#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rjm s ASN 18 N 0.00 6.92 0.51 -2.24 3.84 -1.26 -4.43 114.94 118.29 1rjm s ASN 18 Ca 0.00 1.10 0.19 0.00 0.21 0.00 0.00 52.86 54.36 1rjm s ASN 18 Cb 0.00 -2.34 1.27 0.00 -0.55 0.00 0.00 41.25 39.63 1rjm s ASN 18 CO 0.00 0.15 2.07 -0.65 -2.79 0.00 0.00 177.10 175.88 1rjm h PRO 19 N 5.49 0.07 -6.31 0.43 0.11 -1.78 -3.42 132.00 126.59 1rjm h PRO 19 Ca -0.46 -0.00 -0.55 0.00 0.11 0.00 0.00 66.00 65.09 1rjm h PRO 19 Cb 1.20 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.28 1rjm h PRO 19 CO 0.68 0.05 0.73 0.12 -0.21 0.00 0.00 178.00 179.37 1rjm s PHE 20 N -5.11 3.13 -0.59 0.65 5.36 -1.26 -4.34 117.98 115.82 1rjm s PHE 20 Ca -0.05 1.16 -0.02 0.00 -0.96 0.00 0.00 56.93 57.05 1rjm s PHE 20 Cb 0.18 -3.45 0.15 0.00 -0.34 0.00 0.00 43.02 39.56 1rjm s PHE 20 CO 0.70 -1.46 0.40 0.34 -1.46 0.00 0.00 175.22 173.74 1rjm s ASP 21 N 1.55 5.18 0.29 6.13 2.15 -1.26 -4.99 116.67 125.73 1rjm s ASP 21 Ca 0.57 -2.76 0.04 0.00 0.43 0.00 0.00 52.55 50.83 1rjm s ASP 21 Cb -0.25 -1.84 0.75 0.00 -0.30 0.00 0.00 42.92 41.28 1rjm s ASP 21 CO 0.22 -0.38 1.69 0.00 -0.17 0.00 0.00 175.17 176.53 1rjm h ALA 22 N 7.12 1.46 -0.26 3.66 0.00 -1.95 -2.04 119.26 127.25 1rjm h ALA 22 Ca -0.03 0.17 0.08 0.00 0.00 0.00 0.00 54.91 55.12 1rjm h ALA 22 Cb 0.96 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 1rjm h ALA 22 CO 0.71 -0.37 0.24 1.57 0.00 0.00 0.00 179.25 181.40 1rjm h LYS 23 N 0.38 0.00 -0.00 0.00 2.10 -2.04 -1.97 116.57 115.04 1rjm h LYS 23 Ca 0.57 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.22 1rjm h LYS 23 Cb 1.11 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.44 1rjm h LYS 23 CO -0.55 0.00 -0.05 0.00 -2.00 0.00 0.00 179.45 176.85 1rjm n ALA 24 N -2.44 2.62 -2.45 0.07 0.00 -0.76 -4.89 120.51 112.65 1rjm n ALA 24 Ca 0.03 -0.20 -0.21 0.00 0.00 0.00 0.00 53.44 53.06 1rjm n ALA 24 Cb 0.38 -1.42 -0.11 0.00 0.00 0.00 0.00 19.45 18.30 1rjm n ALA 24 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1rjm s TRP 25 N -2.51 1.77 -0.00 0.00 0.52 -0.74 -1.41 118.94 116.57 1rjm s TRP 25 Ca 0.29 -0.48 0.03 0.00 0.02 0.00 0.00 56.10 55.96 1rjm s TRP 25 Cb 0.20 -0.89 -0.01 0.00 -1.15 0.00 0.00 33.47 31.63 1rjm s TRP 25 CO 0.47 0.31 -0.10 1.03 0.02 0.00 0.00 176.95 178.67 1rjm s ARG 26 N -2.81 0.83 0.48 4.98 0.52 -0.48 -4.88 118.95 117.58 1rjm s ARG 26 Ca 0.15 -0.41 -0.23 0.00 -0.52 0.00 0.00 55.73 54.72 1rjm s ARG 26 Cb -0.05 -0.80 -0.07 0.00 0.52 0.00 0.00 34.95 34.55 1rjm s ARG 26 CO 0.06 0.22 1.29 -0.51 0.02 0.00 0.00 175.30 176.38 1rjm s LEU 27 N -0.35 4.01 -0.08 2.53 1.43 -1.26 -0.19 118.68 124.78 1rjm s LEU 27 Ca 0.03 2.60 -0.25 0.00 -1.03 0.00 0.00 54.13 55.49 1rjm s LEU 27 Cb -0.04 -4.15 -0.03 0.00 0.03 0.00 0.00 46.19 42.00 1rjm s LEU 27 CO -0.00 -1.16 0.77 -0.69 0.23 0.00 0.00 176.35 175.50 1rjm s VAL 28 N -1.36 4.99 0.32 -1.59 1.01 -1.08 -4.77 120.40 117.93 1rjm s VAL 28 Ca 0.65 1.57 -0.29 0.00 0.00 0.00 0.00 61.98 63.91 1rjm s VAL 28 Cb -0.36 -4.10 -0.12 0.00 0.00 0.00 0.00 36.38 31.80 1rjm s VAL 28 CO 0.44 0.20 1.46 0.47 0.00 0.00 0.00 175.10 177.67 1rjm n ASP 29 N 4.07 3.40 0.00 3.32 8.00 -1.26 -2.99 116.55 131.09 1rjm n ASP 29 Ca 0.01 1.19 0.00 0.00 0.71 0.00 0.00 54.79 56.70 1rjm n ASP 29 Cb 0.51 -1.55 0.00 0.00 -0.02 0.00 0.00 41.12 40.06 1rjm n ASP 29 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1rjm n GLY 30 N 1.26 0.84 2.16 0.44 0.00 -1.26 -4.99 105.19 103.64 1rjm n GLY 30 Ca 0.06 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.02 1rjm n GLY 30 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1rjm n PHE 31 N -2.11 1.32 0.24 1.61 3.01 -1.16 -4.80 117.46 115.57 1rjm n PHE 31 Ca 0.00 -1.82 0.13 0.00 1.01 0.00 0.00 57.45 56.77 1rjm n PHE 31 Cb 0.00 -0.25 0.56 0.00 -0.01 0.00 0.00 39.48 39.78 1rjm n PHE 31 CO 0.00 0.00 0.00 -0.44 1.01 0.00 0.00 176.76 177.33 1rjm h ASP 32 N 2.05 0.00 0.38 4.37 3.32 -1.94 -2.99 116.42 121.62 1rjm h ASP 32 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1rjm h ASP 32 Cb 1.42 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.97 1rjm h ASP 32 CO 0.31 0.14 0.00 -0.90 -1.72 0.00 0.00 179.24 177.07 1rjm n ASP 33 N -3.31 0.00 -4.77 6.45 5.75 -1.26 -4.88 116.55 114.53 1rjm n ASP 33 Ca 0.00 -0.36 -0.40 0.00 -0.01 0.00 0.00 54.79 54.02 1rjm n ASP 33 Cb 0.37 -0.20 -0.02 0.00 -1.03 0.00 0.00 41.12 40.24 1rjm n ASP 33 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1rjm s LEU 34 N -2.41 4.38 0.00 -2.12 1.43 -1.13 -4.92 118.68 113.91 1rjm s LEU 34 Ca 0.32 2.67 0.00 0.00 -1.03 0.00 0.00 54.13 56.09 1rjm s LEU 34 Cb 0.20 -3.71 0.00 0.00 0.03 0.00 0.00 46.19 42.70 1rjm s LEU 34 CO 0.41 -0.60 0.00 0.35 0.23 0.00 0.00 176.35 176.74 1rjm n THR 35 N 0.64 0.00 0.81 5.49 -2.24 -1.26 -4.82 114.28 112.90 1rjm n THR 35 Ca 0.01 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 61.87 1rjm n THR 35 Cb 0.42 -0.63 -0.10 0.00 -2.10 0.00 0.00 70.33 67.92 1rjm n THR 35 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1rjm n ASP 36 N -1.51 0.81 -3.96 3.42 9.92 -1.26 -4.84 116.55 119.13 1rjm n ASP 36 Ca 0.00 -0.90 -0.14 0.00 -0.53 0.00 0.00 54.79 53.22 1rjm n ASP 36 Cb 0.32 1.00 -0.14 0.00 -0.64 0.00 0.00 41.12 41.67 1rjm n ASP 36 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 1rjm s ILE 37 N -2.61 0.32 0.01 0.53 -1.09 -1.26 0.76 121.20 117.86 1rjm s ILE 37 Ca 0.06 -0.36 0.03 0.00 -2.23 0.00 0.00 60.65 58.15 1rjm s ILE 37 Cb 0.13 -0.31 -0.04 0.00 -1.58 0.00 0.00 42.46 40.66 1rjm s ILE 37 CO 0.70 -0.03 -0.03 0.42 -1.23 0.00 0.00 174.94 174.77 1rjm s THR 38 N -0.39 3.92 -0.18 2.92 -4.23 -0.39 -4.79 115.64 112.50 1rjm s THR 38 Ca -0.02 -0.71 -0.03 0.00 -1.18 0.00 0.00 61.69 59.75 1rjm s THR 38 Cb -0.03 -2.74 0.06 0.00 1.34 0.00 0.00 72.50 71.12 1rjm s THR 38 CO -0.00 0.36 0.04 -0.47 -0.54 0.00 0.00 174.62 174.01 1rjm s TYR 39 N -1.07 0.90 0.21 3.99 6.04 -1.26 -2.00 117.35 124.17 1rjm s TYR 39 Ca 0.19 -0.73 0.10 0.00 0.04 0.00 0.00 57.07 56.67 1rjm s TYR 39 Cb -0.11 -0.97 -0.05 0.00 -1.04 0.00 0.00 41.96 39.79 1rjm s TYR 39 CO 0.10 -0.57 -0.19 -1.01 -1.54 0.00 0.00 175.55 172.33 1rjm s HIS 40 N 1.90 2.05 -0.08 4.97 3.76 -0.53 -2.62 115.29 124.73 1rjm s HIS 40 Ca -0.00 -0.42 0.04 0.00 -0.15 0.00 0.00 55.06 54.53 1rjm s HIS 40 Cb -0.16 -0.96 -0.01 0.00 1.11 0.00 0.00 32.58 32.55 1rjm s HIS 40 CO -0.08 0.49 -0.23 0.50 -0.85 0.00 0.00 174.74 174.57 1rjm s ARG 41 N -3.13 2.84 0.54 1.40 6.06 0.74 -0.81 118.95 126.58 1rjm s ARG 41 Ca 0.22 -0.86 -0.22 0.00 -2.50 0.00 0.00 55.73 52.37 1rjm s ARG 41 Cb -0.05 -2.28 -0.05 0.00 0.06 0.00 0.00 34.95 32.63 1rjm s ARG 41 CO 0.10 0.30 1.34 -1.58 -2.50 0.00 0.00 175.30 172.95 1rjm s HIS 42 N 0.06 2.35 0.51 5.12 5.65 -0.31 -1.38 115.29 127.29 1rjm s HIS 42 Ca -0.10 1.39 0.22 0.00 0.25 0.00 0.00 55.06 56.82 1rjm s HIS 42 Cb -0.15 -3.76 1.40 0.00 -1.18 0.00 0.00 32.58 28.89 1rjm s HIS 42 CO 0.06 -2.75 2.13 -0.39 -0.65 0.00 0.00 174.74 173.13 1rjm h VAL 43 N 1.50 0.82 0.00 0.89 -1.51 -1.58 -3.37 116.25 113.00 1rjm h VAL 43 Ca -0.51 -0.25 0.00 0.00 -1.23 0.00 0.00 66.70 64.71 1rjm h VAL 43 Cb 1.29 1.14 0.00 0.00 -2.13 0.00 0.00 31.29 31.60 1rjm h VAL 43 CO 0.58 0.07 -0.67 0.47 -1.23 0.00 0.00 177.57 176.78 1rjm n ASP 44 N -4.13 2.43 -4.85 4.19 8.00 -1.26 -5.10 116.55 115.83 1rjm n ASP 44 Ca -0.03 0.00 -0.31 0.00 0.71 0.00 0.00 54.79 55.16 1rjm n ASP 44 Cb 0.15 0.00 0.02 0.00 -0.02 0.00 0.00 41.12 41.27 1rjm n ASP 44 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 1rjm s ASP 45 N -3.81 6.03 -1.07 -2.24 1.01 -1.26 -4.93 116.67 110.40 1rjm s ASP 45 Ca 0.00 1.50 -0.07 0.00 0.71 0.00 0.00 52.55 54.70 1rjm s ASP 45 Cb 0.00 -2.48 -0.01 0.00 1.01 0.00 0.00 42.92 41.44 1rjm s ASP 45 CO 0.00 -1.00 2.80 0.00 0.21 0.00 0.00 175.17 177.18 1rjm n ALA 46 N -2.69 6.92 -2.75 5.23 0.00 -1.26 -4.32 120.51 121.64 1rjm n ALA 46 Ca 0.07 -3.42 -0.16 0.00 0.00 0.00 0.00 53.44 49.92 1rjm n ALA 46 Cb 0.54 -2.78 -0.14 0.00 0.00 0.00 0.00 19.45 17.07 1rjm n ALA 46 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1rjm s THR 47 N -0.08 0.46 0.23 0.00 2.01 -1.26 -0.90 115.64 116.10 1rjm s THR 47 Ca 0.61 -0.25 0.11 0.00 0.31 0.00 0.00 61.69 62.47 1rjm s THR 47 Cb 0.24 -0.39 -0.05 0.00 0.01 0.00 0.00 72.50 72.31 1rjm s THR 47 CO -0.09 0.13 -0.16 0.68 -0.69 0.00 0.00 174.62 174.48 1rjm s VAL 48 N -0.13 2.72 -0.23 3.82 -7.23 -0.49 -1.16 120.40 117.70 1rjm s VAL 48 Ca 0.02 -2.07 0.02 0.00 -1.81 0.00 0.00 61.98 58.14 1rjm s VAL 48 Cb -0.02 -2.38 0.04 0.00 0.56 0.00 0.00 36.38 34.58 1rjm s VAL 48 CO -0.00 -0.25 -0.15 -0.60 -0.31 0.00 0.00 175.10 173.79 1rjm s ARG 49 N -3.12 2.55 -0.19 4.82 3.52 0.01 -0.35 118.95 126.18 1rjm s ARG 49 Ca 0.26 -1.13 -0.02 0.00 -0.13 0.00 0.00 55.73 54.71 1rjm s ARG 49 Cb -0.07 -2.75 -0.01 0.00 -1.56 0.00 0.00 34.95 30.56 1rjm s ARG 49 CO 0.14 -0.42 -0.08 0.08 -0.81 0.00 0.00 175.30 174.21 1rjm s VAL 50 N 1.18 3.18 0.02 7.11 1.01 0.52 -1.46 120.40 131.96 1rjm s VAL 50 Ca -0.03 -0.58 0.00 0.00 0.00 0.00 0.00 61.98 61.37 1rjm s VAL 50 Cb -0.17 -2.41 -0.02 0.00 0.00 0.00 0.00 36.38 33.79 1rjm s VAL 50 CO -0.08 0.47 -0.02 0.00 0.00 0.00 0.00 175.10 175.46 1rjm s ALA 51 N 1.08 0.09 0.18 5.51 0.00 -0.85 -0.95 121.76 126.83 1rjm s ALA 51 Ca 0.00 -0.44 -0.30 0.00 0.00 0.00 0.00 51.96 51.22 1rjm s ALA 51 Cb -0.15 0.11 -0.08 0.00 0.00 0.00 0.00 23.12 23.00 1rjm s ALA 51 CO -0.01 -0.12 1.31 -0.06 0.00 0.00 0.00 175.76 176.88 1rjm s PHE 52 N -1.10 3.27 -0.44 0.00 0.08 -0.52 -1.26 117.98 118.01 1rjm s PHE 52 Ca -0.12 1.19 0.05 0.00 0.12 0.00 0.00 56.93 58.17 1rjm s PHE 52 Cb -0.08 -3.60 0.42 0.00 -0.57 0.00 0.00 43.02 39.20 1rjm s PHE 52 CO -0.01 -1.91 1.18 -1.71 -0.10 0.00 0.00 175.22 172.67 1rjm n ASN 53 N 2.91 4.91 -2.89 1.36 5.15 0.23 -1.20 115.26 125.74 1rjm n ASN 53 Ca 0.07 -3.73 -0.18 0.00 -0.60 0.00 0.00 54.58 50.14 1rjm n ASN 53 Cb 0.43 -0.48 -0.01 0.00 -0.53 0.00 0.00 39.78 39.19 1rjm n ASN 53 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1rjm n ARG 54 N -0.52 1.68 -0.24 1.20 1.74 -1.26 -4.68 116.66 114.59 1rjm n ARG 54 Ca 0.41 -3.70 0.12 0.00 -0.77 0.00 0.00 57.85 53.90 1rjm n ARG 54 Cb 0.68 -1.70 0.40 0.00 -1.02 0.00 0.00 32.46 30.81 1rjm n ARG 54 CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 1rjm h PRO 55 N 2.94 0.64 -0.52 5.56 0.11 -1.86 0.47 132.00 139.34 1rjm h PRO 55 Ca 0.06 -0.04 0.10 0.00 0.11 0.00 0.00 66.00 66.23 1rjm h PRO 55 Cb 0.96 -0.14 -0.03 0.00 0.11 0.00 0.00 31.00 31.90 1rjm h PRO 55 CO 0.59 0.42 0.36 1.05 -0.21 0.00 0.00 178.00 180.21 1rjm h GLU 56 N 0.65 0.28 -0.80 1.05 9.09 -1.92 -1.19 114.58 121.75 1rjm h GLU 56 Ca 0.41 -0.02 -0.57 0.00 0.05 0.00 0.00 59.36 59.23 1rjm h GLU 56 Cb 0.66 -0.06 -0.38 0.00 -1.65 0.00 0.00 28.75 27.32 1rjm h GLU 56 CO -0.17 0.18 -0.35 1.33 0.05 0.00 0.00 179.01 180.05 1rjm n VAL 57 N -4.46 2.82 -3.33 -1.06 0.24 -0.36 -4.87 118.33 107.31 1rjm n VAL 57 Ca 0.08 -3.83 -0.23 0.00 -2.04 0.00 0.00 64.34 58.33 1rjm n VAL 57 Cb 0.39 -1.11 -0.01 0.00 -1.47 0.00 0.00 33.84 31.64 1rjm n VAL 57 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1rjm n ARG 58 N -0.78 -3.22 -3.13 7.34 1.74 -0.45 -1.46 116.66 116.70 1rjm n ARG 58 Ca 0.49 0.45 -0.22 0.00 -0.77 0.00 0.00 57.85 57.79 1rjm n ARG 58 Cb 0.89 -5.14 0.01 0.00 -1.02 0.00 0.00 32.46 27.20 1rjm n ARG 58 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1rjm n ASN 59 N -2.24 -4.78 -4.79 0.55 3.02 0.15 -2.42 115.26 104.76 1rjm n ASN 59 Ca -0.02 -0.29 -0.35 0.00 -0.03 0.00 0.00 54.58 53.89 1rjm n ASN 59 Cb 0.54 -3.91 -0.02 0.00 -0.61 0.00 0.00 39.78 35.78 1rjm n ASN 59 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1rjm s ALA 60 N -3.01 2.82 -0.11 5.41 0.00 -0.53 -3.64 121.76 122.69 1rjm s ALA 60 Ca 0.32 0.71 -0.03 0.00 0.00 0.00 0.00 51.96 52.96 1rjm s ALA 60 Cb -0.16 -3.30 -0.03 0.00 0.00 0.00 0.00 23.12 19.63 1rjm s ALA 60 CO 0.40 -0.49 0.00 -0.59 0.00 0.00 0.00 175.76 175.08 1rjm s PHE 61 N -1.87 3.15 0.39 0.00 -0.12 0.04 -4.86 117.98 114.71 1rjm s PHE 61 Ca 0.69 0.08 0.08 0.00 -0.05 0.00 0.00 56.93 57.72 1rjm s PHE 61 Cb -0.20 -1.87 -0.03 0.00 -0.63 0.00 0.00 43.02 40.30 1rjm s PHE 61 CO 0.23 0.32 0.32 -0.98 -0.05 0.00 0.00 175.22 175.07 1rjm s ARG 62 N -0.45 2.56 0.33 1.99 1.70 -1.26 -1.09 118.95 122.73 1rjm s ARG 62 Ca 0.08 -1.48 0.11 0.00 -0.47 0.00 0.00 55.73 53.97 1rjm s ARG 62 Cb -0.12 -2.37 0.99 0.00 -0.57 0.00 0.00 34.95 32.88 1rjm s ARG 62 CO 0.02 -0.08 1.66 -1.35 -1.08 0.00 0.00 175.30 174.47 1rjm h PRO 63 N 1.15 0.30 -0.24 3.89 0.11 -1.99 0.41 132.00 135.64 1rjm h PRO 63 Ca -0.43 -0.02 -0.07 0.00 0.11 0.00 0.00 66.00 65.59 1rjm h PRO 63 Cb 1.26 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 1rjm h PRO 63 CO 0.59 0.20 -0.17 1.25 -0.21 0.00 0.00 178.00 179.66 1rjm h HIS 64 N 0.31 0.45 -0.33 0.65 -0.00 -1.96 -2.52 115.15 111.75 1rjm h HIS 64 Ca 0.69 -0.07 -0.02 0.00 -0.00 0.00 0.00 60.37 60.96 1rjm h HIS 64 Cb 1.52 -0.12 -0.01 0.00 -0.00 0.00 0.00 27.41 28.80 1rjm h HIS 64 CO -0.07 0.57 0.12 1.15 -0.00 0.00 0.00 177.93 179.71 1rjm h THR 65 N 0.39 1.19 -1.00 6.26 2.02 -0.56 -2.44 112.91 118.77 1rjm h THR 65 Ca 0.07 -0.59 0.02 0.00 0.77 0.00 0.00 66.41 66.67 1rjm h THR 65 Cb 0.52 0.96 -0.05 0.00 -1.74 0.00 0.00 68.15 67.84 1rjm h THR 65 CO 0.03 0.21 0.66 0.58 0.37 0.00 0.00 175.52 177.37 1rjm h VAL 66 N 0.38 1.23 -0.23 3.16 2.07 -1.19 0.32 116.25 121.99 1rjm h VAL 66 Ca 0.11 -0.46 -0.00 0.00 0.82 0.00 0.00 66.70 67.17 1rjm h VAL 66 Cb 0.20 -0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 29.74 1rjm h VAL 66 CO -0.01 0.24 0.14 0.44 0.02 0.00 0.00 177.57 178.41 1rjm h ASP 67 N 1.33 0.28 -0.25 0.57 3.45 -1.19 -0.07 116.42 120.53 1rjm h ASP 67 Ca 0.38 -0.04 -0.05 0.00 0.43 0.00 0.00 57.03 57.75 1rjm h ASP 67 Cb -0.10 -0.07 -0.01 0.00 -0.56 0.00 0.00 39.33 38.59 1rjm h ASP 67 CO -0.10 0.23 -0.03 -0.33 -1.57 0.00 0.00 179.24 177.45 1rjm h GLU 68 N 0.29 0.47 -0.69 3.56 5.08 -1.04 -1.43 114.58 120.82 1rjm h GLU 68 Ca 0.08 -0.16 0.08 0.00 -1.00 0.00 0.00 59.36 58.36 1rjm h GLU 68 Cb 0.01 -0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.16 1rjm h GLU 68 CO -0.02 0.66 0.36 1.25 -1.00 0.00 0.00 179.01 180.27 1rjm h LEU 69 N 0.23 0.50 -0.39 1.33 5.85 -0.78 0.12 115.31 122.17 1rjm h LEU 69 Ca 0.07 0.05 -0.04 0.00 0.84 0.00 0.00 57.88 58.79 1rjm h LEU 69 Cb 0.47 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.44 1rjm h LEU 69 CO 0.02 0.30 0.07 0.22 -0.34 0.00 0.00 178.44 178.71 1rjm h TYR 70 N 0.64 0.68 -0.26 1.25 5.03 -0.89 -0.83 116.97 122.58 1rjm h TYR 70 Ca 0.33 -0.09 -0.00 0.00 2.58 0.00 0.00 58.73 61.54 1rjm h TYR 70 Cb 0.28 -0.19 -0.01 0.00 1.55 0.00 0.00 36.73 38.36 1rjm h TYR 70 CO -0.09 0.67 0.16 0.00 -1.32 0.00 0.00 178.16 177.58 1rjm h ARG 71 N 0.49 0.35 0.22 1.82 3.08 -0.55 0.18 114.38 119.97 1rjm h ARG 71 Ca 0.12 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.13 1rjm h ARG 71 Cb 0.36 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.33 1rjm h ARG 71 CO 0.01 0.26 -0.10 0.28 -1.07 0.00 0.00 179.97 179.35 1rjm h VAL 72 N 0.34 0.82 -0.47 2.04 2.07 -0.69 -1.57 116.25 118.79 1rjm h VAL 72 Ca 0.09 -0.18 -0.03 0.00 0.82 0.00 0.00 66.70 67.40 1rjm h VAL 72 Cb -0.00 0.93 -0.02 0.00 -1.52 0.00 0.00 31.29 30.68 1rjm h VAL 72 CO -0.02 0.04 0.18 -0.07 0.02 0.00 0.00 177.57 177.72 1rjm h LEU 73 N -0.38 0.62 -0.81 2.57 3.38 -1.08 -0.49 115.31 119.12 1rjm h LEU 73 Ca -0.03 -0.07 -0.10 0.00 0.09 0.00 0.00 57.88 57.77 1rjm h LEU 73 Cb 0.29 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 1rjm h LEU 73 CO 0.05 0.57 -0.19 -0.78 0.09 0.00 0.00 178.44 178.17 1rjm h ASP 74 N 0.67 0.68 -0.33 -0.43 3.58 -0.83 0.30 116.42 120.07 1rjm h ASP 74 Ca 0.16 -0.23 -0.15 0.00 0.42 0.00 0.00 57.03 57.24 1rjm h ASP 74 Cb 0.15 -0.19 -0.01 0.00 1.72 0.00 0.00 39.33 41.01 1rjm h ASP 74 CO -0.01 0.87 -0.36 -0.74 -2.88 0.00 0.00 179.24 176.11 1rjm h HIS 75 N 0.60 1.04 -0.71 0.28 2.76 -0.50 -2.43 115.15 116.19 1rjm h HIS 75 Ca 0.09 -0.30 -0.07 0.00 -2.20 0.00 0.00 60.37 57.89 1rjm h HIS 75 Cb 0.66 -0.22 -0.03 0.00 1.55 0.00 0.00 27.41 29.37 1rjm h HIS 75 CO 0.03 1.10 0.17 0.00 -1.30 0.00 0.00 177.93 177.94 1rjm h ALA 76 N 0.86 0.93 -0.81 5.26 0.00 -0.72 -2.21 119.26 122.56 1rjm h ALA 76 Ca 0.06 -0.25 0.06 0.00 0.00 0.00 0.00 54.91 54.79 1rjm h ALA 76 Cb 0.94 -0.27 -0.05 0.00 0.00 0.00 0.00 17.79 18.41 1rjm h ALA 76 CO 0.09 0.66 0.53 -0.09 0.00 0.00 0.00 179.25 180.44 1rjm h ARG 77 N 1.07 0.87 -0.17 0.00 2.43 -0.72 -2.01 114.38 115.85 1rjm h ARG 77 Ca 0.22 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.34 1rjm h ARG 77 Cb 0.37 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 29.73 1rjm h ARG 77 CO 0.00 0.57 0.00 -1.33 -1.51 0.00 0.00 179.97 177.71 1rjm n MET 78 N -4.48 1.88 -2.84 0.20 2.81 -0.94 -4.81 117.12 108.94 1rjm n MET 78 Ca 0.12 -1.32 -0.43 0.00 -1.81 0.00 0.00 57.70 54.26 1rjm n MET 78 Cb 0.21 -1.43 -0.04 0.00 -0.71 0.00 0.00 33.22 31.25 1rjm n MET 78 CO 0.00 0.00 0.00 -1.12 1.51 0.00 0.00 175.97 176.36 1rjm s SER 79 N -1.65 6.35 0.43 7.83 0.01 -0.76 -4.92 113.70 121.00 1rjm s SER 79 Ca 0.34 -0.32 0.17 0.00 1.31 0.00 0.00 55.95 57.45 1rjm s SER 79 Cb 0.19 -2.43 1.08 0.00 0.21 0.00 0.00 66.02 65.06 1rjm s SER 79 CO 0.28 -1.20 1.91 -0.65 0.41 0.00 0.00 173.24 173.99 1rjm h PRO 80 N 9.28 0.38 -0.26 12.44 0.11 -1.87 -1.88 132.00 150.20 1rjm h PRO 80 Ca -0.26 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.83 1rjm h PRO 80 Cb 1.07 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.10 1rjm h PRO 80 CO 1.08 0.25 0.00 -0.40 -0.21 0.00 0.00 178.00 178.72 1rjm n ASP 81 N -4.48 1.82 -4.43 -2.05 5.75 -1.26 -4.82 116.55 107.09 1rjm n ASP 81 Ca 0.15 -1.84 -0.35 0.00 -0.01 0.00 0.00 54.79 52.74 1rjm n ASP 81 Cb 0.57 -0.17 -0.13 0.00 -1.03 0.00 0.00 41.12 40.37 1rjm n ASP 81 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1rjm s VAL 82 N -1.66 3.85 -0.17 2.12 1.01 -0.71 -4.47 120.40 120.37 1rjm s VAL 82 Ca 0.29 -0.35 0.07 0.00 0.00 0.00 0.00 61.98 61.99 1rjm s VAL 82 Cb 0.15 -2.74 -0.10 0.00 0.00 0.00 0.00 36.38 33.70 1rjm s VAL 82 CO 0.22 0.43 0.24 0.61 0.00 0.00 0.00 175.10 176.60 1rjm n GLY 83 N 4.28 -0.04 2.88 4.51 0.00 -0.08 -4.90 105.19 111.83 1rjm n GLY 83 Ca -0.17 -0.19 -0.14 0.00 0.00 0.00 0.00 46.02 45.52 1rjm n GLY 83 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1rjm s VAL 84 N -2.13 0.11 -0.16 1.61 1.01 -1.03 -2.68 120.40 117.11 1rjm s VAL 84 Ca -0.00 -0.02 -0.00 0.00 0.00 0.00 0.00 61.98 61.95 1rjm s VAL 84 Cb 0.05 -0.12 -0.00 0.00 0.00 0.00 0.00 36.38 36.31 1rjm s VAL 84 CO 0.31 0.05 -0.14 -0.69 0.00 0.00 0.00 175.10 174.62 1rjm s VAL 85 N 0.16 2.70 -0.33 2.92 1.01 -0.54 -1.40 120.40 124.92 1rjm s VAL 85 Ca -0.01 -0.75 -0.11 0.00 0.00 0.00 0.00 61.98 61.10 1rjm s VAL 85 Cb -0.03 -2.15 -0.01 0.00 0.00 0.00 0.00 36.38 34.19 1rjm s VAL 85 CO -0.00 0.51 0.20 -0.76 0.00 0.00 0.00 175.10 175.05 1rjm s LEU 86 N 0.91 4.36 -0.26 3.92 1.43 0.52 -0.53 118.68 129.03 1rjm s LEU 86 Ca -0.03 -0.49 -0.08 0.00 -1.03 0.00 0.00 54.13 52.50 1rjm s LEU 86 Cb -0.15 -2.08 -0.02 0.00 0.03 0.00 0.00 46.19 43.97 1rjm s LEU 86 CO -0.01 -0.23 0.09 -0.22 0.23 0.00 0.00 176.35 176.21 1rjm s LEU 87 N 1.67 3.60 0.00 1.79 2.96 0.35 -0.35 118.68 128.69 1rjm s LEU 87 Ca 0.05 -0.30 0.00 0.00 -0.22 0.00 0.00 54.13 53.66 1rjm s LEU 87 Cb -0.17 -1.93 0.00 0.00 0.50 0.00 0.00 46.19 44.58 1rjm s LEU 87 CO 0.09 -0.08 0.00 1.07 -1.32 0.00 0.00 176.35 176.11 1rjm n THR 88 N 4.93 0.00 -4.64 3.68 5.66 -0.12 -0.16 114.28 123.63 1rjm n THR 88 Ca -0.16 0.00 -0.23 0.00 -3.05 0.00 0.00 64.05 60.61 1rjm n THR 88 Cb 0.51 0.00 -0.16 0.00 -1.55 0.00 0.00 70.33 69.13 1rjm n THR 88 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 1rjm s GLY 89 N -0.89 0.74 0.55 1.09 0.00 -1.26 -1.44 107.32 106.10 1rjm s GLY 89 Ca 0.00 -0.54 -0.16 0.00 0.00 0.00 0.00 44.72 44.02 1rjm s GLY 89 CO 0.00 -0.27 1.02 -1.31 0.00 0.00 0.00 173.10 172.54 1rjm s ASN 90 N 0.05 6.27 0.18 1.64 0.01 -0.34 -4.81 114.94 117.94 1rjm s ASN 90 Ca -0.02 1.68 -0.15 0.00 -0.71 0.00 0.00 52.86 53.66 1rjm s ASN 90 Cb -0.10 -2.52 0.05 0.00 0.41 0.00 0.00 41.25 39.10 1rjm s ASN 90 CO 0.01 -0.83 0.73 0.61 -1.51 0.00 0.00 177.10 176.11 1rjm n GLY 91 N -1.28 0.90 1.34 0.66 0.00 -1.26 -4.52 105.19 101.03 1rjm n GLY 91 Ca 0.08 -1.12 -0.09 0.00 0.00 0.00 0.00 46.02 44.88 1rjm n GLY 91 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1rjm n PRO 92 N -0.51 0.03 -2.42 1.61 -0.04 -1.26 -4.99 135.00 127.42 1rjm n PRO 92 Ca -0.03 -0.85 -0.42 0.00 -0.04 0.00 0.00 63.50 62.16 1rjm n PRO 92 Cb 0.44 -0.33 -0.03 0.00 -0.04 0.00 0.00 33.50 33.54 1rjm n PRO 92 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1rjm s SER 93 N -2.52 7.07 0.26 3.54 0.15 0.06 -4.81 113.70 117.44 1rjm s SER 93 Ca 0.24 2.00 0.25 0.00 0.70 0.00 0.00 55.95 59.13 1rjm s SER 93 Cb -0.01 -2.58 0.95 0.00 -1.71 0.00 0.00 66.02 62.68 1rjm s SER 93 CO 0.17 -0.49 1.74 -2.65 1.20 0.00 0.00 173.24 173.20 1rjm n PRO 94 N 4.09 0.22 0.01 5.44 -0.02 -1.26 -0.11 135.00 143.37 1rjm n PRO 94 Ca 0.09 0.38 -0.19 0.00 -2.02 0.00 0.00 63.50 61.76 1rjm n PRO 94 Cb 0.46 -1.87 -0.14 0.00 -0.02 0.00 0.00 33.50 31.93 1rjm n PRO 94 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 1rjm h LYS 95 N 0.00 0.22 0.00 -0.52 1.79 -1.90 -3.42 116.57 112.74 1rjm h LYS 95 Ca 0.00 -0.37 0.00 0.00 -2.18 0.00 0.00 60.65 58.10 1rjm h LYS 95 Cb 0.46 0.14 0.00 0.00 -1.58 0.00 0.00 32.23 31.25 1rjm h LYS 95 CO 0.00 1.18 0.00 -0.40 -1.08 0.00 0.00 179.45 179.15 1rjm n ASP 96 N -4.19 0.37 0.00 0.86 3.85 -1.22 -5.01 116.55 111.21 1rjm n ASP 96 Ca -0.16 -1.15 0.00 0.00 -0.71 0.00 0.00 54.79 52.77 1rjm n ASP 96 Cb 0.77 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 40.54 1rjm n ASP 96 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1rjm n GLY 97 N -0.08 0.35 3.86 6.12 0.00 0.84 -4.96 105.19 111.33 1rjm n GLY 97 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 1rjm n GLY 97 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1rjm s GLY 98 N -2.00 1.63 -0.06 -0.02 0.00 -1.26 -4.50 107.32 101.12 1rjm s GLY 98 Ca 0.00 -0.25 0.04 0.00 0.00 0.00 0.00 44.72 44.51 1rjm s GLY 98 CO 0.00 0.12 -0.15 -0.98 0.00 0.00 0.00 173.10 172.08 1rjm s TRP 99 N -3.27 2.68 -0.10 1.90 0.52 -1.26 -0.76 118.94 118.64 1rjm s TRP 99 Ca 0.58 -0.26 -0.09 0.00 0.02 0.00 0.00 56.10 56.35 1rjm s TRP 99 Cb -0.12 -1.65 0.03 0.00 -1.15 0.00 0.00 33.47 30.58 1rjm s TRP 99 CO 0.53 0.10 0.27 0.00 0.02 0.00 0.00 176.95 177.87 1rjm s ALA 100 N -0.56 -0.67 -0.13 0.98 0.00 -1.26 -1.30 121.76 118.83 1rjm s ALA 100 Ca 0.08 0.82 -0.06 0.00 0.00 0.00 0.00 51.96 52.80 1rjm s ALA 100 Cb -0.11 -0.49 -0.03 0.00 0.00 0.00 0.00 23.12 22.49 1rjm s ALA 100 CO 0.01 -0.14 -0.06 0.35 0.00 0.00 0.00 175.76 175.92 1rjm h PHE 101 N 5.97 0.00 -1.67 0.00 3.57 -0.70 -3.41 116.94 120.70 1rjm h PHE 101 Ca -0.28 0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.32 1rjm h PHE 101 Cb 1.19 0.00 -0.22 0.00 2.79 0.00 0.00 35.95 39.71 1rjm h PHE 101 CO 0.39 0.08 0.04 0.00 -2.23 0.00 0.00 178.31 176.59 1rjm n SER 103 N 5.02 1.23 0.00 0.00 3.41 -1.01 -1.40 113.62 120.87 1rjm n SER 103 Ca -0.13 -1.47 0.00 0.00 -0.26 0.00 0.00 58.87 57.01 1rjm n SER 103 Cb 0.52 -0.03 0.00 0.00 -0.26 0.00 0.00 64.21 64.45 1rjm n SER 103 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1rjm n GLY 104 N 1.12 -1.80 3.63 5.00 0.00 -1.04 -4.36 105.19 107.74 1rjm n GLY 104 Ca 0.19 -2.00 -0.35 0.00 0.00 0.00 0.00 46.02 43.86 1rjm n GLY 104 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rjm n GLY 105 N 0.00 -0.34 0.10 -0.02 0.00 -1.26 -0.78 105.19 102.89 1rjm n GLY 105 Ca 0.00 -0.38 -0.18 0.00 0.00 0.00 0.00 46.02 45.46 1rjm n GLY 105 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1rjm h ASP 106 N -0.41 0.00 -1.03 1.61 -0.00 -1.44 -3.42 116.42 111.73 1rjm h ASP 106 Ca -0.47 -0.40 0.00 0.00 -0.00 0.00 0.00 57.03 56.16 1rjm h ASP 106 Cb 1.32 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.65 1rjm h ASP 106 CO 0.47 1.32 0.00 0.18 -0.00 0.00 0.00 179.24 181.20 1rjm n LEU 134 N -4.48 0.00 -4.92 2.28 4.77 -1.26 -5.06 117.00 108.33 1rjm n LEU 134 Ca -0.26 0.32 -0.27 0.00 -0.03 0.00 0.00 56.01 55.76 1rjm n LEU 134 Cb 0.58 -0.48 -0.03 0.00 -2.33 0.00 0.00 43.42 41.17 1rjm n LEU 134 CO 0.17 -0.23 0.13 -2.28 -1.33 0.00 0.00 177.39 173.85 1rjm s HIS 135 N 0.00 3.48 0.47 -1.77 2.46 -1.26 -4.71 115.29 113.96 1rjm s HIS 135 Ca 0.00 0.49 0.34 0.00 0.47 0.00 0.00 55.06 56.36 1rjm s HIS 135 Cb 0.00 -1.98 1.80 0.00 -0.13 0.00 0.00 32.58 32.27 1rjm s HIS 135 CO 0.00 0.24 2.18 0.97 -2.47 0.00 0.00 174.74 175.67 1rjm h ILE 136 N 1.34 0.31 -0.34 0.89 6.09 -2.00 -1.66 117.51 122.15 1rjm h ILE 136 Ca -0.48 -0.28 -0.07 0.00 -1.37 0.00 0.00 64.86 62.65 1rjm h ILE 136 Cb 1.19 1.21 -0.02 0.00 0.47 0.00 0.00 36.82 39.67 1rjm h ILE 136 CO 0.66 0.05 -0.11 -0.07 -3.07 0.00 0.00 178.15 175.61 1rjm h LEU 137 N 0.00 0.55 -1.04 2.19 3.38 -2.00 -1.37 115.31 117.04 1rjm h LEU 137 Ca -0.00 -0.14 -0.10 0.00 0.09 0.00 0.00 57.88 57.73 1rjm h LEU 137 Cb 0.20 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 1rjm h LEU 137 CO 0.01 0.70 -0.37 -0.33 0.09 0.00 0.00 178.44 178.53 1rjm h GLU 138 N 0.53 0.21 -0.34 1.13 5.08 -1.70 -1.96 114.58 117.52 1rjm h GLU 138 Ca 0.10 -0.09 -0.11 0.00 -1.00 0.00 0.00 59.36 58.26 1rjm h GLU 138 Cb 0.50 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 1rjm h GLU 138 CO 0.03 0.56 -0.22 0.28 -1.00 0.00 0.00 179.01 178.65 1rjm h VAL 139 N 0.18 1.29 -0.55 3.13 2.07 -1.34 -1.47 116.25 119.56 1rjm h VAL 139 Ca 0.02 -1.37 0.03 0.00 0.82 0.00 0.00 66.70 66.21 1rjm h VAL 139 Cb 0.74 1.42 -0.04 0.00 -1.52 0.00 0.00 31.29 31.89 1rjm h VAL 139 CO 0.06 0.45 0.31 1.56 0.02 0.00 0.00 177.57 179.97 1rjm h GLN 140 N 0.54 0.59 -0.36 1.57 4.20 -0.88 -1.40 115.11 119.37 1rjm h GLN 140 Ca 0.07 -0.04 -0.11 0.00 0.06 0.00 0.00 58.65 58.63 1rjm h GLN 140 Cb 0.78 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 28.41 1rjm h GLN 140 CO 0.06 0.39 -0.23 0.00 -0.67 0.00 0.00 178.83 178.39 1rjm h ARG 141 N 0.61 0.71 -0.78 1.46 3.08 -1.28 -0.30 114.38 117.87 1rjm h ARG 141 Ca 0.23 -0.28 0.01 0.00 0.07 0.00 0.00 59.98 60.00 1rjm h ARG 141 Cb 0.07 -0.04 -0.04 0.00 0.08 0.00 0.00 29.97 30.05 1rjm h ARG 141 CO -0.12 0.88 0.51 1.25 -1.07 0.00 0.00 179.97 181.41 1rjm h LEU 142 N 0.62 0.91 -0.23 3.04 5.85 -0.72 0.35 115.31 125.13 1rjm h LEU 142 Ca 0.09 -0.03 -0.06 0.00 0.84 0.00 0.00 57.88 58.72 1rjm h LEU 142 Cb 0.72 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.51 1rjm h LEU 142 CO 0.06 0.67 -0.07 0.40 -0.34 0.00 0.00 178.44 179.15 1rjm h ILE 143 N 1.07 1.29 -0.46 4.05 2.04 -0.94 -1.50 117.51 123.06 1rjm h ILE 143 Ca 0.29 -1.09 0.01 0.00 1.00 0.00 0.00 64.86 65.06 1rjm h ILE 143 Cb -0.11 1.53 -0.03 0.00 -0.74 0.00 0.00 36.82 37.48 1rjm h ILE 143 CO -0.06 0.34 0.29 -0.09 0.00 0.00 0.00 178.15 178.62 1rjm h ARG 144 N 0.18 0.56 0.00 2.37 9.65 -0.54 -3.24 114.38 123.37 1rjm h ARG 144 Ca 0.06 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.90 1rjm h ARG 144 Cb 0.54 -0.13 0.00 0.00 -1.39 0.00 0.00 29.97 29.00 1rjm h ARG 144 CO 0.03 0.37 -0.64 0.74 2.80 0.00 0.00 179.97 183.27 1rjm h PHE 145 N 0.58 0.00 -3.49 2.20 0.04 -0.31 -3.47 116.94 112.48 1rjm h PHE 145 Ca 0.17 0.00 -0.52 0.00 2.80 0.00 0.00 57.97 60.42 1rjm h PHE 145 Cb -0.03 0.00 0.05 0.00 2.20 0.00 0.00 35.95 38.17 1rjm h PHE 145 CO -0.06 0.00 0.71 0.00 -0.60 0.00 0.00 178.31 178.36 1rjm s MET 146 N -3.29 4.31 -0.27 1.51 0.23 -0.57 -4.87 119.30 116.35 1rjm s MET 146 Ca 0.03 2.23 -0.06 0.00 -1.03 0.00 0.00 55.69 56.86 1rjm s MET 146 Cb 0.09 -3.12 -0.19 0.00 -1.53 0.00 0.00 34.83 30.08 1rjm s MET 146 CO 0.74 -0.33 2.99 -0.35 -2.03 0.00 0.00 175.02 176.03 1rjm n PRO 147 N 2.05 1.94 -3.75 3.16 -0.04 -1.26 -4.74 135.00 132.35 1rjm n PRO 147 Ca 0.05 -1.04 -0.13 0.00 -0.04 0.00 0.00 63.50 62.34 1rjm n PRO 147 Cb 0.41 -2.06 -0.08 0.00 -0.04 0.00 0.00 33.50 31.72 1rjm n PRO 147 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1rjm s LYS 148 N 1.62 0.71 -0.12 0.54 1.02 -1.26 -4.77 119.74 117.48 1rjm s LYS 148 Ca 0.56 -0.24 -0.27 0.00 0.02 0.00 0.00 55.97 56.03 1rjm s LYS 148 Cb 0.24 0.32 -0.02 0.00 -0.52 0.00 0.00 37.83 37.85 1rjm s LYS 148 CO -0.01 -0.21 0.91 0.08 -0.92 0.00 0.00 175.35 175.21 1rjm s VAL 149 N -1.59 4.85 -0.30 3.17 1.01 -1.09 -4.93 120.40 121.52 1rjm s VAL 149 Ca -0.12 1.84 -0.08 0.00 0.00 0.00 0.00 61.98 63.62 1rjm s VAL 149 Cb -0.04 -4.22 0.00 0.00 0.00 0.00 0.00 36.38 32.12 1rjm s VAL 149 CO 0.03 0.04 0.11 -0.69 0.00 0.00 0.00 175.10 174.59 1rjm s VAL 150 N 1.90 4.21 -0.23 2.92 1.01 -1.26 -1.46 120.40 127.49 1rjm s VAL 150 Ca 0.44 -0.57 -0.08 0.00 0.00 0.00 0.00 61.98 61.77 1rjm s VAL 150 Cb -0.18 -3.15 -0.04 0.00 0.00 0.00 0.00 36.38 33.01 1rjm s VAL 150 CO 0.16 0.08 0.08 -0.63 0.00 0.00 0.00 175.10 174.80 1rjm s ILE 151 N 1.55 4.62 -0.14 2.22 1.01 0.31 -1.48 121.20 129.28 1rjm s ILE 151 Ca 0.03 -0.08 -0.18 0.00 0.00 0.00 0.00 60.65 60.43 1rjm s ILE 151 Cb -0.17 -3.14 -0.04 0.00 0.01 0.00 0.00 42.46 39.12 1rjm s ILE 151 CO 0.04 0.37 0.47 0.00 0.00 0.00 0.00 174.94 175.82 1rjm s LEU 153 N 0.84 5.57 -0.83 0.00 1.43 0.78 -1.27 118.68 125.20 1rjm s LEU 153 Ca 0.25 -2.34 -0.25 0.00 -1.03 0.00 0.00 54.13 50.76 1rjm s LEU 153 Cb -0.15 -1.94 0.03 0.00 0.03 0.00 0.00 46.19 44.15 1rjm s LEU 153 CO 0.10 -0.54 1.45 -0.69 0.23 0.00 0.00 176.35 176.90 1rjm s VAL 154 N 0.71 3.73 -1.66 -1.59 1.01 -0.44 -4.28 120.40 117.87 1rjm s VAL 154 Ca 0.11 -0.07 0.28 0.00 0.00 0.00 0.00 61.98 62.30 1rjm s VAL 154 Cb -0.22 -4.79 0.36 0.00 0.00 0.00 0.00 36.38 31.74 1rjm s VAL 154 CO -0.03 -1.71 1.72 -0.46 0.00 0.00 0.00 175.10 174.62 1rjm n ASN 155 N 9.95 0.70 0.00 3.32 6.94 -1.26 -1.05 115.26 133.86 1rjm n ASN 155 Ca 0.18 -0.68 0.00 0.00 -0.02 0.00 0.00 54.58 54.06 1rjm n ASN 155 Cb 0.50 0.02 0.00 0.00 -2.36 0.00 0.00 39.78 37.93 1rjm n ASN 155 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1rjm n GLY 156 N 1.32 1.80 3.73 4.83 0.00 -1.26 -4.36 105.19 111.24 1rjm n GLY 156 Ca 0.13 0.01 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 1rjm n GLY 156 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1rjm s TRP 157 N 0.64 2.86 -0.39 1.61 0.52 -0.42 -1.84 118.94 121.93 1rjm s TRP 157 Ca 0.00 0.57 0.01 0.00 0.02 0.00 0.00 56.10 56.70 1rjm s TRP 157 Cb 0.00 -4.08 0.12 0.00 -1.15 0.00 0.00 33.47 28.36 1rjm s TRP 157 CO 0.00 -3.90 0.19 0.00 0.02 0.00 0.00 176.95 173.26 1rjm s ALA 158 N 0.66 1.88 0.14 0.98 0.00 0.53 -0.13 121.76 125.81 1rjm s ALA 158 Ca 0.69 -2.26 0.07 0.00 0.00 0.00 0.00 51.96 50.46 1rjm s ALA 158 Cb -0.48 -1.79 -0.04 0.00 0.00 0.00 0.00 23.12 20.81 1rjm s ALA 158 CO 0.39 -1.95 -0.15 0.00 0.00 0.00 0.00 175.76 174.04 1rjm s ALA 159 N 0.80 1.69 0.00 0.00 0.00 -0.49 -1.86 121.76 121.90 1rjm s ALA 159 Ca 0.15 -1.37 0.00 0.00 0.00 0.00 0.00 51.96 50.74 1rjm s ALA 159 Cb -0.22 -0.11 0.00 0.00 0.00 0.00 0.00 23.12 22.78 1rjm s ALA 159 CO -0.07 0.15 0.00 0.41 0.00 0.00 0.00 175.76 176.25 1rjm n GLY 160 N 0.42 3.34 0.30 0.00 0.00 -1.00 -0.50 105.19 107.74 1rjm n GLY 160 Ca -0.14 -0.04 0.14 0.00 0.00 0.00 0.00 46.02 45.98 1rjm n GLY 160 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1rjm h GLY 161 N 0.00 0.00 1.23 -0.02 0.00 -1.89 -0.68 103.07 101.71 1rjm h GLY 161 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.21 1rjm h GLY 161 CO 0.00 0.00 -0.20 -1.33 0.00 0.00 0.00 176.54 175.01 1rjm h GLY 162 N 0.00 0.96 1.02 4.60 0.00 -0.94 -1.55 103.07 107.16 1rjm h GLY 162 Ca 0.02 -0.82 -0.10 0.00 0.00 0.00 0.00 47.33 46.43 1rjm h GLY 162 CO -0.00 0.75 -0.10 0.84 0.00 0.00 0.00 176.54 178.03 1rjm h HIS 163 N 0.77 0.98 -0.79 5.60 2.76 -1.01 -2.84 115.15 120.61 1rjm h HIS 163 Ca 0.11 -0.21 -0.01 0.00 -2.20 0.00 0.00 60.37 58.06 1rjm h HIS 163 Cb 0.74 -0.24 -0.04 0.00 1.55 0.00 0.00 27.41 29.43 1rjm h HIS 163 CO 0.04 0.96 0.45 0.77 -1.30 0.00 0.00 177.93 178.85 1rjm h SER 164 N 0.71 0.97 -0.93 3.26 0.02 -1.20 -1.62 113.55 114.78 1rjm h SER 164 Ca 0.12 -0.07 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 1rjm h SER 164 Cb 0.64 -0.25 -0.05 0.00 0.14 0.00 0.00 62.40 62.89 1rjm h SER 164 CO 0.04 0.77 0.58 -0.07 -1.14 0.00 0.00 176.83 177.02 1rjm h LEU 165 N 1.10 1.09 -0.46 5.07 3.38 -1.11 -2.13 115.31 122.25 1rjm h LEU 165 Ca 0.28 -0.05 -0.11 0.00 0.09 0.00 0.00 57.88 58.09 1rjm h LEU 165 Cb 0.00 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.46 1rjm h LEU 165 CO -0.05 0.82 -0.16 -0.74 0.09 0.00 0.00 178.44 178.41 1rjm h HIS 166 N 1.27 1.05 -0.67 1.13 -0.00 -1.13 -2.99 115.15 113.81 1rjm h HIS 166 Ca 0.34 -0.24 0.01 0.00 -0.00 0.00 0.00 60.37 60.48 1rjm h HIS 166 Cb -0.09 -0.25 -0.04 0.00 -0.00 0.00 0.00 27.41 27.03 1rjm h HIS 166 CO 0.00 1.03 0.43 0.28 -0.00 0.00 0.00 177.93 179.68 1rjm h VAL 167 N 0.77 1.14 0.00 5.26 2.07 -0.90 -2.60 116.25 121.99 1rjm h VAL 167 Ca 0.11 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 67.33 1rjm h VAL 167 Cb 0.72 0.19 0.00 0.00 -1.52 0.00 0.00 31.29 30.68 1rjm h VAL 167 CO 0.05 0.16 0.00 0.55 0.02 0.00 0.00 177.57 178.35 1rjm n VAL 168 N -4.64 0.47 -2.21 2.57 3.14 -0.84 -4.80 118.33 112.01 1rjm n VAL 168 Ca 0.06 0.03 -0.34 0.00 -2.96 0.00 0.00 64.34 61.12 1rjm n VAL 168 Cb 0.04 -0.72 0.00 0.00 -1.06 0.00 0.00 33.84 32.10 1rjm n VAL 168 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1rjm h ASP 170 N 0.98 1.07 -4.97 0.00 3.32 -1.57 -3.45 116.42 111.80 1rjm h ASP 170 Ca -0.49 -0.15 -0.18 0.00 0.02 0.00 0.00 57.03 56.23 1rjm h ASP 170 Cb 1.24 -0.28 -0.19 0.00 0.22 0.00 0.00 39.33 40.33 1rjm h ASP 170 CO 0.57 0.92 -0.70 -0.76 -1.72 0.00 0.00 179.24 177.55 1rjm s LEU 171 N -9.78 2.33 -0.04 1.55 1.43 -1.04 -5.02 118.68 108.10 1rjm s LEU 171 Ca -0.13 -0.67 0.00 0.00 -1.03 0.00 0.00 54.13 52.31 1rjm s LEU 171 Cb 0.16 0.06 0.02 0.00 0.03 0.00 0.00 46.19 46.46 1rjm s LEU 171 CO 0.83 -0.37 -0.02 -0.89 0.23 0.00 0.00 176.35 176.14 1rjm s THR 172 N -2.22 0.32 -0.05 5.49 2.01 -1.26 -0.42 115.64 119.51 1rjm s THR 172 Ca -0.07 0.02 0.06 0.00 0.31 0.00 0.00 61.69 62.01 1rjm s THR 172 Cb -0.04 -0.40 -0.02 0.00 0.01 0.00 0.00 72.50 72.05 1rjm s THR 172 CO -0.03 0.18 -0.21 -0.76 -0.69 0.00 0.00 174.62 173.11 1rjm s LEU 173 N 1.08 2.30 0.03 4.42 1.43 -0.40 -0.22 118.68 127.33 1rjm s LEU 173 Ca -0.09 -0.39 0.04 0.00 -1.03 0.00 0.00 54.13 52.66 1rjm s LEU 173 Cb -0.14 -1.43 -0.02 0.00 0.03 0.00 0.00 46.19 44.63 1rjm s LEU 173 CO -0.01 0.30 -0.11 0.00 0.23 0.00 0.00 176.35 176.76 1rjm s ALA 174 N -0.46 0.88 0.07 4.21 0.00 -0.70 -1.33 121.76 124.43 1rjm s ALA 174 Ca 0.05 -0.67 -0.31 0.00 0.00 0.00 0.00 51.96 51.04 1rjm s ALA 174 Cb -0.12 -0.13 -0.08 0.00 0.00 0.00 0.00 23.12 22.80 1rjm s ALA 174 CO 0.01 0.15 1.69 0.45 0.00 0.00 0.00 175.76 178.06 1rjm s SER 175 N -0.96 6.58 0.16 0.00 0.15 -0.21 -1.14 113.70 118.28 1rjm s SER 175 Ca -0.01 2.51 -0.13 0.00 0.70 0.00 0.00 55.95 59.03 1rjm s SER 175 Cb -0.07 -2.56 0.05 0.00 -1.71 0.00 0.00 66.02 61.73 1rjm s SER 175 CO 0.01 -0.91 1.69 -0.09 1.20 0.00 0.00 173.24 175.13 1rjm h ARG 176 N 8.55 0.83 0.09 5.44 2.43 -1.18 -1.66 114.38 128.88 1rjm h ARG 176 Ca -0.43 -0.18 -0.27 0.00 -0.81 0.00 0.00 59.98 58.29 1rjm h ARG 176 Cb 1.20 -0.12 0.01 0.00 -0.42 0.00 0.00 29.97 30.65 1rjm h ARG 176 CO 0.93 0.77 -1.16 0.93 -1.51 0.00 0.00 179.97 179.93 1rjm h GLU 177 N 0.74 0.45 0.00 0.20 3.07 -1.91 -3.41 114.58 113.71 1rjm h GLU 177 Ca 0.17 -0.60 0.00 0.00 -0.50 0.00 0.00 59.36 58.43 1rjm h GLU 177 Cb 0.28 0.20 0.00 0.00 -0.84 0.00 0.00 28.75 28.39 1rjm h GLU 177 CO -0.01 1.25 -0.72 0.66 -1.40 0.00 0.00 179.01 178.79 1rjm n TYR 178 N -3.70 0.00 -1.89 4.33 4.01 -1.24 -5.01 117.16 113.67 1rjm n TYR 178 Ca -0.10 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.22 1rjm n TYR 178 Cb 0.95 -0.07 -0.03 0.00 -0.31 0.00 0.00 39.34 39.89 1rjm n TYR 178 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1rjm s ALA 179 N -2.04 3.81 -0.09 -0.72 0.00 -0.63 -4.05 121.76 118.05 1rjm s ALA 179 Ca 0.01 1.42 -0.01 0.00 0.00 0.00 0.00 51.96 53.38 1rjm s ALA 179 Cb 0.06 -3.64 0.03 0.00 0.00 0.00 0.00 23.12 19.57 1rjm s ALA 179 CO 0.34 -0.81 -0.00 1.03 0.00 0.00 0.00 175.76 176.31 1rjm s ARG 180 N 1.09 0.69 -0.22 0.00 1.81 -0.76 -3.87 118.95 117.68 1rjm s ARG 180 Ca 0.71 0.02 -0.08 0.00 -1.72 0.00 0.00 55.73 54.66 1rjm s ARG 180 Cb -0.45 -1.14 -0.04 0.00 -0.45 0.00 0.00 34.95 32.87 1rjm s ARG 180 CO 0.32 -0.34 0.08 -0.06 -0.68 0.00 0.00 175.30 174.62 1rjm s PHE 181 N 1.94 3.19 -0.17 -0.53 0.40 0.79 -0.34 117.98 123.25 1rjm s PHE 181 Ca 0.04 -0.09 -0.06 0.00 -0.60 0.00 0.00 56.93 56.23 1rjm s PHE 181 Cb -0.13 -2.17 0.08 0.00 0.51 0.00 0.00 43.02 41.32 1rjm s PHE 181 CO -0.06 -0.05 0.36 0.21 0.70 0.00 0.00 175.22 176.38 1rjm s LYS 182 N 0.95 0.25 -0.59 0.44 2.20 -0.78 0.03 119.74 122.24 1rjm s LYS 182 Ca 0.04 0.92 -0.20 0.00 -0.36 0.00 0.00 55.97 56.38 1rjm s LYS 182 Cb -0.14 0.19 0.09 0.00 -1.51 0.00 0.00 37.83 36.46 1rjm s LYS 182 CO 0.03 -0.26 0.76 -1.14 -0.36 0.00 0.00 175.35 174.38 1rjm s GLN 183 N 2.53 3.08 -0.02 4.03 2.00 -1.26 -2.38 119.66 127.63 1rjm s GLN 183 Ca -0.01 -1.11 -0.22 0.00 -2.00 0.00 0.00 55.36 52.02 1rjm s GLN 183 Cb -0.12 -4.23 -0.22 0.00 0.80 0.00 0.00 33.01 29.24 1rjm s GLN 183 CO -0.11 -1.56 1.10 1.79 -0.50 0.00 0.00 175.29 176.01 1rjm h THR 184 N 5.93 1.47 0.00 -0.34 1.35 -1.88 -3.39 112.91 116.06 1rjm h THR 184 Ca -0.29 -1.91 0.00 0.00 -0.55 0.00 0.00 66.41 63.66 1rjm h THR 184 Cb 1.08 2.58 0.00 0.00 -1.73 0.00 0.00 68.15 70.08 1rjm h THR 184 CO 1.10 0.54 0.00 0.47 -0.25 0.00 0.00 175.52 177.38 1rjm n ASP 185 N -4.40 0.00 -0.31 5.36 8.00 -1.26 0.83 116.55 124.77 1rjm n ASP 185 Ca -0.09 0.00 0.34 0.00 0.71 0.00 0.00 54.79 55.75 1rjm n ASP 185 Cb 0.55 0.00 0.59 0.00 -0.02 0.00 0.00 41.12 42.24 1rjm n ASP 185 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1rjm h ALA 186 N 0.00 3.13 0.00 2.24 0.00 -1.85 -3.42 119.26 119.36 1rjm h ALA 186 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1rjm h ALA 186 Cb 0.00 0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1rjm h ALA 186 CO 0.00 -1.80 0.00 -0.25 0.00 0.00 0.00 179.25 177.20 1rjm n ASP 187 N -3.52 0.00 -3.70 0.00 8.00 0.24 -5.18 116.55 112.38 1rjm n ASP 187 Ca 0.27 0.07 -0.11 0.00 0.71 0.00 0.00 54.79 55.73 1rjm n ASP 187 Cb 1.55 -0.23 -0.06 0.00 -0.02 0.00 0.00 41.12 42.35 1rjm n ASP 187 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 1rjm s PHE 191 N -2.47 -0.16 -0.54 1.24 -0.12 -1.26 -5.20 117.98 109.47 1rjm s PHE 191 Ca 0.10 -0.02 0.00 0.00 -0.05 0.00 0.00 56.93 56.96 1rjm s PHE 191 Cb 0.06 0.16 0.14 0.00 -0.63 0.00 0.00 43.02 42.76 1rjm s PHE 191 CO 0.14 -0.58 0.32 0.34 -0.05 0.00 0.00 175.22 175.38 1rjm s ASP 192 N -2.32 4.88 0.00 1.98 3.68 -1.26 -4.94 116.67 118.69 1rjm s ASP 192 Ca -0.02 -2.75 0.04 0.00 2.13 0.00 0.00 52.55 51.95 1rjm s ASP 192 Cb 0.00 -1.76 0.15 0.00 -1.45 0.00 0.00 42.92 39.86 1rjm s ASP 192 CO -0.06 -0.34 1.11 0.61 0.13 0.00 0.00 175.17 176.62 1rjm n GLY 193 N 3.55 -0.55 0.00 2.66 0.00 -1.26 -2.52 105.19 107.07 1rjm n GLY 193 Ca 0.05 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1rjm n GLY 193 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rjm n GLY 194 N 0.67 0.68 0.24 -0.02 0.00 -1.26 -4.49 105.19 101.01 1rjm n GLY 194 Ca 0.04 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.13 1rjm n GLY 194 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1rjm h TYR 195 N 0.00 0.00 -0.80 1.61 -1.99 -1.96 -0.99 116.97 112.84 1rjm h TYR 195 Ca 0.00 0.00 0.10 0.00 2.00 0.00 0.00 58.73 60.83 1rjm h TYR 195 Cb 0.00 0.00 -0.07 0.00 2.00 0.00 0.00 36.73 38.66 1rjm h TYR 195 CO 0.00 0.12 0.44 0.78 -0.00 0.00 0.00 178.16 179.50 1rjm h GLY 196 N 0.41 1.23 0.00 3.88 0.00 -1.84 -3.14 103.07 103.60 1rjm h GLY 196 Ca -0.00 -0.29 0.00 0.00 0.00 0.00 0.00 47.33 47.04 1rjm h GLY 196 CO 0.02 0.10 -0.18 -1.14 0.00 0.00 0.00 176.54 175.33 1rjm n SER 197 N -4.78 0.47 -0.27 0.19 3.41 -0.98 -4.36 113.62 107.31 1rjm n SER 197 Ca 0.13 0.07 0.08 0.00 -0.26 0.00 0.00 58.87 58.89 1rjm n SER 197 Cb 0.29 -0.40 0.21 0.00 -0.26 0.00 0.00 64.21 64.05 1rjm n SER 197 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1rjm h ALA 198 N -1.10 1.02 0.00 7.33 0.00 -1.39 0.24 119.26 125.36 1rjm h ALA 198 Ca 0.00 0.20 -0.06 0.00 0.00 0.00 0.00 54.91 55.06 1rjm h ALA 198 Cb 0.18 0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1rjm h ALA 198 CO 0.00 -0.40 -0.27 -0.92 0.00 0.00 0.00 179.25 177.66 1rjm h TYR 199 N 0.21 0.00 -0.61 0.00 3.20 -1.55 -2.10 116.97 116.12 1rjm h TYR 199 Ca 0.46 0.00 -0.03 0.00 3.14 0.00 0.00 58.73 62.30 1rjm h TYR 199 Cb 0.84 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 39.08 1rjm h TYR 199 CO -0.30 0.27 0.26 1.25 -1.64 0.00 0.00 178.16 178.00 1rjm h LEU 200 N 0.00 0.80 -2.18 2.82 5.85 -0.60 -1.94 115.31 120.05 1rjm h LEU 200 Ca -0.00 -0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.61 1rjm h LEU 200 Cb 0.56 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 41.38 1rjm h LEU 200 CO 0.04 0.70 -0.04 0.00 -0.34 0.00 0.00 178.44 178.80 1rjm h ALA 201 N 1.42 1.62 -0.02 1.25 0.00 -1.10 0.56 119.26 122.98 1rjm h ALA 201 Ca 0.21 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1rjm h ALA 201 Cb 0.14 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1rjm h ALA 201 CO -0.02 0.05 0.00 0.54 0.00 0.00 0.00 179.25 179.82 1rjm n ARG 202 N -4.03 1.18 -0.03 0.00 5.12 -0.73 -1.21 116.66 116.96 1rjm n ARG 202 Ca -0.03 -0.26 -0.05 0.00 -1.93 0.00 0.00 57.85 55.58 1rjm n ARG 202 Cb 0.13 -1.40 -0.02 0.00 -1.16 0.00 0.00 32.46 30.01 1rjm n ARG 202 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 1rjm n GLN 203 N -0.59 0.13 0.00 5.56 6.02 0.08 -4.84 117.38 123.74 1rjm n GLN 203 Ca 0.18 0.04 0.04 0.00 -0.01 0.00 0.00 57.00 57.25 1rjm n GLN 203 Cb 0.15 -0.94 -0.01 0.00 1.02 0.00 0.00 30.24 30.46 1rjm n GLN 203 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.06 177.38 1rjm n VAL 204 N -2.90 0.00 0.00 5.09 0.24 -0.53 -4.49 118.33 115.74 1rjm n VAL 204 Ca -0.10 -0.39 0.00 0.00 -2.04 0.00 0.00 64.34 61.81 1rjm n VAL 204 Cb 0.59 1.08 0.00 0.00 -1.47 0.00 0.00 33.84 34.04 1rjm n VAL 204 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1rjm n GLY 205 N 0.91 1.80 0.33 7.63 0.00 -0.35 -4.42 105.19 111.10 1rjm n GLY 205 Ca 0.03 -1.83 -0.04 0.00 0.00 0.00 0.00 46.02 44.18 1rjm n GLY 205 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1rjm h GLN 206 N 0.00 1.06 0.38 1.61 1.08 -1.94 -1.55 115.11 115.75 1rjm h GLN 206 Ca 0.00 -0.17 -0.02 0.00 -1.45 0.00 0.00 58.65 57.01 1rjm h GLN 206 Cb 0.00 -0.18 0.00 0.00 -0.05 0.00 0.00 27.48 27.25 1rjm h GLN 206 CO 0.00 0.84 -0.18 0.87 -0.95 0.00 0.00 178.83 179.41 1rjm h LYS 207 N 1.04 -0.50 -0.75 1.46 1.79 -1.95 -2.18 116.57 115.49 1rjm h LYS 207 Ca 0.25 0.03 -0.03 0.00 -2.18 0.00 0.00 60.65 58.72 1rjm h LYS 207 Cb 0.16 0.11 -0.03 0.00 -1.58 0.00 0.00 32.23 30.89 1rjm h LYS 207 CO -0.03 -0.22 0.34 0.74 -1.08 0.00 0.00 179.45 179.21 1rjm h PHE 208 N -0.73 1.09 -0.38 -1.35 0.04 -1.76 -2.21 116.94 111.64 1rjm h PHE 208 Ca -0.05 -0.06 0.01 0.00 2.80 0.00 0.00 57.97 60.67 1rjm h PHE 208 Cb 0.51 -0.34 -0.02 0.00 2.20 0.00 0.00 35.95 38.30 1rjm h PHE 208 CO -0.00 0.81 0.23 0.00 -0.60 0.00 0.00 178.31 178.75 1rjm h ALA 209 N 1.17 0.48 -0.85 2.45 0.00 -1.28 -0.26 119.26 120.97 1rjm h ALA 209 Ca 0.25 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.14 1rjm h ALA 209 Cb 0.14 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 1rjm h ALA 209 CO -0.03 -0.11 0.46 0.00 0.00 0.00 0.00 179.25 179.57 1rjm h ARG 210 N 0.46 1.18 0.32 0.00 3.08 -1.25 -2.33 114.38 115.85 1rjm h ARG 210 Ca 0.15 -0.14 -0.02 0.00 0.07 0.00 0.00 59.98 60.04 1rjm h ARG 210 Cb -0.00 -0.23 0.00 0.00 0.08 0.00 0.00 29.97 29.82 1rjm h ARG 210 CO -0.06 0.87 -0.15 1.49 -1.07 0.00 0.00 179.97 181.04 1rjm h GLU 211 N 1.19 -0.42 -0.84 0.04 4.81 -0.76 0.32 114.58 118.91 1rjm h GLU 211 Ca 0.30 0.03 0.14 0.00 -0.13 0.00 0.00 59.36 59.70 1rjm h GLU 211 Cb 0.04 0.09 -0.09 0.00 0.63 0.00 0.00 28.75 29.42 1rjm h GLU 211 CO -0.05 -0.26 0.43 0.82 -0.73 0.00 0.00 179.01 179.23 1rjm h ILE 212 N -0.45 0.75 0.14 2.32 2.04 -0.83 -2.23 117.51 119.25 1rjm h ILE 212 Ca -0.04 -0.22 -0.21 0.00 1.00 0.00 0.00 64.86 65.39 1rjm h ILE 212 Cb 0.35 0.06 0.02 0.00 -0.74 0.00 0.00 36.82 36.50 1rjm h ILE 212 CO 0.07 0.12 -0.98 -0.26 0.00 0.00 0.00 178.15 177.10 1rjm h PHE 213 N 0.63 0.54 -0.59 1.37 -1.00 -1.21 -2.57 116.94 114.11 1rjm h PHE 213 Ca 0.45 -0.39 -0.07 0.00 2.81 0.00 0.00 57.97 60.77 1rjm h PHE 213 Cb 0.62 -0.02 -0.02 0.00 3.61 0.00 0.00 35.95 40.13 1rjm h PHE 213 CO -0.09 1.38 0.10 0.74 -1.61 0.00 0.00 178.31 178.83 1rjm h PHE 214 N -0.34 1.03 0.00 -0.55 0.04 -0.27 -3.28 116.94 113.57 1rjm h PHE 214 Ca -0.18 -0.14 -0.11 0.00 2.80 0.00 0.00 57.97 60.34 1rjm h PHE 214 Cb 1.69 -0.28 -0.02 0.00 2.20 0.00 0.00 35.95 39.54 1rjm h PHE 214 CO 0.18 0.89 -1.61 1.28 -0.60 0.00 0.00 178.31 178.45 1rjm n LEU 215 N -4.32 0.50 -2.37 1.54 4.32 -0.85 -5.00 117.00 110.83 1rjm n LEU 215 Ca 0.03 0.21 -0.21 0.00 -0.02 0.00 0.00 56.01 56.02 1rjm n LEU 215 Cb 0.27 0.08 -0.01 0.00 -1.62 0.00 0.00 43.42 42.13 1rjm n LEU 215 CO 0.42 0.07 -0.27 0.61 -1.22 0.00 0.00 177.39 177.00 1rjm n GLY 216 N 1.35 -0.42 3.71 -0.72 0.00 -0.97 -4.98 105.19 103.17 1rjm n GLY 216 Ca -0.09 -0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.64 1rjm n GLY 216 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1rjm s ARG 217 N -5.01 0.81 -0.15 1.61 0.52 -1.26 -4.55 118.95 110.92 1rjm s ARG 217 Ca 0.00 0.55 -0.10 0.00 -0.52 0.00 0.00 55.73 55.66 1rjm s ARG 217 Cb 0.00 -1.78 -0.05 0.00 0.52 0.00 0.00 34.95 33.65 1rjm s ARG 217 CO 0.00 -2.48 0.18 0.99 0.02 0.00 0.00 175.30 174.01 1rjm s THR 218 N -3.02 5.40 0.14 0.02 2.01 -1.26 -4.30 115.64 114.63 1rjm s THR 218 Ca 0.64 0.31 0.09 0.00 0.31 0.00 0.00 61.69 63.04 1rjm s THR 218 Cb -0.18 -3.49 -0.04 0.00 0.01 0.00 0.00 72.50 68.80 1rjm s THR 218 CO 0.57 0.51 -0.21 -0.31 -0.69 0.00 0.00 174.62 174.48 1rjm s TYR 219 N -0.23 1.90 0.70 4.92 1.51 0.10 -4.92 117.35 121.34 1rjm s TYR 219 Ca 0.13 -0.43 -0.05 0.00 -1.01 0.00 0.00 57.07 55.72 1rjm s TYR 219 Cb -0.12 -1.00 0.08 0.00 -0.11 0.00 0.00 41.96 40.81 1rjm s TYR 219 CO 0.02 0.29 0.99 0.95 -1.11 0.00 0.00 175.55 176.70 1rjm s THR 220 N -1.51 2.30 0.14 -0.71 -4.23 -1.26 -0.15 115.64 110.22 1rjm s THR 220 Ca 0.12 -0.39 -0.17 0.00 -1.18 0.00 0.00 61.69 60.07 1rjm s THR 220 Cb -0.08 -2.90 -0.01 0.00 1.34 0.00 0.00 72.50 70.84 1rjm s THR 220 CO 0.06 0.00 1.79 0.00 -0.54 0.00 0.00 174.62 175.93 1rjm h ALA 221 N -0.55 0.45 -0.50 3.99 0.00 -1.80 -2.18 119.26 118.66 1rjm h ALA 221 Ca -0.42 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1rjm h ALA 221 Cb 1.29 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 1rjm h ALA 221 CO 0.52 -0.08 0.33 1.49 0.00 0.00 0.00 179.25 181.51 1rjm h GLU 222 N 0.47 0.66 -0.49 0.00 4.57 -1.91 0.32 114.58 118.20 1rjm h GLU 222 Ca 0.13 -0.04 -0.03 0.00 -1.18 0.00 0.00 59.36 58.24 1rjm h GLU 222 Cb -0.04 -0.15 -0.02 0.00 -0.16 0.00 0.00 28.75 28.39 1rjm h GLU 222 CO -0.03 0.44 0.19 1.96 -1.18 0.00 0.00 179.01 180.39 1rjm h GLN 223 N 0.68 0.73 -0.01 1.92 4.20 -1.91 -0.37 115.11 120.35 1rjm h GLN 223 Ca 0.18 -0.14 -0.07 0.00 0.06 0.00 0.00 58.65 58.68 1rjm h GLN 223 Cb -0.07 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 27.58 1rjm h GLN 223 CO -0.04 0.66 -0.33 1.98 -0.67 0.00 0.00 178.83 180.43 1rjm h MET 224 N 0.65 0.02 -0.30 1.46 4.05 -1.21 -1.79 114.93 117.81 1rjm h MET 224 Ca 0.16 -0.01 -0.11 0.00 -0.28 0.00 0.00 59.70 59.46 1rjm h MET 224 Cb 0.21 -0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.00 1rjm h MET 224 CO -0.01 0.35 -0.25 1.25 0.23 0.00 0.00 176.91 178.48 1rjm h HIS 225 N 0.02 0.84 -0.51 1.39 -0.00 -0.34 -1.38 115.15 115.16 1rjm h HIS 225 Ca -0.00 -0.24 -0.02 0.00 -0.00 0.00 0.00 60.37 60.11 1rjm h HIS 225 Cb 0.60 -0.18 -0.03 0.00 -0.00 0.00 0.00 27.41 27.81 1rjm h HIS 225 CO 0.00 0.98 0.25 1.96 -0.00 0.00 0.00 177.93 181.11 1rjm h GLN 226 N 0.46 0.72 0.00 5.26 1.08 -0.57 -2.37 115.11 119.68 1rjm h GLN 226 Ca 0.05 -0.08 0.00 0.00 -1.45 0.00 0.00 58.65 57.17 1rjm h GLN 226 Cb 0.81 -0.14 0.00 0.00 -0.05 0.00 0.00 27.48 28.10 1rjm h GLN 226 CO 0.06 0.56 0.00 0.52 -0.95 0.00 0.00 178.83 179.02 1rjm h MET 227 N 0.72 0.00 0.00 1.46 2.86 -1.14 -3.48 114.93 115.35 1rjm h MET 227 Ca 0.18 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.82 1rjm h MET 227 Cb 0.07 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.73 1rjm h MET 227 CO -0.02 0.00 0.00 0.41 1.06 0.00 0.00 176.91 178.36 1rjm n GLY 228 N 1.03 1.01 0.03 8.32 0.00 -0.68 -4.17 105.19 110.73 1rjm n GLY 228 Ca 0.04 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.17 1rjm n GLY 228 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rjm n ALA 229 N -1.37 3.42 -3.85 4.61 0.00 -0.61 -4.57 120.51 118.15 1rjm n ALA 229 Ca 0.00 -0.44 -0.33 0.00 0.00 0.00 0.00 53.44 52.67 1rjm n ALA 229 Cb 0.00 -0.91 -0.16 0.00 0.00 0.00 0.00 19.45 18.38 1rjm n ALA 229 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1rjm s VAL 230 N -3.24 2.24 0.10 0.00 1.01 -1.13 -4.67 120.40 114.70 1rjm s VAL 230 Ca 0.02 -0.90 -0.19 0.00 0.00 0.00 0.00 61.98 60.91 1rjm s VAL 230 Cb 0.14 -1.93 -0.07 0.00 0.00 0.00 0.00 36.38 34.52 1rjm s VAL 230 CO 0.83 0.53 1.59 0.78 0.00 0.00 0.00 175.10 178.83 1rjm h ASN 231 N 7.68 0.38 -5.02 3.32 4.21 -0.92 -3.39 115.58 121.84 1rjm h ASN 231 Ca -0.40 -0.22 -0.07 0.00 1.21 0.00 0.00 56.30 56.82 1rjm h ASN 231 Cb 1.16 -0.10 -0.17 0.00 -1.12 0.00 0.00 38.32 38.10 1rjm h ASN 231 CO 0.60 0.50 -0.05 0.00 -1.29 0.00 0.00 177.43 177.19 1rjm s ALA 232 N -5.32 -1.15 -0.11 -0.83 0.00 -1.21 -5.06 121.76 108.08 1rjm s ALA 232 Ca -0.14 0.47 -0.04 0.00 0.00 0.00 0.00 51.96 52.25 1rjm s ALA 232 Cb 0.08 0.32 -0.04 0.00 0.00 0.00 0.00 23.12 23.48 1rjm s ALA 232 CO 0.73 -0.46 0.05 0.08 0.00 0.00 0.00 175.76 176.17 1rjm s VAL 233 N -2.32 4.77 0.09 0.00 1.01 -1.26 -1.72 120.40 120.97 1rjm s VAL 233 Ca -0.06 -0.07 0.02 0.00 0.00 0.00 0.00 61.98 61.87 1rjm s VAL 233 Cb -0.01 -3.05 -0.04 0.00 0.00 0.00 0.00 36.38 33.29 1rjm s VAL 233 CO -0.01 0.60 -0.08 0.00 0.00 0.00 0.00 175.10 175.61 1rjm s ALA 234 N -0.82 0.96 0.31 5.51 0.00 -0.29 -4.92 121.76 122.50 1rjm s ALA 234 Ca 0.13 -1.19 -0.29 0.00 0.00 0.00 0.00 51.96 50.60 1rjm s ALA 234 Cb -0.12 0.09 -0.11 0.00 0.00 0.00 0.00 23.12 22.99 1rjm s ALA 234 CO 0.03 -0.13 1.46 -1.21 0.00 0.00 0.00 175.76 175.90 1rjm s GLU 235 N -3.08 4.22 0.20 0.00 0.41 -1.26 -0.62 118.70 118.57 1rjm s GLU 235 Ca 0.06 2.41 -0.19 0.00 -0.41 0.00 0.00 54.97 56.83 1rjm s GLU 235 Cb -0.00 -3.05 0.15 0.00 -1.78 0.00 0.00 34.13 29.45 1rjm s GLU 235 CO -0.02 -0.44 1.59 1.25 -0.49 0.00 0.00 175.26 177.14 1rjm h HIS 236 N 4.15 -0.88 0.00 1.61 2.76 -1.92 0.36 115.15 121.24 1rjm h HIS 236 Ca -0.48 0.07 -0.00 0.00 -2.20 0.00 0.00 60.37 57.76 1rjm h HIS 236 Cb 1.23 0.48 -0.00 0.00 1.55 0.00 0.00 27.41 30.66 1rjm h HIS 236 CO 0.57 -0.38 -0.01 0.00 -1.30 0.00 0.00 177.93 176.81 1rjm h ALA 237 N 1.12 1.15 -0.01 5.26 0.00 -1.90 -2.47 119.26 122.42 1rjm h ALA 237 Ca 0.26 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1rjm h ALA 237 Cb 0.55 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1rjm h ALA 237 CO -0.72 0.02 -0.74 0.39 0.00 0.00 0.00 179.25 178.20 1rjm n GLU 238 N -3.32 0.43 -0.28 0.00 -0.58 0.11 -4.46 120.64 112.54 1rjm n GLU 238 Ca -0.02 -0.35 -0.01 0.00 -0.42 0.00 0.00 57.16 56.36 1rjm n GLU 238 Cb 0.12 -1.49 0.06 0.00 -0.57 0.00 0.00 31.44 29.55 1rjm n GLU 238 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 1rjm h LEU 239 N 0.85 -1.02 -0.55 -4.62 5.85 -0.67 0.21 115.31 115.35 1rjm h LEU 239 Ca 0.00 0.25 -0.16 0.00 0.84 0.00 0.00 57.88 58.81 1rjm h LEU 239 Cb 0.58 0.57 -0.02 0.00 0.37 0.00 0.00 40.66 42.17 1rjm h LEU 239 CO 0.00 -0.28 -0.71 -0.33 -0.34 0.00 0.00 178.44 176.77 1rjm h GLU 240 N -0.05 0.10 -0.42 1.25 5.08 -1.82 -0.40 114.58 118.31 1rjm h GLU 240 Ca 0.33 -0.09 -0.08 0.00 -1.00 0.00 0.00 59.36 58.52 1rjm h GLU 240 Cb 0.58 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.83 1rjm h GLU 240 CO -0.81 0.77 -0.04 1.15 -1.00 0.00 0.00 179.01 179.08 1rjm h THR 241 N 0.07 1.27 -0.54 1.13 2.02 -1.44 -0.12 112.91 115.30 1rjm h THR 241 Ca -0.01 -1.10 -0.10 0.00 0.77 0.00 0.00 66.41 65.97 1rjm h THR 241 Cb 1.26 1.13 -0.02 0.00 -1.74 0.00 0.00 68.15 68.79 1rjm h THR 241 CO 0.10 0.37 -0.04 0.58 0.37 0.00 0.00 175.52 176.90 1rjm h VAL 242 N 0.60 1.26 -0.90 3.16 2.07 -0.58 -2.28 116.25 119.59 1rjm h VAL 242 Ca 0.11 -1.15 0.02 0.00 0.82 0.00 0.00 66.70 66.50 1rjm h VAL 242 Cb 0.55 0.89 -0.05 0.00 -1.52 0.00 0.00 31.29 31.16 1rjm h VAL 242 CO 0.03 0.41 0.59 1.23 0.02 0.00 0.00 177.57 179.85 1rjm h GLY 243 N 0.98 1.28 2.00 2.17 0.00 -0.63 -1.51 103.07 107.37 1rjm h GLY 243 Ca 0.15 -0.46 -0.09 0.00 0.00 0.00 0.00 47.33 46.93 1rjm h GLY 243 CO 0.03 0.44 -0.43 1.41 0.00 0.00 0.00 176.54 177.99 1rjm h LEU 244 N 1.19 0.00 -0.22 3.11 3.38 -0.77 -0.81 115.31 121.18 1rjm h LEU 244 Ca 0.34 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.25 1rjm h LEU 244 Cb -0.09 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 1rjm h LEU 244 CO -0.09 0.43 -0.08 -0.61 0.09 0.00 0.00 178.44 178.19 1rjm h GLN 245 N 0.00 0.44 -0.58 1.13 -0.00 -0.75 -0.42 115.11 114.93 1rjm h GLN 245 Ca -0.00 -0.18 -0.02 0.00 -0.00 0.00 0.00 58.65 58.44 1rjm h GLN 245 Cb 0.77 -0.02 -0.03 0.00 0.00 0.00 0.00 27.48 28.21 1rjm h GLN 245 CO 0.06 0.70 0.27 -1.49 0.00 0.00 0.00 178.83 178.37 1rjm h TRP 246 N 0.16 0.84 -0.89 3.99 4.06 -1.12 -1.71 115.95 121.28 1rjm h TRP 246 Ca 0.05 -0.05 0.02 0.00 2.06 0.00 0.00 58.89 60.97 1rjm h TRP 246 Cb 0.55 -0.26 -0.05 0.00 -1.00 0.00 0.00 29.16 28.40 1rjm h TRP 246 CO 0.06 0.65 0.59 0.00 -3.56 0.00 0.00 178.44 176.18 1rjm h ALA 247 N 1.11 1.14 -0.42 1.49 0.00 -1.01 -1.60 119.26 119.97 1rjm h ALA 247 Ca 0.20 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 1rjm h ALA 247 Cb 0.13 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 1rjm h ALA 247 CO -0.02 0.50 0.11 0.00 0.00 0.00 0.00 179.25 179.83 1rjm h ALA 248 N 1.34 0.55 -0.63 0.00 0.00 -0.57 0.27 119.26 120.23 1rjm h ALA 248 Ca 0.33 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 1rjm h ALA 248 Cb -0.10 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.50 1rjm h ALA 248 CO -0.09 0.23 0.30 0.93 0.00 0.00 0.00 179.25 180.63 1rjm h GLU 249 N 0.54 0.89 -0.20 0.00 5.08 -0.95 -0.13 114.58 119.80 1rjm h GLU 249 Ca 0.13 -0.11 -0.05 0.00 -1.00 0.00 0.00 59.36 58.33 1rjm h GLU 249 Cb 0.31 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 1rjm h GLU 249 CO 0.00 0.69 -0.08 0.82 -1.00 0.00 0.00 179.01 179.43 1rjm h ILE 250 N 0.89 1.30 0.00 3.13 2.04 -0.92 -3.01 117.51 120.93 1rjm h ILE 250 Ca 0.22 -1.13 0.00 0.00 1.00 0.00 0.00 64.86 64.95 1rjm h ILE 250 Cb 0.09 1.63 0.00 0.00 -0.74 0.00 0.00 36.82 37.80 1rjm h ILE 250 CO -0.03 0.34 0.00 0.78 0.00 0.00 0.00 178.15 179.24 1rjm h ASN 251 N 0.11 0.00 0.72 1.72 2.35 -0.63 -2.76 115.58 117.09 1rjm h ASN 251 Ca 0.05 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.80 1rjm h ASN 251 Cb 0.56 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.93 1rjm h ASN 251 CO 0.03 0.00 0.00 0.00 -1.65 0.00 0.00 177.43 175.81 1rjm n ALA 252 N -2.03 2.01 -2.08 -0.83 0.00 -0.09 -4.82 120.51 112.66 1rjm n ALA 252 Ca 0.01 -0.08 -0.21 0.00 0.00 0.00 0.00 53.44 53.16 1rjm n ALA 252 Cb 0.27 -1.35 0.06 0.00 0.00 0.00 0.00 19.45 18.42 1rjm n ALA 252 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1rjm s LYS 253 N -2.96 2.28 -0.05 0.00 1.02 -1.04 -5.03 119.74 113.95 1rjm s LYS 253 Ca 0.11 -1.71 -0.30 0.00 0.02 0.00 0.00 55.97 54.10 1rjm s LYS 253 Cb 0.14 -2.57 -0.06 0.00 -0.52 0.00 0.00 37.83 34.82 1rjm s LYS 253 CO 0.39 -0.86 1.80 0.45 -0.92 0.00 0.00 175.35 176.21 1rjm s SER 254 N -4.63 6.47 0.22 2.83 0.15 -1.26 -4.89 113.70 112.58 1rjm s SER 254 Ca 0.58 2.29 -0.09 0.00 0.70 0.00 0.00 55.95 59.43 1rjm s SER 254 Cb -0.05 -2.53 0.23 0.00 -1.71 0.00 0.00 66.02 61.96 1rjm s SER 254 CO 0.37 -1.09 1.84 -0.65 1.20 0.00 0.00 173.24 174.92 1rjm h PRO 255 N 10.46 0.84 -0.72 5.44 0.11 -1.91 -0.72 132.00 145.51 1rjm h PRO 255 Ca -0.42 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 65.62 1rjm h PRO 255 Cb 1.20 -0.19 -0.03 0.00 0.11 0.00 0.00 31.00 32.09 1rjm h PRO 255 CO 0.96 0.55 0.38 0.37 -0.21 0.00 0.00 178.00 180.05 1rjm h GLN 256 N 0.86 0.99 -0.37 1.05 5.75 -2.00 -0.57 115.11 120.83 1rjm h GLN 256 Ca 0.30 -0.11 -0.08 0.00 -0.15 0.00 0.00 58.65 58.61 1rjm h GLN 256 Cb 0.07 -0.20 -0.01 0.00 1.07 0.00 0.00 27.48 28.41 1rjm h GLN 256 CO -0.13 0.74 -0.08 0.00 -2.65 0.00 0.00 178.83 176.70 1rjm h ALA 257 N 1.42 0.51 -0.60 3.38 0.00 -1.74 -1.38 119.26 120.86 1rjm h ALA 257 Ca 0.25 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1rjm h ALA 257 Cb 0.04 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 1rjm h ALA 257 CO -0.04 0.35 0.33 1.96 0.00 0.00 0.00 179.25 181.86 1rjm h GLN 258 N 0.51 0.83 0.01 0.00 1.08 -0.56 0.07 115.11 117.05 1rjm h GLN 258 Ca 0.09 -0.09 -0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1rjm h GLN 258 Cb 0.59 -0.16 0.00 0.00 -0.05 0.00 0.00 27.48 27.85 1rjm h GLN 258 CO 0.03 0.63 -0.01 0.00 -0.95 0.00 0.00 178.83 178.53 1rjm h ARG 259 N 0.81 -0.02 -0.71 1.46 3.08 -0.99 -1.17 114.38 116.84 1rjm h ARG 259 Ca 0.21 0.00 0.05 0.00 0.07 0.00 0.00 59.98 60.31 1rjm h ARG 259 Cb 0.03 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.03 1rjm h ARG 259 CO -0.04 0.04 0.42 0.52 -1.07 0.00 0.00 179.97 179.84 1rjm h MET 260 N -0.07 0.77 -0.32 0.04 2.86 -1.02 -2.26 114.93 114.93 1rjm h MET 260 Ca -0.00 -0.05 -0.02 0.00 -2.06 0.00 0.00 59.70 57.57 1rjm h MET 260 Cb 0.07 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 31.54 1rjm h MET 260 CO 0.00 0.51 0.11 -0.07 1.06 0.00 0.00 176.91 178.52 1rjm h LEU 261 N 0.79 0.45 -0.31 1.22 3.38 -0.73 -0.39 115.31 119.71 1rjm h LEU 261 Ca 0.31 -0.19 0.03 0.00 0.09 0.00 0.00 57.88 58.12 1rjm h LEU 261 Cb 0.13 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 1rjm h LEU 261 CO -0.16 0.51 0.13 0.50 0.09 0.00 0.00 178.44 179.52 1rjm h LYS 262 N 0.36 0.28 0.00 1.13 3.64 -0.93 -0.36 116.57 120.69 1rjm h LYS 262 Ca 0.10 -0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 59.40 1rjm h LYS 262 Cb 0.22 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.96 1rjm h LYS 262 CO -0.01 0.18 -0.31 0.74 -2.27 0.00 0.00 179.45 177.78 1rjm h PHE 263 N 0.28 0.00 -0.37 1.91 0.04 -1.29 -1.06 116.94 116.45 1rjm h PHE 263 Ca 0.13 0.00 -0.13 0.00 2.80 0.00 0.00 57.97 60.78 1rjm h PHE 263 Cb 0.08 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.22 1rjm h PHE 263 CO -0.12 0.31 -0.29 0.00 -0.60 0.00 0.00 178.31 177.62 1rjm h ALA 264 N 1.69 0.80 -0.27 2.45 0.00 -0.10 0.84 119.26 124.68 1rjm h ALA 264 Ca -0.00 -0.40 -0.15 0.00 0.00 0.00 0.00 54.91 54.36 1rjm h ALA 264 Cb 0.63 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1rjm h ALA 264 CO 0.04 0.65 -0.43 0.74 0.00 0.00 0.00 179.25 180.25 1rjm h PHE 265 N 0.67 0.79 -0.35 0.00 0.04 -0.54 -3.17 116.94 114.38 1rjm h PHE 265 Ca 0.08 -0.24 -0.09 0.00 2.80 0.00 0.00 57.97 60.52 1rjm h PHE 265 Cb 0.82 -0.16 -0.01 0.00 2.20 0.00 0.00 35.95 38.79 1rjm h PHE 265 CO 0.04 0.97 -0.12 -0.91 -0.60 0.00 0.00 178.31 177.70 1rjm h ASN 266 N 0.53 0.70 -1.27 2.17 4.21 -0.95 -3.20 115.58 117.78 1rjm h ASN 266 Ca 0.04 -0.38 0.37 0.00 1.21 0.00 0.00 56.30 57.53 1rjm h ASN 266 Cb 0.96 -0.19 -0.07 0.00 -1.12 0.00 0.00 38.32 37.90 1rjm h ASN 266 CO 0.09 0.93 0.89 0.25 -1.29 0.00 0.00 177.43 178.29 1rjm h LEU 267 N 0.48 0.10 -1.73 1.61 5.85 -0.80 0.86 115.31 121.69 1rjm h LEU 267 Ca 0.08 0.03 0.03 0.00 0.84 0.00 0.00 57.88 58.87 1rjm h LEU 267 Cb 0.64 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.66 1rjm h LEU 267 CO 0.04 -0.00 0.24 -0.07 -0.34 0.00 0.00 178.44 178.31 1rjm h LEU 268 N 0.08 0.31 -0.03 2.25 3.38 -1.64 -3.32 115.31 116.33 1rjm h LEU 268 Ca 0.64 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.61 1rjm h LEU 268 Cb 2.34 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 43.02 1rjm h LEU 268 CO -0.10 0.21 0.00 0.47 0.09 0.00 0.00 178.44 179.11 1rjm n ASP 269 N -4.48 0.03 -1.18 -0.43 8.00 0.14 -4.78 116.55 113.85 1rjm n ASP 269 Ca 0.04 -0.38 0.07 0.00 0.71 0.00 0.00 54.79 55.22 1rjm n ASP 269 Cb 0.17 0.69 0.25 0.00 -0.02 0.00 0.00 41.12 42.21 1rjm n ASP 269 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1rjm n ASP 270 N -0.69 3.43 0.00 -2.24 8.00 -0.29 -5.03 116.55 119.73 1rjm n ASP 270 Ca 0.00 -2.28 0.00 0.00 0.71 0.00 0.00 54.79 53.22 1rjm n ASP 270 Cb 0.00 -0.47 0.00 0.00 -0.02 0.00 0.00 41.12 40.63 1rjm n ASP 270 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1rjm n GLY 271 N 0.94 2.12 0.35 0.44 0.00 -1.26 -1.54 105.19 106.24 1rjm n GLY 271 Ca 0.18 -0.23 0.08 0.00 0.00 0.00 0.00 46.02 46.05 1rjm n GLY 271 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1rjm h LEU 272 N 0.00 0.57 -0.54 0.99 3.38 -1.96 -0.28 115.31 117.48 1rjm h LEU 272 Ca 0.00 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 1rjm h LEU 272 Cb 0.00 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 1rjm h LEU 272 CO 0.00 0.37 0.13 0.58 0.09 0.00 0.00 178.44 179.61 1rjm h VAL 273 N 0.65 1.24 -0.69 1.22 2.07 -1.85 0.24 116.25 119.13 1rjm h VAL 273 Ca 0.29 -0.86 -0.07 0.00 0.82 0.00 0.00 66.70 66.87 1rjm h VAL 273 Cb 0.30 0.78 -0.03 0.00 -1.52 0.00 0.00 31.29 30.82 1rjm h VAL 273 CO -0.09 0.32 0.15 1.23 0.02 0.00 0.00 177.57 179.19 1rjm h GLY 274 N 0.75 1.20 1.01 2.17 0.00 -0.21 -1.96 103.07 106.05 1rjm h GLY 274 Ca 0.17 -0.77 -0.06 0.00 0.00 0.00 0.00 47.33 46.67 1rjm h GLY 274 CO 0.00 0.72 0.14 -1.61 0.00 0.00 0.00 176.54 175.78 1rjm h GLN 275 N 1.05 0.94 -0.15 4.80 4.15 -0.60 -1.71 115.11 123.59 1rjm h GLN 275 Ca 0.21 -0.23 0.02 0.00 0.77 0.00 0.00 58.65 59.43 1rjm h GLN 275 Cb 0.40 -0.12 -0.02 0.00 0.21 0.00 0.00 27.48 27.94 1rjm h GLN 275 CO 0.01 0.88 -0.00 0.37 -1.93 0.00 0.00 178.83 178.15 1rjm h GLN 276 N 0.85 0.05 -0.50 1.69 4.15 -0.19 0.14 115.11 121.30 1rjm h GLN 276 Ca 0.18 -0.00 -0.04 0.00 0.77 0.00 0.00 58.65 59.56 1rjm h GLN 276 Cb 0.36 -0.01 -0.02 0.00 0.21 0.00 0.00 27.48 28.02 1rjm h GLN 276 CO 0.00 0.03 0.14 -0.07 -1.93 0.00 0.00 178.83 177.00 1rjm h LEU 277 N 0.05 0.75 -0.09 -2.39 3.38 -1.25 0.32 115.31 116.07 1rjm h LEU 277 Ca 0.07 -0.22 -0.02 0.00 0.09 0.00 0.00 57.88 57.80 1rjm h LEU 277 Cb 0.09 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.64 1rjm h LEU 277 CO -0.12 0.77 -0.01 0.15 0.09 0.00 0.00 178.44 179.32 1rjm h PHE 278 N 0.68 0.17 -0.44 1.13 3.57 -1.12 -1.85 116.94 119.08 1rjm h PHE 278 Ca 0.16 -0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.60 1rjm h PHE 278 Cb 0.31 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 38.98 1rjm h PHE 278 CO 0.02 0.43 0.17 0.00 -2.23 0.00 0.00 178.31 176.70 1rjm h ALA 279 N 0.72 1.46 -0.87 2.41 0.00 -0.68 0.02 119.26 122.32 1rjm h ALA 279 Ca 0.02 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 1rjm h ALA 279 Cb 0.37 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 1rjm h ALA 279 CO 0.01 0.41 0.48 0.78 0.00 0.00 0.00 179.25 180.92 1rjm h GLY 280 N 0.79 1.30 2.00 0.00 0.00 -0.14 -0.40 103.07 106.62 1rjm h GLY 280 Ca 0.15 -0.59 -0.10 0.00 0.00 0.00 0.00 47.33 46.79 1rjm h GLY 280 CO -0.01 0.57 -0.50 0.83 0.00 0.00 0.00 176.54 177.43 1rjm h GLU 281 N 1.22 0.00 -0.20 4.80 4.39 -0.63 -2.90 114.58 121.25 1rjm h GLU 281 Ca 0.31 0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.90 1rjm h GLU 281 Cb 0.03 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.67 1rjm h GLU 281 CO -0.05 0.50 -0.33 0.00 -1.16 0.00 0.00 179.01 177.97 1rjm h ALA 282 N 1.50 1.05 0.00 3.43 0.00 -0.15 0.40 119.26 125.50 1rjm h ALA 282 Ca -0.00 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1rjm h ALA 282 Cb 1.22 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1rjm h ALA 282 CO 0.06 0.58 0.00 2.41 0.00 0.00 0.00 179.25 182.31 1rjm n THR 283 N -4.08 0.51 -0.89 0.00 -1.04 -0.24 -5.09 114.28 103.46 1rjm n THR 283 Ca -0.01 0.13 0.00 0.00 -2.04 0.00 0.00 64.05 62.13 1rjm n THR 283 Cb 0.45 -1.00 0.00 0.00 -1.82 0.00 0.00 70.33 67.96 1rjm n THR 283 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97