.65 60.02 1fie s ILE 182 Cb -0.14 -2.21 -0.01 0.00 0.01 0.00 0.00 42.46 40.11 1fie s ILE 182 CO 0.05 0.43 0.20 -0.76 0.00 0.00 0.00 174.94 174.86 1fie s LEU 183 N 1.36 2.74 0.38 2.97 1.43 -0.39 -2.41 118.68 124.77 1fie s LEU 183 Ca 0.04 -1.30 -0.27 0.00 -1.03 0.00 0.00 54.13 51.57 1fie s LEU 183 Cb -0.14 -1.14 -0.09 0.00 0.03 0.00 0.00 46.19 44.85 1fie s LEU 183 CO -0.08 -0.81 1.27 -0.36 0.23 0.00 0.00 176.35 176.60 1fie s PHE 184 N -2.74 2.95 -0.46 0.29 0.08 -0.58 -0.96 117.98 116.55 1fie s PHE 184 Ca 0.29 1.45 0.03 0.00 0.12 0.00 0.00 56.93 58.82 1fie s PHE 184 Cb 0.01 -3.60 0.12 0.00 -0.57 0.00 0.00 43.02 38.99 1fie s PHE 184 CO 0.16 -1.83 0.21 1.21 -0.10 0.00 0.00 175.22 174.87 1fie s ASN 185 N -0.77 4.22 0.28 1.36 3.84 -1.26 -4.60 114.94 118.01 1fie s ASN 185 Ca 0.55 -2.70 0.23 0.00 0.21 0.00 0.00 52.86 51.14 1fie s ASN 185 Cb -0.37 -1.46 1.04 0.00 -0.55 0.00 0.00 41.25 39.92 1fie s ASN 185 CO 0.47 -0.28 1.68 -2.65 -2.79 0.00 0.00 177.10 173.54 1fie n PRO 186 N 3.50 0.17 0.10 0.43 -0.02 -1.26 -1.91 135.00 136.02 1fie n PRO 186 Ca 0.05 0.50 0.12 0.00 -2.02 0.00 0.00 63.50 62.16 1fie n PRO 186 Cb 0.35 -1.90 0.26 0.00 -0.02 0.00 0.00 33.50 32.19 1fie n PRO 186 CO 0.00 0.00 0.00 -1.49 1.98 0.00 0.00 175.50 175.99 1fie h TRP 187 N 0.00 0.00 -3.56 6.00 6.55 -1.85 0.17 115.95 123.25 1fie h TRP 187 Ca 0.00 0.00 -0.62 0.00 0.95 0.00 0.00 58.89 59.22 1fie h TRP 187 Cb 0.23 0.00 -0.13 0.00 -0.86 0.00 0.00 29.16 28.40 1fie h TRP 187 CO 0.00 0.00 0.05 0.00 -1.05 0.00 0.00 178.44 177.44 1fie n GLU 189 N 5.69 0.10 0.00 0.00 2.13 -1.26 -1.38 120.64 125.92 1fie n GLU 189 Ca -0.03 0.58 0.07 0.00 0.66 0.00 0.00 57.16 58.45 1fie n GLU 189 Cb 0.49 -2.01 0.02 0.00 0.27 0.00 0.00 31.44 30.22 1fie n GLU 189 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1fie n ASP 190 N -2.08 1.83 -4.83 4.31 8.00 -1.26 -4.97 116.55 117.55 1fie n ASP 190 Ca -0.01 -1.41 -0.34 0.00 0.71 0.00 0.00 54.79 53.73 1fie n ASP 190 Cb 0.20 0.29 -0.06 0.00 -0.02 0.00 0.00 41.12 41.53 1fie n ASP 190 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1fie s ASP 191 N -1.59 6.90 0.36 -2.24 -1.08 -0.48 -4.87 116.67 113.67 1fie s ASP 191 Ca 0.14 1.32 0.05 0.00 -0.52 0.00 0.00 52.55 53.54 1fie s ASP 191 Cb 0.12 -2.38 0.68 0.00 -1.46 0.00 0.00 42.92 39.88 1fie s ASP 191 CO 0.30 -0.07 1.94 0.00 0.52 0.00 0.00 175.17 177.86 1fie h ALA 192 N 2.88 1.48 0.00 3.66 0.00 -1.87 -2.49 119.26 122.92 1fie h ALA 192 Ca -0.48 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.29 1fie h ALA 192 Cb 1.18 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.82 1fie h ALA 192 CO 0.65 0.39 0.00 0.28 0.00 0.00 0.00 179.25 180.57 1fie n VAL 193 N -4.34 0.00 -2.25 0.00 0.31 -1.26 -2.80 118.33 107.98 1fie n VAL 193 Ca 0.02 0.00 -0.42 0.00 -0.01 0.00 0.00 64.34 63.93 1fie n VAL 193 Cb 0.18 -0.27 -0.03 0.00 -0.91 0.00 0.00 33.84 32.82 1fie n VAL 193 CO 0.00 0.00 0.00 -0.47 -1.32 0.00 0.00 176.83 175.04 1fie s TYR 194 N -1.45 2.67 -0.28 3.52 5.04 -0.94 -4.08 117.35 121.82 1fie s TYR 194 Ca 0.00 0.75 -0.05 0.00 -2.44 0.00 0.00 57.07 55.34 1fie s TYR 194 Cb 0.00 -3.66 0.02 0.00 0.35 0.00 0.00 41.96 38.67 1fie s TYR 194 CO 0.00 -2.48 0.03 -0.51 -1.34 0.00 0.00 175.55 171.25 1fie s LEU 195 N 3.10 3.66 0.00 6.97 1.43 0.59 -4.99 118.68 129.45 1fie s LEU 195 Ca 0.63 -0.82 0.00 0.00 -1.03 0.00 0.00 54.13 52.91 1fie s LEU 195 Cb -0.28 -1.80 0.00 0.00 0.03 0.00 0.00 46.19 44.14 1fie s LEU 195 CO 0.23 -0.18 0.33 -0.67 0.23 0.00 0.00 176.35 176.30 1fie n ASP 196 N 4.79 0.45 -3.68 2.29 2.03 -1.26 -4.70 116.55 116.47 1fie n ASP 196 Ca -0.15 -1.12 -0.11 0.00 0.52 0.00 0.00 54.79 53.93 1fie n ASP 196 Cb 0.47 -0.23 -0.12 0.00 -0.72 0.00 0.00 41.12 40.53 1fie n ASP 196 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 1fie s ASN 197 N -0.63 -0.14 0.20 1.67 3.84 -1.26 -5.04 114.94 113.57 1fie s ASN 197 Ca 0.00 0.77 -0.10 0.00 0.21 0.00 0.00 52.86 53.73 1fie s ASN 197 Cb 0.00 0.84 0.13 0.00 -0.55 0.00 0.00 41.25 41.67 1fie s ASN 197 CO 0.00 -0.21 1.82 -0.08 -2.79 0.00 0.00 177.10 175.83 1fie h GLU 198 N 7.77 0.99 -0.94 0.43 4.57 -1.98 0.90 114.58 126.31 1fie h GLU 198 Ca -0.25 -0.12 0.04 0.00 -1.18 0.00 0.00 59.36 57.85 1fie h GLU 198 Cb 1.14 -0.20 -0.06 0.00 -0.16 0.00 0.00 28.75 29.48 1fie h GLU 198 CO 0.21 0.74 0.61 0.87 -1.18 0.00 0.00 179.01 180.27 1fie h LYS 199 N 0.98 1.14 -0.15 1.92 1.57 -1.98 0.51 116.57 120.56 1fie h LYS 199 Ca 0.25 -0.07 -0.11 0.00 -1.87 0.00 0.00 60.65 58.86 1fie h LYS 199 Cb 0.04 -0.26 0.00 0.00 0.08 0.00 0.00 32.23 32.09 1fie h LYS 199 CO -0.04 0.76 -0.32 0.93 -0.57 0.00 0.00 179.45 180.20 1fie h GLU 200 N 1.18 0.49 0.00 3.15 5.08 -1.84 -1.88 114.58 120.76 1fie h GLU 200 Ca 0.38 -0.32 -0.03 0.00 -1.00 0.00 0.00 59.36 58.39 1fie h GLU 200 Cb 0.03 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.31 1fie h GLU 200 CO -0.13 0.93 -0.12 0.00 -1.00 0.00 0.00 179.01 178.69 1fie h ARG 201 N 0.11 0.00 0.49 2.33 3.08 -0.11 0.49 114.38 120.78 1fie h ARG 201 Ca 0.00 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 1fie h ARG 201 Cb 0.92 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.97 1fie h ARG 201 CO 0.07 0.12 -0.24 0.93 -1.07 0.00 0.00 179.97 179.79 1fie h GLU 202 N 0.00 -0.64 0.81 0.04 4.39 0.24 -2.59 114.58 116.84 1fie h GLU 202 Ca -0.00 0.04 -0.04 0.00 0.34 0.00 0.00 59.36 59.70 1fie h GLU 202 Cb 0.26 0.14 0.01 0.00 -0.10 0.00 0.00 28.75 29.06 1fie h GLU 202 CO 0.02 -0.35 -0.39 1.49 -1.16 0.00 0.00 179.01 178.61 1fie h GLU 203 N -1.08 -1.05 0.00 2.33 4.57 -1.00 -0.23 114.58 118.11 1fie h GLU 203 Ca -0.07 0.07 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1fie h GLU 203 Cb 0.58 0.24 0.00 0.00 -0.16 0.00 0.00 28.75 29.41 1fie h GLU 203 CO 0.11 -0.69 0.00 0.66 -1.18 0.00 0.00 179.01 177.91 1fie n TYR 204 N -5.52 0.00 0.00 0.92 4.01 0.17 -3.16 117.16 113.58 1fie n TYR 204 Ca -0.14 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.60 1fie n TYR 204 Cb 0.44 -0.49 0.00 0.00 -0.31 0.00 0.00 39.34 38.98 1fie n TYR 204 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 1fie n VAL 205 N -1.49 0.00 0.08 -0.72 0.31 -0.99 -2.48 118.33 113.03 1fie n VAL 205 Ca 0.02 0.00 -0.06 0.00 -0.01 0.00 0.00 64.34 64.29 1fie n VAL 205 Cb 0.11 -0.54 -0.04 0.00 -0.91 0.00 0.00 33.84 32.46 1fie n VAL 205 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1fie h LEU 206 N 0.00 0.04 -9.35 7.52 4.07 -1.06 -3.45 115.31 113.07 1fie h LEU 206 Ca 0.00 -0.04 -0.54 0.00 0.08 0.00 0.00 57.88 57.38 1fie h LEU 206 Cb 0.26 -0.01 -0.00 0.00 1.08 0.00 0.00 40.66 41.99 1fie h LEU 206 CO 0.00 0.92 0.89 0.21 -1.08 0.00 0.00 178.44 179.38 1fie s ASN 207 N -6.78 6.80 0.00 -0.43 3.84 -0.23 -4.90 114.94 113.25 1fie s ASN 207 Ca -0.00 2.15 0.12 0.00 0.21 0.00 0.00 52.86 55.34 1fie s ASN 207 Cb 0.11 -2.56 0.33 0.00 -0.55 0.00 0.00 41.25 38.58 1fie s ASN 207 CO 0.81 -0.77 1.27 -0.90 -2.79 0.00 0.00 177.10 174.72 1fie n ASP 208 N 5.70 3.00 -4.05 -4.21 5.75 -1.26 -4.92 116.55 116.56 1fie n ASP 208 Ca 0.14 -1.98 -0.23 0.00 -0.01 0.00 0.00 54.79 52.71 1fie n ASP 208 Cb 0.43 -0.25 -0.16 0.00 -1.03 0.00 0.00 41.12 40.11 1fie n ASP 208 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 1fie s ILE 209 N -1.00 1.06 0.25 2.12 1.01 -1.26 -0.25 121.20 123.13 1fie s ILE 209 Ca 0.25 -0.51 0.01 0.00 0.00 0.00 0.00 60.65 60.41 1fie s ILE 209 Cb 0.13 -0.92 -0.03 0.00 0.01 0.00 0.00 42.46 41.65 1fie s ILE 209 CO 0.18 0.32 0.21 -0.83 0.00 0.00 0.00 174.94 174.81 1fie s GLY 210 N 0.15 1.73 -0.08 6.18 0.00 0.60 -4.89 107.32 111.01 1fie s GLY 210 Ca -0.04 -1.80 0.03 0.00 0.00 0.00 0.00 44.72 42.92 1fie s GLY 210 CO 0.01 -1.38 -0.19 -1.34 0.00 0.00 0.00 173.10 170.20 1fie s VAL 211 N -3.86 1.66 -0.06 1.40 -7.23 -1.26 -0.31 120.40 110.73 1fie s VAL 211 Ca 0.39 -0.80 -0.00 0.00 -1.81 0.00 0.00 61.98 59.76 1fie s VAL 211 Cb 0.05 -1.45 -0.03 0.00 0.56 0.00 0.00 36.38 35.50 1fie s VAL 211 CO 0.18 0.47 -0.02 -0.63 -0.31 0.00 0.00 175.10 174.79 1fie s ILE 212 N 0.41 4.12 -0.05 -0.62 1.01 -0.94 -4.55 121.20 120.58 1fie s ILE 212 Ca -0.15 -0.38 -0.01 0.00 0.00 0.00 0.00 60.65 60.11 1fie s ILE 212 Cb -0.16 -2.74 -0.03 0.00 0.01 0.00 0.00 42.46 39.53 1fie s ILE 212 CO 0.06 0.56 0.00 -0.36 0.00 0.00 0.00 174.94 175.20 1fie s PHE 213 N -0.91 3.13 0.00 3.97 0.40 -1.26 -2.81 117.98 120.50 1fie s PHE 213 Ca 0.14 0.15 0.00 0.00 -0.60 0.00 0.00 56.93 56.63 1fie s PHE 213 Cb -0.11 -1.75 0.00 0.00 0.51 0.00 0.00 43.02 41.67 1fie s PHE 213 CO 0.04 0.47 0.00 2.48 0.70 0.00 0.00 175.22 178.90 1fie n TYR 214 N 1.86 0.00 0.00 0.36 4.11 -0.17 -4.90 117.16 118.42 1fie n TYR 214 Ca -0.17 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.73 1fie n TYR 214 Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.87 1fie n TYR 214 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 1fie n GLY 215 N 0.00 1.13 3.36 -7.48 0.00 -1.26 -1.29 105.19 99.65 1fie n GLY 215 Ca 0.00 -0.84 -0.12 0.00 0.00 0.00 0.00 46.02 45.06 1fie n GLY 215 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1fie s GLU 216 N 0.00 1.10 0.18 1.61 4.04 -1.04 -4.50 118.70 120.10 1fie s GLU 216 Ca 0.00 -0.52 -0.06 0.00 0.04 0.00 0.00 54.97 54.43 1fie s GLU 216 Cb 0.00 0.50 0.29 0.00 0.02 0.00 0.00 34.13 34.93 1fie s GLU 216 CO 0.00 -0.44 1.03 0.28 -1.84 0.00 0.00 175.26 174.29 1fie n VAL 217 N -0.08 -0.28 1.07 1.83 0.31 -1.26 -0.10 118.33 119.81 1fie n VAL 217 Ca -0.17 1.51 0.13 0.00 -0.01 0.00 0.00 64.34 65.81 1fie n VAL 217 Cb 0.63 -2.09 0.49 0.00 -0.91 0.00 0.00 33.84 31.97 1fie n VAL 217 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1fie n ASN 218 N -5.06 0.24 -3.14 4.52 3.02 -1.26 -4.38 115.26 109.20 1fie n ASN 218 Ca 0.10 0.06 -0.20 0.00 -0.03 0.00 0.00 54.58 54.51 1fie n ASN 218 Cb 0.32 -0.17 -0.05 0.00 -0.61 0.00 0.00 39.78 39.27 1fie n ASN 218 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1fie n ASP 219 N -1.41 -0.95 -4.75 6.41 2.03 0.85 -5.12 116.55 113.60 1fie n ASP 219 Ca 0.08 -2.69 -0.41 0.00 0.52 0.00 0.00 54.79 52.28 1fie n ASP 219 Cb 0.33 0.04 -0.02 0.00 -0.72 0.00 0.00 41.12 40.74 1fie n ASP 219 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1fie s ILE 220 N -0.22 2.83 0.09 5.18 -1.09 -1.06 -2.50 121.20 124.42 1fie s ILE 220 Ca 0.33 0.75 0.10 0.00 -2.23 0.00 0.00 60.65 59.60 1fie s ILE 220 Cb 0.11 -3.48 -0.03 0.00 -1.58 0.00 0.00 42.46 37.48 1fie s ILE 220 CO -0.15 0.15 -0.26 -0.54 -1.23 0.00 0.00 174.94 172.90 1fie s LYS 221 N -0.96 1.55 0.25 2.79 3.01 -0.41 -4.96 119.74 121.01 1fie s LYS 221 Ca 0.54 -1.21 0.12 0.00 -1.01 0.00 0.00 55.97 54.41 1fie s LYS 221 Cb -0.39 -1.87 -0.05 0.00 -1.01 0.00 0.00 37.83 34.51 1fie s LYS 221 CO 0.46 0.46 -0.21 0.95 0.51 0.00 0.00 175.35 177.52 1fie s THR 222 N -0.94 2.44 0.09 2.17 -4.23 -1.26 -1.00 115.64 112.91 1fie s THR 222 Ca 0.12 -2.26 -0.25 0.00 -1.18 0.00 0.00 61.69 58.12 1fie s THR 222 Cb -0.10 -2.24 0.08 0.00 1.34 0.00 0.00 72.50 71.58 1fie s THR 222 CO 0.04 -0.29 0.68 -0.60 -0.54 0.00 0.00 174.62 173.91 1fie s ARG 223 N -3.19 1.14 0.04 3.99 3.00 -1.12 -5.00 118.95 117.81 1fie s ARG 223 Ca 0.26 -0.31 0.04 0.00 -1.00 0.00 0.00 55.73 54.72 1fie s ARG 223 Cb -0.06 0.53 -0.04 0.00 0.00 0.00 0.00 34.95 35.38 1fie s ARG 223 CO 0.13 -0.48 -0.03 -1.12 0.00 0.00 0.00 175.30 173.81 1fie s SER 224 N -2.42 4.89 -0.03 -2.12 0.01 -1.26 -2.21 113.70 110.55 1fie s SER 224 Ca -0.00 -0.14 0.04 0.00 1.31 0.00 0.00 55.95 57.16 1fie s SER 224 Cb -0.01 -1.17 -0.01 0.00 0.21 0.00 0.00 66.02 65.05 1fie s SER 224 CO -0.08 0.23 -0.16 0.86 0.41 0.00 0.00 173.24 174.49 1fie s TRP 225 N -1.16 1.58 -0.39 2.43 -0.11 0.58 -4.89 118.94 116.97 1fie s TRP 225 Ca 0.21 -0.41 -0.17 0.00 1.22 0.00 0.00 56.10 56.96 1fie s TRP 225 Cb -0.11 -1.06 0.01 0.00 -1.50 0.00 0.00 33.47 30.81 1fie s TRP 225 CO 0.13 -0.12 0.41 0.45 -4.62 0.00 0.00 176.95 173.20 1fie s SER 226 N -0.07 6.19 0.22 5.86 0.15 -1.15 -0.29 113.70 124.61 1fie s SER 226 Ca -0.01 -0.52 0.03 0.00 0.70 0.00 0.00 55.95 56.15 1fie s SER 226 Cb -0.10 -2.21 0.21 0.00 -1.71 0.00 0.00 66.02 62.21 1fie s SER 226 CO 0.01 -0.49 1.53 1.88 1.20 0.00 0.00 173.24 177.37 1fie h TYR 227 N 8.63 0.37 -4.58 3.44 0.05 -0.96 -2.02 116.97 121.90 1fie h TYR 227 Ca -0.28 -0.14 -0.24 0.00 0.05 0.00 0.00 58.73 58.12 1fie h TYR 227 Cb 1.12 -0.06 -0.04 0.00 1.01 0.00 0.00 36.73 38.76 1fie h TYR 227 CO 0.64 0.83 -0.33 0.41 -1.05 0.00 0.00 178.16 178.66 1fie n GLY 228 N 0.32 -0.49 0.33 3.88 0.00 -0.79 -4.48 105.19 103.95 1fie n GLY 228 Ca -0.03 0.03 0.22 0.00 0.00 0.00 0.00 46.02 46.24 1fie n GLY 228 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 1fie h GLN 229 N -0.29 0.00 -0.03 1.61 -0.00 -1.88 -2.16 115.11 112.36 1fie h GLN 229 Ca -0.28 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.37 1fie h GLN 229 Cb 1.20 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.68 1fie h GLN 229 CO 0.34 0.00 -0.02 1.19 -0.00 0.00 0.00 178.83 180.34 1fie n PHE 230 N -3.06 0.00 -0.88 0.06 3.72 -1.26 -4.41 117.46 111.62 1fie n PHE 230 Ca -0.03 0.00 -0.29 0.00 -0.05 0.00 0.00 57.45 57.08 1fie n PHE 230 Cb 0.08 0.00 0.19 0.00 -0.94 0.00 0.00 39.48 38.81 1fie n PHE 230 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 1fie s GLU 231 N -1.97 0.29 0.00 -1.08 0.41 -0.82 0.28 118.70 115.81 1fie s GLU 231 Ca 0.27 0.89 -0.30 0.00 -0.41 0.00 0.00 54.97 55.42 1fie s GLU 231 Cb 0.19 -1.69 -0.06 0.00 -1.78 0.00 0.00 34.13 30.79 1fie s GLU 231 CO 0.30 -2.92 1.46 0.34 -0.49 0.00 0.00 175.26 173.95 1fie s ASP 232 N -2.98 6.80 0.00 -0.19 2.15 -1.26 -3.24 116.67 117.94 1fie s ASP 232 Ca 0.66 2.17 0.00 0.00 0.43 0.00 0.00 52.55 55.81 1fie s ASP 232 Cb -0.21 -2.56 0.00 0.00 -0.30 0.00 0.00 42.92 39.85 1fie s ASP 232 CO 0.60 -0.77 0.00 0.61 -0.17 0.00 0.00 175.17 175.44 1fie n GLY 233 N 3.74 2.99 0.39 2.66 0.00 -1.26 -4.97 105.19 108.74 1fie n GLY 233 Ca 0.14 -0.12 -0.15 0.00 0.00 0.00 0.00 46.02 45.89 1fie n GLY 233 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1fie h ILE 234 N 0.00 0.24 -0.43 -0.61 1.08 -1.87 -1.77 117.51 114.15 1fie h ILE 234 Ca 0.00 0.00 0.12 0.00 -0.39 0.00 0.00 64.86 64.59 1fie h ILE 234 Cb 0.00 0.24 -0.02 0.00 -3.07 0.00 0.00 36.82 33.97 1fie h ILE 234 CO 0.00 0.00 0.33 0.25 -0.69 0.00 0.00 178.15 178.04 1fie h LEU 235 N -0.74 0.00 0.00 1.44 6.46 -1.80 0.25 115.31 120.93 1fie h LEU 235 Ca -0.02 0.00 -0.14 0.00 -0.12 0.00 0.00 57.88 57.60 1fie h LEU 235 Cb 0.68 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 40.59 1fie h LEU 235 CO -0.09 0.00 -0.69 0.44 -0.62 0.00 0.00 178.44 177.48 1fie h ASP 236 N 0.00 0.00 0.81 1.25 3.32 -1.80 -3.19 116.42 116.81 1fie h ASP 236 Ca 0.20 0.00 -0.20 0.00 0.02 0.00 0.00 57.03 57.05 1fie h ASP 236 Cb 0.86 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.39 1fie h ASP 236 CO -0.00 0.69 -0.95 0.71 -1.72 0.00 0.00 179.24 177.97 1fie h THR 237 N 0.00 1.60 -0.66 0.35 1.35 0.30 -2.31 112.91 113.55 1fie h THR 237 Ca -0.01 -3.02 0.02 0.00 -0.55 0.00 0.00 66.41 62.85 1fie h THR 237 Cb 1.53 2.67 -0.03 0.00 -1.73 0.00 0.00 68.15 70.59 1fie h THR 237 CO 0.09 0.87 0.43 0.00 -0.25 0.00 0.00 175.52 176.66 1fie h LEU 239 N 0.84 0.28 -0.54 0.00 3.38 -1.51 -2.94 115.31 114.83 1fie h LEU 239 Ca 0.25 -0.22 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 1fie h LEU 239 Cb -0.03 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 1fie h LEU 239 CO -0.06 1.00 0.19 0.22 0.09 0.00 0.00 178.44 179.88 1fie h TYR 240 N 0.13 0.84 -0.00 1.13 3.20 -0.52 -1.56 116.97 120.19 1fie h TYR 240 Ca -0.04 -0.07 0.03 0.00 3.14 0.00 0.00 58.73 61.78 1fie h TYR 240 Cb 1.44 -0.25 -0.04 0.00 1.54 0.00 0.00 36.73 39.43 1fie h TYR 240 CO 0.03 0.70 -0.19 0.28 -1.64 0.00 0.00 178.16 177.34 1fie h VAL 241 N 0.73 0.55 -0.81 1.81 2.07 -0.17 0.22 116.25 120.65 1fie h VAL 241 Ca 0.18 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.77 1fie h VAL 241 Cb 0.24 0.55 -0.06 0.00 -1.52 0.00 0.00 31.29 30.49 1fie h VAL 241 CO -0.01 0.00 0.49 0.24 0.02 0.00 0.00 177.57 178.30 1fie h MET 242 N -0.31 0.84 -0.14 1.57 2.86 -1.32 0.37 114.93 118.80 1fie h MET 242 Ca 0.06 -0.05 -0.06 0.00 -2.06 0.00 0.00 59.70 57.59 1fie h MET 242 Cb 0.38 -0.19 -0.01 0.00 0.06 0.00 0.00 31.60 31.84 1fie h MET 242 CO -0.18 0.55 -0.18 -0.44 1.06 0.00 0.00 176.91 177.72 1fie h ASP 243 N 0.86 0.23 -0.12 1.22 3.32 -0.68 -0.52 116.42 120.72 1fie h ASP 243 Ca 0.37 -0.05 -0.16 0.00 0.02 0.00 0.00 57.03 57.21 1fie h ASP 243 Cb 0.23 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.72 1fie h ASP 243 CO -0.20 0.43 -0.48 0.03 -1.72 0.00 0.00 179.24 177.30 1fie h ARG 244 N 0.22 0.68 0.00 3.56 2.47 0.22 -1.67 114.38 119.86 1fie h ARG 244 Ca 0.04 -0.40 0.00 0.00 -1.26 0.00 0.00 59.98 58.36 1fie h ARG 244 Cb 0.46 0.03 0.00 0.00 -1.65 0.00 0.00 29.97 28.81 1fie h ARG 244 CO 0.03 1.01 0.00 0.00 0.56 0.00 0.00 179.97 181.57 1fie n ALA 245 N -2.53 1.67 -3.21 0.04 0.00 0.10 -4.82 120.51 111.76 1fie n ALA 245 Ca -0.03 -0.05 -0.23 0.00 0.00 0.00 0.00 53.44 53.13 1fie n ALA 245 Cb 0.58 -1.21 0.02 0.00 0.00 0.00 0.00 19.45 18.84 1fie n ALA 245 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1fie n GLN 246 N -1.40 -4.55 -2.07 0.00 6.02 -0.33 -4.93 117.38 110.12 1fie n GLN 246 Ca 0.05 0.74 -0.41 0.00 -0.01 0.00 0.00 57.00 57.36 1fie n GLN 246 Cb 0.13 -5.56 -0.02 0.00 1.02 0.00 0.00 30.24 25.81 1fie n GLN 246 CO 0.00 0.00 0.00 1.41 -1.01 0.00 0.00 177.06 177.46 1fie s MET 247 N -5.89 4.31 0.21 -1.09 1.75 -0.77 -4.85 119.30 112.97 1fie s MET 247 Ca 0.37 2.24 -0.32 0.00 -1.25 0.00 0.00 55.69 56.73 1fie s MET 247 Cb -0.18 -3.12 -0.12 0.00 2.84 0.00 0.00 34.83 34.26 1fie s MET 247 CO 0.45 -0.34 1.68 0.34 -0.65 0.00 0.00 175.02 176.50 1fie s ASP 248 N 0.18 6.41 0.32 1.11 2.15 -1.26 -4.35 116.67 121.23 1fie s ASP 248 Ca 0.57 2.84 0.01 0.00 0.43 0.00 0.00 52.55 56.39 1fie s ASP 248 Cb -0.40 -2.60 0.55 0.00 -0.30 0.00 0.00 42.92 40.16 1fie s ASP 248 CO 0.44 -0.94 1.95 -0.07 -0.17 0.00 0.00 175.17 176.38 1fie h LEU 249 N 6.54 0.86 -2.90 -1.34 3.38 -1.48 -0.74 115.31 119.63 1fie h LEU 249 Ca -0.43 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.53 1fie h LEU 249 Cb 1.20 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.76 1fie h LEU 249 CO 0.93 0.59 0.00 0.28 0.09 0.00 0.00 178.44 180.33 1fie h SER 250 N 1.00 0.00 0.09 -0.43 0.02 -1.80 -1.90 113.55 110.53 1fie h SER 250 Ca 0.33 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.28 1fie h SER 250 Cb 0.07 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.61 1fie h SER 250 CO -0.10 0.00 -0.43 0.61 -1.14 0.00 0.00 176.83 175.77 1fie n GLY 251 N -1.05 -0.30 0.00 -3.77 0.00 -0.29 -4.41 105.19 95.37 1fie n GLY 251 Ca -0.03 -0.55 0.10 0.00 0.00 0.00 0.00 46.02 45.54 1fie n GLY 251 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1fie n ARG 252 N -0.38 0.45 -0.64 1.61 1.74 -0.71 -2.23 116.66 116.50 1fie n ARG 252 Ca 0.10 0.05 0.08 0.00 -0.77 0.00 0.00 57.85 57.31 1fie n ARG 252 Cb 0.41 -1.50 0.33 0.00 -1.02 0.00 0.00 32.46 30.69 1fie n ARG 252 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1fie n GLY 253 N 0.27 3.19 3.11 -0.13 0.00 -1.26 -3.43 105.19 106.94 1fie n GLY 253 Ca 0.12 -0.89 -0.34 0.00 0.00 0.00 0.00 46.02 44.91 1fie n GLY 253 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1fie s ASN 254 N -1.15 4.87 0.22 1.61 3.84 -0.95 -4.81 114.94 118.57 1fie s ASN 254 Ca 0.48 -1.66 -0.16 0.00 0.21 0.00 0.00 52.86 51.73 1fie s ASN 254 Cb 0.35 -1.69 0.23 0.00 -0.55 0.00 0.00 41.25 39.59 1fie s ASN 254 CO 0.17 -0.34 1.58 -0.65 -2.79 0.00 0.00 177.10 175.07 1fie h PRO 255 N 7.89 -0.06 0.00 0.43 0.11 -1.88 0.76 132.00 139.24 1fie h PRO 255 Ca -0.15 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.96 1fie h PRO 255 Cb 1.05 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.17 1fie h PRO 255 CO 0.56 -0.04 0.00 -0.89 -0.21 0.00 0.00 178.00 177.41 1fie n ILE 256 N -5.48 0.00 -0.08 4.15 5.41 -1.26 -0.49 119.36 121.61 1fie n ILE 256 Ca 0.08 1.48 0.18 0.00 1.00 0.00 0.00 62.75 65.49 1fie n ILE 256 Cb 0.39 -2.21 0.60 0.00 -0.71 0.00 0.00 39.64 37.71 1fie n ILE 256 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 176.55 177.05 1fie h LYS 257 N 0.00 0.19 -0.42 0.38 3.64 -1.74 0.25 116.57 118.86 1fie h LYS 257 Ca 0.00 -0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.29 1fie h LYS 257 Cb 0.00 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.76 1fie h LYS 257 CO 0.00 0.13 -0.03 0.28 -2.27 0.00 0.00 179.45 177.55 1fie h VAL 258 N 0.20 1.27 0.06 2.00 2.07 -0.04 0.18 116.25 121.99 1fie h VAL 258 Ca 0.31 -1.09 -0.25 0.00 0.82 0.00 0.00 66.70 66.49 1fie h VAL 258 Cb 0.95 1.12 0.00 0.00 -1.52 0.00 0.00 31.29 31.84 1fie h VAL 258 CO -0.06 0.37 -1.07 0.77 0.02 0.00 0.00 177.57 177.60 1fie h SER 259 N 0.60 0.50 -0.43 0.57 4.64 0.47 -0.75 113.55 119.15 1fie h SER 259 Ca 0.12 -0.45 -0.09 0.00 -0.47 0.00 0.00 61.79 60.90 1fie h SER 259 Cb 0.54 -0.16 -0.02 0.00 -0.31 0.00 0.00 62.40 62.45 1fie h SER 259 CO 0.03 1.29 -0.04 -0.09 -0.87 0.00 0.00 176.83 177.15 1fie h ARG 260 N 0.17 0.86 0.18 4.77 9.65 -0.43 -1.88 114.38 127.70 1fie h ARG 260 Ca -0.11 -0.26 -0.34 0.00 -1.10 0.00 0.00 59.98 58.18 1fie h ARG 260 Cb 1.75 -0.09 0.01 0.00 -1.39 0.00 0.00 29.97 30.25 1fie h ARG 260 CO 0.18 0.88 -1.64 0.28 2.80 0.00 0.00 179.97 182.48 1fie h VAL 261 N 0.79 1.07 0.22 0.20 2.07 -0.65 -3.33 116.25 116.62 1fie h VAL 261 Ca 0.14 -2.63 -0.01 0.00 0.82 0.00 0.00 66.70 65.02 1fie h VAL 261 Cb 0.53 2.82 0.00 0.00 -1.52 0.00 0.00 31.29 33.12 1fie h VAL 261 CO 0.03 0.84 -0.10 1.23 0.02 0.00 0.00 177.57 179.58 1fie h GLY 262 N 0.85 -0.31 1.27 2.17 0.00 -1.10 -2.80 103.07 103.15 1fie h GLY 262 Ca -0.30 0.11 0.07 0.00 0.00 0.00 0.00 47.33 47.22 1fie h GLY 262 CO 0.19 -0.11 0.30 1.48 0.00 0.00 0.00 176.54 178.40 1fie h SER 263 N -0.49 0.00 0.73 0.19 4.64 -1.51 0.18 113.55 117.30 1fie h SER 263 Ca -0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 1fie h SER 263 Cb 0.37 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 1fie h SER 263 CO 0.05 0.00 -0.01 0.00 -0.87 0.00 0.00 176.83 175.99 1fie n ALA 264 N -2.29 2.46 0.59 5.18 0.00 -1.06 -3.21 120.51 122.18 1fie n ALA 264 Ca 0.03 -0.14 0.10 0.00 0.00 0.00 0.00 53.44 53.44 1fie n ALA 264 Cb 0.43 -1.47 -0.14 0.00 0.00 0.00 0.00 19.45 18.27 1fie n ALA 264 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1fie n MET 265 N -1.36 0.27 0.16 0.00 2.81 0.64 -4.51 117.12 115.11 1fie n MET 265 Ca 0.11 -0.08 -0.14 0.00 -1.81 0.00 0.00 57.70 55.78 1fie n MET 265 Cb 0.28 -1.51 -0.08 0.00 -0.71 0.00 0.00 33.22 31.21 1fie n MET 265 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 1fie h VAL 266 N 0.00 0.78 -2.68 2.03 2.07 -1.51 0.93 116.25 117.87 1fie h VAL 266 Ca 0.00 -0.17 -0.60 0.00 0.82 0.00 0.00 66.70 66.75 1fie h VAL 266 Cb 0.70 0.88 -0.12 0.00 -1.52 0.00 0.00 31.29 31.23 1fie h VAL 266 CO 0.00 0.04 0.69 0.21 0.02 0.00 0.00 177.57 178.53 1fie s ASN 267 N -4.96 6.20 -0.88 0.57 2.47 -1.26 -0.43 114.94 116.65 1fie s ASN 267 Ca -0.15 -0.72 -0.20 0.00 0.42 0.00 0.00 52.86 52.21 1fie s ASN 267 Cb 0.04 -2.46 -0.23 0.00 -1.45 0.00 0.00 41.25 37.15 1fie s ASN 267 CO 0.63 -1.51 2.36 0.00 -3.72 0.00 0.00 177.10 174.86 1fie n ALA 268 N 8.13 0.71 -1.84 1.71 0.00 0.34 -4.47 120.51 125.09 1fie n ALA 268 Ca -0.01 -0.88 -0.39 0.00 0.00 0.00 0.00 53.44 52.16 1fie n ALA 268 Cb 0.47 -2.71 -0.03 0.00 0.00 0.00 0.00 19.45 17.18 1fie n ALA 268 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1fie n LYS 269 N 7.41 2.25 -2.63 0.00 5.02 -1.26 -4.45 118.16 124.50 1fie n LYS 269 Ca 0.58 -2.51 -0.02 0.00 -2.02 0.00 0.00 58.31 54.35 1fie n LYS 269 Cb 0.25 -3.33 0.00 0.00 -0.02 0.00 0.00 35.03 31.92 1fie n LYS 269 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1fie n ASP 270 N 8.99 -7.46 0.00 4.39 2.03 -1.26 -3.86 116.55 119.38 1fie n ASP 270 Ca 0.49 1.11 0.00 0.00 0.52 0.00 0.00 54.79 56.91 1fie n ASP 270 Cb 0.43 -4.96 0.00 0.00 -0.72 0.00 0.00 41.12 35.87 1fie n ASP 270 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 1fie n ASP 271 N 0.41 -0.03 0.00 1.67 5.75 -1.26 -4.79 116.55 118.31 1fie n ASP 271 Ca 0.03 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.81 1fie n ASP 271 Cb 0.10 -2.49 0.00 0.00 -1.03 0.00 0.00 41.12 37.70 1fie n ASP 271 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1fie n GLU 272 N -1.99 0.00 0.00 0.11 1.02 -1.25 -4.54 120.64 113.99 1fie n GLU 272 Ca 0.00 0.04 0.00 0.00 -0.02 0.00 0.00 57.16 57.18 1fie n GLU 272 Cb 0.00 -0.31 0.00 0.00 -0.02 0.00 0.00 31.44 31.11 1fie n GLU 272 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1fie n GLY 273 N 2.35 -1.54 0.06 0.62 0.00 -1.26 -4.69 105.19 100.73 1fie n GLY 273 Ca 0.00 -0.51 -0.06 0.00 0.00 0.00 0.00 46.02 45.45 1fie n GLY 273 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1fie h VAL 274 N -1.35 0.59 -3.35 1.61 2.07 0.88 -3.34 116.25 113.35 1fie h VAL 274 Ca 0.00 -1.48 -0.66 0.00 0.82 0.00 0.00 66.70 65.38 1fie h VAL 274 Cb 0.00 1.15 -0.28 0.00 -1.52 0.00 0.00 31.29 30.64 1fie h VAL 274 CO 0.00 0.20 -0.79 -0.76 0.02 0.00 0.00 177.57 176.24 1fie s LEU 275 N -8.36 2.59 -0.19 2.57 1.43 0.43 0.20 118.68 117.35 1fie s LEU 275 Ca -0.10 -0.37 -0.28 0.00 -1.03 0.00 0.00 54.13 52.35 1fie s LEU 275 Cb -0.00 -1.57 -0.00 0.00 0.03 0.00 0.00 46.19 44.65 1fie s LEU 275 CO 0.27 0.17 0.99 -0.69 0.23 0.00 0.00 176.35 177.32 1fie s VAL 276 N 0.32 4.75 -0.01 -1.59 1.01 -0.75 0.13 120.40 124.25 1fie s VAL 276 Ca -0.12 1.95 -0.24 0.00 0.00 0.00 0.00 61.98 63.57 1fie s VAL 276 Cb -0.16 -4.28 -0.04 0.00 0.00 0.00 0.00 36.38 31.90 1fie s VAL 276 CO 0.06 -0.10 0.74 -0.83 0.00 0.00 0.00 175.10 174.97 1fie s GLY 277 N 1.18 2.71 -0.13 4.51 0.00 -1.26 -1.30 107.32 113.03 1fie s GLY 277 Ca 0.44 0.21 -0.11 0.00 0.00 0.00 0.00 44.72 45.26 1fie s GLY 277 CO 0.10 1.14 0.33 -0.45 0.00 0.00 0.00 173.10 174.23 1fie s SER 278 N 0.39 -0.36 -0.01 1.64 0.15 -0.84 -4.84 113.70 109.84 1fie s SER 278 Ca 0.38 0.68 0.01 0.00 0.70 0.00 0.00 55.95 57.73 1fie s SER 278 Cb -0.19 0.67 0.02 0.00 -1.71 0.00 0.00 66.02 64.81 1fie s SER 278 CO 0.21 -0.13 0.97 0.79 1.20 0.00 0.00 173.24 176.27 1fie n TRP 279 N 3.19 0.00 -2.58 3.44 8.01 -1.26 -4.55 117.44 123.68 1fie n TRP 279 Ca -0.15 -0.49 -0.42 0.00 -1.31 0.00 0.00 57.50 55.12 1fie n TRP 279 Cb 0.57 -0.05 -0.03 0.00 -2.01 0.00 0.00 31.31 29.79 1fie n TRP 279 CO 0.00 0.00 0.00 0.16 -1.01 0.00 0.00 177.69 176.84 1fie s ASP 280 N -1.05 7.17 0.00 -0.99 -4.77 -1.26 -4.89 116.67 110.89 1fie s ASP 280 Ca 0.02 1.68 0.00 0.00 -3.30 0.00 0.00 52.55 50.96 1fie s ASP 280 Cb 0.02 -2.56 0.00 0.00 -1.09 0.00 0.00 42.92 39.29 1fie s ASP 280 CO 0.00 -0.48 0.03 -3.20 0.70 0.00 0.00 175.17 172.22 1fie n ASN 281 N 4.90 0.00 -0.06 2.11 4.05 -1.26 -3.30 115.26 121.70 1fie n ASN 281 Ca 0.09 -0.07 -0.06 0.00 0.45 0.00 0.00 54.58 54.99 1fie n ASN 281 Cb 0.48 -0.00 -0.02 0.00 1.23 0.00 0.00 39.78 41.47 1fie n ASN 281 CO 0.00 0.00 0.00 -0.38 -3.05 0.00 0.00 177.26 173.83 1fie n ILE 282 N -0.39 1.09 -2.62 -1.44 5.41 -1.26 -5.03 119.36 115.13 1fie n ILE 282 Ca 0.00 0.25 -0.07 0.00 1.00 0.00 0.00 62.75 63.92 1fie n ILE 282 Cb 0.00 -2.13 0.03 0.00 -0.71 0.00 0.00 39.64 36.83 1fie n ILE 282 CO 0.00 0.00 0.00 -1.22 0.00 0.00 0.00 176.55 175.33 1fie n TYR 283 N -3.96 -0.90 0.24 1.39 4.01 -1.21 -4.90 117.16 111.84 1fie n TYR 283 Ca -0.09 0.37 0.03 0.00 -0.16 0.00 0.00 57.90 58.05 1fie n TYR 283 Cb 0.35 -3.11 0.05 0.00 -0.31 0.00 0.00 39.34 36.31 1fie n TYR 283 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1fie n ALA 284 N -2.42 0.11 -1.94 -0.72 0.00 -1.26 -2.43 120.51 111.85 1fie n ALA 284 Ca -0.10 0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1fie n ALA 284 Cb 0.56 -0.07 0.00 0.00 0.00 0.00 0.00 19.45 19.94 1fie n ALA 284 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1fie n TYR 285 N -2.43 0.00 -2.28 0.00 4.01 -1.26 -5.14 117.16 110.06 1fie n TYR 285 Ca 0.03 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.77 1fie n TYR 285 Cb 0.98 0.07 0.00 0.00 -0.31 0.00 0.00 39.34 40.08 1fie n TYR 285 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1fie n GLY 286 N 0.00 4.69 3.83 2.72 0.00 -1.02 -4.97 105.19 110.44 1fie n GLY 286 Ca 0.00 -1.11 -0.38 0.00 0.00 0.00 0.00 46.02 44.54 1fie n GLY 286 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1fie s VAL 287 N -0.70 5.20 0.20 1.61 1.01 -1.19 -5.02 120.40 121.51 1fie s VAL 287 Ca 0.00 0.63 -0.30 0.00 0.00 0.00 0.00 61.98 62.31 1fie s VAL 287 Cb 0.00 -3.62 -0.09 0.00 0.00 0.00 0.00 36.38 32.67 1fie s VAL 287 CO 0.00 0.56 1.36 -2.84 0.00 0.00 0.00 175.10 174.18 1fie s PRO 288 N -0.81 4.34 0.36 2.72 0.02 -1.26 -4.42 135.00 135.94 1fie s PRO 288 Ca 0.20 2.13 0.18 0.00 0.02 0.00 0.00 61.00 63.54 1fie s PRO 288 Cb -0.15 -3.18 1.23 0.00 0.02 0.00 0.00 34.50 32.43 1fie s PRO 288 CO 0.09 -0.34 1.62 -1.35 -0.33 0.00 0.00 177.00 176.70 1fie h PRO 289 N 5.55 0.14 0.00 5.54 0.11 -1.89 0.69 132.00 142.14 1fie h PRO 289 Ca -0.45 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.63 1fie h PRO 289 Cb 1.21 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.29 1fie h PRO 289 CO 0.79 0.09 -0.11 0.77 -0.21 0.00 0.00 178.00 179.33 1fie h SER 290 N 0.15 0.00 -0.21 -2.05 0.02 -1.93 -3.16 113.55 106.36 1fie h SER 290 Ca 0.80 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.73 1fie h SER 290 Cb 1.99 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 64.53 1fie h SER 290 CO -0.70 0.11 0.07 0.00 -1.14 0.00 0.00 176.83 175.18 1fie h ALA 291 N 1.89 0.28 -0.96 3.77 0.00 0.10 -3.43 119.26 120.90 1fie h ALA 291 Ca -0.00 -0.13 -0.72 0.00 0.00 0.00 0.00 54.91 54.06 1fie h ALA 291 Cb 0.54 -0.08 0.07 0.00 0.00 0.00 0.00 17.79 18.31 1fie h ALA 291 CO 0.01 -0.11 -0.12 0.91 0.00 0.00 0.00 179.25 179.94 1fie n TRP 292 N -4.79 0.26 -0.05 0.00 7.02 -1.20 -4.72 117.44 113.96 1fie n TRP 292 Ca -0.04 0.99 -0.05 0.00 -1.02 0.00 0.00 57.50 57.38 1fie n TRP 292 Cb 0.15 -1.96 -0.15 0.00 -2.42 0.00 0.00 31.31 26.93 1fie n TRP 292 CO 0.00 0.00 0.00 0.25 -2.02 0.00 0.00 177.69 175.92 1fie n THR 293 N 0.97 1.15 -3.90 -0.99 -2.24 -1.26 -4.99 114.28 103.02 1fie n THR 293 Ca 0.19 -0.76 0.01 0.00 -2.27 0.00 0.00 64.05 61.21 1fie n THR 293 Cb 0.13 -0.50 0.00 0.00 -2.10 0.00 0.00 70.33 67.86 1fie n THR 293 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1fie n GLY 294 N 1.59 0.50 0.19 3.38 0.00 -1.26 -2.92 105.19 106.66 1fie n GLY 294 Ca -0.22 -0.90 -0.14 0.00 0.00 0.00 0.00 46.02 44.76 1fie n GLY 294 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1fie h SER 295 N 0.60 0.70 -0.23 1.61 0.02 -1.62 -3.36 113.55 111.27 1fie h SER 295 Ca -0.06 -0.49 0.05 0.00 -0.84 0.00 0.00 61.79 60.45 1fie h SER 295 Cb 0.36 -0.21 -0.07 0.00 0.14 0.00 0.00 62.40 62.61 1fie h SER 295 CO 0.09 1.27 -0.38 0.58 -1.14 0.00 0.00 176.83 177.25 1fie h VAL 296 N 0.37 0.19 -0.68 2.27 2.07 -1.79 -0.52 116.25 118.16 1fie h VAL 296 Ca -0.06 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.52 1fie h VAL 296 Cb 1.45 0.19 -0.08 0.00 -1.52 0.00 0.00 31.29 31.32 1fie h VAL 296 CO 0.15 0.00 -0.40 -0.67 0.02 0.00 0.00 177.57 176.67 1fie n ASP 297 N -5.42 -0.72 0.05 0.57 -0.08 -1.26 -2.06 116.55 107.64 1fie n ASP 297 Ca -0.02 1.40 -0.02 0.00 -1.51 0.00 0.00 54.79 54.63 1fie n ASP 297 Cb 0.35 -0.25 -0.01 0.00 2.34 0.00 0.00 41.12 43.55 1fie n ASP 297 CO 0.00 0.00 0.00 0.40 0.12 0.00 0.00 177.20 177.72 1fie h ILE 298 N 0.00 0.00 -1.19 5.18 2.04 -1.57 -2.87 117.51 119.10 1fie h ILE 298 Ca 0.11 -0.02 0.42 0.00 1.00 0.00 0.00 64.86 66.37 1fie h ILE 298 Cb 0.28 0.00 -0.15 0.00 -0.74 0.00 0.00 36.82 36.21 1fie h ILE 298 CO -0.64 0.00 0.72 -0.07 0.00 0.00 0.00 178.15 178.16 1fie h LEU 299 N -0.15 0.30 -0.24 1.44 3.38 -1.06 0.82 115.31 119.80 1fie h LEU 299 Ca -0.01 0.18 -0.17 0.00 0.09 0.00 0.00 57.88 57.97 1fie h LEU 299 Cb 0.10 0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 1fie h LEU 299 CO 0.02 -0.26 -0.83 -0.07 0.09 0.00 0.00 178.44 177.39 1fie h LEU 300 N 0.09 0.00 -0.25 1.67 3.38 -1.46 -1.94 115.31 116.79 1fie h LEU 300 Ca 0.83 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 58.63 1fie h LEU 300 Cb 2.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 43.13 1fie h LEU 300 CO -0.56 0.83 -0.50 -0.08 0.09 0.00 0.00 178.44 178.22 1fie h GLU 301 N 0.00 0.79 0.17 1.13 4.22 0.80 -1.98 114.58 119.71 1fie h GLU 301 Ca -0.01 -0.51 0.01 0.00 0.08 0.00 0.00 59.36 58.94 1fie h GLU 301 Cb 1.52 0.06 -0.03 0.00 0.50 0.00 0.00 28.75 30.81 1fie h GLU 301 CO 0.11 1.14 -0.26 -0.92 -2.18 0.00 0.00 179.01 176.89 1fie h TYR 302 N 0.53 -0.71 -0.06 0.92 3.20 -0.98 0.96 116.97 120.84 1fie h TYR 302 Ca 0.01 0.01 0.03 0.00 3.14 0.00 0.00 58.73 61.92 1fie h TYR 302 Cb 1.11 0.29 -0.06 0.00 1.54 0.00 0.00 36.73 39.61 1fie h TYR 302 CO 0.08 -0.37 -0.46 -0.09 -1.64 0.00 0.00 178.16 175.68 1fie h ARG 303 N -0.50 -0.56 0.38 1.82 9.65 -1.34 1.29 114.38 125.13 1fie h ARG 303 Ca 0.02 0.04 -0.01 0.00 -1.10 0.00 0.00 59.98 58.93 1fie h ARG 303 Cb 0.51 0.13 -0.02 0.00 -1.39 0.00 0.00 29.97 29.20 1fie h ARG 303 CO -0.12 -0.37 -0.31 0.77 2.80 0.00 0.00 179.97 182.74 1fie h SER 304 N -0.58 -0.82 0.48 -3.80 0.02 -1.09 -2.92 113.55 104.84 1fie h SER 304 Ca 0.05 0.06 -0.12 0.00 -0.84 0.00 0.00 61.79 60.95 1fie h SER 304 Cb 0.67 0.27 -0.02 0.00 0.14 0.00 0.00 62.40 63.46 1fie h SER 304 CO -0.37 -0.46 -0.53 0.77 -1.14 0.00 0.00 176.83 175.10 1fie h SER 305 N -0.70 0.06 0.00 3.07 4.64 -0.75 -3.46 113.55 116.40 1fie h SER 305 Ca -0.03 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.26 1fie h SER 305 Cb 0.61 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.69 1fie h SER 305 CO -0.02 0.58 0.00 -0.62 -0.87 0.00 0.00 176.83 175.90 1fie n GLU 306 N -3.91 -1.07 -4.47 4.77 1.02 0.44 -4.96 120.64 112.45 1fie n GLU 306 Ca -0.02 0.27 -0.22 0.00 -0.02 0.00 0.00 57.16 57.17 1fie n GLU 306 Cb 0.54 -4.11 -0.10 0.00 -0.02 0.00 0.00 31.44 27.75 1fie n GLU 306 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 1fie s ASN 307 N -2.02 2.87 0.26 1.62 0.02 -1.23 -5.01 114.94 111.45 1fie s ASN 307 Ca 0.00 -1.26 -0.31 0.00 -1.02 0.00 0.00 52.86 50.27 1fie s ASN 307 Cb 0.00 -0.19 -0.12 0.00 0.02 0.00 0.00 41.25 40.96 1fie s ASN 307 CO 0.00 -0.41 1.66 -2.65 0.02 0.00 0.00 177.10 175.71 1fie n PRO 308 N -0.67 2.77 -2.62 -0.60 -0.02 -1.25 -4.57 135.00 128.03 1fie n PRO 308 Ca -0.05 0.99 -0.42 0.00 -2.02 0.00 0.00 63.50 62.01 1fie n PRO 308 Cb 0.65 -2.81 -0.03 0.00 -0.02 0.00 0.00 33.50 31.29 1fie n PRO 308 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1fie s VAL 309 N 0.44 4.61 -0.00 -1.45 1.01 0.13 -4.79 120.40 120.35 1fie s VAL 309 Ca 0.68 1.88 -0.30 0.00 0.00 0.00 0.00 61.98 64.24 1fie s VAL 309 Cb -0.49 -4.20 -0.05 0.00 0.00 0.00 0.00 36.38 31.64 1fie s VAL 309 CO 0.42 0.15 1.35 -0.13 0.00 0.00 0.00 175.10 176.89 1fie s ARG 310 N 1.00 4.30 0.20 2.72 0.52 -1.26 -1.81 118.95 124.62 1fie s ARG 310 Ca 0.54 1.90 0.00 0.00 -0.52 0.00 0.00 55.73 57.65 1fie s ARG 310 Cb -0.24 -3.55 0.00 0.00 0.52 0.00 0.00 34.95 31.69 1fie s ARG 310 CO 0.28 -0.53 0.00 0.66 0.02 0.00 0.00 175.30 175.74 1fie n TYR 311 N 5.21 -3.82 -4.01 -0.53 4.01 -0.42 -3.18 117.16 114.43 1fie n TYR 311 Ca 0.12 2.21 -0.09 0.00 -0.16 0.00 0.00 57.90 59.98 1fie n TYR 311 Cb 0.44 -3.28 -0.05 0.00 -0.31 0.00 0.00 39.34 36.14 1fie n TYR 311 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 1fie s GLY 312 N -0.79 0.63 0.34 2.72 0.00 -0.86 -4.29 107.32 105.07 1fie s GLY 312 Ca 0.00 -0.95 0.00 0.00 0.00 0.00 0.00 44.72 43.77 1fie s GLY 312 CO 0.00 -0.68 0.43 -1.06 0.00 0.00 0.00 173.10 171.80 1fie n GLN 313 N -0.39 0.63 -0.31 2.90 6.02 -1.26 -1.98 117.38 122.99 1fie n GLN 313 Ca -0.01 -2.85 0.21 0.00 -0.01 0.00 0.00 57.00 54.34 1fie n GLN 313 Cb 0.62 2.64 0.39 0.00 1.02 0.00 0.00 30.24 34.91 1fie n GLN 313 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1fie h TRP 315 N 0.00 0.00 -0.06 0.00 0.09 -1.97 -2.83 115.95 111.18 1fie h TRP 315 Ca 0.66 0.00 -0.08 0.00 0.09 0.00 0.00 58.89 59.56 1fie h TRP 315 Cb 1.56 0.00 0.00 0.00 0.08 0.00 0.00 29.16 30.80 1fie h TRP 315 CO -0.28 0.57 -0.29 0.28 0.09 0.00 0.00 178.44 178.82 1fie h VAL 316 N 0.00 1.43 -0.97 0.12 2.07 -0.90 -1.34 116.25 116.66 1fie h VAL 316 Ca -0.01 -1.71 0.05 0.00 0.82 0.00 0.00 66.70 65.86 1fie h VAL 316 Cb 1.32 2.35 -0.06 0.00 -1.52 0.00 0.00 31.29 33.37 1fie h VAL 316 CO 0.07 0.49 0.63 -0.26 0.02 0.00 0.00 177.57 178.52 1fie h PHE 317 N -0.20 1.17 0.00 1.57 0.04 -1.50 -2.28 116.94 115.74 1fie h PHE 317 Ca -0.02 0.03 -0.05 0.00 2.80 0.00 0.00 57.97 60.73 1fie h PHE 317 Cb 0.94 -0.39 -0.01 0.00 2.20 0.00 0.00 35.95 38.69 1fie h PHE 317 CO 0.13 0.63 -0.24 0.00 -0.60 0.00 0.00 178.31 178.24 1fie h ALA 318 N 1.43 0.94 0.00 2.45 0.00 -1.43 -2.42 119.26 120.23 1fie h ALA 318 Ca 0.41 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 1fie h ALA 318 Cb 0.10 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1fie h ALA 318 CO -0.15 0.30 -0.01 0.78 0.00 0.00 0.00 179.25 180.16 1fie h GLY 319 N 2.59 0.01 0.92 0.00 0.00 -0.68 -2.76 103.07 103.14 1fie h GLY 319 Ca -0.00 -0.02 0.02 0.00 0.00 0.00 0.00 47.33 47.33 1fie h GLY 319 CO 0.03 0.01 0.50 -2.08 0.00 0.00 0.00 176.54 175.01 1fie h VAL 320 N -0.87 1.15 -0.53 4.60 2.07 -1.54 -1.44 116.25 119.69 1fie h VAL 320 Ca -0.00 -0.34 -0.06 0.00 0.82 0.00 0.00 66.70 67.11 1fie h VAL 320 Cb 0.89 0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 30.70 1fie h VAL 320 CO 0.00 0.18 0.09 0.15 0.02 0.00 0.00 177.57 178.02 1fie h PHE 321 N 1.00 0.92 0.00 1.57 3.57 -1.53 -1.57 116.94 120.90 1fie h PHE 321 Ca 0.30 -0.12 -0.04 0.00 3.53 0.00 0.00 57.97 61.63 1fie h PHE 321 Cb -0.04 -0.25 -0.01 0.00 2.79 0.00 0.00 35.95 38.44 1fie h PHE 321 CO -0.03 0.82 -0.20 -0.97 -2.23 0.00 0.00 178.31 175.70 1fie h ASN 322 N 0.75 0.00 -0.03 0.41 -1.24 -1.16 -1.27 115.58 113.05 1fie h ASN 322 Ca 0.16 0.00 -0.13 0.00 0.71 0.00 0.00 56.30 57.04 1fie h ASN 322 Cb 0.39 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.43 1fie h ASN 322 CO 0.01 0.20 -0.40 0.74 -1.29 0.00 0.00 177.43 176.69 1fie h THR 323 N 0.00 1.30 -0.45 -3.57 2.02 -0.55 -2.34 112.91 109.32 1fie h THR 323 Ca -0.00 -1.56 -0.10 0.00 0.77 0.00 0.00 66.41 65.52 1fie h THR 323 Cb 0.37 1.55 -0.01 0.00 -1.74 0.00 0.00 68.15 68.32 1fie h THR 323 CO 0.03 0.49 -0.10 0.15 0.37 0.00 0.00 175.52 176.45 1fie h PHE 324 N 0.45 0.98 0.10 3.16 3.57 -0.31 -1.77 116.94 123.12 1fie h PHE 324 Ca 0.04 -0.21 -0.01 0.00 3.53 0.00 0.00 57.97 61.33 1fie h PHE 324 Cb 0.89 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 39.39 1fie h PHE 324 CO 0.03 0.96 -0.05 -0.07 -2.23 0.00 0.00 178.31 176.96 1fie h LEU 325 N 0.71 -0.12 -0.49 0.59 3.38 -1.33 -2.99 115.31 115.06 1fie h LEU 325 Ca 0.12 -0.41 0.04 0.00 0.09 0.00 0.00 57.88 57.72 1fie h LEU 325 Cb 0.64 0.03 -0.04 0.00 0.09 0.00 0.00 40.66 41.38 1fie h LEU 325 CO 0.04 0.39 0.24 0.03 0.09 0.00 0.00 178.44 179.23 1fie h ARG 326 N -0.67 0.45 -0.11 1.13 3.08 -1.33 0.27 114.38 117.20 1fie h ARG 326 Ca -0.01 -0.03 0.04 0.00 0.07 0.00 0.00 59.98 60.05 1fie h ARG 326 Cb 0.52 -0.10 -0.05 0.00 0.08 0.00 0.00 29.97 30.42 1fie h ARG 326 CO 0.02 0.30 -0.21 0.00 -1.07 0.00 0.00 179.97 179.01 1fie h LEU 328 N -0.28 0.00 0.00 0.00 3.38 -1.33 -3.46 115.31 113.62 1fie h LEU 328 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1fie h LEU 328 Cb 0.42 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1fie h LEU 328 CO -0.27 0.00 0.00 0.61 0.09 0.00 0.00 178.44 178.87 1fie n GLY 329 N -0.03 1.06 3.65 0.83 0.00 -0.21 -1.53 105.19 108.95 1fie n GLY 329 Ca 0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 1fie n GLY 329 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1fie s ILE 330 N -2.00 5.08 -0.21 -0.61 1.01 0.82 -4.49 121.20 120.80 1fie s ILE 330 Ca 0.00 0.95 -0.30 0.00 0.00 0.00 0.00 60.65 61.30 1fie s ILE 330 Cb 0.00 -3.85 -0.07 0.00 0.01 0.00 0.00 42.46 38.55 1fie s ILE 330 CO 0.00 0.14 2.16 -2.65 0.00 0.00 0.00 174.94 174.59 1fie n PRO 331 N 5.09 1.88 -4.06 2.79 -0.02 -1.26 -3.02 135.00 136.40 1fie n PRO 331 Ca -0.04 0.55 -0.13 0.00 -2.02 0.00 0.00 63.50 61.87 1fie n PRO 331 Cb 0.50 -3.00 -0.11 0.00 -0.02 0.00 0.00 33.50 30.87 1fie n PRO 331 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1fie s ALA 332 N 7.38 0.52 -0.10 3.55 0.00 -1.04 0.27 121.76 132.33 1fie s ALA 332 Ca 1.01 -0.72 -0.09 0.00 0.00 0.00 0.00 51.96 52.16 1fie s ALA 332 Cb -0.49 0.05 0.03 0.00 0.00 0.00 0.00 23.12 22.71 1fie s ALA 332 CO 0.40 -0.03 0.26 -0.98 0.00 0.00 0.00 175.76 175.42 1fie s ARG 333 N -1.50 0.30 0.07 0.00 1.70 -0.46 -4.76 118.95 114.31 1fie s ARG 333 Ca -0.10 0.38 -0.30 0.00 -0.47 0.00 0.00 55.73 55.24 1fie s ARG 333 Cb -0.10 0.14 -0.05 0.00 -0.57 0.00 0.00 34.95 34.37 1fie s ARG 333 CO 0.00 -0.04 1.00 0.42 -1.08 0.00 0.00 175.30 175.60 1fie s ILE 334 N 0.20 4.54 0.02 4.99 1.01 -1.26 -1.53 121.20 129.17 1fie s ILE 334 Ca -0.00 1.97 0.04 0.00 0.00 0.00 0.00 60.65 62.65 1fie s ILE 334 Cb -0.02 -4.26 -0.03 0.00 0.01 0.00 0.00 42.46 38.15 1fie s ILE 334 CO -0.00 0.23 -0.06 -0.69 0.00 0.00 0.00 174.94 174.42 1fie s VAL 335 N 0.48 3.69 -0.19 2.92 1.01 0.12 -4.59 120.40 123.84 1fie s VAL 335 Ca 0.50 -0.83 0.01 0.00 0.00 0.00 0.00 61.98 61.67 1fie s VAL 335 Cb -0.24 -2.63 0.03 0.00 0.00 0.00 0.00 36.38 33.54 1fie s VAL 335 CO 0.30 0.34 -0.18 -0.89 0.00 0.00 0.00 175.10 174.67 1fie s THR 336 N -1.05 2.05 -0.17 3.92 2.01 -0.45 -1.59 115.64 120.36 1fie s THR 336 Ca 0.18 -1.06 -0.08 0.00 0.31 0.00 0.00 61.69 61.04 1fie s THR 336 Cb -0.11 -1.92 -0.05 0.00 0.01 0.00 0.00 72.50 70.43 1fie s THR 336 CO 0.09 0.42 0.12 0.21 -0.69 0.00 0.00 174.62 174.77 1fie s ASN 337 N 1.27 6.20 -0.25 3.53 3.04 0.38 -1.17 114.94 127.93 1fie s ASN 337 Ca 0.02 0.30 -0.10 0.00 0.04 0.00 0.00 52.86 53.13 1fie s ASN 337 Cb -0.14 -2.05 -0.05 0.00 -1.54 0.00 0.00 41.25 37.47 1fie s ASN 337 CO -0.11 0.27 0.15 -0.31 -3.04 0.00 0.00 177.10 174.06 1fie s TYR 338 N -0.19 3.24 -0.19 0.43 2.02 -0.30 -0.30 117.35 122.06 1fie s TYR 338 Ca 0.10 0.07 -0.05 0.00 -0.37 0.00 0.00 57.07 56.82 1fie s TYR 338 Cb -0.11 -2.29 0.01 0.00 -0.40 0.00 0.00 41.96 39.16 1fie s TYR 338 CO 0.01 -0.08 0.24 1.19 -1.57 0.00 0.00 175.55 175.33 1fie n PHE 339 N 4.62 -1.28 -3.82 2.71 3.72 0.23 -2.40 117.46 121.23 1fie n PHE 339 Ca -0.15 0.51 -0.36 0.00 -0.05 0.00 0.00 57.45 57.40 1fie n PHE 339 Cb 0.52 -2.49 -0.13 0.00 -0.94 0.00 0.00 39.48 36.45 1fie n PHE 339 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1fie s SER 340 N -1.78 5.00 -1.29 4.37 0.15 -0.45 -0.26 113.70 119.44 1fie s SER 340 Ca 0.07 -0.22 -0.17 0.00 0.70 0.00 0.00 55.95 56.33 1fie s SER 340 Cb -0.02 -1.89 0.09 0.00 -1.71 0.00 0.00 66.02 62.49 1fie s SER 340 CO 0.29 -0.02 1.72 0.00 1.20 0.00 0.00 173.24 176.43 1fie n ALA 341 N 4.79 3.77 -1.90 5.45 0.00 -0.79 -1.39 120.51 130.45 1fie n ALA 341 Ca -0.17 -3.93 -0.29 0.00 0.00 0.00 0.00 53.44 49.05 1fie n ALA 341 Cb 0.51 -3.49 0.08 0.00 0.00 0.00 0.00 19.45 16.55 1fie n ALA 341 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1fie s HIS 342 N 3.60 3.01 -1.12 0.00 5.04 -1.26 -3.56 115.29 121.00 1fie s HIS 342 Ca 0.51 0.79 0.00 0.00 -1.54 0.00 0.00 55.06 54.82 1fie s HIS 342 Cb 0.03 -3.41 0.00 0.00 0.04 0.00 0.00 32.58 29.25 1fie s HIS 342 CO 0.05 -1.65 0.00 -0.25 -2.34 0.00 0.00 174.74 170.55 1fie n ASP 343 N -3.24 -3.61 0.19 9.88 8.00 -1.26 -4.85 116.55 121.66 1fie n ASP 343 Ca 0.08 0.24 0.12 0.00 0.71 0.00 0.00 54.79 55.94 1fie n ASP 343 Cb 0.60 -3.18 0.69 0.00 -0.02 0.00 0.00 41.12 39.21 1fie n ASP 343 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1fie h ASN 344 N 0.00 0.00 -4.20 -2.24 7.08 -1.90 -3.47 115.58 110.85 1fie h ASN 344 Ca -0.27 0.00 -0.37 0.00 -3.08 0.00 0.00 56.30 52.58 1fie h ASN 344 Cb 1.06 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.30 1fie h ASN 344 CO 0.35 0.00 -0.52 -0.67 -2.08 0.00 0.00 177.43 174.50 1fie n ASP 345 N -4.39 -5.17 0.00 6.14 2.03 -1.26 -1.37 116.55 112.52 1fie n ASP 345 Ca 0.00 -0.15 0.00 0.00 0.52 0.00 0.00 54.79 55.17 1fie n ASP 345 Cb 0.23 -4.26 0.00 0.00 -0.72 0.00 0.00 41.12 36.38 1fie n ASP 345 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1fie n ALA 346 N -2.93 0.00 -1.80 -1.67 0.00 -1.26 -4.97 120.51 107.88 1fie n ALA 346 Ca -0.13 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 52.96 1fie n ALA 346 Cb 0.62 -0.22 -0.06 0.00 0.00 0.00 0.00 19.45 19.79 1fie n ALA 346 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1fie s ASN 347 N -2.69 7.07 -0.25 0.00 -0.87 -0.47 -2.36 114.94 115.37 1fie s ASN 347 Ca 0.00 1.81 0.13 0.00 -1.57 0.00 0.00 52.86 53.23 1fie s ASN 347 Cb 0.00 -2.56 0.63 0.00 -0.02 0.00 0.00 41.25 39.30 1fie s ASN 347 CO 0.00 -0.27 1.59 0.18 -2.57 0.00 0.00 177.10 176.03 1fie n LEU 348 N -0.06 4.83 -3.74 0.60 4.77 0.23 -4.78 117.00 118.86 1fie n LEU 348 Ca 0.05 -3.18 -0.21 0.00 -0.03 0.00 0.00 56.01 52.63 1fie n LEU 348 Cb 0.52 -0.64 -0.17 0.00 -2.33 0.00 0.00 43.42 40.79 1fie n LEU 348 CO 0.41 0.80 -0.36 -1.10 -1.33 0.00 0.00 177.39 175.80 1fie s GLN 349 N -2.94 0.28 -0.20 3.23 -0.21 -1.26 -0.76 119.66 117.81 1fie s GLN 349 Ca 0.48 0.21 -0.05 0.00 0.02 0.00 0.00 55.36 56.02 1fie s GLN 349 Cb 0.39 -0.71 -0.02 0.00 1.00 0.00 0.00 33.01 33.67 1fie s GLN 349 CO 0.10 -0.29 -0.00 1.41 -2.12 0.00 0.00 175.29 174.39 1fie s MET 350 N 1.89 3.62 -0.15 2.91 1.75 0.11 -4.92 119.30 124.52 1fie s MET 350 Ca 0.03 -0.52 -0.18 0.00 -1.25 0.00 0.00 55.69 53.77 1fie s MET 350 Cb -0.12 -3.06 -0.04 0.00 2.84 0.00 0.00 34.83 34.44 1fie s MET 350 CO -0.04 0.04 0.48 -0.51 -0.65 0.00 0.00 175.02 174.34 1fie s ASP 351 N 0.93 6.63 -0.24 1.11 1.01 -1.26 0.03 116.67 124.88 1fie s ASP 351 Ca 0.01 0.75 -0.02 0.00 0.71 0.00 0.00 52.55 54.00 1fie s ASP 351 Cb -0.14 -2.28 0.02 0.00 1.01 0.00 0.00 42.92 41.52 1fie s ASP 351 CO 0.02 -0.05 -0.06 -0.63 0.21 0.00 0.00 175.17 174.65 1fie s ILE 352 N 0.95 2.96 -0.11 0.77 -1.09 0.98 -4.75 121.20 120.90 1fie s ILE 352 Ca 0.25 -0.90 -0.18 0.00 -2.23 0.00 0.00 60.65 57.59 1fie s ILE 352 Cb -0.15 -2.45 -0.04 0.00 -1.58 0.00 0.00 42.46 38.23 1fie s ILE 352 CO 0.10 0.27 0.47 -0.36 -1.23 0.00 0.00 174.94 174.18 1fie s PHE 353 N 1.36 3.53 0.07 3.97 0.08 -1.26 -1.57 117.98 124.15 1fie s PHE 353 Ca 0.02 0.89 0.05 0.00 0.12 0.00 0.00 56.93 58.01 1fie s PHE 353 Cb -0.16 -2.52 -0.04 0.00 -0.57 0.00 0.00 43.02 39.73 1fie s PHE 353 CO -0.05 0.21 -0.04 -0.51 -0.10 0.00 0.00 175.22 174.73 1fie s LEU 354 N 0.47 3.28 0.67 -0.37 1.02 -0.21 0.22 118.68 123.76 1fie s LEU 354 Ca 0.25 -0.21 -0.09 0.00 0.02 0.00 0.00 54.13 54.10 1fie s LEU 354 Cb -0.15 -1.99 0.02 0.00 0.02 0.00 0.00 46.19 44.09 1fie s LEU 354 CO 0.10 0.21 1.02 -1.61 0.02 0.00 0.00 176.35 176.09 1fie s GLU 355 N -2.01 2.71 0.18 1.70 0.41 0.89 -1.18 118.70 121.41 1fie s GLU 355 Ca 0.22 0.16 -0.13 0.00 -0.41 0.00 0.00 54.97 54.81 1fie s GLU 355 Cb -0.11 -2.13 0.16 0.00 -1.78 0.00 0.00 34.13 30.27 1fie s GLU 355 CO 0.14 -0.99 1.75 0.93 -0.49 0.00 0.00 175.26 176.59 1fie h GLU 356 N -0.51 0.32 0.00 1.61 5.08 -1.87 -1.16 114.58 118.06 1fie h GLU 356 Ca -0.45 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 1fie h GLU 356 Cb 1.27 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.45 1fie h GLU 356 CO 0.62 0.21 0.00 -0.40 -1.00 0.00 0.00 179.01 178.45 1fie n ASP 357 N -5.02 0.23 0.00 1.42 5.68 -1.26 -4.86 116.55 112.75 1fie n ASP 357 Ca 0.05 0.55 0.00 0.00 -0.50 0.00 0.00 54.79 54.89 1fie n ASP 357 Cb 0.19 -0.60 0.00 0.00 -1.14 0.00 0.00 41.12 39.57 1fie n ASP 357 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1fie n GLY 358 N 0.29 0.99 3.79 6.12 0.00 -0.44 -4.81 105.19 111.14 1fie n GLY 358 Ca 0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.72 1fie n GLY 358 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1fie s ASN 359 N -1.74 6.12 0.28 1.61 2.47 -1.26 -4.55 114.94 117.87 1fie s ASN 359 Ca 0.00 1.96 -0.29 0.00 0.42 0.00 0.00 52.86 54.95 1fie s ASN 359 Cb 0.00 -2.56 -0.10 0.00 -1.45 0.00 0.00 41.25 37.14 1fie s ASN 359 CO 0.00 -0.93 1.21 -0.69 -3.72 0.00 0.00 177.10 172.97 1fie s VAL 360 N -2.01 3.18 -0.43 -5.21 1.01 -1.26 -0.08 120.40 115.60 1fie s VAL 360 Ca 0.68 1.14 -0.16 0.00 0.00 0.00 0.00 61.98 63.64 1fie s VAL 360 Cb -0.18 -3.73 0.03 0.00 0.00 0.00 0.00 36.38 32.51 1fie s VAL 360 CO 0.24 0.25 0.37 0.21 0.00 0.00 0.00 175.10 176.17 1fie s ASN 361 N -0.50 6.14 0.13 3.32 3.84 0.13 -4.73 114.94 123.29 1fie s ASN 361 Ca 0.48 -0.95 0.25 0.00 0.21 0.00 0.00 52.86 52.85 1fie s ASN 361 Cb -0.35 -2.19 0.57 0.00 -0.55 0.00 0.00 41.25 38.73 1fie s ASN 361 CO 0.45 -0.55 1.52 -1.54 -2.79 0.00 0.00 177.10 174.19 1fie n SER 362 N 5.32 0.68 0.34 -4.21 3.41 -1.26 -3.87 113.62 114.03 1fie n SER 362 Ca -0.10 0.27 -0.18 0.00 -0.26 0.00 0.00 58.87 58.60 1fie n SER 362 Cb 0.46 -0.19 -0.09 0.00 -0.26 0.00 0.00 64.21 64.13 1fie n SER 362 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 1fie h LYS 363 N 0.00 -0.89 -3.67 4.33 3.11 -1.96 -3.38 116.57 114.10 1fie h LYS 363 Ca 0.00 0.06 -0.57 0.00 -2.81 0.00 0.00 60.65 57.33 1fie h LYS 363 Cb 0.71 0.20 -0.40 0.00 -1.00 0.00 0.00 32.23 31.75 1fie h LYS 363 CO 0.00 -0.60 -0.76 -1.17 -2.81 0.00 0.00 179.45 174.11 1fie s LEU 364 N -10.09 2.07 -0.34 5.20 0.20 -1.25 -4.80 118.68 109.66 1fie s LEU 364 Ca -0.18 -1.39 -0.01 0.00 0.69 0.00 0.00 54.13 53.24 1fie s LEU 364 Cb 0.04 -0.85 0.28 0.00 -0.43 0.00 0.00 46.19 45.23 1fie s LEU 364 CO 0.62 -0.37 1.23 0.41 -0.29 0.00 0.00 176.35 177.95 1fie n THR 365 N 4.86 0.00 0.69 3.68 -1.04 -1.25 -4.33 114.28 116.90 1fie n THR 365 Ca -0.05 -0.74 0.12 0.00 -2.04 0.00 0.00 64.05 61.34 1fie n THR 365 Cb 0.43 1.12 0.22 0.00 -1.82 0.00 0.00 70.33 70.28 1fie n THR 365 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1fie n LYS 366 N 1.37 2.32 -4.81 -2.82 4.76 -1.26 -4.92 118.16 112.80 1fie n LYS 366 Ca 0.01 -1.97 -0.33 0.00 -2.87 0.00 0.00 58.31 53.15 1fie n LYS 366 Cb 0.71 -1.48 -0.13 0.00 -1.84 0.00 0.00 35.03 32.28 1fie n LYS 366 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1fie s ASP 367 N -1.68 4.12 0.21 4.39 1.01 -1.26 -5.10 116.67 118.36 1fie s ASP 367 Ca 0.35 -0.21 0.10 0.00 0.71 0.00 0.00 52.55 53.49 1fie s ASP 367 Cb 0.21 -1.15 -0.04 0.00 1.01 0.00 0.00 42.92 42.95 1fie s ASP 367 CO 0.31 0.29 -0.09 -0.94 0.21 0.00 0.00 175.17 174.94 1fie s SER 368 N -0.37 4.22 -0.21 0.27 1.04 -1.26 -4.93 113.70 112.45 1fie s SER 368 Ca 0.04 -0.66 -0.09 0.00 0.48 0.00 0.00 55.95 55.73 1fie s SER 368 Cb -0.12 -0.69 -0.04 0.00 0.10 0.00 0.00 66.02 65.27 1fie s SER 368 CO 0.02 0.07 0.10 0.68 0.98 0.00 0.00 173.24 175.09 1fie s VAL 369 N -1.96 4.93 0.34 5.02 -7.23 -1.26 -4.58 120.40 115.66 1fie s VAL 369 Ca 0.27 0.02 -0.28 0.00 -1.81 0.00 0.00 61.98 60.18 1fie s VAL 369 Cb -0.08 -3.26 -0.10 0.00 0.56 0.00 0.00 36.38 33.51 1fie s VAL 369 CO 0.16 0.40 1.26 0.26 -0.31 0.00 0.00 175.10 176.87 1fie s TRP 370 N 0.79 3.10 0.15 2.82 0.52 -0.49 -3.95 118.94 121.89 1fie s TRP 370 Ca 0.05 1.48 -0.22 0.00 0.02 0.00 0.00 56.10 57.42 1fie s TRP 370 Cb -0.13 -3.58 0.03 0.00 -1.15 0.00 0.00 33.47 28.64 1fie s TRP 370 CO 0.02 -1.62 1.62 -0.91 0.02 0.00 0.00 176.95 176.09 1fie h ASN 371 N 3.27 -0.82 -5.21 2.95 2.35 -0.69 -1.14 115.58 116.29 1fie h ASN 371 Ca -0.49 0.15 -0.10 0.00 -0.55 0.00 0.00 56.30 55.31 1fie h ASN 371 Cb 1.23 0.39 -0.14 0.00 0.05 0.00 0.00 38.32 39.84 1fie h ASN 371 CO 0.65 -0.29 -0.46 -0.72 -1.65 0.00 0.00 177.43 174.97 1fie s TYR 372 N -6.07 0.33 -0.16 1.19 1.13 -1.26 0.74 117.35 113.25 1fie s TYR 372 Ca -0.15 -0.77 -0.09 0.00 -1.41 0.00 0.00 57.07 54.65 1fie s TYR 372 Cb 0.12 -0.17 0.05 0.00 -1.10 0.00 0.00 41.96 40.87 1fie s TYR 372 CO 0.68 -0.53 0.38 -1.58 -2.51 0.00 0.00 175.55 171.99 1fie s HIS 373 N -3.90 -0.54 -0.21 -3.49 2.46 0.60 -4.86 115.29 105.34 1fie s HIS 373 Ca 0.09 1.18 -0.08 0.00 0.47 0.00 0.00 55.06 56.71 1fie s HIS 373 Cb 0.06 0.22 -0.04 0.00 -0.13 0.00 0.00 32.58 32.68 1fie s HIS 373 CO -0.08 -0.31 0.09 0.00 -2.47 0.00 0.00 174.74 171.97 1fie s TRP 375 N 0.81 0.75 0.55 0.00 -2.14 -0.62 -4.62 118.94 113.68 1fie s TRP 375 Ca 0.05 -0.98 -0.02 0.00 2.66 0.00 0.00 56.10 57.81 1fie s TRP 375 Cb -0.13 -0.47 0.02 0.00 -3.10 0.00 0.00 33.47 29.79 1fie s TRP 375 CO 0.02 -0.25 0.81 -0.80 -2.66 0.00 0.00 176.95 174.07 1fie s ASN 376 N -3.00 5.46 -0.04 -2.66 -0.87 -0.37 0.14 114.94 113.60 1fie s ASN 376 Ca 0.10 0.33 -0.02 0.00 -1.57 0.00 0.00 52.86 51.70 1fie s ASN 376 Cb 0.06 -1.32 0.03 0.00 -0.02 0.00 0.00 41.25 40.01 1fie s ASN 376 CO -0.06 -1.05 0.06 -1.61 -2.57 0.00 0.00 177.10 171.87 1fie s GLU 377 N -4.82 -0.07 0.01 -0.60 2.02 -0.58 -1.11 118.70 113.54 1fie s GLU 377 Ca 0.54 0.38 0.02 0.00 0.02 0.00 0.00 54.97 55.93 1fie s GLU 377 Cb -0.10 -0.47 -0.04 0.00 0.10 0.00 0.00 34.13 33.62 1fie s GLU 377 CO 0.41 -0.31 -0.00 0.00 0.02 0.00 0.00 175.26 175.37 1fie s ALA 378 N 2.08 3.27 -0.21 5.21 0.00 -0.53 -1.36 121.76 130.22 1fie s ALA 378 Ca 0.04 -0.97 -0.08 0.00 0.00 0.00 0.00 51.96 50.94 1fie s ALA 378 Cb -0.12 -1.32 -0.04 0.00 0.00 0.00 0.00 23.12 21.64 1fie s ALA 378 CO -0.03 0.65 0.09 -0.46 0.00 0.00 0.00 175.76 176.01 1fie s TRP 379 N -1.10 3.24 0.14 0.00 -0.11 0.14 -0.43 118.94 120.82 1fie s TRP 379 Ca 0.20 0.03 -0.24 0.00 1.22 0.00 0.00 56.10 57.31 1fie s TRP 379 Cb -0.11 -2.16 0.08 0.00 -1.50 0.00 0.00 33.47 29.78 1fie s TRP 379 CO 0.11 0.04 1.09 0.00 -4.62 0.00 0.00 176.95 173.57 1fie s MET 380 N 0.78 1.09 0.23 5.86 0.23 -0.52 -4.31 119.30 122.67 1fie s MET 380 Ca 0.05 -0.70 0.05 0.00 -1.03 0.00 0.00 55.69 54.06 1fie s MET 380 Cb -0.13 0.31 -0.03 0.00 -1.53 0.00 0.00 34.83 33.45 1fie s MET 380 CO 0.02 -0.51 0.32 0.95 -2.03 0.00 0.00 175.02 173.77 1fie s THR 381 N -2.19 5.12 -0.66 3.16 -4.23 -1.12 -0.69 115.64 115.03 1fie s THR 381 Ca 0.23 -1.03 0.05 0.00 -1.18 0.00 0.00 61.69 59.76 1fie s THR 381 Cb -0.02 -3.76 0.21 0.00 1.34 0.00 0.00 72.50 70.26 1fie s THR 381 CO 0.04 -0.31 0.60 0.54 -0.54 0.00 0.00 174.62 174.94 1fie n ARG 382 N -1.28 2.02 0.00 3.99 5.12 -1.26 -4.88 116.66 120.37 1fie n ARG 382 Ca -0.09 -4.47 0.07 0.00 -1.93 0.00 0.00 57.85 51.44 1fie n ARG 382 Cb 0.57 -2.21 0.44 0.00 -1.16 0.00 0.00 32.46 30.09 1fie n ARG 382 CO 0.00 0.00 0.00 -0.35 -1.93 0.00 0.00 177.63 175.35 1fie n PRO 383 N 1.51 0.58 -0.00 5.56 -0.04 -1.26 -2.16 135.00 139.18 1fie n PRO 383 Ca 0.25 0.00 0.10 0.00 -0.04 0.00 0.00 63.50 63.80 1fie n PRO 383 Cb 0.39 -1.40 -0.12 0.00 -0.04 0.00 0.00 33.50 32.33 1fie n PRO 383 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1fie n ASP 384 N -0.90 0.98 -4.48 3.54 5.75 -1.26 -4.95 116.55 115.24 1fie n ASP 384 Ca 0.11 -0.99 -0.28 0.00 -0.01 0.00 0.00 54.79 53.62 1fie n ASP 384 Cb 0.05 1.01 -0.09 0.00 -1.03 0.00 0.00 41.12 41.06 1fie n ASP 384 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1fie s LEU 385 N -3.00 2.25 1.36 -2.12 1.43 -0.92 -5.06 118.68 112.63 1fie s LEU 385 Ca 0.08 -1.59 -0.20 0.00 -1.03 0.00 0.00 54.13 51.38 1fie s LEU 385 Cb 0.16 -0.49 0.35 0.00 0.03 0.00 0.00 46.19 46.23 1fie s LEU 385 CO 0.86 -0.80 0.96 -2.84 0.23 0.00 0.00 176.35 174.76 1fie s PRO 386 N -3.80 -2.45 0.28 1.29 0.02 -1.26 -4.95 135.00 124.14 1fie s PRO 386 Ca 0.19 0.27 -0.29 0.00 0.02 0.00 0.00 61.00 61.19 1fie s PRO 386 Cb 0.04 -1.42 -0.09 0.00 0.02 0.00 0.00 34.50 33.04 1fie s PRO 386 CO 0.10 -4.59 1.07 0.54 -0.33 0.00 0.00 177.00 173.80 1fie s VAL 387 N -2.36 3.58 0.00 3.83 0.11 -1.26 -3.64 120.40 120.66 1fie s VAL 387 Ca 0.69 1.57 0.00 0.00 -2.93 0.00 0.00 61.98 61.30 1fie s VAL 387 Cb -0.16 -3.99 0.00 0.00 -1.53 0.00 0.00 36.38 30.71 1fie s VAL 387 CO 0.59 0.35 0.00 0.61 -3.33 0.00 0.00 175.10 173.33 1fie n GLY 388 N 1.17 2.49 0.40 6.54 0.00 -1.26 -4.90 105.19 109.63 1fie n GLY 388 Ca -0.01 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.06 1fie n GLY 388 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1fie n PHE 389 N -0.60 0.27 -1.83 1.61 3.72 -1.24 -4.85 117.46 114.53 1fie n PHE 389 Ca 0.00 -0.14 -0.29 0.00 -0.05 0.00 0.00 57.45 56.97 1fie n PHE 389 Cb 0.00 0.00 0.13 0.00 -0.94 0.00 0.00 39.48 38.67 1fie n PHE 389 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1fie s GLY 390 N -1.07 1.65 0.00 1.37 0.00 -1.26 -4.66 107.32 103.34 1fie s GLY 390 Ca 0.17 -0.84 0.00 0.00 0.00 0.00 0.00 44.72 44.05 1fie s GLY 390 CO 0.12 -0.23 0.00 0.61 0.00 0.00 0.00 173.10 173.60 1fie n GLY 391 N -3.24 0.05 3.72 0.20 0.00 0.14 -4.85 105.19 101.21 1fie n GLY 391 Ca 0.10 -1.69 -0.39 0.00 0.00 0.00 0.00 46.02 44.04 1fie n GLY 391 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1fie s TRP 392 N -0.07 3.57 -0.20 1.61 0.52 -1.26 -1.43 118.94 121.68 1fie s TRP 392 Ca 0.00 1.12 -0.03 0.00 0.02 0.00 0.00 56.10 57.21 1fie s TRP 392 Cb 0.00 -2.69 -0.01 0.00 -1.15 0.00 0.00 33.47 29.62 1fie s TRP 392 CO 0.00 0.15 -0.06 -0.65 0.02 0.00 0.00 176.95 176.41 1fie s GLN 393 N 0.62 3.40 0.01 4.98 -1.52 0.43 -1.05 119.66 126.52 1fie s GLN 393 Ca 0.33 -0.63 -0.30 0.00 -1.95 0.00 0.00 55.36 52.81 1fie s GLN 393 Cb -0.17 -2.92 -0.04 0.00 -0.22 0.00 0.00 33.01 29.66 1fie s GLN 393 CO 0.15 -0.08 1.09 0.00 -0.25 0.00 0.00 175.29 176.20 1fie s ALA 394 N 1.15 3.30 -0.04 6.09 0.00 -0.10 -1.46 121.76 130.71 1fie s ALA 394 Ca 0.02 0.65 0.01 0.00 0.00 0.00 0.00 51.96 52.64 1fie s ALA 394 Cb -0.14 -3.41 0.02 0.00 0.00 0.00 0.00 23.12 19.59 1fie s ALA 394 CO -0.01 -0.40 -0.05 0.08 0.00 0.00 0.00 175.76 175.38 1fie s VAL 395 N 1.25 0.58 -0.26 0.00 1.01 -0.27 -1.34 120.40 121.37 1fie s VAL 395 Ca 0.55 -0.16 0.03 0.00 0.00 0.00 0.00 61.98 62.39 1fie s VAL 395 Cb -0.24 -0.59 0.06 0.00 0.00 0.00 0.00 36.38 35.60 1fie s VAL 395 CO 0.27 0.23 -0.11 -0.62 0.00 0.00 0.00 175.10 174.87 1fie s ASP 396 N 0.82 4.37 0.00 3.32 -1.08 0.05 -1.24 116.67 122.91 1fie s ASP 396 Ca -0.11 -1.36 0.16 0.00 -0.52 0.00 0.00 52.55 50.71 1fie s ASP 396 Cb -0.14 -1.53 0.65 0.00 -1.46 0.00 0.00 42.92 40.45 1fie s ASP 396 CO 0.01 -0.19 1.46 -1.54 0.52 0.00 0.00 175.17 175.43 1fie n SER 397 N 4.45 1.09 -4.54 -0.34 3.41 -1.26 -0.88 113.62 115.55 1fie n SER 397 Ca -0.14 -1.73 -0.43 0.00 -0.26 0.00 0.00 58.87 56.31 1fie n SER 397 Cb 0.42 -0.09 -0.06 0.00 -0.26 0.00 0.00 64.21 64.22 1fie n SER 397 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1fie s THR 398 N -1.81 4.74 1.01 6.66 2.01 -1.26 -4.37 115.64 122.61 1fie s THR 398 Ca 0.25 0.41 -0.15 0.00 0.31 0.00 0.00 61.69 62.51 1fie s THR 398 Cb 0.13 -4.24 0.03 0.00 0.01 0.00 0.00 72.50 68.43 1fie s THR 398 CO 0.20 -0.60 0.11 -2.65 -0.69 0.00 0.00 174.62 170.99 1fie n PRO 399 N 6.46 -0.63 -3.62 4.92 -0.02 -1.26 -4.67 135.00 136.17 1fie n PRO 399 Ca 0.01 -0.16 -0.04 0.00 -2.02 0.00 0.00 63.50 61.30 1fie n PRO 399 Cb 0.48 -1.71 -0.01 0.00 -0.02 0.00 0.00 33.50 32.24 1fie n PRO 399 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 1fie s GLN 400 N -3.38 0.72 -0.37 -0.52 0.74 -0.95 -4.88 119.66 111.03 1fie s GLN 400 Ca 0.54 -0.35 -0.23 0.00 0.05 0.00 0.00 55.36 55.38 1fie s GLN 400 Cb -0.17 0.28 0.01 0.00 1.10 0.00 0.00 33.01 34.23 1fie s GLN 400 CO 0.68 -0.33 0.76 -1.21 -0.55 0.00 0.00 175.29 174.65 1fie s GLU 401 N -2.86 3.70 0.00 1.67 0.41 -1.26 -0.70 118.70 119.67 1fie s GLU 401 Ca 0.10 0.23 0.00 0.00 -0.41 0.00 0.00 54.97 54.89 1fie s GLU 401 Cb 0.00 -3.83 0.00 0.00 -1.78 0.00 0.00 34.13 28.53 1fie s GLU 401 CO -0.04 -0.87 0.00 0.27 -0.49 0.00 0.00 175.26 174.14 1fie n ASN 402 N 6.41 0.27 0.25 -0.19 0.23 0.85 -4.44 115.26 118.65 1fie n ASN 402 Ca 0.02 0.00 0.15 0.00 -0.53 0.00 0.00 54.58 54.22 1fie n ASN 402 Cb 0.48 0.00 0.50 0.00 -2.08 0.00 0.00 39.78 38.69 1fie n ASN 402 CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 1fie h SER 403 N 0.00 0.00 0.00 0.53 4.64 -1.98 -3.23 113.55 113.51 1fie h SER 403 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1fie h SER 403 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1fie h SER 403 CO 0.00 0.03 -1.09 0.47 -0.87 0.00 0.00 176.83 175.37 1fie n ASP 404 N -3.13 0.83 0.00 4.97 8.00 -1.26 -5.09 116.55 120.87 1fie n ASP 404 Ca 0.02 -0.79 0.00 0.00 0.71 0.00 0.00 54.79 54.73 1fie n ASP 404 Cb 0.39 1.16 0.00 0.00 -0.02 0.00 0.00 41.12 42.65 1fie n ASP 404 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1fie n GLY 405 N 1.44 0.55 3.44 0.44 0.00 -1.22 -4.96 105.19 104.87 1fie n GLY 405 Ca 0.02 -1.68 -0.44 0.00 0.00 0.00 0.00 46.02 43.92 1fie n GLY 405 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1fie s MET 406 N -1.40 3.66 0.26 1.61 -2.45 -1.25 -0.10 119.30 119.62 1fie s MET 406 Ca 0.00 -1.95 0.02 0.00 -1.25 0.00 0.00 55.69 52.51 1fie s MET 406 Cb 0.00 -4.87 -0.04 0.00 1.25 0.00 0.00 34.83 31.17 1fie s MET 406 CO 0.00 -1.71 0.16 0.71 1.05 0.00 0.00 175.02 175.23 1fie s TYR 407 N 2.23 1.43 0.77 4.11 2.02 0.13 -4.64 117.35 123.39 1fie s TYR 407 Ca 0.32 -1.42 -0.13 0.00 -0.37 0.00 0.00 57.07 55.47 1fie s TYR 407 Cb -0.05 -0.70 0.06 0.00 -0.40 0.00 0.00 41.96 40.87 1fie s TYR 407 CO -0.08 -0.63 1.17 -0.98 -1.57 0.00 0.00 175.55 173.45 1fie s ARG 408 N -3.92 1.99 -0.05 -0.62 1.04 -1.26 -2.23 118.95 113.90 1fie s ARG 408 Ca 0.38 1.59 0.04 0.00 -1.04 0.00 0.00 55.73 56.71 1fie s ARG 408 Cb 0.06 -1.83 -0.02 0.00 -2.04 0.00 0.00 34.95 31.11 1fie s ARG 408 CO 0.17 -1.91 -0.18 0.00 -0.04 0.00 0.00 175.30 173.34 1fie n GLY 410 N 2.53 -2.32 3.68 0.00 0.00 -1.24 -0.77 105.19 107.07 1fie n GLY 410 Ca -0.17 -2.10 -0.42 0.00 0.00 0.00 0.00 46.02 43.33 1fie n GLY 410 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1fie s PRO 411 N -0.34 4.14 -0.11 1.61 0.04 -1.26 -4.79 135.00 134.29 1fie s PRO 411 Ca 0.00 2.59 -0.02 0.00 0.04 0.00 0.00 61.00 63.60 1fie s PRO 411 Cb 0.00 -3.83 -0.03 0.00 0.04 0.00 0.00 34.50 30.68 1fie s PRO 411 CO 0.00 -0.89 -0.02 0.00 0.04 0.00 0.00 177.00 176.13 1fie s ALA 412 N 3.46 3.14 -0.18 8.56 0.00 -0.45 -4.29 121.76 132.01 1fie s ALA 412 Ca 0.84 -0.82 -0.29 0.00 0.00 0.00 0.00 51.96 51.69 1fie s ALA 412 Cb -0.44 -1.49 -0.04 0.00 0.00 0.00 0.00 23.12 21.15 1fie s ALA 412 CO 0.38 0.43 1.73 0.45 0.00 0.00 0.00 175.76 178.75 1fie s SER 413 N -0.35 6.31 0.53 0.00 0.15 -1.26 -0.92 113.70 118.15 1fie s SER 413 Ca 0.06 1.83 0.24 0.00 0.70 0.00 0.00 55.95 58.78 1fie s SER 413 Cb -0.12 -2.53 1.38 0.00 -1.71 0.00 0.00 66.02 63.04 1fie s SER 413 CO 0.02 -1.28 2.01 0.58 1.20 0.00 0.00 173.24 175.77 1fie h VAL 414 N 6.15 0.77 0.00 4.45 2.07 -1.40 0.30 116.25 128.59 1fie h VAL 414 Ca -0.37 -0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.06 1fie h VAL 414 Cb 1.17 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 31.70 1fie h VAL 414 CO 0.99 0.00 -0.43 1.56 0.02 0.00 0.00 177.57 179.71 1fie h GLN 415 N 0.00 0.00 -0.08 1.57 1.08 -1.85 -1.55 115.11 114.29 1fie h GLN 415 Ca 0.22 0.00 -0.12 0.00 -1.45 0.00 0.00 58.65 57.31 1fie h GLN 415 Cb 0.89 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 28.33 1fie h GLN 415 CO -0.00 0.43 -0.41 0.00 -0.95 0.00 0.00 178.83 177.90 1fie h ALA 416 N 1.57 0.15 0.47 3.87 0.00 -0.76 -3.19 119.26 121.38 1fie h ALA 416 Ca -0.00 -0.48 -0.01 0.00 0.00 0.00 0.00 54.91 54.42 1fie h ALA 416 Cb 0.79 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 1fie h ALA 416 CO 0.06 0.27 -0.50 0.82 0.00 0.00 0.00 179.25 179.90 1fie h ILE 417 N -0.05 0.00 -0.19 0.00 1.08 -1.11 0.44 117.51 117.67 1fie h ILE 417 Ca -0.03 0.00 0.06 0.00 -0.39 0.00 0.00 64.86 64.50 1fie h ILE 417 Cb 1.06 0.00 -0.01 0.00 -3.07 0.00 0.00 36.82 34.80 1fie h ILE 417 CO 0.08 0.00 0.59 0.50 -0.69 0.00 0.00 178.15 178.64 1fie h LYS 418 N -0.98 0.00 0.00 2.37 3.64 -1.36 -1.52 116.57 118.73 1fie h LYS 418 Ca -0.06 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 1fie h LYS 418 Cb 0.85 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.67 1fie h LYS 418 CO -0.08 0.00 -0.49 0.72 -2.27 0.00 0.00 179.45 177.34 1fie n HIS 419 N -3.01 0.00 -0.31 1.91 8.25 0.27 -4.73 115.22 117.60 1fie n HIS 419 Ca 0.03 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.49 1fie n HIS 419 Cb 0.68 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.78 1fie n HIS 419 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1fie n GLY 420 N 1.26 0.84 2.46 -1.41 0.00 0.13 -4.31 105.19 104.15 1fie n GLY 420 Ca 0.01 -0.09 -0.40 0.00 0.00 0.00 0.00 46.02 45.55 1fie n GLY 420 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1fie n HIS 421 N -2.31 2.58 1.37 1.61 8.25 -0.77 -2.90 115.22 123.05 1fie n HIS 421 Ca 0.00 -2.91 0.01 0.00 -0.26 0.00 0.00 57.72 54.57 1fie n HIS 421 Cb 0.00 -2.05 0.09 0.00 1.12 0.00 0.00 29.99 29.15 1fie n HIS 421 CO 0.00 0.00 0.00 1.33 0.64 0.00 0.00 176.34 178.31 1fie n VAL 422 N 2.42 0.00 1.12 1.59 0.24 -1.26 -2.11 118.33 120.33 1fie n VAL 422 Ca 0.66 0.00 0.13 0.00 -2.04 0.00 0.00 64.34 63.09 1fie n VAL 422 Cb 0.25 -0.22 0.37 0.00 -1.47 0.00 0.00 33.84 32.77 1fie n VAL 422 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1fie s PHE 424 N -2.79 3.36 0.82 0.00 0.08 -0.90 -4.99 117.98 113.57 1fie s PHE 424 Ca 0.17 0.91 -0.17 0.00 0.12 0.00 0.00 56.93 57.97 1fie s PHE 424 Cb 0.18 -2.80 -0.14 0.00 -0.57 0.00 0.00 43.02 39.69 1fie s PHE 424 CO 0.60 -0.20 -0.59 0.00 -0.10 0.00 0.00 175.22 174.93 1fie n GLN 425 N 5.16 0.00 -1.36 0.44 10.64 -1.26 -4.28 117.38 126.72 1fie n GLN 425 Ca -0.01 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.16 1fie n GLN 425 Cb 0.50 -0.96 0.00 0.00 -0.86 0.00 0.00 30.24 28.92 1fie n GLN 425 CO 0.00 0.00 0.00 1.19 -1.83 0.00 0.00 177.06 176.42 1fie n PHE 426 N -2.12 0.00 -1.95 2.61 3.72 -1.26 -4.58 117.46 113.88 1fie n PHE 426 Ca 0.01 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.41 1fie n PHE 426 Cb 0.51 -1.36 0.00 0.00 -0.94 0.00 0.00 39.48 37.69 1fie n PHE 426 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 1fie n ASP 427 N -0.82 -0.68 -0.46 4.37 8.00 -1.26 -3.51 116.55 122.18 1fie n ASP 427 Ca 0.00 0.34 0.38 0.00 0.71 0.00 0.00 54.79 56.22 1fie n ASP 427 Cb 0.37 -0.78 0.67 0.00 -0.02 0.00 0.00 41.12 41.36 1fie n ASP 427 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1fie h ALA 428 N 1.29 2.88 -0.72 2.24 0.00 -1.82 -1.42 119.26 121.71 1fie h ALA 428 Ca 0.00 0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 1fie h ALA 428 Cb 0.68 0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.62 1fie h ALA 428 CO 0.00 -1.47 0.23 -1.35 0.00 0.00 0.00 179.25 176.66 1fie h PRO 429 N 0.09 1.11 0.00 0.00 0.11 -1.88 -2.31 132.00 129.12 1fie h PRO 429 Ca 0.81 -0.24 0.00 0.00 0.11 0.00 0.00 66.00 66.68 1fie h PRO 429 Cb 2.65 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 33.59 1fie h PRO 429 CO -0.33 0.95 0.00 1.19 -0.21 0.00 0.00 178.00 179.60 1fie n PHE 430 N -4.29 0.09 -0.07 0.65 3.01 -0.53 -2.03 117.46 114.28 1fie n PHE 430 Ca 0.06 0.04 -0.05 0.00 1.01 0.00 0.00 57.45 58.50 1fie n PHE 430 Cb 0.22 -0.56 -0.15 0.00 -0.01 0.00 0.00 39.48 38.99 1fie n PHE 430 CO 0.00 0.00 0.00 1.33 1.01 0.00 0.00 176.76 179.10 1fie n VAL 431 N -1.58 0.96 0.13 -4.37 0.24 -1.06 -3.82 118.33 108.83 1fie n VAL 431 Ca 0.03 -0.70 -0.13 0.00 -2.04 0.00 0.00 64.34 61.50 1fie n VAL 431 Cb 0.15 -0.38 -0.07 0.00 -1.47 0.00 0.00 33.84 32.07 1fie n VAL 431 CO 0.00 0.00 0.00 0.15 -2.14 0.00 0.00 176.83 174.84 1fie h PHE 432 N 0.00 -0.30 -0.24 6.34 3.04 -0.86 -2.72 116.94 122.20 1fie h PHE 432 Ca -0.38 -0.00 0.05 0.00 3.98 0.00 0.00 57.97 61.62 1fie h PHE 432 Cb 1.84 0.11 -0.05 0.00 2.56 0.00 0.00 35.95 40.41 1fie h PHE 432 CO 0.00 -0.18 -0.05 0.00 -2.02 0.00 0.00 178.31 176.06 1fie h ALA 433 N 0.54 0.17 -1.00 2.41 0.00 -1.60 0.24 119.26 120.02 1fie h ALA 433 Ca -0.01 0.09 0.41 0.00 0.00 0.00 0.00 54.91 55.40 1fie h ALA 433 Cb 0.25 0.17 -0.18 0.00 0.00 0.00 0.00 17.79 18.03 1fie h ALA 433 CO 0.00 -0.46 0.51 0.93 0.00 0.00 0.00 179.25 180.23 1fie h GLU 434 N 0.01 0.01 0.00 0.00 4.39 -1.54 -0.52 114.58 116.94 1fie h GLU 434 Ca 0.12 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.82 1fie h GLU 434 Cb 0.17 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.82 1fie h GLU 434 CO -0.24 0.01 -1.72 0.28 -1.16 0.00 0.00 179.01 176.17 1fie n VAL 435 N -5.27 0.00 -0.29 3.13 0.31 -0.81 -1.88 118.33 113.52 1fie n VAL 435 Ca 0.37 -0.37 0.03 0.00 -0.01 0.00 0.00 64.34 64.36 1fie n VAL 435 Cb 1.25 0.24 0.07 0.00 -0.91 0.00 0.00 33.84 34.49 1fie n VAL 435 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1fie n ASN 436 N -2.05 2.35 -4.76 4.52 3.02 0.01 -3.90 115.26 114.45 1fie n ASN 436 Ca -0.02 -2.26 -0.35 0.00 -0.03 0.00 0.00 54.58 51.92 1fie n ASN 436 Cb 0.49 -0.15 0.03 0.00 -0.61 0.00 0.00 39.78 39.54 1fie n ASN 436 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1fie s SER 437 N -1.40 5.20 0.17 6.41 0.01 -0.95 -4.95 113.70 118.20 1fie s SER 437 Ca 0.13 2.30 0.00 0.00 1.31 0.00 0.00 55.95 59.70 1fie s SER 437 Cb 0.09 -2.59 -0.04 0.00 0.21 0.00 0.00 66.02 63.69 1fie s SER 437 CO 0.04 -1.58 0.34 -1.81 0.41 0.00 0.00 173.24 170.64 1fie s ASP 438 N -1.76 6.37 -0.22 2.44 1.01 0.06 -4.37 116.67 120.19 1fie s ASP 438 Ca 0.75 0.31 -0.09 0.00 0.71 0.00 0.00 52.55 54.24 1fie s ASP 438 Cb -0.28 -1.97 -0.04 0.00 1.01 0.00 0.00 42.92 41.64 1fie s ASP 438 CO 0.34 0.00 0.11 -0.76 0.21 0.00 0.00 175.17 175.07 1fie s LEU 439 N -3.24 3.86 -0.17 1.23 1.43 0.07 0.08 118.68 121.95 1fie s LEU 439 Ca 0.37 0.03 0.00 0.00 -1.03 0.00 0.00 54.13 53.50 1fie s LEU 439 Cb -0.11 -2.02 0.01 0.00 0.03 0.00 0.00 46.19 44.10 1fie s LEU 439 CO 0.29 0.08 -0.16 -0.63 0.23 0.00 0.00 176.35 176.15 1fie s ILE 440 N 0.97 2.51 -0.47 -0.59 -1.09 0.10 0.34 121.20 122.98 1fie s ILE 440 Ca 0.06 -0.81 -0.16 0.00 -2.23 0.00 0.00 60.65 57.50 1fie s ILE 440 Cb -0.14 -2.07 0.06 0.00 -1.58 0.00 0.00 42.46 38.74 1fie s ILE 440 CO 0.03 0.51 0.44 -0.31 -1.23 0.00 0.00 174.94 174.39 1fie s TYR 441 N 1.04 3.19 -0.20 3.97 2.02 0.89 -0.01 117.35 128.25 1fie s TYR 441 Ca -0.01 -0.74 -0.04 0.00 -0.37 0.00 0.00 57.07 55.90 1fie s TYR 441 Cb -0.15 -3.17 -0.02 0.00 -0.40 0.00 0.00 41.96 38.23 1fie s TYR 441 CO -0.04 -0.82 -0.03 0.42 -1.57 0.00 0.00 175.55 173.51 1fie s ILE 442 N 1.93 3.70 -0.10 2.71 1.01 -0.61 -0.08 121.20 129.76 1fie s ILE 442 Ca 0.08 -0.40 -0.28 0.00 0.00 0.00 0.00 60.65 60.05 1fie s ILE 442 Cb -0.22 -2.66 -0.02 0.00 0.01 0.00 0.00 42.46 39.57 1fie s ILE 442 CO 0.09 0.44 0.91 -0.89 0.00 0.00 0.00 174.94 175.49 1fie s THR 443 N 1.04 4.86 -0.51 2.92 2.01 0.23 -1.05 115.64 125.14 1fie s THR 443 Ca 0.01 1.85 -0.15 0.00 0.31 0.00 0.00 61.69 63.71 1fie s THR 443 Cb -0.15 -4.23 0.11 0.00 0.01 0.00 0.00 72.50 68.25 1fie s THR 443 CO 0.01 0.07 0.44 0.00 -0.69 0.00 0.00 174.62 174.45 1fie s ALA 444 N 1.75 3.59 0.37 7.40 0.00 -0.32 -1.26 121.76 133.28 1fie s ALA 444 Ca 0.44 -2.38 -0.26 0.00 0.00 0.00 0.00 51.96 49.76 1fie s ALA 444 Cb -0.18 -3.15 -0.09 0.00 0.00 0.00 0.00 23.12 19.71 1fie s ALA 444 CO 0.18 -1.90 1.17 0.15 0.00 0.00 0.00 175.76 175.36 1fie s LYS 445 N 1.59 4.20 0.00 0.00 1.02 -0.39 -4.38 119.74 121.78 1fie s LYS 445 Ca 0.04 1.88 0.00 0.00 0.02 0.00 0.00 55.97 57.90 1fie s LYS 445 Cb -0.28 -2.81 0.00 0.00 -0.52 0.00 0.00 37.83 34.22 1fie s LYS 445 CO 0.04 -0.21 0.50 1.63 -0.92 0.00 0.00 175.35 176.39 1fie n LYS 446 N 0.36 0.00 -0.39 1.68 5.02 -1.26 -0.87 118.16 122.70 1fie n LYS 446 Ca 0.03 0.10 0.08 0.00 -2.02 0.00 0.00 58.31 56.50 1fie n LYS 446 Cb 0.46 -1.54 0.25 0.00 -0.02 0.00 0.00 35.03 34.17 1fie n LYS 446 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1fie n ASP 447 N -1.00 3.77 0.00 4.39 5.75 -1.26 -4.94 116.55 123.26 1fie n ASP 447 Ca 0.00 -2.47 0.00 0.00 -0.01 0.00 0.00 54.79 52.31 1fie n ASP 447 Cb 0.04 -0.43 0.00 0.00 -1.03 0.00 0.00 41.12 39.70 1fie n ASP 447 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1fie n GLY 448 N 0.33 0.56 3.97 6.12 0.00 -0.05 -5.05 105.19 111.07 1fie n GLY 448 Ca 0.19 -0.28 -0.21 0.00 0.00 0.00 0.00 46.02 45.72 1fie n GLY 448 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1fie s THR 449 N -2.00 4.11 0.03 2.61 2.01 -1.21 -4.96 115.64 116.24 1fie s THR 449 Ca 0.00 -0.78 0.01 0.00 0.31 0.00 0.00 61.69 61.23 1fie s THR 449 Cb 0.00 -3.46 -0.02 0.00 0.01 0.00 0.00 72.50 69.03 1fie s THR 449 CO 0.00 -0.24 -0.05 -1.00 -0.69 0.00 0.00 174.62 172.63 1fie s HIS 450 N -2.32 0.47 -0.13 4.92 3.76 -1.26 -1.26 115.29 119.46 1fie s HIS 450 Ca 0.46 -0.46 -0.09 0.00 -0.15 0.00 0.00 55.06 54.82 1fie s HIS 450 Cb -0.10 -0.30 0.04 0.00 1.11 0.00 0.00 32.58 33.34 1fie s HIS 450 CO 0.34 -0.11 0.34 0.54 -0.85 0.00 0.00 174.74 174.99 1fie s VAL 451 N -1.25 -0.02 0.01 -0.90 0.11 -0.39 -4.97 120.40 112.99 1fie s VAL 451 Ca -0.11 0.06 -0.18 0.00 -2.93 0.00 0.00 61.98 58.83 1fie s VAL 451 Cb -0.09 -0.49 -0.06 0.00 -1.53 0.00 0.00 36.38 34.21 1fie s VAL 451 CO -0.00 0.03 0.50 0.68 -3.33 0.00 0.00 175.10 172.98 1fie s VAL 452 N 0.79 4.93 -0.04 2.04 -7.23 -1.26 0.74 120.40 120.37 1fie s VAL 452 Ca -0.05 1.05 0.02 0.00 -1.81 0.00 0.00 61.98 61.19 1fie s VAL 452 Cb -0.06 -3.83 -0.04 0.00 0.56 0.00 0.00 36.38 33.02 1fie s VAL 452 CO -0.06 0.51 -0.02 -0.62 -0.31 0.00 0.00 175.10 174.61 1fie n GLU 453 N 2.18 1.57 -3.75 4.82 -0.58 0.89 -4.91 120.64 120.86 1fie n GLU 453 Ca -0.11 0.01 -0.13 0.00 -0.42 0.00 0.00 57.16 56.52 1fie n GLU 453 Cb 0.51 -1.09 -0.08 0.00 -0.57 0.00 0.00 31.44 30.21 1fie n GLU 453 CO 0.00 0.00 0.00 1.21 -0.48 0.00 0.00 177.13 177.86 1fie s ASN 454 N -4.00 -0.20 -0.07 1.62 3.84 -1.13 -1.89 114.94 113.10 1fie s ASN 454 Ca -0.04 0.07 -0.01 0.00 0.21 0.00 0.00 52.86 53.09 1fie s ASN 454 Cb 0.01 0.33 0.03 0.00 -0.55 0.00 0.00 41.25 41.07 1fie s ASN 454 CO 0.12 -0.49 -0.02 0.54 -2.79 0.00 0.00 177.10 174.47 1fie s VAL 455 N -1.54 0.49 -0.45 -5.21 0.11 -1.25 -0.08 120.40 112.49 1fie s VAL 455 Ca -0.12 0.03 -0.13 0.00 -2.93 0.00 0.00 61.98 58.83 1fie s VAL 455 Cb -0.04 -0.61 0.07 0.00 -1.53 0.00 0.00 36.38 34.26 1fie s VAL 455 CO 0.03 0.27 0.34 -0.62 -3.33 0.00 0.00 175.10 171.79 1fie s ASP 456 N 1.79 5.97 -0.07 3.54 -1.08 0.15 -4.88 116.67 122.09 1fie s ASP 456 Ca 0.03 -1.32 0.11 0.00 -0.52 0.00 0.00 52.55 50.85 1fie s ASP 456 Cb -0.13 -2.11 0.45 0.00 -1.46 0.00 0.00 42.92 39.67 1fie s ASP 456 CO -0.05 -0.58 1.30 0.00 0.52 0.00 0.00 175.17 176.35 1fie n ALA 457 N 5.10 2.89 -1.83 3.66 0.00 -1.26 -0.75 120.51 128.32 1fie n ALA 457 Ca -0.12 -0.98 0.03 0.00 0.00 0.00 0.00 53.44 52.38 1fie n ALA 457 Cb 0.44 -1.02 0.05 0.00 0.00 0.00 0.00 19.45 18.92 1fie n ALA 457 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1fie n THR 458 N 0.60 0.59 -0.13 0.00 -2.24 -1.26 -4.88 114.28 106.96 1fie n THR 458 Ca 0.16 -0.89 -0.28 0.00 -2.27 0.00 0.00 64.05 60.77 1fie n THR 458 Cb 0.60 0.35 -0.09 0.00 -2.10 0.00 0.00 70.33 69.09 1fie n THR 458 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 1fie n HIS 459 N -0.34 0.00 -2.12 4.78 -0.00 -1.26 -4.77 115.22 111.52 1fie n HIS 459 Ca 0.06 0.00 -0.41 0.00 0.46 0.00 0.00 57.72 57.83 1fie n HIS 459 Cb 0.75 -0.94 -0.02 0.00 -0.12 0.00 0.00 29.99 29.66 1fie n HIS 459 CO 0.00 0.00 0.00 0.42 0.46 0.00 0.00 176.34 177.22 1fie s ILE 460 N -2.48 2.73 -1.39 3.57 -1.09 -1.26 -3.42 121.20 117.86 1fie s ILE 460 Ca -0.37 0.73 -0.06 0.00 -2.23 0.00 0.00 60.65 58.72 1fie s ILE 460 Cb 0.14 -3.46 0.03 0.00 -1.58 0.00 0.00 42.46 37.59 1fie s ILE 460 CO 0.46 0.17 0.88 0.61 -1.23 0.00 0.00 174.94 175.83 1fie n GLY 461 N 0.89 -0.40 0.21 6.18 0.00 0.64 -4.76 105.19 107.94 1fie n GLY 461 Ca 0.00 0.16 0.07 0.00 0.00 0.00 0.00 46.02 46.25 1fie n GLY 461 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1fie h LYS 462 N -2.04 0.00 -2.02 1.61 3.64 -1.49 -3.44 116.57 112.82 1fie h LYS 462 Ca -0.59 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 58.76 1fie h LYS 462 Cb 1.37 0.00 -0.21 0.00 -0.41 0.00 0.00 32.23 32.97 1fie h LYS 462 CO 0.60 0.31 0.08 -1.17 -2.27 0.00 0.00 179.45 177.00 1fie s LEU 463 N -7.38 -0.78 -0.07 5.20 2.96 -1.26 -5.04 118.68 112.31 1fie s LEU 463 Ca -0.01 1.45 0.04 0.00 -0.22 0.00 0.00 54.13 55.39 1fie s LEU 463 Cb 0.12 2.41 0.00 0.00 0.50 0.00 0.00 46.19 49.22 1fie s LEU 463 CO 0.67 -0.24 -0.19 -0.63 -1.32 0.00 0.00 176.35 174.64 1fie s ILE 464 N 0.81 1.59 0.08 6.68 1.01 -1.26 -1.15 121.20 128.96 1fie s ILE 464 Ca -0.03 -0.77 -0.01 0.00 0.00 0.00 0.00 60.65 59.84 1fie s ILE 464 Cb -0.05 -1.39 -0.04 0.00 0.01 0.00 0.00 42.46 40.99 1fie s ILE 464 CO -0.06 0.46 -0.02 0.54 0.00 0.00 0.00 174.94 175.86 1fie s VAL 465 N 0.30 0.28 0.10 2.92 0.11 -0.31 -2.96 120.40 120.84 1fie s VAL 465 Ca -0.12 -1.85 -0.21 0.00 -2.93 0.00 0.00 61.98 56.87 1fie s VAL 465 Cb -0.15 -1.67 0.05 0.00 -1.53 0.00 0.00 36.38 33.08 1fie s VAL 465 CO 0.05 -0.85 0.52 0.28 -3.33 0.00 0.00 175.10 171.77 1fie s THR 466 N -3.90 0.03 0.30 5.04 -1.32 -0.52 -1.34 115.64 113.93 1fie s THR 466 Ca 0.12 -0.24 -0.29 0.00 -1.21 0.00 0.00 61.69 60.06 1fie s THR 466 Cb 0.07 -1.04 -0.13 0.00 -1.51 0.00 0.00 72.50 69.90 1fie s THR 466 CO -0.06 -0.13 1.33 1.17 -2.21 0.00 0.00 174.62 174.72 1fie n LYS 467 N -0.02 2.08 -2.01 7.08 4.81 -1.26 0.65 118.16 129.50 1fie n LYS 467 Ca -0.17 0.73 -0.32 0.00 -0.87 0.00 0.00 58.31 57.68 1fie n LYS 467 Cb 0.63 -2.34 0.01 0.00 0.02 0.00 0.00 35.03 33.35 1fie n LYS 467 CO 0.00 0.00 0.00 1.14 1.17 0.00 0.00 177.40 179.71 1fie s GLN 468 N -1.25 3.34 0.27 1.64 -2.07 0.01 -4.66 119.66 116.94 1fie s GLN 468 Ca 0.61 1.12 -0.03 0.00 -1.82 0.00 0.00 55.36 55.24 1fie s GLN 468 Cb -0.60 -2.04 0.37 0.00 -1.09 0.00 0.00 33.01 29.65 1fie s GLN 468 CO 0.57 -0.79 1.87 0.82 -1.32 0.00 0.00 175.29 176.44 1fie h ILE 469 N 0.29 1.23 0.00 3.63 2.04 -1.93 -3.35 117.51 119.42 1fie h ILE 469 Ca -0.46 -0.65 0.00 0.00 1.00 0.00 0.00 64.86 64.74 1fie h ILE 469 Cb 1.21 0.35 0.00 0.00 -0.74 0.00 0.00 36.82 37.64 1fie h ILE 469 CO 0.58 0.27 0.00 0.61 0.00 0.00 0.00 178.15 179.61 1fie n GLY 470 N -1.07 -1.67 0.00 5.37 0.00 -1.26 -4.85 105.19 101.71 1fie n GLY 470 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1fie n GLY 470 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fie n GLY 471 N 0.58 4.04 0.40 -0.02 0.00 -1.26 -4.99 105.19 103.94 1fie n GLY 471 Ca 0.00 -1.87 0.00 0.00 0.00 0.00 0.00 46.02 44.15 1fie n GLY 471 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1fie n ASP 472 N 0.00 0.79 -3.91 1.61 8.00 -1.26 -3.68 116.55 118.10 1fie n ASP 472 Ca 0.00 -2.00 -0.30 0.00 0.71 0.00 0.00 54.79 53.20 1fie n ASP 472 Cb 0.00 -0.40 0.22 0.00 -0.02 0.00 0.00 41.12 40.92 1fie n ASP 472 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1fie s GLY 473 N -0.21 1.69 0.25 0.44 0.00 -1.26 -4.81 107.32 103.41 1fie s GLY 473 Ca 0.00 -1.11 0.08 0.00 0.00 0.00 0.00 44.72 43.69 1fie s GLY 473 CO 0.00 -0.27 0.09 -3.16 0.00 0.00 0.00 173.10 169.77 1fie s MET 474 N -5.67 2.61 -0.02 2.90 0.23 -1.26 -0.81 119.30 117.28 1fie s MET 474 Ca 0.73 -1.20 0.03 0.00 -1.03 0.00 0.00 55.69 54.21 1fie s MET 474 Cb -0.06 -2.38 0.00 0.00 -1.53 0.00 0.00 34.83 30.86 1fie s MET 474 CO 0.55 0.39 -0.09 1.41 -2.03 0.00 0.00 175.02 175.25 1fie s MET 475 N -3.66 0.98 -1.21 3.16 0.00 0.21 -4.58 119.30 114.20 1fie s MET 475 Ca 0.32 -0.32 -0.14 0.00 0.00 0.00 0.00 55.69 55.55 1fie s MET 475 Cb -0.07 -0.92 0.17 0.00 0.00 0.00 0.00 34.83 34.01 1fie s MET 475 CO 0.22 0.13 1.44 -3.47 0.00 0.00 0.00 175.02 173.34 1fie n ASP 476 N 3.24 5.23 -0.96 1.11 -0.08 -1.26 -1.43 116.55 122.39 1fie n ASP 476 Ca -0.18 -2.98 -0.01 0.00 -1.51 0.00 0.00 54.79 50.11 1fie n ASP 476 Cb 0.54 -1.57 0.03 0.00 2.34 0.00 0.00 41.12 42.47 1fie n ASP 476 CO 0.00 0.00 0.00 2.30 0.12 0.00 0.00 177.20 179.62 1fie n ILE 477 N 4.56 0.91 -0.02 5.18 -5.35 -1.15 -4.35 119.36 119.14 1fie n ILE 477 Ca 0.37 -0.21 -0.10 0.00 -0.27 0.00 0.00 62.75 62.54 1fie n ILE 477 Cb 0.43 -0.76 -0.04 0.00 -1.74 0.00 0.00 39.64 37.53 1fie n ILE 477 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 1fie h THR 478 N 0.26 1.00 0.00 7.28 2.02 -1.86 -2.38 112.91 119.23 1fie h THR 478 Ca 0.05 -0.06 0.00 0.00 0.77 0.00 0.00 66.41 67.17 1fie h THR 478 Cb 1.02 0.82 0.00 0.00 -1.74 0.00 0.00 68.15 68.24 1fie h THR 478 CO 0.10 0.03 0.00 -0.90 0.37 0.00 0.00 175.52 175.13 1fie n ASP 479 N -5.02 0.00 0.07 4.18 5.68 -1.26 -1.92 116.55 118.28 1fie n ASP 479 Ca -0.04 -1.32 0.12 0.00 -0.50 0.00 0.00 54.79 53.06 1fie n ASP 479 Cb 0.05 0.00 0.17 0.00 -1.14 0.00 0.00 41.12 40.20 1fie n ASP 479 CO 0.00 0.00 0.00 0.71 -1.33 0.00 0.00 177.20 176.58 1fie h THR 480 N 0.00 0.00 0.00 2.12 1.35 -1.75 -3.35 112.91 111.27 1fie h THR 480 Ca 0.00 -0.52 -0.04 0.00 -0.55 0.00 0.00 66.41 65.30 1fie h THR 480 Cb 0.00 1.12 -0.01 0.00 -1.73 0.00 0.00 68.15 67.53 1fie h THR 480 CO 0.00 0.00 -1.76 -1.22 -0.25 0.00 0.00 175.52 172.29 1fie n TYR 481 N -2.16 0.00 -3.45 4.73 4.02 -0.81 -4.53 117.16 114.97 1fie n TYR 481 Ca 0.03 0.00 -0.12 0.00 -0.01 0.00 0.00 57.90 57.80 1fie n TYR 481 Cb 0.45 -0.41 -0.03 0.00 -0.02 0.00 0.00 39.34 39.33 1fie n TYR 481 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 176.86 174.26 1fie s LYS 482 N -2.96 1.18 0.64 -0.72 -2.85 -1.17 -3.64 119.74 110.21 1fie s LYS 482 Ca -0.06 -0.35 -0.04 0.00 -1.00 0.00 0.00 55.97 54.51 1fie s LYS 482 Cb 0.09 0.54 0.05 0.00 -2.06 0.00 0.00 37.83 36.45 1fie s LYS 482 CO 0.64 -0.50 0.93 -0.06 0.10 0.00 0.00 175.35 176.46 1fie s PHE 483 N -3.32 2.96 0.52 1.78 0.40 -1.26 -4.23 117.98 114.81 1fie s PHE 483 Ca 0.00 0.35 -0.21 0.00 -0.60 0.00 0.00 56.93 56.48 1fie s PHE 483 Cb -0.01 -3.00 -0.06 0.00 0.51 0.00 0.00 43.02 40.46 1fie s PHE 483 CO -0.10 -1.17 1.19 1.14 0.70 0.00 0.00 175.22 176.98 1fie s GLN 484 N -5.08 3.42 0.52 0.44 -2.07 -1.26 -4.96 119.66 110.68 1fie s GLN 484 Ca 0.58 1.80 -0.23 0.00 -1.82 0.00 0.00 55.36 55.70 1fie s GLN 484 Cb -0.11 -2.19 -0.06 0.00 -1.09 0.00 0.00 33.01 29.57 1fie s GLN 484 CO 0.43 -0.84 1.37 -2.00 -1.32 0.00 0.00 175.29 172.93 1fie s GLU 485 N -3.00 3.29 0.00 9.60 -6.30 -1.26 -3.01 118.70 118.02 1fie s GLU 485 Ca 0.70 2.27 0.00 0.00 -2.50 0.00 0.00 54.97 55.44 1fie s GLU 485 Cb -0.29 -2.36 0.00 0.00 0.00 0.00 0.00 34.13 31.48 1fie s GLU 485 CO 0.34 -1.08 0.00 0.41 0.02 0.00 0.00 175.26 174.95 1fie n GLY 486 N 0.68 2.78 3.65 -1.50 0.00 -1.26 -5.04 105.19 104.51 1fie n GLY 486 Ca 0.09 -0.25 -0.35 0.00 0.00 0.00 0.00 46.02 45.51 1fie n GLY 486 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1fie n GLN 487 N 0.00 0.40 -0.07 1.61 6.02 -1.17 -4.90 117.38 119.27 1fie n GLN 487 Ca 0.00 0.20 -0.14 0.00 -0.01 0.00 0.00 57.00 57.05 1fie n GLN 487 Cb 0.00 -2.34 -0.05 0.00 1.02 0.00 0.00 30.24 28.86 1fie n GLN 487 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 177.06 177.54 1fie h GLU 488 N -0.51 0.69 -0.68 -1.09 4.57 -1.96 -2.26 114.58 113.34 1fie h GLU 488 Ca -0.47 -0.43 0.13 0.00 -1.18 0.00 0.00 59.36 57.41 1fie h GLU 488 Cb 1.32 0.05 -0.04 0.00 -0.16 0.00 0.00 28.75 29.91 1fie h GLU 488 CO 0.47 1.05 0.46 0.93 -1.18 0.00 0.00 179.01 180.73 1fie h GLU 489 N 0.40 0.38 -0.04 1.92 4.39 -1.95 0.23 114.58 119.92 1fie h GLU 489 Ca 0.01 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 1fie h GLU 489 Cb 1.01 -0.09 -0.00 0.00 -0.10 0.00 0.00 28.75 29.57 1fie h GLU 489 CO 0.09 0.25 -0.00 1.49 -1.16 0.00 0.00 179.01 179.68 1fie h GLU 490 N 0.39 0.07 -0.60 2.33 4.81 -1.76 0.15 114.58 119.97 1fie h GLU 490 Ca 0.33 -0.02 0.11 0.00 -0.13 0.00 0.00 59.36 59.65 1fie h GLU 490 Cb 0.73 -0.01 -0.09 0.00 0.63 0.00 0.00 28.75 30.02 1fie h GLU 490 CO -0.09 0.36 0.14 -0.09 -0.73 0.00 0.00 179.01 178.60 1fie h ARG 491 N -0.23 0.26 -0.19 1.92 2.43 -0.09 -2.00 114.38 116.49 1fie h ARG 491 Ca 0.01 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1fie h ARG 491 Cb 0.33 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.81 1fie h ARG 491 CO 0.00 0.17 0.11 -0.07 -1.51 0.00 0.00 179.97 178.68 1fie h LEU 492 N 0.27 0.23 -1.56 3.80 3.38 -0.56 -1.69 115.31 119.17 1fie h LEU 492 Ca 0.32 -0.05 0.01 0.00 0.09 0.00 0.00 57.88 58.25 1fie h LEU 492 Cb 0.47 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 1fie h LEU 492 CO -0.40 0.21 0.30 0.00 0.09 0.00 0.00 178.44 178.64 1fie h ALA 493 N 1.03 1.70 0.05 1.53 0.00 -0.48 -1.25 119.26 121.82 1fie h ALA 493 Ca 0.07 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1fie h ALA 493 Cb 0.03 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.64 1fie h ALA 493 CO -0.01 0.27 -0.02 1.25 0.00 0.00 0.00 179.25 180.74 1fie h LEU 494 N 0.60 -0.05 -1.88 0.00 5.85 -1.01 -2.24 115.31 116.58 1fie h LEU 494 Ca 0.17 -0.41 -0.00 0.00 0.84 0.00 0.00 57.88 58.48 1fie h LEU 494 Cb -0.04 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.00 1fie h LEU 494 CO -0.04 0.39 0.07 -0.33 -0.34 0.00 0.00 178.44 178.19 1fie h GLU 495 N -0.51 0.15 0.01 1.25 5.08 -0.98 -1.14 114.58 118.44 1fie h GLU 495 Ca -0.01 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1fie h GLU 495 Cb 0.46 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.67 1fie h GLU 495 CO 0.01 0.11 -0.00 1.15 -1.00 0.00 0.00 179.01 179.27 1fie h THR 496 N 0.15 1.40 -0.59 1.13 2.02 -1.19 -2.85 112.91 112.98 1fie h THR 496 Ca 0.04 -1.23 0.07 0.00 0.77 0.00 0.00 66.41 66.06 1fie h THR 496 Cb -0.01 2.22 -0.06 0.00 -1.74 0.00 0.00 68.15 68.57 1fie h THR 496 CO -0.01 0.32 0.28 0.00 0.37 0.00 0.00 175.52 176.48 1fie h ALA 497 N 0.44 0.78 -0.50 6.16 0.00 -0.99 0.13 119.26 125.28 1fie h ALA 497 Ca -0.00 0.05 0.14 0.00 0.00 0.00 0.00 54.91 55.10 1fie h ALA 497 Cb 0.53 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1fie h ALA 497 CO 0.00 -0.10 0.42 -0.07 0.00 0.00 0.00 179.25 179.51 1fie h LEU 498 N 0.51 0.00 -0.02 0.00 -0.00 -1.18 -0.41 115.31 114.21 1fie h LEU 498 Ca 0.28 0.00 -0.26 0.00 -0.00 0.00 0.00 57.88 57.90 1fie h LEU 498 Cb 0.25 0.00 0.02 0.00 -0.00 0.00 0.00 40.66 40.93 1fie h LEU 498 CO -0.23 0.00 -1.06 0.24 -0.00 0.00 0.00 178.44 177.40 1fie h MET 499 N 0.00 0.61 -1.80 1.13 2.86 -0.50 -3.34 114.93 113.89 1fie h MET 499 Ca 0.24 -0.69 -0.65 0.00 -2.06 0.00 0.00 59.70 56.54 1fie h MET 499 Cb 1.08 0.20 -0.24 0.00 0.06 0.00 0.00 31.60 32.71 1fie h MET 499 CO -0.00 1.28 0.81 0.66 1.06 0.00 0.00 176.91 180.72 1fie n TYR 500 N -3.81 2.55 -0.14 -0.22 4.01 -0.20 -4.89 117.16 114.46 1fie n TYR 500 Ca -0.10 -2.31 0.00 0.00 -0.16 0.00 0.00 57.90 55.33 1fie n TYR 500 Cb 0.89 -1.27 0.00 0.00 -0.31 0.00 0.00 39.34 38.65 1fie n TYR 500 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1fie n GLY 501 N -0.16 1.72 3.75 2.72 0.00 -1.20 -4.63 105.19 107.38 1fie n GLY 501 Ca 0.52 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 46.14 1fie n GLY 501 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fie s ALA 502 N -2.80 3.39 0.06 4.61 0.00 -0.98 -4.97 121.76 121.06 1fie s ALA 502 Ca 0.00 0.84 0.08 0.00 0.00 0.00 0.00 51.96 52.87 1fie s ALA 502 Cb 0.00 -3.32 -0.03 0.00 0.00 0.00 0.00 23.12 19.77 1fie s ALA 502 CO 0.00 -0.13 -0.21 -1.59 0.00 0.00 0.00 175.76 173.83 1fie s LYS 503 N -1.03 1.35 -0.63 0.00 -2.85 -0.99 -4.30 119.74 111.28 1fie s LYS 503 Ca 0.46 -1.00 0.05 0.00 -1.00 0.00 0.00 55.97 54.48 1fie s LYS 503 Cb -0.30 -1.51 0.16 0.00 -2.06 0.00 0.00 37.83 34.12 1fie s LYS 503 CO 0.38 0.38 0.43 0.15 0.10 0.00 0.00 175.35 176.78 1fie s LYS 504 N -1.34 2.17 0.60 1.78 1.02 -1.26 -0.60 119.74 122.11 1fie s LYS 504 Ca 0.08 -3.04 0.29 0.00 0.02 0.00 0.00 55.97 53.31 1fie s LYS 504 Cb -0.09 -3.15 1.61 0.00 -0.52 0.00 0.00 37.83 35.68 1fie s LYS 504 CO 0.02 -1.26 2.03 -1.00 -0.92 0.00 0.00 175.35 174.22 1fie h PRO 505 N 5.66 0.00 -4.90 -1.68 0.13 -1.97 -3.37 132.00 125.87 1fie h PRO 505 Ca 0.11 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 64.57 1fie h PRO 505 Cb 0.80 0.00 -0.31 0.00 0.13 0.00 0.00 31.00 31.62 1fie h PRO 505 CO 0.67 0.00 -0.73 -0.51 -0.23 0.00 0.00 178.00 177.20 1fie s LEU 506 N -7.37 3.22 0.62 1.56 1.43 -1.26 -5.08 118.68 111.80 1fie s LEU 506 Ca -0.04 -0.81 -0.17 0.00 -1.03 0.00 0.00 54.13 52.08 1fie s LEU 506 Cb 0.15 -1.69 -0.02 0.00 0.03 0.00 0.00 46.19 44.66 1fie s LEU 506 CO 0.52 -0.12 1.11 0.21 0.23 0.00 0.00 176.35 178.30 1fie s ASN 507 N 1.35 5.35 0.01 2.29 2.47 -1.26 -4.79 114.94 120.36 1fie s ASN 507 Ca 0.01 2.05 0.02 0.00 0.42 0.00 0.00 52.86 55.37 1fie s ASN 507 Cb -0.16 -2.56 0.10 0.00 -1.45 0.00 0.00 41.25 37.18 1fie s ASN 507 CO -0.04 -1.47 1.07 0.35 -3.72 0.00 0.00 177.10 173.29 1fie n THR 508 N -2.01 1.86 0.00 -5.21 -2.24 -1.26 -4.77 114.28 100.65 1fie n THR 508 Ca 0.11 0.48 0.00 0.00 -2.27 0.00 0.00 64.05 62.36 1fie n THR 508 Cb 0.52 -1.45 0.00 0.00 -2.10 0.00 0.00 70.33 67.30 1fie n THR 508 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1fie n GLU 509 N -1.52 0.00 -0.00 -0.78 -0.58 -1.26 -1.64 120.64 114.85 1fie n GLU 509 Ca 0.00 0.00 -0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1fie n GLU 509 Cb 0.02 0.00 -0.00 0.00 -0.57 0.00 0.00 31.44 30.89 1fie n GLU 509 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1fie n GLY 510 N 0.00 -0.44 0.00 0.62 0.00 -1.26 -5.14 105.19 98.97 1fie n GLY 510 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1fie n GLY 510 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1fie n VAL 511 N -2.59 0.00 -4.39 1.61 3.14 -0.65 -5.17 118.33 110.27 1fie n VAL 511 Ca -0.01 0.00 -0.18 0.00 -2.96 0.00 0.00 64.34 61.20 1fie n VAL 511 Cb 0.02 0.00 -0.04 0.00 -1.06 0.00 0.00 33.84 32.76 1fie n VAL 511 CO 0.00 0.00 0.00 1.15 -6.46 0.00 0.00 176.83 171.52 1fie n MET 512 N 0.00 1.03 -2.39 1.45 0.00 -1.26 -4.56 117.12 111.39 1fie n MET 512 Ca 0.00 -2.18 -0.43 0.00 0.00 0.00 0.00 57.70 55.10 1fie n MET 512 Cb 0.00 0.82 -0.02 0.00 0.00 0.00 0.00 33.22 34.02 1fie n MET 512 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 175.97 176.12 1fie s LYS 513 N -3.04 3.88 0.00 3.17 -0.14 -0.79 -4.89 119.74 117.93 1fie s LYS 513 Ca 0.05 1.26 0.00 0.00 -1.36 0.00 0.00 55.97 55.92 1fie s LYS 513 Cb 0.00 -3.90 0.00 0.00 -1.68 0.00 0.00 37.83 32.25 1fie s LYS 513 CO 0.04 -1.17 0.68 0.45 -0.76 0.00 0.00 175.35 174.59 1fie n SER 514 N 7.78 0.00 0.00 2.83 2.88 -1.26 -4.76 113.62 121.09 1fie n SER 514 Ca 0.15 0.23 0.00 0.00 -1.33 0.00 0.00 58.87 57.93 1fie n SER 514 Cb 0.47 -0.23 0.00 0.00 -0.75 0.00 0.00 64.21 63.69 1fie n SER 514 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1fie n ARG 515 N -1.18 0.00 -4.02 -1.46 1.74 -1.26 -2.65 116.66 107.83 1fie n ARG 515 Ca 0.00 0.00 -0.32 0.00 -0.77 0.00 0.00 57.85 56.76 1fie n ARG 515 Cb 0.10 -3.96 0.01 0.00 -1.02 0.00 0.00 32.46 27.59 1fie n ARG 515 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1fie n SER 516 N 0.00 -4.18 -3.24 0.55 3.41 -1.26 0.66 113.62 109.56 1fie n SER 516 Ca 0.00 -0.86 -0.19 0.00 -0.26 0.00 0.00 58.87 57.56 1fie n SER 516 Cb 0.00 -3.50 0.08 0.00 -0.26 0.00 0.00 64.21 60.53 1fie n SER 516 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1fie n ASN 517 N -2.78 -4.32 -3.88 4.04 4.13 -1.08 -4.10 115.26 107.26 1fie n ASN 517 Ca 0.04 -0.51 -0.30 0.00 1.68 0.00 0.00 54.58 55.49 1fie n ASN 517 Cb 0.52 -4.61 -0.15 0.00 -1.54 0.00 0.00 39.78 33.99 1fie n ASN 517 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1fie s VAL 518 N -3.30 1.41 -0.17 2.41 1.01 0.21 0.16 120.40 122.13 1fie s VAL 518 Ca 0.31 -1.43 -0.12 0.00 0.00 0.00 0.00 61.98 60.74 1fie s VAL 518 Cb -0.14 -1.87 -0.05 0.00 0.00 0.00 0.00 36.38 34.33 1fie s VAL 518 CO 0.66 -0.36 0.22 -0.62 0.00 0.00 0.00 175.10 175.00 1fie s ASP 519 N 1.40 6.35 0.13 3.32 2.15 0.12 -4.76 116.67 125.38 1fie s ASP 519 Ca 0.02 0.41 0.07 0.00 0.43 0.00 0.00 52.55 53.48 1fie s ASP 519 Cb -0.18 -2.14 -0.04 0.00 -0.30 0.00 0.00 42.92 40.26 1fie s ASP 519 CO -0.12 0.15 -0.16 0.00 -0.17 0.00 0.00 175.17 174.87 1fie s MET 520 N 0.33 1.10 -0.22 4.34 0.23 -1.26 0.10 119.30 123.92 1fie s MET 520 Ca 0.13 -1.26 -0.29 0.00 -1.03 0.00 0.00 55.69 53.24 1fie s MET 520 Cb -0.12 -1.09 0.16 0.00 -1.53 0.00 0.00 34.83 32.24 1fie s MET 520 CO 0.02 0.22 1.16 0.34 -2.03 0.00 0.00 175.02 174.74 1fie s ASP 521 N -2.38 -0.22 0.46 -1.18 2.15 -0.22 -4.98 116.67 110.29 1fie s ASP 521 Ca 0.10 0.26 0.03 0.00 0.43 0.00 0.00 52.55 53.36 1fie s ASP 521 Cb -0.06 0.20 -0.01 0.00 -0.30 0.00 0.00 42.92 42.74 1fie s ASP 521 CO 0.04 -0.20 0.10 0.72 -0.17 0.00 0.00 175.17 175.66 1fie s PHE 522 N -0.99 1.78 -0.19 -5.34 -0.71 -1.26 -0.31 117.98 110.94 1fie s PHE 522 Ca 0.03 -1.23 -0.22 0.00 -1.04 0.00 0.00 56.93 54.47 1fie s PHE 522 Cb -0.01 -1.29 0.06 0.00 -1.21 0.00 0.00 43.02 40.57 1fie s PHE 522 CO -0.03 -0.18 0.60 -1.83 -1.34 0.00 0.00 175.22 172.44 1fie s GLU 523 N -3.73 0.75 -0.10 1.99 -1.05 -1.00 -4.98 118.70 110.57 1fie s GLU 523 Ca 0.15 0.71 -0.02 0.00 -0.15 0.00 0.00 54.97 55.67 1fie s GLU 523 Cb 0.01 0.36 -0.03 0.00 -0.44 0.00 0.00 34.13 34.03 1fie s GLU 523 CO 0.10 -0.12 -0.03 0.08 0.95 0.00 0.00 175.26 176.24 1fie s VAL 524 N 0.03 3.99 0.64 1.83 1.01 -1.26 -2.04 120.40 124.61 1fie s VAL 524 Ca -0.02 -0.35 -0.14 0.00 0.00 0.00 0.00 61.98 61.47 1fie s VAL 524 Cb -0.04 -2.68 -0.01 0.00 0.00 0.00 0.00 36.38 33.65 1fie s VAL 524 CO 0.02 0.57 1.07 -0.70 0.00 0.00 0.00 175.10 176.06 1fie s GLU 525 N -0.49 3.07 -0.83 2.72 2.12 -0.98 -4.98 118.70 119.32 1fie s GLU 525 Ca 0.08 1.15 -0.17 0.00 0.36 0.00 0.00 54.97 56.39 1fie s GLU 525 Cb -0.12 -2.00 0.17 0.00 0.26 0.00 0.00 34.13 32.44 1fie s GLU 525 CO 0.02 -1.01 0.90 -0.80 -0.54 0.00 0.00 175.26 173.84 1fie s ASN 526 N -3.11 6.62 1.30 -1.70 0.01 -1.26 -4.87 114.94 111.93 1fie s ASN 526 Ca 0.62 -2.25 -0.20 0.00 -0.71 0.00 0.00 52.86 50.32 1fie s ASN 526 Cb -0.16 -2.30 0.32 0.00 0.41 0.00 0.00 41.25 39.53 1fie s ASN 526 CO 0.44 -0.85 1.00 0.00 -1.51 0.00 0.00 177.10 176.19 1fie s ALA 527 N 1.54 -0.26 -0.04 0.60 0.00 -1.26 -4.92 121.76 117.42 1fie s ALA 527 Ca 0.23 -0.73 0.03 0.00 0.00 0.00 0.00 51.96 51.49 1fie s ALA 527 Cb -0.10 -2.98 0.00 0.00 0.00 0.00 0.00 23.12 20.04 1fie s ALA 527 CO -0.07 -4.13 -0.13 0.08 0.00 0.00 0.00 175.76 171.52 1fie s VAL 528 N -2.55 1.10 -0.19 0.00 1.01 -1.26 -2.79 120.40 115.72 1fie s VAL 528 Ca 0.69 -0.51 -0.33 0.00 0.00 0.00 0.00 61.98 61.83 1fie s VAL 528 Cb -0.14 -0.98 -0.15 0.00 0.00 0.00 0.00 36.38 35.11 1fie s VAL 528 CO 0.58 0.33 1.01 -0.11 0.00 0.00 0.00 175.10 176.92 1fie n LEU 529 N 3.43 0.46 0.00 3.92 -0.00 0.58 -1.36 117.00 124.04 1fie n LEU 529 Ca -0.20 0.89 0.00 0.00 -0.00 0.00 0.00 56.01 56.70 1fie n LEU 529 Cb 0.53 -0.68 0.00 0.00 -0.00 0.00 0.00 43.42 43.26 1fie n LEU 529 CO 0.25 -1.04 0.00 0.61 -0.00 0.00 0.00 177.39 177.21 1fie n GLY 530 N 2.09 0.78 0.00 -3.96 0.00 -1.26 -5.03 105.19 97.82 1fie n GLY 530 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 1fie n GLY 530 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1fie n LYS 531 N -2.02 2.25 -4.36 1.61 5.02 -0.46 -4.78 118.16 115.41 1fie n LYS 531 Ca 0.00 0.00 -0.22 0.00 -2.02 0.00 0.00 58.31 56.07 1fie n LYS 531 Cb 0.00 0.00 -0.11 0.00 -0.02 0.00 0.00 35.03 34.90 1fie n LYS 531 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1fie s ASP 532 N -0.89 2.87 -0.01 4.39 1.01 -1.26 -2.85 116.67 119.93 1fie s ASP 532 Ca 0.00 -0.90 -0.19 0.00 0.71 0.00 0.00 52.55 52.17 1fie s ASP 532 Cb 0.00 -0.18 0.03 0.00 1.01 0.00 0.00 42.92 43.78 1fie s ASP 532 CO 0.00 -0.02 0.40 0.72 0.21 0.00 0.00 175.17 176.48 1fie s PHE 533 N -2.18 -0.29 0.80 4.23 -0.71 -0.66 -4.91 117.98 114.26 1fie s PHE 533 Ca 0.19 0.42 -0.09 0.00 -1.04 0.00 0.00 56.93 56.40 1fie s PHE 533 Cb -0.05 0.18 0.11 0.00 -1.21 0.00 0.00 43.02 42.06 1fie s PHE 533 CO 0.08 -0.48 1.13 0.15 -1.34 0.00 0.00 175.22 174.76 1fie s LYS 534 N -1.59 1.63 -0.29 1.99 1.02 -1.26 -0.94 119.74 120.31 1fie s LYS 534 Ca -0.11 -0.37 0.04 0.00 0.02 0.00 0.00 55.97 55.55 1fie s LYS 534 Cb -0.03 -2.06 0.19 0.00 -0.52 0.00 0.00 37.83 35.40 1fie s LYS 534 CO 0.04 -1.67 0.54 -1.17 -0.92 0.00 0.00 175.35 172.16 1fie s LEU 535 N -5.47 -1.35 0.65 3.17 0.20 -0.83 -2.32 118.68 112.73 1fie s LEU 535 Ca 0.65 0.14 -0.06 0.00 0.69 0.00 0.00 54.13 55.55 1fie s LEU 535 Cb -0.08 1.78 0.04 0.00 -0.43 0.00 0.00 46.19 47.50 1fie s LEU 535 CO 0.48 -0.31 0.96 -0.44 -0.29 0.00 0.00 176.35 176.75 1fie s SER 536 N 2.75 5.17 -0.09 3.68 0.01 -0.87 -1.22 113.70 123.14 1fie s SER 536 Ca 0.11 0.56 -0.04 0.00 1.31 0.00 0.00 55.95 57.90 1fie s SER 536 Cb -0.11 -1.37 0.05 0.00 0.21 0.00 0.00 66.02 64.80 1fie s SER 536 CO -0.26 -1.35 0.19 -0.63 0.41 0.00 0.00 173.24 171.60 1fie s ILE 537 N -3.12 -0.18 -0.12 1.44 1.01 -0.34 -2.38 121.20 117.51 1fie s ILE 537 Ca 0.57 0.24 -0.00 0.00 0.00 0.00 0.00 60.65 61.46 1fie s ILE 537 Cb -0.11 -0.32 -0.02 0.00 0.01 0.00 0.00 42.46 42.02 1fie s ILE 537 CO 0.45 0.10 -0.11 0.42 0.00 0.00 0.00 174.94 175.80 1fie s THR 538 N 1.75 3.27 -0.11 2.92 -4.23 0.57 -1.37 115.64 118.43 1fie s THR 538 Ca -0.04 -0.59 0.03 0.00 -1.18 0.00 0.00 61.69 59.91 1fie s THR 538 Cb -0.12 -2.38 0.01 0.00 1.34 0.00 0.00 72.50 71.36 1fie s THR 538 CO -0.07 0.53 -0.21 -0.36 -0.54 0.00 0.00 174.62 173.97 1fie s PHE 539 N 0.14 2.46 -0.20 3.99 0.40 0.16 -1.05 117.98 123.88 1fie s PHE 539 Ca -0.05 -1.12 0.01 0.00 -0.60 0.00 0.00 56.93 55.17 1fie s PHE 539 Cb -0.15 -1.67 0.03 0.00 0.51 0.00 0.00 43.02 41.74 1fie s PHE 539 CO 0.04 -0.49 -0.17 1.03 0.70 0.00 0.00 175.22 176.33 1fie s ARG 540 N 0.63 2.81 -0.05 0.44 0.52 0.29 -1.36 118.95 122.23 1fie s ARG 540 Ca -0.12 -0.96 -0.10 0.00 -0.52 0.00 0.00 55.73 54.03 1fie s ARG 540 Cb -0.16 -2.68 -0.05 0.00 0.52 0.00 0.00 34.95 32.58 1fie s ARG 540 CO 0.03 -0.31 0.27 1.21 0.02 0.00 0.00 175.30 176.53 1fie s ASN 541 N 1.25 6.58 -0.01 0.23 3.84 0.15 0.13 114.94 127.12 1fie s ASN 541 Ca 0.01 0.69 0.02 0.00 0.21 0.00 0.00 52.86 53.79 1fie s ASN 541 Cb -0.15 -2.15 -0.03 0.00 -0.55 0.00 0.00 41.25 38.37 1fie s ASN 541 CO -0.10 0.34 0.04 0.59 -2.79 0.00 0.00 177.10 175.18 1fie n ASN 542 N 1.74 4.52 -4.79 -4.21 3.02 0.43 -3.36 115.26 112.62 1fie n ASN 542 Ca -0.16 0.00 -0.31 0.00 -0.03 0.00 0.00 54.58 54.08 1fie n ASN 542 Cb 0.54 0.99 0.06 0.00 -0.61 0.00 0.00 39.78 40.76 1fie n ASN 542 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1fie s SER 543 N -2.44 5.01 -1.26 6.41 1.04 -1.20 -4.55 113.70 116.72 1fie s SER 543 Ca -0.01 1.74 -0.06 0.00 0.48 0.00 0.00 55.95 58.11 1fie s SER 543 Cb 0.01 -2.51 0.07 0.00 0.10 0.00 0.00 66.02 63.69 1fie s SER 543 CO 0.09 -1.69 2.55 1.41 0.98 0.00 0.00 173.24 176.57 1fie n HIS 544 N -3.18 2.41 -3.84 5.02 8.25 -1.26 -2.43 115.22 120.19 1fie n HIS 544 Ca 0.08 -2.75 -0.12 0.00 -0.26 0.00 0.00 57.72 54.68 1fie n HIS 544 Cb 0.53 -1.89 -0.11 0.00 1.12 0.00 0.00 29.99 29.64 1fie n HIS 544 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 1fie s ASN 545 N 0.70 -0.07 -0.15 0.41 2.47 -1.26 -4.94 114.94 112.10 1fie s ASN 545 Ca 0.57 0.02 -0.14 0.00 0.42 0.00 0.00 52.86 53.73 1fie s ASN 545 Cb 0.21 0.28 -0.05 0.00 -1.45 0.00 0.00 41.25 40.24 1fie s ASN 545 CO -0.10 -0.27 0.30 -0.60 -3.72 0.00 0.00 177.10 172.70 1fie s ARG 546 N -0.88 4.22 0.43 0.43 3.52 -1.26 -3.11 118.95 122.30 1fie s ARG 546 Ca -0.10 0.11 0.05 0.00 -0.13 0.00 0.00 55.73 55.66 1fie s ARG 546 Cb -0.05 -3.41 -0.06 0.00 -1.56 0.00 0.00 34.95 29.87 1fie s ARG 546 CO 0.01 0.27 0.02 0.71 -0.81 0.00 0.00 175.30 175.50 1fie s TYR 547 N 0.37 2.26 -0.21 5.12 2.02 0.35 -4.95 117.35 122.32 1fie s TYR 547 Ca 0.17 -0.80 -0.04 0.00 -0.37 0.00 0.00 57.07 56.04 1fie s TYR 547 Cb -0.13 -1.66 0.07 0.00 -0.40 0.00 0.00 41.96 39.83 1fie s TYR 547 CO 0.04 0.32 0.07 0.99 -1.57 0.00 0.00 175.55 175.41 1fie s THR 548 N -2.83 0.26 0.45 -0.71 2.01 -1.26 -0.54 115.64 113.02 1fie s THR 548 Ca 0.27 -0.54 0.08 0.00 0.31 0.00 0.00 61.69 61.81 1fie s THR 548 Cb 0.07 -0.93 0.02 0.00 0.01 0.00 0.00 72.50 71.67 1fie s THR 548 CO 0.14 -0.36 0.57 -0.63 -0.69 0.00 0.00 174.62 173.65 1fie s ILE 549 N 1.97 2.77 -0.38 1.82 -1.09 0.96 -1.20 121.20 126.03 1fie s ILE 549 Ca 0.03 -1.07 0.05 0.00 -2.23 0.00 0.00 60.65 57.42 1fie s ILE 549 Cb -0.17 -2.84 0.16 0.00 -1.58 0.00 0.00 42.46 38.04 1fie s ILE 549 CO -0.15 0.00 0.45 -0.89 -1.23 0.00 0.00 174.94 173.13 1fie s THR 550 N -2.43 -0.53 0.61 2.92 2.01 -0.94 -1.05 115.64 116.22 1fie s THR 550 Ca 0.54 -0.70 -0.07 0.00 0.31 0.00 0.00 61.69 61.78 1fie s THR 550 Cb -0.08 -0.47 0.01 0.00 0.01 0.00 0.00 72.50 71.97 1fie s THR 550 CO 0.33 -0.41 0.93 0.00 -0.69 0.00 0.00 174.62 174.78 1fie s ALA 551 N 1.55 3.24 0.07 7.40 0.00 -0.19 -2.81 121.76 131.03 1fie s ALA 551 Ca 0.17 -0.68 0.01 0.00 0.00 0.00 0.00 51.96 51.46 1fie s ALA 551 Cb -0.12 -2.65 -0.04 0.00 0.00 0.00 0.00 23.12 20.31 1fie s ALA 551 CO -0.04 -0.88 -0.05 0.71 0.00 0.00 0.00 175.76 175.49 1fie s TYR 552 N -3.06 0.68 -0.04 0.00 1.51 -0.67 -0.73 117.35 115.05 1fie s TYR 552 Ca 0.55 -0.89 0.01 0.00 -1.01 0.00 0.00 57.07 55.73 1fie s TYR 552 Cb -0.11 -0.43 0.02 0.00 -0.11 0.00 0.00 41.96 41.34 1fie s TYR 552 CO 0.46 -0.23 -0.02 -1.17 -1.11 0.00 0.00 175.55 173.48 1fie s LEU 553 N -2.70 1.23 -0.19 -1.29 1.98 0.79 -3.64 118.68 114.85 1fie s LEU 553 Ca 0.05 -0.07 -0.03 0.00 -2.89 0.00 0.00 54.13 51.19 1fie s LEU 553 Cb 0.03 -0.32 0.06 0.00 0.66 0.00 0.00 46.19 46.62 1fie s LEU 553 CO -0.06 -0.08 0.05 -0.55 -1.89 0.00 0.00 176.35 173.82 1fie s SER 554 N 0.98 2.83 -0.15 3.68 0.15 -1.10 -1.72 113.70 118.37 1fie s SER 554 Ca -0.10 -0.80 -0.02 0.00 0.70 0.00 0.00 55.95 55.72 1fie s SER 554 Cb -0.14 -0.54 -0.02 0.00 -1.71 0.00 0.00 66.02 63.61 1fie s SER 554 CO -0.01 -0.32 -0.07 0.00 1.20 0.00 0.00 173.24 174.05 1fie s ALA 555 N 1.91 2.87 0.30 5.45 0.00 -0.06 -1.74 121.76 130.48 1fie s ALA 555 Ca -0.00 -0.84 0.08 0.00 0.00 0.00 0.00 51.96 51.20 1fie s ALA 555 Cb -0.17 -1.44 -0.06 0.00 0.00 0.00 0.00 23.12 21.46 1fie s ALA 555 CO -0.09 0.23 -0.09 -0.80 0.00 0.00 0.00 175.76 175.02 1fie s ASN 556 N 0.34 3.20 -0.37 0.00 0.01 -0.45 -1.51 114.94 116.16 1fie s ASN 556 Ca -0.06 -1.17 -0.14 0.00 -0.71 0.00 0.00 52.86 50.78 1fie s ASN 556 Cb -0.15 -0.25 0.00 0.00 0.41 0.00 0.00 41.25 41.27 1fie s ASN 556 CO 0.04 -0.24 0.28 -0.63 -1.51 0.00 0.00 177.10 175.04 1fie s ILE 557 N -2.81 5.26 0.35 0.60 -1.09 0.12 -2.33 121.20 121.31 1fie s ILE 557 Ca 0.30 -0.40 0.09 0.00 -2.23 0.00 0.00 60.65 58.41 1fie s ILE 557 Cb 0.02 -3.83 -0.06 0.00 -1.58 0.00 0.00 42.46 37.01 1fie s ILE 557 CO 0.14 -0.16 -0.03 0.42 -1.23 0.00 0.00 174.94 174.08 1fie s THR 558 N 1.73 2.36 0.71 2.92 -4.23 -1.18 0.91 115.64 118.86 1fie s THR 558 Ca 0.06 -2.07 -0.06 0.00 -1.18 0.00 0.00 61.69 58.44 1fie s THR 558 Cb -0.18 -2.76 0.07 0.00 1.34 0.00 0.00 72.50 70.97 1fie s THR 558 CO 0.10 -0.17 1.01 -0.36 -0.54 0.00 0.00 174.62 174.67 1fie s PHE 559 N -2.59 2.70 0.14 3.99 0.40 -0.12 -4.37 117.98 118.13 1fie s PHE 559 Ca 0.34 0.32 0.33 0.00 -0.60 0.00 0.00 56.93 57.32 1fie s PHE 559 Cb 0.02 -3.20 1.66 0.00 0.51 0.00 0.00 43.02 42.01 1fie s PHE 559 CO 0.18 -1.47 1.99 0.10 0.70 0.00 0.00 175.22 176.72 1fie h TYR 560 N -0.60 0.00 0.00 0.36 -0.00 -1.95 -1.79 116.97 112.99 1fie h TYR 560 Ca -0.43 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.30 1fie h TYR 560 Cb 1.30 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 38.03 1fie h TYR 560 CO 0.19 0.00 0.00 0.25 -0.00 0.00 0.00 178.16 178.60 1fie n THR 561 N -2.71 0.02 0.00 -0.90 -2.24 -1.26 -0.04 114.28 107.15 1fie n THR 561 Ca -0.01 0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 1fie n THR 561 Cb 0.12 -0.53 0.00 0.00 -2.10 0.00 0.00 70.33 67.83 1fie n THR 561 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1fie n GLY 562 N 1.03 1.87 3.63 3.38 0.00 -0.67 -3.06 105.19 111.37 1fie n GLY 562 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 1fie n GLY 562 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1fie s VAL 563 N -2.46 3.09 0.10 1.61 1.01 -1.26 -4.73 120.40 117.77 1fie s VAL 563 Ca 0.00 0.11 -0.30 0.00 0.00 0.00 0.00 61.98 61.79 1fie s VAL 563 Cb 0.00 -3.09 -0.06 0.00 0.00 0.00 0.00 36.38 33.23 1fie s VAL 563 CO 0.00 -0.04 0.99 -2.16 0.00 0.00 0.00 175.10 173.90 1fie s PRO 564 N 5.22 4.65 -0.18 2.72 0.04 -1.26 -0.95 135.00 145.25 1fie s PRO 564 Ca 0.91 1.50 -0.15 0.00 0.04 0.00 0.00 61.00 63.30 1fie s PRO 564 Cb -0.37 -3.37 -0.09 0.00 0.04 0.00 0.00 34.50 30.71 1fie s PRO 564 CO 0.38 0.14 -0.12 1.17 0.04 0.00 0.00 177.00 178.60 1fie n LYS 565 N 2.93 0.51 -3.80 4.56 4.81 0.26 -4.96 118.16 122.48 1fie n LYS 565 Ca 0.03 0.46 -0.10 0.00 -0.87 0.00 0.00 58.31 57.84 1fie n LYS 565 Cb 0.49 -1.64 -0.07 0.00 0.02 0.00 0.00 35.03 33.83 1fie n LYS 565 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1fie s ALA 566 N -2.63 -0.43 -0.58 3.14 0.00 -1.20 -4.96 121.76 115.10 1fie s ALA 566 Ca -0.24 -0.40 -0.15 0.00 0.00 0.00 0.00 51.96 51.17 1fie s ALA 566 Cb 0.05 0.49 0.14 0.00 0.00 0.00 0.00 23.12 23.80 1fie s ALA 566 CO 0.39 -0.51 0.53 -2.00 0.00 0.00 0.00 175.76 174.16 1fie s GLU 567 N -3.59 3.04 0.29 0.00 2.12 -1.26 0.10 118.70 119.40 1fie s GLU 567 Ca 0.03 -1.84 0.09 0.00 0.36 0.00 0.00 54.97 53.60 1fie s GLU 567 Cb 0.03 -4.28 0.44 0.00 0.26 0.00 0.00 34.13 30.57 1fie s GLU 567 CO -0.10 -1.31 1.67 0.27 -0.54 0.00 0.00 175.26 175.25 1fie h PHE 568 N 8.66 0.12 -3.79 5.30 -0.00 -1.60 -3.45 116.94 122.18 1fie h PHE 568 Ca -0.23 -0.04 -0.24 0.00 -0.00 0.00 0.00 57.97 57.46 1fie h PHE 568 Cb 1.09 -0.02 -0.27 0.00 -0.00 0.00 0.00 35.95 36.74 1fie h PHE 568 CO 0.77 0.60 -0.72 0.21 -0.00 0.00 0.00 178.31 179.16 1fie s LYS 569 N -3.88 0.11 0.05 6.09 2.20 -1.10 -4.97 119.74 118.25 1fie s LYS 569 Ca -0.03 -0.10 0.03 0.00 -0.36 0.00 0.00 55.97 55.51 1fie s LYS 569 Cb 0.13 -0.07 -0.03 0.00 -1.51 0.00 0.00 37.83 36.35 1fie s LYS 569 CO 0.76 0.02 -0.09 0.21 -0.36 0.00 0.00 175.35 175.89 1fie s LYS 570 N -0.17 0.62 -0.10 4.03 2.20 -1.26 -0.88 119.74 124.17 1fie s LYS 570 Ca -0.01 -0.83 -0.30 0.00 -0.36 0.00 0.00 55.97 54.47 1fie s LYS 570 Cb -0.01 -0.44 0.11 0.00 -1.51 0.00 0.00 37.83 35.98 1fie s LYS 570 CO -0.00 0.08 0.92 -2.00 -0.36 0.00 0.00 175.35 174.00 1fie s GLU 571 N -1.68 0.72 0.02 4.03 2.56 -0.70 -4.95 118.70 118.69 1fie s GLU 571 Ca -0.07 0.03 0.02 0.00 0.00 0.00 0.00 54.97 54.94 1fie s GLU 571 Cb -0.10 0.34 -0.01 0.00 2.00 0.00 0.00 34.13 36.36 1fie s GLU 571 CO 0.01 -0.26 -0.06 -0.08 -0.56 0.00 0.00 175.26 174.31 1fie s THR 572 N -1.72 0.44 0.08 -1.70 -1.32 -1.26 -0.15 115.64 110.01 1fie s THR 572 Ca -0.01 -0.64 0.07 0.00 -1.21 0.00 0.00 61.69 59.90 1fie s THR 572 Cb -0.01 -0.45 -0.03 0.00 -1.51 0.00 0.00 72.50 70.50 1fie s THR 572 CO -0.00 -0.14 -0.18 -0.36 -2.21 0.00 0.00 174.62 171.72 1fie s PHE 573 N -0.75 1.55 -0.15 9.09 0.40 0.09 -4.97 117.98 123.23 1fie s PHE 573 Ca -0.04 -0.43 0.00 0.00 -0.60 0.00 0.00 56.93 55.86 1fie s PHE 573 Cb -0.06 -0.86 -0.01 0.00 0.51 0.00 0.00 43.02 42.60 1fie s PHE 573 CO 0.00 0.14 -0.14 -0.51 0.70 0.00 0.00 175.22 175.40 1fie s ASP 574 N -1.77 3.79 0.04 1.36 1.01 -1.26 -1.02 116.67 118.82 1fie s ASP 574 Ca 0.03 -0.42 0.04 0.00 0.71 0.00 0.00 52.55 52.90 1fie s ASP 574 Cb -0.10 -1.58 -0.02 0.00 1.01 0.00 0.00 42.92 42.23 1fie s ASP 574 CO 0.03 0.11 -0.11 -0.69 0.21 0.00 0.00 175.17 174.72 1fie s VAL 575 N 0.69 0.83 -0.19 -1.27 1.01 -0.22 -4.97 120.40 116.28 1fie s VAL 575 Ca -0.07 -1.04 0.01 0.00 0.00 0.00 0.00 61.98 60.88 1fie s VAL 575 Cb -0.16 -0.81 0.03 0.00 0.00 0.00 0.00 36.38 35.45 1fie s VAL 575 CO 0.02 -0.19 -0.15 -0.89 0.00 0.00 0.00 175.10 173.88 1fie s THR 576 N -1.10 1.87 -0.25 3.92 2.01 -1.26 -0.03 115.64 120.81 1fie s THR 576 Ca -0.04 -0.99 -0.10 0.00 0.31 0.00 0.00 61.69 60.88 1fie s THR 576 Cb -0.09 -1.80 -0.05 0.00 0.01 0.00 0.00 72.50 70.58 1fie s THR 576 CO 0.01 0.36 0.15 -0.76 -0.69 0.00 0.00 174.62 173.68 1fie s LEU 577 N 1.33 3.98 0.41 4.42 2.01 0.29 -4.95 118.68 126.18 1fie s LEU 577 Ca 0.02 0.04 -0.09 0.00 0.01 0.00 0.00 54.13 54.11 1fie s LEU 577 Cb -0.15 -2.07 -0.06 0.00 0.01 0.00 0.00 46.19 43.92 1fie s LEU 577 CO -0.10 0.03 0.75 -1.61 1.01 0.00 0.00 176.35 176.43 1fie s GLU 578 N 1.24 3.70 0.18 1.70 0.41 -1.26 -0.50 118.70 124.17 1fie s GLU 578 Ca 0.07 0.35 -0.32 0.00 -0.41 0.00 0.00 54.97 54.66 1fie s GLU 578 Cb -0.14 -2.42 -0.11 0.00 -1.78 0.00 0.00 34.13 29.68 1fie s GLU 578 CO 0.06 -0.05 1.72 -2.14 -0.49 0.00 0.00 175.26 174.36 1fie s PRO 579 N -4.03 4.14 -1.52 0.39 0.02 -1.18 -1.83 135.00 131.00 1fie s PRO 579 Ca 0.49 2.56 -0.02 0.00 0.02 0.00 0.00 61.00 64.06 1fie s PRO 579 Cb -0.10 -3.20 0.01 0.00 0.02 0.00 0.00 34.50 31.23 1fie s PRO 579 CO 0.34 -0.75 0.16 1.28 -0.33 0.00 0.00 177.00 177.71 1fie n LEU 580 N 4.34 -1.87 -4.94 -5.54 4.32 -1.02 -4.91 117.00 107.39 1fie n LEU 580 Ca 0.16 -0.05 -0.26 0.00 -0.02 0.00 0.00 56.01 55.84 1fie n LEU 580 Cb 0.36 -2.69 -0.03 0.00 -1.62 0.00 0.00 43.42 39.45 1fie n LEU 580 CO 0.64 -0.07 -0.02 -0.55 -1.22 0.00 0.00 177.39 176.17 1fie s SER 581 N -2.23 6.36 -0.19 -1.43 0.15 -0.76 -4.90 113.70 110.70 1fie s SER 581 Ca 0.09 0.29 -0.03 0.00 0.70 0.00 0.00 55.95 57.01 1fie s SER 581 Cb -0.04 -1.96 0.06 0.00 -1.71 0.00 0.00 66.02 62.36 1fie s SER 581 CO 0.11 -0.02 0.03 0.12 1.20 0.00 0.00 173.24 174.68 1fie s PHE 582 N -1.85 1.09 0.13 3.44 2.19 -1.26 -0.67 117.98 121.03 1fie s PHE 582 Ca 0.37 -0.86 0.11 0.00 0.33 0.00 0.00 56.93 56.87 1fie s PHE 582 Cb -0.11 -1.05 -0.04 0.00 -1.31 0.00 0.00 43.02 40.52 1fie s PHE 582 CO 0.29 -0.60 -0.26 0.15 1.83 0.00 0.00 175.22 176.63 1fie s LYS 583 N 1.84 1.47 -0.02 10.12 1.02 -0.46 -4.98 119.74 128.72 1fie s LYS 583 Ca -0.01 -1.32 -0.02 0.00 0.02 0.00 0.00 55.97 54.64 1fie s LYS 583 Cb -0.17 -1.93 0.01 0.00 -0.52 0.00 0.00 37.83 35.21 1fie s LYS 583 CO -0.08 0.46 0.06 0.21 -0.92 0.00 0.00 175.35 175.07 1fie s LYS 584 N -2.06 0.07 0.06 1.68 2.20 -1.26 -0.66 119.74 119.76 1fie s LYS 584 Ca 0.15 0.07 0.04 0.00 -0.36 0.00 0.00 55.97 55.87 1fie s LYS 584 Cb -0.10 0.03 -0.03 0.00 -1.51 0.00 0.00 37.83 36.23 1fie s LYS 584 CO 0.07 -0.01 -0.13 -1.21 -0.36 0.00 0.00 175.35 173.71 1fie s GLU 585 N 0.02 0.78 -0.07 4.03 2.02 -0.47 -4.94 118.70 120.08 1fie s GLU 585 Ca -0.00 -0.84 0.01 0.00 0.02 0.00 0.00 54.97 54.16 1fie s GLU 585 Cb -0.00 -0.75 -0.03 0.00 0.10 0.00 0.00 34.13 33.45 1fie s GLU 585 CO 0.00 0.17 -0.08 0.00 0.02 0.00 0.00 175.26 175.37 1fie s ALA 586 N -1.14 2.92 0.13 5.21 0.00 -1.26 -1.20 121.76 126.42 1fie s ALA 586 Ca -0.02 -0.91 0.08 0.00 0.00 0.00 0.00 51.96 51.11 1fie s ALA 586 Cb -0.09 -1.19 -0.04 0.00 0.00 0.00 0.00 23.12 21.80 1fie s ALA 586 CO 0.02 0.56 -0.11 0.08 0.00 0.00 0.00 175.76 176.30 1fie s VAL 587 N -0.75 3.20 -0.19 0.00 1.01 -0.35 -4.97 120.40 118.34 1fie s VAL 587 Ca 0.11 -1.46 0.01 0.00 0.00 0.00 0.00 61.98 60.64 1fie s VAL 587 Cb -0.11 -2.52 0.04 0.00 0.00 0.00 0.00 36.38 33.79 1fie s VAL 587 CO 0.01 0.03 -0.09 -0.22 0.00 0.00 0.00 175.10 174.83 1fie s LEU 588 N -2.42 2.15 -0.42 3.92 1.98 -1.26 -1.96 118.68 120.67 1fie s LEU 588 Ca 0.22 -0.85 -0.17 0.00 -2.89 0.00 0.00 54.13 50.44 1fie s LEU 588 Cb -0.10 -1.17 0.02 0.00 0.66 0.00 0.00 46.19 45.60 1fie s LEU 588 CO 0.14 -0.16 0.40 -0.63 -1.89 0.00 0.00 176.35 174.21 1fie s ILE 589 N 1.44 5.14 0.10 6.68 1.09 -0.11 -4.97 121.20 130.56 1fie s ILE 589 Ca -0.01 -0.46 -0.29 0.00 -1.10 0.00 0.00 60.65 58.79 1fie s ILE 589 Cb -0.16 -4.02 -0.06 0.00 -1.06 0.00 0.00 42.46 37.17 1fie s ILE 589 CO -0.08 -0.40 0.93 -1.58 -0.10 0.00 0.00 174.94 173.71 1fie s GLN 590 N 2.00 4.67 0.57 2.79 0.74 -1.26 -1.65 119.66 127.52 1fie s GLN 590 Ca 0.10 1.39 0.30 0.00 0.05 0.00 0.00 55.36 57.21 1fie s GLN 590 Cb -0.18 -3.38 1.44 0.00 1.10 0.00 0.00 33.01 32.00 1fie s GLN 590 CO 0.12 0.22 1.83 0.00 -0.55 0.00 0.00 175.29 176.92 1fie h ALA 591 N 5.60 2.55 0.00 1.58 0.00 -1.83 0.39 119.26 127.55 1fie h ALA 591 Ca -0.43 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.43 1fie h ALA 591 Cb 1.21 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.05 1fie h ALA 591 CO 0.72 -1.01 -0.12 0.78 0.00 0.00 0.00 179.25 179.62 1fie h GLY 592 N 0.00 0.00 1.53 0.00 0.00 -1.91 -0.96 103.07 101.72 1fie h GLY 592 Ca 0.34 0.00 -0.24 0.00 0.00 0.00 0.00 47.33 47.44 1fie h GLY 592 CO -0.00 0.00 -1.00 0.83 0.00 0.00 0.00 176.54 176.37 1fie h GLU 593 N 0.00 0.42 0.01 4.80 5.08 -0.61 -3.41 114.58 120.88 1fie h GLU 593 Ca -0.00 -0.48 -0.40 0.00 -1.00 0.00 0.00 59.36 57.48 1fie h GLU 593 Cb 0.41 0.14 -0.06 0.00 0.50 0.00 0.00 28.75 29.74 1fie h GLU 593 CO 0.02 1.14 -2.38 2.48 -1.00 0.00 0.00 179.01 179.27 1fie n TYR 594 N -3.73 0.21 -0.69 4.33 0.18 -0.94 -4.64 117.16 111.88 1fie n TYR 594 Ca -0.07 0.06 0.52 0.00 1.88 0.00 0.00 57.90 60.28 1fie n TYR 594 Cb 0.87 -1.03 0.80 0.00 -0.38 0.00 0.00 39.34 39.60 1fie n TYR 594 CO 0.00 0.00 0.00 -1.33 -2.08 0.00 0.00 176.86 173.45 1fie n MET 595 N -3.62 0.00 0.10 -3.48 2.81 -0.41 -1.40 117.12 111.11 1fie n MET 595 Ca -0.46 1.05 -0.18 0.00 -1.81 0.00 0.00 57.70 56.31 1fie n MET 595 Cb 0.95 -2.44 -0.11 0.00 -0.71 0.00 0.00 33.22 30.91 1fie n MET 595 CO 0.00 0.00 0.00 0.78 1.51 0.00 0.00 175.97 178.26 1fie h GLY 596 N 0.00 0.48 0.03 3.03 0.00 -1.82 -3.37 103.07 101.41 1fie h GLY 596 Ca 0.92 -1.04 0.00 0.00 0.00 0.00 0.00 47.33 47.20 1fie h GLY 596 CO -0.01 0.92 -0.77 -1.06 0.00 0.00 0.00 176.54 175.62 1fie n GLN 597 N -3.67 0.26 -1.26 4.80 3.00 -0.50 -5.03 117.38 114.98 1fie n GLN 597 Ca -0.10 -0.20 -0.42 0.00 -0.01 0.00 0.00 57.00 56.27 1fie n GLN 597 Cb 0.97 -1.50 -0.01 0.00 0.00 0.00 0.00 30.24 29.70 1fie n GLN 597 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 1fie n LEU 598 N -1.19 -2.13 -4.77 1.08 4.77 -1.12 -5.00 117.00 108.63 1fie n LEU 598 Ca 0.06 0.88 -0.24 0.00 -0.03 0.00 0.00 56.01 56.67 1fie n LEU 598 Cb 0.36 -0.85 -0.06 0.00 -2.33 0.00 0.00 43.42 40.53 1fie n LEU 598 CO 0.38 -3.52 -0.12 -0.76 -1.33 0.00 0.00 177.39 172.03 1fie s LEU 599 N 3.61 3.12 0.10 2.23 1.43 -1.26 -5.01 118.68 122.90 1fie s LEU 599 Ca 0.57 -1.05 0.05 0.00 -1.03 0.00 0.00 54.13 52.67 1fie s LEU 599 Cb -0.70 -1.50 0.35 0.00 0.03 0.00 0.00 46.19 44.37 1fie s LEU 599 CO 0.57 -0.60 0.44 1.21 0.23 0.00 0.00 176.35 178.20 1fie n GLU 600 N -1.31 -0.02 -0.06 1.70 2.13 -1.26 -0.39 120.64 121.43 1fie n GLU 600 Ca -0.01 0.39 0.06 0.00 0.66 0.00 0.00 57.16 58.26 1fie n GLU 600 Cb 0.64 -0.69 0.08 0.00 0.27 0.00 0.00 31.44 31.74 1fie n GLU 600 CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76 1fie n GLN 601 N -3.73 1.83 -3.70 5.31 6.02 -1.26 -4.50 117.38 117.35 1fie n GLN 601 Ca 0.10 -2.10 -0.23 0.00 -0.01 0.00 0.00 57.00 54.77 1fie n GLN 601 Cb 0.34 -1.27 0.03 0.00 1.02 0.00 0.00 30.24 30.36 1fie n GLN 601 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1fie n ALA 602 N -1.02 -2.12 -2.86 -1.58 0.00 0.48 -4.59 120.51 108.82 1fie n ALA 602 Ca 0.09 -0.17 -0.35 0.00 0.00 0.00 0.00 53.44 53.01 1fie n ALA 602 Cb 0.50 -2.43 -0.06 0.00 0.00 0.00 0.00 19.45 17.46 1fie n ALA 602 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1fie s SER 603 N -4.18 6.16 -0.01 0.00 1.04 -1.26 -0.59 113.70 114.86 1fie s SER 603 Ca 0.10 0.33 0.03 0.00 0.48 0.00 0.00 55.95 56.89 1fie s SER 603 Cb -0.03 -1.91 -0.01 0.00 0.10 0.00 0.00 66.02 64.17 1fie s SER 603 CO 0.82 0.32 -0.09 -0.76 0.98 0.00 0.00 173.24 174.51 1fie s LEU 604 N -1.52 2.00 -0.06 2.42 1.02 0.23 -3.08 118.68 119.68 1fie s LEU 604 Ca 0.21 -0.17 0.04 0.00 0.02 0.00 0.00 54.13 54.23 1fie s LEU 604 Cb -0.12 -0.50 -0.00 0.00 0.02 0.00 0.00 46.19 45.59 1fie s LEU 604 CO 0.12 0.11 -0.20 -2.28 0.02 0.00 0.00 176.35 174.12 1fie s HIS 605 N -0.19 2.03 0.12 0.29 5.65 -0.98 -0.61 115.29 121.60 1fie s HIS 605 Ca 0.03 -0.68 0.09 0.00 0.25 0.00 0.00 55.06 54.75 1fie s HIS 605 Cb -0.04 -1.37 -0.04 0.00 -1.18 0.00 0.00 32.58 29.95 1fie s HIS 605 CO -0.00 -0.25 -0.17 -0.06 -0.65 0.00 0.00 174.74 173.60 1fie s PHE 606 N 0.16 2.55 0.09 3.88 0.08 -0.44 -1.34 117.98 122.96 1fie s PHE 606 Ca -0.09 -0.25 0.05 0.00 0.12 0.00 0.00 56.93 56.76 1fie s PHE 606 Cb -0.14 -1.35 -0.03 0.00 -0.57 0.00 0.00 43.02 40.93 1fie s PHE 606 CO 0.04 0.40 -0.14 -0.06 -0.10 0.00 0.00 175.22 175.36 1fie s PHE 607 N -1.19 1.29 -0.34 0.36 0.08 -0.71 -2.98 117.98 114.48 1fie s PHE 607 Ca 0.19 -0.49 0.02 0.00 0.12 0.00 0.00 56.93 56.77 1fie s PHE 607 Cb -0.10 -0.71 0.15 0.00 -0.57 0.00 0.00 43.02 41.79 1fie s PHE 607 CO 0.11 0.08 0.38 0.08 -0.10 0.00 0.00 175.22 175.77 1fie s VAL 608 N -1.51 -0.42 -0.09 -0.44 1.01 -0.32 -2.73 120.40 115.90 1fie s VAL 608 Ca 0.01 -0.73 -0.07 0.00 0.00 0.00 0.00 61.98 61.19 1fie s VAL 608 Cb -0.09 -0.76 -0.04 0.00 0.00 0.00 0.00 36.38 35.50 1fie s VAL 608 CO 0.02 -0.49 0.17 0.42 0.00 0.00 0.00 175.10 175.23 1fie s THR 609 N 1.82 5.45 0.05 3.92 -4.23 -1.24 -1.59 115.64 119.81 1fie s THR 609 Ca 0.14 0.22 -0.02 0.00 -1.18 0.00 0.00 61.69 60.85 1fie s THR 609 Cb -0.14 -3.45 -0.03 0.00 1.34 0.00 0.00 72.50 70.22 1fie s THR 609 CO -0.14 0.57 -0.01 0.00 -0.54 0.00 0.00 174.62 174.50 1fie s ALA 610 N -1.08 0.38 -0.04 3.99 0.00 -0.18 -1.67 121.76 123.16 1fie s ALA 610 Ca 0.18 -1.07 0.02 0.00 0.00 0.00 0.00 51.96 51.09 1fie s ALA 610 Cb -0.13 0.27 0.01 0.00 0.00 0.00 0.00 23.12 23.28 1fie s ALA 610 CO 0.07 -0.36 -0.10 0.50 0.00 0.00 0.00 175.76 175.87 1fie s ARG 611 N -3.60 1.19 -0.65 0.00 6.06 -1.12 -1.29 118.95 119.55 1fie s ARG 611 Ca 0.04 -0.34 -0.15 0.00 -2.50 0.00 0.00 55.73 52.78 1fie s ARG 611 Cb 0.05 -1.07 0.16 0.00 0.06 0.00 0.00 34.95 34.15 1fie s ARG 611 CO -0.09 0.09 0.61 0.42 -2.50 0.00 0.00 175.30 173.83 1fie s ILE 612 N 0.36 5.32 0.35 4.11 1.01 -0.26 -2.22 121.20 129.87 1fie s ILE 612 Ca -0.07 -1.81 0.22 0.00 0.00 0.00 0.00 60.65 59.00 1fie s ILE 612 Cb -0.11 -4.40 0.36 0.00 0.01 0.00 0.00 42.46 38.32 1fie s ILE 612 CO 0.01 -0.94 1.41 0.59 0.00 0.00 0.00 174.94 176.01 1fie n ASN 613 N 4.88 0.27 0.16 3.58 3.02 -0.34 0.13 115.26 126.96 1fie n ASN 613 Ca -0.04 1.41 -0.06 0.00 -0.03 0.00 0.00 54.58 55.86 1fie n ASN 613 Cb 0.43 -0.69 -0.03 0.00 -0.61 0.00 0.00 39.78 38.87 1fie n ASN 613 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 1fie h GLU 614 N 0.00 -0.40 -0.58 3.52 3.07 -1.93 -3.26 114.58 115.00 1fie h GLU 614 Ca 0.77 0.03 0.00 0.00 -0.50 0.00 0.00 59.36 59.66 1fie h GLU 614 Cb 2.19 0.09 0.00 0.00 -0.84 0.00 0.00 28.75 30.19 1fie h GLU 614 CO -0.61 -0.27 0.00 0.25 -1.40 0.00 0.00 179.01 176.99 1fie n THR 615 N -3.28 1.08 -3.58 1.13 -2.24 -0.73 -4.92 114.28 101.74 1fie n THR 615 Ca -0.05 -0.73 -0.25 0.00 -2.27 0.00 0.00 64.05 60.75 1fie n THR 615 Cb 0.16 0.03 -0.06 0.00 -2.10 0.00 0.00 70.33 68.37 1fie n THR 615 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 1fie n ARG 616 N 0.67 -0.87 -3.00 -0.78 0.00 0.34 -4.87 116.66 108.15 1fie n ARG 616 Ca 0.16 0.08 -0.40 0.00 -0.00 0.00 0.00 57.85 57.70 1fie n ARG 616 Cb 0.58 -2.83 -0.05 0.00 -0.00 0.00 0.00 32.46 30.16 1fie n ARG 616 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 1fie s ASP 617 N -3.03 7.22 -0.20 2.89 1.01 -1.18 -4.81 116.67 118.57 1fie s ASP 617 Ca 0.34 1.45 -0.08 0.00 0.71 0.00 0.00 52.55 54.98 1fie s ASP 617 Cb -0.20 -2.46 -0.04 0.00 1.01 0.00 0.00 42.92 41.22 1fie s ASP 617 CO 0.67 0.05 0.09 -0.69 0.21 0.00 0.00 175.17 175.51 1fie s VAL 618 N -0.23 4.96 0.07 -1.27 1.01 -1.26 -1.10 120.40 122.58 1fie s VAL 618 Ca 0.38 0.03 0.05 0.00 0.00 0.00 0.00 61.98 62.44 1fie s VAL 618 Cb -0.21 -3.26 -0.04 0.00 0.00 0.00 0.00 36.38 32.87 1fie s VAL 618 CO 0.23 0.42 -0.06 -0.76 0.00 0.00 0.00 175.10 174.93 1fie s LEU 619 N 0.62 3.21 -0.08 3.92 1.43 -0.41 -4.67 118.68 122.70 1fie s LEU 619 Ca 0.05 -0.25 -0.18 0.00 -1.03 0.00 0.00 54.13 52.72 1fie s LEU 619 Cb -0.13 -1.94 0.04 0.00 0.03 0.00 0.00 46.19 44.19 1fie s LEU 619 CO 0.01 0.21 0.42 0.00 0.23 0.00 0.00 176.35 177.21 1fie s ALA 620 N -1.18 -1.05 0.01 4.21 0.00 -1.26 -1.02 121.76 121.47 1fie s ALA 620 Ca 0.22 0.82 -0.18 0.00 0.00 0.00 0.00 51.96 52.82 1fie s ALA 620 Cb -0.11 -0.23 0.03 0.00 0.00 0.00 0.00 23.12 22.81 1fie s ALA 620 CO 0.13 -0.26 0.39 0.15 0.00 0.00 0.00 175.76 176.17 1fie s LYS 621 N -0.73 0.82 0.03 0.00 -0.14 -0.62 -4.98 119.74 114.12 1fie s LYS 621 Ca -0.08 -0.23 -0.00 0.00 -1.36 0.00 0.00 55.97 54.30 1fie s LYS 621 Cb -0.04 0.37 -0.02 0.00 -1.68 0.00 0.00 37.83 36.46 1fie s LYS 621 CO 0.04 -0.25 -0.03 -0.65 -0.76 0.00 0.00 175.35 173.69 1fie s GLN 622 N -1.83 0.39 0.10 1.68 -0.21 -1.26 -1.18 119.66 117.35 1fie s GLN 622 Ca -0.09 -0.75 -0.25 0.00 0.02 0.00 0.00 55.36 54.28 1fie s GLN 622 Cb -0.03 0.11 0.08 0.00 1.00 0.00 0.00 33.01 34.17 1fie s GLN 622 CO 0.02 -0.06 0.68 0.15 -2.12 0.00 0.00 175.29 173.96 1fie s LYS 623 N -2.02 1.15 0.17 2.91 1.02 -1.16 -5.02 119.74 116.79 1fie s LYS 623 Ca -0.11 -0.36 0.07 0.00 0.02 0.00 0.00 55.97 55.60 1fie s LYS 623 Cb -0.06 0.53 -0.04 0.00 -0.52 0.00 0.00 37.83 37.74 1fie s LYS 623 CO -0.03 -0.49 -0.14 -1.12 -0.92 0.00 0.00 175.35 172.65 1fie s SER 624 N -2.52 2.29 0.01 2.83 0.01 -1.26 -1.33 113.70 113.73 1fie s SER 624 Ca 0.01 -0.96 -0.04 0.00 1.31 0.00 0.00 55.95 56.28 1fie s SER 624 Cb -0.01 -0.10 -0.01 0.00 0.21 0.00 0.00 66.02 66.12 1fie s SER 624 CO -0.10 -0.19 0.05 -0.89 0.41 0.00 0.00 173.24 172.53 1fie s THR 625 N -2.78 0.10 -0.06 1.44 2.01 0.22 -4.94 115.64 111.63 1fie s THR 625 Ca 0.18 -0.80 0.03 0.00 0.31 0.00 0.00 61.69 61.40 1fie s THR 625 Cb -0.01 -0.34 0.01 0.00 0.01 0.00 0.00 72.50 72.16 1fie s THR 625 CO 0.05 -0.44 -0.13 -0.69 -0.69 0.00 0.00 174.62 172.71 1fie s VAL 626 N -1.42 1.21 -0.22 3.82 1.01 -1.26 -0.60 120.40 122.94 1fie s VAL 626 Ca -0.15 -0.54 -0.29 0.00 0.00 0.00 0.00 61.98 61.00 1fie s VAL 626 Cb -0.09 -1.08 -0.00 0.00 0.00 0.00 0.00 36.38 35.20 1fie s VAL 626 CO 0.00 0.37 1.23 -0.76 0.00 0.00 0.00 175.10 175.94 1fie s LEU 627 N 0.51 4.07 -0.16 3.92 1.43 0.24 -4.77 118.68 123.92 1fie s LEU 627 Ca -0.12 1.47 -0.30 0.00 -1.03 0.00 0.00 54.13 54.15 1fie s LEU 627 Cb -0.15 -3.54 -0.07 0.00 0.03 0.00 0.00 46.19 42.46 1fie s LEU 627 CO 0.04 -0.85 2.14 0.41 0.23 0.00 0.00 176.35 178.31 1fie n THR 628 N 5.64 0.45 -3.79 5.49 -1.04 -1.12 -4.50 114.28 115.40 1fie n THR 628 Ca 0.14 -0.34 -0.35 0.00 -2.04 0.00 0.00 64.05 61.45 1fie n THR 628 Cb 0.46 -2.36 -0.05 0.00 -1.82 0.00 0.00 70.33 66.55 1fie n THR 628 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 1fie s ILE 629 N 6.99 5.36 1.17 12.58 1.01 -1.26 -0.30 121.20 146.75 1fie s ILE 629 Ca 0.98 0.19 -0.13 0.00 0.00 0.00 0.00 60.65 61.70 1fie s ILE 629 Cb -0.44 -3.53 0.29 0.00 0.01 0.00 0.00 42.46 38.79 1fie s ILE 629 CO 0.40 0.46 1.03 -2.16 0.00 0.00 0.00 174.94 174.66 1fie s PRO 630 N -1.50 -0.98 0.34 2.79 0.04 -1.26 -5.00 135.00 129.43 1fie s PRO 630 Ca 0.23 0.78 0.08 0.00 0.04 0.00 0.00 61.00 62.13 1fie s PRO 630 Cb -0.13 -1.55 -0.03 0.00 0.04 0.00 0.00 34.50 32.82 1fie s PRO 630 CO 0.13 -3.75 0.23 -1.83 0.04 0.00 0.00 177.00 171.82 1fie s GLU 631 N -4.48 2.54 0.22 4.56 -1.05 -1.26 -4.60 118.70 114.62 1fie s GLU 631 Ca 0.68 -1.44 -0.11 0.00 -0.15 0.00 0.00 54.97 53.95 1fie s GLU 631 Cb -0.25 -2.32 -0.07 0.00 -0.44 0.00 0.00 34.13 31.05 1fie s GLU 631 CO 0.64 0.08 0.56 0.42 0.95 0.00 0.00 175.26 177.91 1fie s ILE 632 N -2.38 4.90 -0.26 1.83 1.01 -1.21 -4.86 121.20 120.23 1fie s ILE 632 Ca 0.40 0.59 -0.07 0.00 0.00 0.00 0.00 60.65 61.57 1fie s ILE 632 Cb -0.04 -3.64 -0.02 0.00 0.01 0.00 0.00 42.46 38.77 1fie s ILE 632 CO 0.25 -0.00 0.06 -0.63 0.00 0.00 0.00 174.94 174.61 1fie s ILE 633 N -1.74 4.11 -0.14 2.92 1.09 -0.16 -4.58 121.20 122.70 1fie s ILE 633 Ca 0.46 -0.35 -0.11 0.00 -1.10 0.00 0.00 60.65 59.54 1fie s ILE 633 Cb -0.12 -2.97 -0.05 0.00 -1.06 0.00 0.00 42.46 38.27 1fie s ILE 633 CO 0.20 0.28 0.23 -0.63 -0.10 0.00 0.00 174.94 174.93 1fie s ILE 634 N 1.57 5.34 -0.05 2.92 1.01 -1.26 -0.44 121.20 130.29 1fie s ILE 634 Ca 0.05 0.42 0.02 0.00 0.00 0.00 0.00 60.65 61.14 1fie s ILE 634 Cb -0.16 -3.55 0.02 0.00 0.01 0.00 0.00 42.46 38.78 1fie s ILE 634 CO 0.02 0.49 -0.08 -0.54 0.00 0.00 0.00 174.94 174.83 1fie s LYS 635 N -0.17 1.22 -0.06 2.79 1.02 0.67 -4.89 119.74 120.32 1fie s LYS 635 Ca 0.15 -0.26 0.05 0.00 0.02 0.00 0.00 55.97 55.93 1fie s LYS 635 Cb -0.13 -1.08 -0.01 0.00 -0.52 0.00 0.00 37.83 36.08 1fie s LYS 635 CO 0.04 -0.01 -0.22 0.14 -0.92 0.00 0.00 175.35 174.38 1fie s VAL 636 N 0.70 2.34 -0.13 3.17 -7.23 -1.26 0.24 120.40 118.22 1fie s VAL 636 Ca -0.12 -0.96 -0.02 0.00 -1.81 0.00 0.00 61.98 59.07 1fie s VAL 636 Cb -0.14 -1.88 0.04 0.00 0.56 0.00 0.00 36.38 34.96 1fie s VAL 636 CO 0.02 0.57 0.00 -0.13 -0.31 0.00 0.00 175.10 175.25 1fie s ARG 637 N -0.21 0.77 0.00 4.82 0.52 0.60 -4.99 118.95 120.46 1fie s ARG 637 Ca -0.02 -0.19 0.00 0.00 -0.52 0.00 0.00 55.73 55.00 1fie s ARG 637 Cb -0.13 -1.57 0.00 0.00 0.52 0.00 0.00 34.95 33.76 1fie s ARG 637 CO 0.03 -0.45 0.00 0.41 0.02 0.00 0.00 175.30 175.31 1fie n GLY 638 N 5.07 0.52 3.52 -3.53 0.00 -1.26 -2.54 105.19 106.96 1fie n GLY 638 Ca -0.09 -1.69 -0.43 0.00 0.00 0.00 0.00 46.02 43.81 1fie n GLY 638 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1fie s THR 639 N -2.77 4.51 -1.35 2.61 -4.23 -1.26 -4.97 115.64 108.18 1fie s THR 639 Ca 0.00 0.24 -0.14 0.00 -1.18 0.00 0.00 61.69 60.61 1fie s THR 639 Cb 0.00 -4.46 0.10 0.00 1.34 0.00 0.00 72.50 69.48 1fie s THR 639 CO 0.00 -0.98 1.93 0.00 -0.54 0.00 0.00 174.62 175.03 1fie n GLN 640 N 7.12 3.20 -4.50 3.99 6.02 -1.26 -4.62 117.38 127.34 1fie n GLN 640 Ca 0.01 -3.16 -0.21 0.00 -0.01 0.00 0.00 57.00 53.63 1fie n GLN 640 Cb 0.47 -3.20 -0.15 0.00 1.02 0.00 0.00 30.24 28.38 1fie n GLN 640 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1fie s VAL 641 N 2.43 0.93 0.34 5.09 1.01 -1.26 -1.46 120.40 127.49 1fie s VAL 641 Ca 0.46 -0.46 -0.29 0.00 0.00 0.00 0.00 61.98 61.70 1fie s VAL 641 Cb 0.09 -0.81 -0.12 0.00 0.00 0.00 0.00 36.38 35.54 1fie s VAL 641 CO -0.02 0.28 1.47 0.52 0.00 0.00 0.00 175.10 177.35 1fie n VAL 642 N 3.16 1.70 -0.11 2.92 0.31 0.20 -1.18 118.33 125.34 1fie n VAL 642 Ca -0.17 -0.42 0.00 0.00 -0.01 0.00 0.00 64.34 63.73 1fie n VAL 642 Cb 0.54 -1.86 0.00 0.00 -0.91 0.00 0.00 33.84 31.61 1fie n VAL 642 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1fie n GLY 643 N 1.03 2.42 3.78 2.92 0.00 -0.26 -4.95 105.19 110.13 1fie n GLY 643 Ca 0.04 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.70 1fie n GLY 643 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1fie s SER 644 N -3.66 6.00 0.52 1.61 0.01 -0.33 -4.93 113.70 112.92 1fie s SER 644 Ca 0.00 0.30 -0.22 0.00 1.31 0.00 0.00 55.95 57.34 1fie s SER 644 Cb 0.00 -1.93 -0.06 0.00 0.21 0.00 0.00 66.02 64.25 1fie s SER 644 CO 0.00 0.33 1.29 -1.81 0.41 0.00 0.00 173.24 173.47 1fie s ASP 645 N -0.58 5.54 -0.17 2.44 1.11 -1.26 -4.13 116.67 119.62 1fie s ASP 645 Ca 0.12 2.61 -0.09 0.00 0.18 0.00 0.00 52.55 55.37 1fie s ASP 645 Cb -0.12 -2.62 0.06 0.00 1.07 0.00 0.00 42.92 41.31 1fie s ASP 645 CO 0.02 -1.37 0.41 -0.32 1.18 0.00 0.00 175.17 175.08 1fie s MET 646 N -2.86 0.37 -0.07 8.23 -2.45 -0.56 -4.32 119.30 117.64 1fie s MET 646 Ca 0.69 0.83 -0.15 0.00 -1.25 0.00 0.00 55.69 55.81 1fie s MET 646 Cb -0.36 0.03 -0.05 0.00 1.25 0.00 0.00 34.83 35.70 1fie s MET 646 CO 0.43 -0.18 0.40 0.99 1.05 0.00 0.00 175.02 177.71 1fie s THR 647 N 1.63 5.14 0.08 10.11 2.01 -1.05 -0.15 115.64 133.40 1fie s THR 647 Ca -0.08 0.79 0.09 0.00 0.31 0.00 0.00 61.69 62.81 1fie s THR 647 Cb -0.09 -3.71 -0.03 0.00 0.01 0.00 0.00 72.50 68.67 1fie s THR 647 CO -0.13 0.48 -0.25 -0.69 -0.69 0.00 0.00 174.62 173.34 1fie s VAL 648 N -0.34 2.07 -0.07 3.82 1.01 0.30 -0.29 120.40 126.91 1fie s VAL 648 Ca 0.23 -1.50 0.03 0.00 0.00 0.00 0.00 61.98 60.73 1fie s VAL 648 Cb -0.15 -1.81 0.01 0.00 0.00 0.00 0.00 36.38 34.43 1fie s VAL 648 CO 0.10 0.21 -0.14 -0.89 0.00 0.00 0.00 175.10 174.38 1fie s THR 649 N -0.92 1.28 -0.39 3.92 2.01 0.65 -1.90 115.64 120.29 1fie s THR 649 Ca 0.11 -0.57 -0.09 0.00 0.31 0.00 0.00 61.69 61.46 1fie s THR 649 Cb -0.10 -1.16 0.05 0.00 0.01 0.00 0.00 72.50 71.31 1fie s THR 649 CO 0.04 0.39 0.20 -0.63 -0.69 0.00 0.00 174.62 173.93 1fie s ILE 650 N 0.62 4.20 -0.25 1.82 1.09 0.80 -0.24 121.20 129.23 1fie s ILE 650 Ca -0.15 -1.19 -0.06 0.00 -1.10 0.00 0.00 60.65 58.14 1fie s ILE 650 Cb -0.16 -3.46 -0.01 0.00 -1.06 0.00 0.00 42.46 37.76 1fie s ILE 650 CO 0.05 -0.35 0.05 -1.58 -0.10 0.00 0.00 174.94 173.00 1fie s GLN 651 N 1.45 3.44 -0.09 2.79 0.74 0.42 0.19 119.66 128.59 1fie s GLN 651 Ca 0.02 -0.61 -0.00 0.00 0.05 0.00 0.00 55.36 54.81 1fie s GLN 651 Cb -0.21 -3.26 0.02 0.00 1.10 0.00 0.00 33.01 30.66 1fie s GLN 651 CO 0.03 -0.26 -0.06 0.12 -0.55 0.00 0.00 175.29 174.58 1fie s PHE 652 N 1.55 1.20 -0.28 1.67 5.36 -0.67 -0.99 117.98 125.82 1fie s PHE 652 Ca 0.05 -0.52 -0.11 0.00 -0.96 0.00 0.00 56.93 55.39 1fie s PHE 652 Cb -0.15 -1.05 -0.05 0.00 -0.34 0.00 0.00 43.02 41.43 1fie s PHE 652 CO 0.02 -0.41 0.21 0.99 -1.46 0.00 0.00 175.22 174.57 1fie s THR 653 N 1.60 5.29 -0.56 0.12 2.01 -1.26 -0.71 115.64 122.14 1fie s THR 653 Ca 0.02 0.21 -0.26 0.00 0.31 0.00 0.00 61.69 61.96 1fie s THR 653 Cb -0.13 -3.55 -0.06 0.00 0.01 0.00 0.00 72.50 68.77 1fie s THR 653 CO -0.06 0.23 2.21 0.21 -0.69 0.00 0.00 174.62 176.53 1fie s ASN 654 N 1.75 4.70 0.40 3.53 2.47 -0.19 -4.83 114.94 122.78 1fie s ASN 654 Ca 0.08 0.73 0.13 0.00 0.42 0.00 0.00 52.86 54.22 1fie s ASN 654 Cb -0.16 -2.51 0.83 0.00 -1.45 0.00 0.00 41.25 37.96 1fie s ASN 654 CO 0.11 -2.76 1.90 1.55 -3.72 0.00 0.00 177.10 174.18 1fie h PRO 655 N 17.50 0.05 -6.79 0.43 0.13 -1.94 -2.32 132.00 139.05 1fie h PRO 655 Ca -0.23 -0.01 -0.55 0.00 -0.87 0.00 0.00 66.00 64.34 1fie h PRO 655 Cb 1.21 -0.01 0.10 0.00 0.13 0.00 0.00 31.00 32.43 1fie h PRO 655 CO 1.17 0.30 0.73 1.28 -0.23 0.00 0.00 178.00 181.26 1fie n LEU 656 N -4.22 4.11 -1.87 1.56 4.77 -1.26 -4.77 117.00 115.33 1fie n LEU 656 Ca -0.02 1.18 -0.12 0.00 -0.03 0.00 0.00 56.01 57.03 1fie n LEU 656 Cb 0.32 -1.55 -0.03 0.00 -2.33 0.00 0.00 43.42 39.83 1fie n LEU 656 CO 0.38 -0.08 1.27 0.29 -1.33 0.00 0.00 177.39 177.92 1fie n LYS 657 N 1.32 1.66 -3.77 3.23 4.76 -1.26 -3.53 118.16 120.57 1fie n LYS 657 Ca 0.06 -1.05 -0.13 0.00 -2.87 0.00 0.00 58.31 54.33 1fie n LYS 657 Cb 0.36 -1.55 -0.08 0.00 -1.84 0.00 0.00 35.03 31.91 1fie n LYS 657 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 1fie s GLU 658 N -0.67 0.68 -0.21 1.97 2.02 -1.26 -4.91 118.70 116.31 1fie s GLU 658 Ca 0.31 -0.26 -0.29 0.00 0.02 0.00 0.00 54.97 54.75 1fie s GLU 658 Cb 0.20 0.30 -0.02 0.00 0.10 0.00 0.00 34.13 34.70 1fie s GLU 658 CO -0.03 -0.19 1.46 -0.08 0.02 0.00 0.00 175.26 176.44 1fie s THR 659 N -1.54 3.92 0.12 3.63 -1.32 -1.26 -3.97 115.64 115.22 1fie s THR 659 Ca -0.12 1.07 -0.30 0.00 -1.21 0.00 0.00 61.69 61.12 1fie s THR 659 Cb -0.05 -3.86 -0.06 0.00 -1.51 0.00 0.00 72.50 67.02 1fie s THR 659 CO 0.03 -0.28 1.05 -0.76 -2.21 0.00 0.00 174.62 172.45 1fie s LEU 660 N 4.48 4.46 -0.08 9.08 1.43 -0.33 -4.83 118.68 132.90 1fie s LEU 660 Ca 0.64 1.93 -0.02 0.00 -1.03 0.00 0.00 54.13 55.65 1fie s LEU 660 Cb -0.23 -3.59 -0.04 0.00 0.03 0.00 0.00 46.19 42.36 1fie s LEU 660 CO 0.25 -0.21 0.04 -0.60 0.23 0.00 0.00 176.35 176.05 1fie s ARG 661 N 0.12 3.06 -1.16 1.70 3.52 -1.26 -0.65 118.95 124.28 1fie s ARG 661 Ca 0.50 -0.38 -0.26 0.00 -0.13 0.00 0.00 55.73 55.47 1fie s ARG 661 Cb -0.26 -2.86 0.01 0.00 -1.56 0.00 0.00 34.95 30.27 1fie s ARG 661 CO 0.32 0.71 0.76 0.09 -0.81 0.00 0.00 175.30 176.36 1fie n ASN 662 N 1.96 -4.93 -4.72 -2.12 3.02 -0.25 -1.09 115.26 107.12 1fie n ASN 662 Ca -0.18 -1.11 -0.41 0.00 -0.03 0.00 0.00 54.58 52.85 1fie n ASN 662 Cb 0.54 -2.80 -0.04 0.00 -0.61 0.00 0.00 39.78 36.86 1fie n ASN 662 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1fie s VAL 663 N -3.49 4.85 0.11 2.41 1.01 0.18 -3.99 120.40 121.48 1fie s VAL 663 Ca 0.48 1.78 0.10 0.00 0.00 0.00 0.00 61.98 64.34 1fie s VAL 663 Cb -0.21 -4.19 -0.04 0.00 0.00 0.00 0.00 36.38 31.95 1fie s VAL 663 CO 0.90 0.25 -0.22 0.26 0.00 0.00 0.00 175.10 176.29 1fie s TRP 664 N 0.59 2.43 -0.03 5.22 0.52 0.11 -0.13 118.94 127.66 1fie s TRP 664 Ca 0.44 -0.32 0.03 0.00 0.02 0.00 0.00 56.10 56.27 1fie s TRP 664 Cb -0.20 -1.33 0.00 0.00 -1.15 0.00 0.00 33.47 30.79 1fie s TRP 664 CO 0.24 0.33 -0.11 0.14 0.02 0.00 0.00 176.95 177.57 1fie s VAL 665 N -1.05 0.91 0.02 4.03 -7.23 0.56 -0.89 120.40 116.76 1fie s VAL 665 Ca 0.15 -0.44 0.06 0.00 -1.81 0.00 0.00 61.98 59.94 1fie s VAL 665 Cb -0.10 -0.80 -0.03 0.00 0.56 0.00 0.00 36.38 36.00 1fie s VAL 665 CO 0.07 0.28 -0.15 -1.00 -0.31 0.00 0.00 175.10 173.99 1fie s HIS 666 N 0.14 2.66 -0.04 2.82 3.76 -0.33 -0.59 115.29 123.71 1fie s HIS 666 Ca -0.03 -0.19 0.02 0.00 -0.15 0.00 0.00 55.06 54.72 1fie s HIS 666 Cb -0.09 -1.52 0.01 0.00 1.11 0.00 0.00 32.58 32.09 1fie s HIS 666 CO 0.01 0.27 -0.11 -1.17 -0.85 0.00 0.00 174.74 172.89 1fie s LEU 667 N -1.33 1.69 0.16 0.89 2.96 0.15 -2.21 118.68 120.98 1fie s LEU 667 Ca 0.15 -0.24 -0.09 0.00 -0.22 0.00 0.00 54.13 53.72 1fie s LEU 667 Cb -0.11 -0.69 -0.01 0.00 0.50 0.00 0.00 46.19 45.89 1fie s LEU 667 CO 0.05 0.05 0.28 -0.62 -1.32 0.00 0.00 176.35 174.79 1fie s ASP 668 N 0.45 0.04 0.00 3.68 2.15 0.06 -0.25 116.67 122.79 1fie s ASP 668 Ca -0.09 -0.82 0.00 0.00 0.43 0.00 0.00 52.55 52.07 1fie s ASP 668 Cb -0.12 0.43 0.00 0.00 -0.30 0.00 0.00 42.92 42.92 1fie s ASP 668 CO 0.02 -0.88 0.00 0.61 -0.17 0.00 0.00 175.17 174.75 1fie n GLY 669 N -0.20 -0.76 3.68 2.66 0.00 -1.24 0.38 105.19 109.71 1fie n GLY 669 Ca -0.09 0.77 -0.45 0.00 0.00 0.00 0.00 46.02 46.26 1fie n GLY 669 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1fie n PRO 670 N 0.00 2.52 0.00 1.61 -0.04 -1.26 -0.08 135.00 137.75 1fie n PRO 670 Ca 0.00 0.92 0.00 0.00 -0.04 0.00 0.00 63.50 64.38 1fie n PRO 670 Cb 0.00 -2.79 0.00 0.00 -0.04 0.00 0.00 33.50 30.67 1fie n PRO 670 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1fie n GLY 671 N 4.22 3.12 0.13 0.55 0.00 -1.26 -4.74 105.19 107.22 1fie n GLY 671 Ca 0.20 -0.95 -0.20 0.00 0.00 0.00 0.00 46.02 45.06 1fie n GLY 671 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1fie n VAL 672 N 0.00 1.64 -3.76 1.61 0.31 -0.66 -0.33 118.33 117.14 1fie n VAL 672 Ca 0.00 -0.58 -0.13 0.00 -0.01 0.00 0.00 64.34 63.62 1fie n VAL 672 Cb 0.00 -1.63 -0.09 0.00 -0.91 0.00 0.00 33.84 31.22 1fie n VAL 672 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 1fie s THR 673 N -2.53 0.05 0.41 2.52 -1.32 0.88 -4.11 115.64 111.55 1fie s THR 673 Ca -0.29 -0.44 -0.22 0.00 -1.21 0.00 0.00 61.69 59.53 1fie s THR 673 Cb 0.08 -0.59 -0.10 0.00 -1.51 0.00 0.00 72.50 70.37 1fie s THR 673 CO 0.68 -0.24 0.97 -0.60 -2.21 0.00 0.00 174.62 173.21 1fie s ARG 674 N -1.19 4.24 0.22 7.08 6.06 -1.26 -3.69 118.95 130.40 1fie s ARG 674 Ca -0.12 1.23 -0.31 0.00 -2.50 0.00 0.00 55.73 54.03 1fie s ARG 674 Cb -0.05 -2.32 -0.10 0.00 0.06 0.00 0.00 34.95 32.53 1fie s ARG 674 CO 0.04 -0.03 1.49 -1.25 -2.50 0.00 0.00 175.30 173.05 1fie s PRO 675 N -2.90 4.24 0.14 5.12 0.04 -1.26 -4.72 135.00 135.66 1fie s PRO 675 Ca 0.60 2.33 0.06 0.00 0.04 0.00 0.00 61.00 64.03 1fie s PRO 675 Cb -0.13 -3.13 -0.04 0.00 0.04 0.00 0.00 34.50 31.24 1fie s PRO 675 CO 0.17 -0.50 -0.14 -1.64 0.04 0.00 0.00 177.00 174.93 1fie s MET 676 N 0.21 1.11 -0.07 4.56 -1.94 0.65 -4.98 119.30 118.85 1fie s MET 676 Ca 0.64 -1.33 -0.03 0.00 -1.71 0.00 0.00 55.69 53.25 1fie s MET 676 Cb -0.43 -0.98 0.04 0.00 2.01 0.00 0.00 34.83 35.47 1fie s MET 676 CO 0.39 0.18 0.14 -1.59 -0.01 0.00 0.00 175.02 174.13 1fie s LYS 677 N -2.92 0.06 0.01 2.03 -2.85 -1.26 0.33 119.74 115.14 1fie s LYS 677 Ca 0.13 0.41 0.04 0.00 -1.00 0.00 0.00 55.97 55.55 1fie s LYS 677 Cb -0.04 -0.22 -0.03 0.00 -2.06 0.00 0.00 37.83 35.48 1fie s LYS 677 CO 0.04 -0.21 -0.10 0.21 0.10 0.00 0.00 175.35 175.39 1fie s LYS 678 N 1.53 2.43 0.22 1.78 2.47 0.25 -4.94 119.74 123.47 1fie s LYS 678 Ca -0.05 -0.79 0.10 0.00 -1.56 0.00 0.00 55.97 53.67 1fie s LYS 678 Cb -0.12 -2.41 -0.05 0.00 -1.46 0.00 0.00 37.83 33.79 1fie s LYS 678 CO -0.06 0.59 -0.18 1.41 0.16 0.00 0.00 175.35 177.27 1fie s MET 679 N -1.38 1.45 -0.03 4.03 -2.45 -1.26 -0.32 119.30 119.34 1fie s MET 679 Ca 0.16 -1.60 -0.01 0.00 -1.25 0.00 0.00 55.69 53.00 1fie s MET 679 Cb -0.11 -1.45 0.03 0.00 1.25 0.00 0.00 34.83 34.55 1fie s MET 679 CO 0.07 0.27 0.04 -0.06 1.05 0.00 0.00 175.02 176.38 1fie s PHE 680 N -2.47 0.09 0.45 4.11 0.40 0.81 -4.97 117.98 116.40 1fie s PHE 680 Ca 0.23 0.15 0.21 0.00 -0.60 0.00 0.00 56.93 56.92 1fie s PHE 680 Cb -0.04 -0.35 1.19 0.00 0.51 0.00 0.00 43.02 44.33 1fie s PHE 680 CO 0.10 -0.13 1.88 -0.09 0.70 0.00 0.00 175.22 177.67 1fie h ARG 681 N 7.69 0.28 -1.75 0.44 2.43 -1.94 0.55 114.38 122.08 1fie h ARG 681 Ca -0.34 -0.02 0.22 0.00 -0.81 0.00 0.00 59.98 59.03 1fie h ARG 681 Cb 1.12 -0.06 -0.16 0.00 -0.42 0.00 0.00 29.97 30.45 1fie h ARG 681 CO 0.37 0.19 0.70 -1.83 -1.51 0.00 0.00 179.97 177.89 1fie s GLU 682 N -5.30 0.53 -0.09 0.20 -1.05 -1.26 -1.09 118.70 110.64 1fie s GLU 682 Ca -0.07 -0.22 -0.02 0.00 -0.15 0.00 0.00 54.97 54.50 1fie s GLU 682 Cb 0.22 0.22 0.04 0.00 -0.44 0.00 0.00 34.13 34.17 1fie s GLU 682 CO 0.78 -0.23 0.04 0.42 0.95 0.00 0.00 175.26 177.21 1fie s ILE 683 N -2.67 0.18 0.32 1.83 1.01 0.18 -4.96 121.20 117.09 1fie s ILE 683 Ca 0.09 0.11 -0.29 0.00 0.00 0.00 0.00 60.65 60.56 1fie s ILE 683 Cb -0.00 -0.47 -0.12 0.00 0.01 0.00 0.00 42.46 41.87 1fie s ILE 683 CO -0.05 0.11 1.34 0.54 0.00 0.00 0.00 174.94 176.88 1fie n ARG 684 N 5.20 2.17 -1.38 2.79 5.12 -1.26 -1.18 116.66 128.12 1fie n ARG 684 Ca -0.06 0.77 -0.52 0.00 -1.93 0.00 0.00 57.85 56.10 1fie n ARG 684 Cb 0.50 -2.38 -0.09 0.00 -1.16 0.00 0.00 32.46 29.32 1fie n ARG 684 CO 0.00 0.00 0.00 -2.30 -1.93 0.00 0.00 177.63 173.40 1fie n PRO 685 N 0.93 0.59 -1.28 5.56 -0.02 -1.26 -1.52 135.00 138.00 1fie n PRO 685 Ca 0.06 0.15 0.00 0.00 -2.02 0.00 0.00 63.50 61.69 1fie n PRO 685 Cb 0.35 -2.07 0.00 0.00 -0.02 0.00 0.00 33.50 31.76 1fie n PRO 685 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1fie n ASN 686 N 9.35 -1.76 -4.99 2.55 5.03 -0.87 -4.89 115.26 119.67 1fie n ASN 686 Ca 0.48 0.00 -0.20 0.00 0.87 0.00 0.00 54.58 55.73 1fie n ASN 686 Cb 0.13 -0.43 0.03 0.00 -1.02 0.00 0.00 39.78 38.49 1fie n ASN 686 CO 0.00 0.00 0.00 -0.94 -1.83 0.00 0.00 177.26 174.49 1fie s SER 687 N -2.87 5.13 -0.04 6.41 1.04 -0.58 -4.83 113.70 117.96 1fie s SER 687 Ca 0.00 -0.82 0.04 0.00 0.48 0.00 0.00 55.95 55.65 1fie s SER 687 Cb 0.00 0.04 -0.00 0.00 0.10 0.00 0.00 66.02 66.16 1fie s SER 687 CO 0.00 -1.12 -0.17 -0.89 0.98 0.00 0.00 173.24 172.04 1fie s THR 688 N -2.60 1.43 0.04 2.02 2.01 -1.26 -1.02 115.64 116.26 1fie s THR 688 Ca 0.55 -0.72 0.05 0.00 0.31 0.00 0.00 61.69 61.87 1fie s THR 688 Cb -0.06 -1.23 -0.04 0.00 0.01 0.00 0.00 72.50 71.19 1fie s THR 688 CO 0.34 0.41 -0.08 0.68 -0.69 0.00 0.00 174.62 175.29 1fie s VAL 689 N 0.03 3.57 0.05 3.82 -7.23 0.11 -4.97 120.40 115.78 1fie s VAL 689 Ca -0.04 -0.93 0.09 0.00 -1.81 0.00 0.00 61.98 59.29 1fie s VAL 689 Cb -0.11 -2.59 -0.03 0.00 0.56 0.00 0.00 36.38 34.21 1fie s VAL 689 CO 0.02 0.30 -0.23 -1.10 -0.31 0.00 0.00 175.10 173.77 1fie s GLN 690 N -1.69 1.88 -0.15 4.82 -1.52 -1.26 -1.67 119.66 120.08 1fie s GLN 690 Ca 0.19 -1.07 0.01 0.00 -1.95 0.00 0.00 55.36 52.53 1fie s GLN 690 Cb -0.11 -2.05 0.02 0.00 -0.22 0.00 0.00 33.01 30.65 1fie s GLN 690 CO 0.10 0.52 -0.17 -0.46 -0.25 0.00 0.00 175.29 175.03 1fie s TRP 691 N -0.86 2.33 -0.20 0.91 -0.00 0.13 -4.88 118.94 116.37 1fie s TRP 691 Ca 0.13 -1.28 -0.06 0.00 -0.00 0.00 0.00 56.10 54.89 1fie s TRP 691 Cb -0.10 -1.66 -0.03 0.00 -0.00 0.00 0.00 33.47 31.68 1fie s TRP 691 CO 0.03 -0.66 0.03 -1.21 -0.00 0.00 0.00 176.95 175.14 1fie s GLU 692 N 1.27 3.71 -0.19 5.86 0.41 -1.26 -0.14 118.70 128.35 1fie s GLU 692 Ca 0.01 -0.47 -0.16 0.00 -0.41 0.00 0.00 54.97 53.94 1fie s GLU 692 Cb -0.14 -3.15 0.05 0.00 -1.78 0.00 0.00 34.13 29.12 1fie s GLU 692 CO -0.08 0.05 0.50 -2.00 -0.49 0.00 0.00 175.26 173.24 1fie s GLU 693 N 0.93 0.56 -0.16 1.61 2.56 -0.80 -5.04 118.70 118.36 1fie s GLU 693 Ca 0.02 0.75 -0.05 0.00 0.00 0.00 0.00 54.97 55.70 1fie s GLU 693 Cb -0.14 0.22 -0.03 0.00 2.00 0.00 0.00 34.13 36.18 1fie s GLU 693 CO 0.02 -0.09 -0.01 0.14 -0.56 0.00 0.00 175.26 174.76 1fie s VAL 694 N 0.56 4.10 0.09 3.70 -7.23 -1.26 -0.54 120.40 119.81 1fie s VAL 694 Ca -0.02 -0.28 0.10 0.00 -1.81 0.00 0.00 61.98 59.96 1fie s VAL 694 Cb -0.04 -2.81 -0.03 0.00 0.56 0.00 0.00 36.38 34.05 1fie s VAL 694 CO -0.03 0.48 -0.26 0.00 -0.31 0.00 0.00 175.10 174.99 1fie s ARG 696 N -1.64 2.79 0.13 0.00 0.52 -1.26 -1.50 118.95 117.99 1fie s ARG 696 Ca 0.12 -2.51 -0.31 0.00 -0.52 0.00 0.00 55.73 52.51 1fie s ARG 696 Cb -0.10 -3.89 -0.10 0.00 0.52 0.00 0.00 34.95 31.38 1fie s ARG 696 CO 0.04 -1.20 1.77 -2.14 0.02 0.00 0.00 175.30 173.79 1fie s PRO 697 N -0.00 4.15 0.00 3.54 0.02 -1.26 -4.73 135.00 136.72 1fie s PRO 697 Ca 0.17 2.54 0.22 0.00 0.02 0.00 0.00 61.00 63.95 1fie s PRO 697 Cb -0.18 -3.49 0.02 0.00 0.02 0.00 0.00 34.50 30.88 1fie s PRO 697 CO -0.05 -0.80 1.08 -2.67 -0.33 0.00 0.00 177.00 174.24 1fie n TRP 698 N 5.30 0.00 -4.66 6.54 2.14 0.55 -1.10 117.44 126.21 1fie n TRP 698 Ca 0.17 0.00 -0.27 0.00 2.07 0.00 0.00 57.50 59.47 1fie n TRP 698 Cb 0.38 0.00 -0.14 0.00 -0.81 0.00 0.00 31.31 30.74 1fie n TRP 698 CO 0.00 0.00 0.00 0.08 2.07 0.00 0.00 177.69 179.84 1fie s VAL 699 N -2.31 1.84 0.22 -1.67 1.01 -1.19 -4.97 120.40 113.35 1fie s VAL 699 Ca 0.19 -1.33 0.11 0.00 0.00 0.00 0.00 61.98 60.96 1fie s VAL 699 Cb 0.18 -1.60 -0.05 0.00 0.00 0.00 0.00 36.38 34.91 1fie s VAL 699 CO 0.50 0.22 -0.17 -0.94 0.00 0.00 0.00 175.10 174.70 1fie s SER 700 N -1.33 3.77 0.00 3.32 1.04 -1.26 -4.81 113.70 114.43 1fie s SER 700 Ca 0.09 -0.83 0.00 0.00 0.48 0.00 0.00 55.95 55.69 1fie s SER 700 Cb -0.09 -0.43 0.00 0.00 0.10 0.00 0.00 66.02 65.60 1fie s SER 700 CO 0.02 0.08 0.00 0.61 0.98 0.00 0.00 173.24 174.93 1fie n GLY 701 N -0.17 0.88 3.66 7.32 0.00 0.71 -4.96 105.19 112.64 1fie n GLY 701 Ca -0.09 -2.22 -0.45 0.00 0.00 0.00 0.00 46.02 43.26 1fie n GLY 701 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1fie n HIS 702 N -0.46 2.38 -3.97 1.61 -0.00 -1.26 -2.75 115.22 110.77 1fie n HIS 702 Ca 0.00 -0.20 0.00 0.00 -0.00 0.00 0.00 57.72 57.52 1fie n HIS 702 Cb 0.00 -2.74 0.00 0.00 -0.00 0.00 0.00 29.99 27.25 1fie n HIS 702 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.34 176.88 1fie n ARG 703 N 7.32 2.02 -3.64 1.57 5.12 -0.73 -4.98 116.66 123.35 1fie n ARG 703 Ca 0.22 0.00 -0.09 0.00 -1.93 0.00 0.00 57.85 56.05 1fie n ARG 703 Cb 0.36 0.00 -0.07 0.00 -1.16 0.00 0.00 32.46 31.59 1fie n ARG 703 CO 0.00 0.00 0.00 0.21 -1.93 0.00 0.00 177.63 175.91 1fie s LYS 704 N -1.91 0.73 0.09 5.56 2.20 -1.26 -3.70 119.74 121.45 1fie s LYS 704 Ca 0.00 1.12 -0.07 0.00 -0.36 0.00 0.00 55.97 56.66 1fie s LYS 704 Cb 0.00 0.22 -0.06 0.00 -1.51 0.00 0.00 37.83 36.48 1fie s LYS 704 CO 0.00 -0.13 0.37 -0.51 -0.36 0.00 0.00 175.35 174.72 1fie s LEU 705 N 1.21 4.32 -0.01 5.43 1.43 -0.38 -4.30 118.68 126.38 1fie s LEU 705 Ca -0.07 0.68 0.00 0.00 -1.03 0.00 0.00 54.13 53.72 1fie s LEU 705 Cb -0.05 -3.05 0.01 0.00 0.03 0.00 0.00 46.19 43.14 1fie s LEU 705 CO -0.13 0.14 -0.00 -0.63 0.23 0.00 0.00 176.35 175.96 1fie s ILE 706 N -1.47 0.09 0.10 -0.59 1.01 0.16 -1.66 121.20 118.84 1fie s ILE 706 Ca 0.35 0.04 0.04 0.00 0.00 0.00 0.00 60.65 61.07 1fie s ILE 706 Cb -0.13 -0.14 -0.04 0.00 0.01 0.00 0.00 42.46 42.16 1fie s ILE 706 CO 0.20 0.07 -0.11 0.00 0.00 0.00 0.00 174.94 175.11 1fie s ALA 707 N 0.47 1.20 0.03 9.38 0.00 0.30 -0.76 121.76 132.37 1fie s ALA 707 Ca -0.04 -1.23 -0.03 0.00 0.00 0.00 0.00 51.96 50.66 1fie s ALA 707 Cb -0.07 0.01 -0.02 0.00 0.00 0.00 0.00 23.12 23.05 1fie s ALA 707 CO -0.01 -0.02 0.03 -1.54 0.00 0.00 0.00 175.76 174.22 1fie s SER 708 N -2.51 0.24 -0.00 0.00 1.04 -0.94 -0.43 113.70 111.10 1fie s SER 708 Ca 0.07 -0.56 0.06 0.00 0.48 0.00 0.00 55.95 56.00 1fie s SER 708 Cb -0.03 0.17 -0.02 0.00 0.10 0.00 0.00 66.02 66.24 1fie s SER 708 CO 0.00 -0.42 -0.19 -0.32 0.98 0.00 0.00 173.24 173.29 1fie s MET 709 N -2.22 1.46 -0.18 4.02 1.75 0.68 -1.18 119.30 123.63 1fie s MET 709 Ca -0.09 -0.72 -0.04 0.00 -1.25 0.00 0.00 55.69 53.59 1fie s MET 709 Cb -0.04 -1.45 0.09 0.00 2.84 0.00 0.00 34.83 36.28 1fie s MET 709 CO -0.03 0.39 0.30 0.45 -0.65 0.00 0.00 175.02 175.48 1fie s SER 710 N -0.60 0.50 0.25 1.11 0.15 -0.07 -3.56 113.70 111.49 1fie s SER 710 Ca 0.07 0.35 0.10 0.00 0.70 0.00 0.00 55.95 57.17 1fie s SER 710 Cb -0.07 0.80 -0.05 0.00 -1.71 0.00 0.00 66.02 64.99 1fie s SER 710 CO -0.00 -0.27 -0.18 -0.94 1.20 0.00 0.00 173.24 173.05 1fie s SER 711 N 2.45 3.17 0.64 5.45 1.04 -0.11 0.08 113.70 126.42 1fie s SER 711 Ca 0.05 -1.03 0.24 0.00 0.48 0.00 0.00 55.95 55.70 1fie s SER 711 Cb -0.14 -0.23 1.27 0.00 0.10 0.00 0.00 66.02 67.02 1fie s SER 711 CO -0.12 -0.05 1.72 0.44 0.98 0.00 0.00 173.24 176.21 1fie h ASP 712 N 2.39 0.00 0.00 7.02 3.32 -1.24 -3.32 116.42 124.59 1fie h ASP 712 Ca -0.39 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.66 1fie h ASP 712 Cb 1.24 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.79 1fie h ASP 712 CO 0.61 0.00 0.00 -1.20 -1.72 0.00 0.00 179.24 176.93 1fie n SER 713 N -3.06 0.00 -4.79 6.45 7.64 -1.26 -5.03 113.62 113.57 1fie n SER 713 Ca 0.03 0.00 -0.36 0.00 1.01 0.00 0.00 58.87 59.55 1fie n SER 713 Cb 0.64 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.80 1fie n SER 713 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 1fie s LEU 714 N 0.00 4.06 0.22 -3.43 2.96 -1.25 -4.96 118.68 116.27 1fie s LEU 714 Ca 0.00 2.00 -0.22 0.00 -0.22 0.00 0.00 54.13 55.69 1fie s LEU 714 Cb 0.00 -4.29 0.04 0.00 0.50 0.00 0.00 46.19 42.44 1fie s LEU 714 CO 0.00 -0.57 0.74 0.00 -1.32 0.00 0.00 176.35 175.20 1fie s ARG 715 N -2.71 1.53 -0.06 1.98 1.70 -1.26 -0.94 118.95 119.20 1fie s ARG 715 Ca 0.60 -0.79 -0.00 0.00 -0.47 0.00 0.00 55.73 55.07 1fie s ARG 715 Cb -0.20 0.56 0.00 0.00 -0.57 0.00 0.00 34.95 34.74 1fie s ARG 715 CO 0.25 -0.70 0.05 1.58 -1.08 0.00 0.00 175.30 175.41 1fie n HIS 716 N -0.43 -0.12 -3.94 5.89 -0.00 -1.23 -4.78 115.22 110.61 1fie n HIS 716 Ca -0.07 0.04 -0.35 0.00 0.46 0.00 0.00 57.72 57.80 1fie n HIS 716 Cb 0.61 -1.27 -0.14 0.00 -0.12 0.00 0.00 29.99 29.07 1fie n HIS 716 CO 0.00 0.00 0.00 0.08 0.46 0.00 0.00 176.34 176.88 1fie s VAL 717 N -3.01 3.03 0.12 3.57 1.01 -1.26 -4.96 120.40 118.89 1fie s VAL 717 Ca 0.02 -0.90 0.09 0.00 0.00 0.00 0.00 61.98 61.19 1fie s VAL 717 Cb -0.01 -2.51 -0.04 0.00 0.00 0.00 0.00 36.38 33.83 1fie s VAL 717 CO 0.03 0.24 -0.24 -0.31 0.00 0.00 0.00 175.10 174.82 1fie s TYR 718 N 1.36 2.03 0.01 5.22 2.02 -1.26 -0.23 117.35 126.50 1fie s TYR 718 Ca 0.01 -0.40 -0.03 0.00 -0.37 0.00 0.00 57.07 56.28 1fie s TYR 718 Cb -0.16 -1.10 -0.01 0.00 -0.40 0.00 0.00 41.96 40.29 1fie s TYR 718 CO -0.04 0.27 0.05 0.20 -1.57 0.00 0.00 175.55 174.46 1fie s GLY 719 N -1.98 0.13 -0.23 0.71 0.00 0.43 -3.34 107.32 103.04 1fie s GLY 719 Ca 0.10 -0.32 -0.19 0.00 0.00 0.00 0.00 44.72 44.31 1fie s GLY 719 CO 0.05 -0.41 0.60 -1.83 0.00 0.00 0.00 173.10 171.51 1fie s GLU 720 N -1.25 0.68 -0.03 2.90 -1.05 -1.26 0.11 118.70 118.79 1fie s GLU 720 Ca -0.14 0.88 0.06 0.00 -0.15 0.00 0.00 54.97 55.63 1fie s GLU 720 Cb -0.08 0.29 -0.02 0.00 -0.44 0.00 0.00 34.13 33.88 1fie s GLU 720 CO 0.00 -0.10 -0.23 -1.17 0.95 0.00 0.00 175.26 174.72 1fie s LEU 721 N 0.56 2.24 -0.61 1.83 0.20 -0.67 -4.88 118.68 117.36 1fie s LEU 721 Ca -0.02 -0.40 -0.05 0.00 0.69 0.00 0.00 54.13 54.35 1fie s LEU 721 Cb -0.05 -1.40 -0.02 0.00 -0.43 0.00 0.00 46.19 44.29 1fie s LEU 721 CO -0.03 0.31 2.92 0.47 -0.29 0.00 0.00 176.35 179.74 1fie n ASP 722 N 2.50 6.68 -4.61 3.68 9.92 -1.26 -1.25 116.55 132.20 1fie n ASP 722 Ca -0.17 -2.96 -0.39 0.00 -0.53 0.00 0.00 54.79 50.74 1fie n ASP 722 Cb 0.51 -1.33 0.04 0.00 -0.64 0.00 0.00 41.12 39.70 1fie n ASP 722 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 1fie n VAL 723 N 1.66 3.10 -5.15 2.53 0.31 -1.24 -4.82 118.33 114.72 1fie n VAL 723 Ca 0.53 -0.50 -0.32 0.00 -0.01 0.00 0.00 64.34 64.04 1fie n VAL 723 Cb 0.55 -1.15 -0.17 0.00 -0.91 0.00 0.00 33.84 32.16 1fie n VAL 723 CO 0.00 0.00 0.00 -1.58 -1.32 0.00 0.00 176.83 173.93 1fie s GLN 724 N -2.43 3.05 0.04 5.55 2.00 -1.26 -1.77 119.66 124.84 1fie s GLN 724 Ca 0.70 -0.87 0.07 0.00 -2.00 0.00 0.00 55.36 53.26 1fie s GLN 724 Cb -0.47 -2.32 -0.03 0.00 0.80 0.00 0.00 33.01 31.00 1fie s GLN 724 CO 0.52 0.16 -0.21 0.42 -0.50 0.00 0.00 175.29 175.68 1fie s ILE 725 N 0.40 1.66 0.18 -2.34 1.01 -1.11 -4.76 121.20 116.23 1fie s ILE 725 Ca -0.17 -1.19 0.10 0.00 0.00 0.00 0.00 60.65 59.38 1fie s ILE 725 Cb -0.18 -1.44 -0.04 0.00 0.01 0.00 0.00 42.46 40.81 1fie s ILE 725 CO 0.08 0.20 -0.21 0.00 0.00 0.00 0.00 174.94 175.01 1fie s GLN 726 N -1.17 1.40 0.00 2.79 -2.07 -0.54 -0.20 119.66 119.87 1fie s GLN 726 Ca 0.07 -1.48 0.26 0.00 -1.82 0.00 0.00 55.36 52.39 1fie s GLN 726 Cb -0.09 -1.58 0.52 0.00 -1.09 0.00 0.00 33.01 30.77 1fie s GLN 726 CO 0.02 0.33 1.45 0.54 -1.32 0.00 0.00 175.29 176.31