#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rjm n MET -1 N 0.00 0.00 -3.63 0.00 0.00 -1.26 -5.05 117.12 107.19 2rjm n MET -1 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 57.70 57.33 2rjm n MET -1 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 33.22 33.12 2rjm n MET -1 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2rjm s ALA 0 N 0.00 3.55 0.90 3.17 0.00 -1.26 -4.94 121.76 123.19 2rjm s ALA 0 Ca 0.00 -1.01 -0.11 0.00 0.00 0.00 0.00 51.96 50.84 2rjm s ALA 0 Cb 0.00 -2.40 0.13 0.00 0.00 0.00 0.00 23.12 20.85 2rjm s ALA 0 CO 0.00 -0.40 1.09 -1.25 0.00 0.00 0.00 175.76 175.20 2rjm s PRO 1 N 1.46 1.24 0.60 0.00 0.04 -1.26 0.14 135.00 137.22 2rjm s PRO 1 Ca 0.07 0.85 -0.18 0.00 0.04 0.00 0.00 61.00 61.78 2rjm s PRO 1 Cb -0.15 -1.80 -0.03 0.00 0.04 0.00 0.00 34.50 32.55 2rjm s PRO 1 CO 0.08 -2.26 1.18 -2.14 0.04 0.00 0.00 177.00 173.90 2rjm s PRO 2 N -4.92 2.98 -0.12 0.56 0.02 -1.26 -4.36 135.00 127.91 2rjm s PRO 2 Ca 0.63 1.75 -0.04 0.00 0.02 0.00 0.00 61.00 63.36 2rjm s PRO 2 Cb -0.18 -1.94 0.06 0.00 0.02 0.00 0.00 34.50 32.46 2rjm s PRO 2 CO 0.57 -1.18 0.24 0.12 -0.33 0.00 0.00 177.00 176.42 2rjm s PHE 3 N -1.71 -0.36 -0.57 6.54 5.36 0.48 -4.25 117.98 123.48 2rjm s PHE 3 Ca 0.75 0.87 -0.28 0.00 -0.96 0.00 0.00 56.93 57.32 2rjm s PHE 3 Cb -0.28 -0.08 0.01 0.00 -0.34 0.00 0.00 43.02 42.33 2rjm s PHE 3 CO 0.33 -0.32 1.48 -0.06 -1.46 0.00 0.00 175.22 175.19 2rjm s PHE 4 N 2.25 2.19 -1.77 10.12 0.08 -1.26 -0.29 117.98 129.28 2rjm s PHE 4 Ca 0.00 0.48 0.26 0.00 0.12 0.00 0.00 56.93 57.80 2rjm s PHE 4 Cb -0.12 -4.36 0.73 0.00 -0.57 0.00 0.00 43.02 38.71 2rjm s PHE 4 CO -0.08 -2.07 1.55 -0.40 -0.10 0.00 0.00 175.22 174.12 2rjm n ASP 5 N 9.96 1.07 -3.86 1.36 5.75 0.43 -4.62 116.55 126.65 2rjm n ASP 5 Ca 0.13 -0.92 -0.21 0.00 -0.01 0.00 0.00 54.79 53.78 2rjm n ASP 5 Cb 0.49 0.15 -0.17 0.00 -1.03 0.00 0.00 41.12 40.56 2rjm n ASP 5 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 2rjm s LEU 6 N -2.49 1.10 0.15 -2.12 2.96 -1.07 -4.95 118.68 112.26 2rjm s LEU 6 Ca 0.24 -0.13 0.03 0.00 -0.22 0.00 0.00 54.13 54.05 2rjm s LEU 6 Cb 0.19 -0.47 -0.04 0.00 0.50 0.00 0.00 46.19 46.37 2rjm s LEU 6 CO 0.52 -0.10 0.25 -0.54 -1.32 0.00 0.00 176.35 175.15 2rjm s LYS 7 N 1.29 3.32 0.68 1.98 1.02 -1.26 -1.28 119.74 125.49 2rjm s LYS 7 Ca -0.05 -0.65 -0.11 0.00 0.02 0.00 0.00 55.97 55.18 2rjm s LYS 7 Cb -0.14 -2.90 -0.00 0.00 -0.52 0.00 0.00 37.83 34.27 2rjm s LYS 7 CO -0.02 0.52 1.05 -1.25 -0.92 0.00 0.00 175.35 174.73 2rjm s PRO 8 N -3.15 3.08 -0.18 -1.68 0.04 -1.21 -4.79 135.00 127.11 2rjm s PRO 8 Ca 0.34 0.91 -0.03 0.00 0.04 0.00 0.00 61.00 62.26 2rjm s PRO 8 Cb -0.11 -2.01 -0.02 0.00 0.04 0.00 0.00 34.50 32.40 2rjm s PRO 8 CO 0.27 -0.99 -0.04 0.08 0.04 0.00 0.00 177.00 176.36 2rjm s VAL 9 N -3.07 3.62 0.45 -0.36 1.01 -1.26 -4.69 120.40 116.09 2rjm s VAL 9 Ca 0.57 -0.44 -0.25 0.00 0.00 0.00 0.00 61.98 61.87 2rjm s VAL 9 Cb -0.13 -2.61 -0.09 0.00 0.00 0.00 0.00 36.38 33.55 2rjm s VAL 9 CO 0.55 0.46 1.28 -1.20 0.00 0.00 0.00 175.10 176.19 2rjm n SER 10 N 4.08 2.56 -3.97 3.32 7.64 -1.26 -4.79 113.62 121.19 2rjm n SER 10 Ca -0.18 1.08 -0.09 0.00 1.01 0.00 0.00 58.87 60.70 2rjm n SER 10 Cb 0.52 -1.51 -0.10 0.00 -1.01 0.00 0.00 64.21 62.11 2rjm n SER 10 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2rjm s VAL 11 N -1.22 0.15 -0.15 0.44 0.11 -0.48 -4.92 120.40 114.33 2rjm s VAL 11 Ca 0.63 -1.27 -0.02 0.00 -2.93 0.00 0.00 61.98 58.39 2rjm s VAL 11 Cb -0.49 -1.00 -0.02 0.00 -1.53 0.00 0.00 36.38 33.34 2rjm s VAL 11 CO 0.56 -0.70 -0.07 -1.81 -3.33 0.00 0.00 175.10 169.76 2rjm s ASP 12 N -2.29 4.47 0.07 3.54 1.01 -1.26 -0.30 116.67 121.91 2rjm s ASP 12 Ca -0.03 -0.23 0.09 0.00 0.71 0.00 0.00 52.55 53.09 2rjm s ASP 12 Cb 0.00 -1.72 -0.03 0.00 1.01 0.00 0.00 42.92 42.19 2rjm s ASP 12 CO -0.06 0.15 -0.23 -0.76 0.21 0.00 0.00 175.17 174.48 2rjm s LEU 13 N 0.47 2.22 0.19 1.23 1.43 0.13 -4.91 118.68 119.43 2rjm s LEU 13 Ca -0.06 -0.61 -0.30 0.00 -1.03 0.00 0.00 54.13 52.13 2rjm s LEU 13 Cb -0.15 -1.08 -0.08 0.00 0.03 0.00 0.00 46.19 44.91 2rjm s LEU 13 CO 0.03 0.17 1.19 0.00 0.23 0.00 0.00 176.35 177.97 2rjm s ALA 14 N -0.92 3.43 0.14 4.21 0.00 -1.26 -1.18 121.76 126.17 2rjm s ALA 14 Ca 0.10 0.94 -0.29 0.00 0.00 0.00 0.00 51.96 52.71 2rjm s ALA 14 Cb -0.10 -3.41 -0.16 0.00 0.00 0.00 0.00 23.12 19.45 2rjm s ALA 14 CO 0.03 -0.35 0.61 1.28 0.00 0.00 0.00 175.76 177.33 2rjm n LEU 15 N 2.44 -0.87 0.00 0.00 4.77 -0.96 -0.90 117.00 121.47 2rjm n LEU 15 Ca 0.04 1.05 0.00 0.00 -0.03 0.00 0.00 56.01 57.07 2rjm n LEU 15 Cb 0.45 -0.87 0.00 0.00 -2.33 0.00 0.00 43.42 40.67 2rjm n LEU 15 CO 0.55 -2.51 0.00 0.61 -1.33 0.00 0.00 177.39 174.71 2rjm n GLY 16 N 1.73 2.98 0.00 -0.72 0.00 0.64 -4.91 105.19 104.92 2rjm n GLY 16 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 2rjm n GLY 16 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2rjm n GLU 17 N -0.84 0.82 -3.96 1.61 1.02 -0.08 -4.27 120.64 114.93 2rjm n GLU 17 Ca 0.00 0.00 -0.09 0.00 -0.02 0.00 0.00 57.16 57.05 2rjm n GLU 17 Cb 0.00 0.00 -0.08 0.00 -0.02 0.00 0.00 31.44 31.34 2rjm n GLU 17 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 2rjm s SER 18 N -1.00 0.14 0.25 1.62 1.04 -1.26 0.26 113.70 114.74 2rjm s SER 18 Ca 0.00 -0.84 -0.21 0.00 0.48 0.00 0.00 55.95 55.38 2rjm s SER 18 Cb 0.00 0.36 0.06 0.00 0.10 0.00 0.00 66.02 66.54 2rjm s SER 18 CO 0.00 -0.79 0.90 -0.83 0.98 0.00 0.00 173.24 173.50 2rjm s GLY 19 N -2.93 0.04 -0.03 7.32 0.00 -1.09 -5.00 107.32 105.63 2rjm s GLY 19 Ca 0.13 -0.31 0.01 0.00 0.00 0.00 0.00 44.72 44.55 2rjm s GLY 19 CO -0.05 0.56 -0.05 -1.59 0.00 0.00 0.00 173.10 171.97 2rjm s THR 20 N -2.84 0.49 0.00 0.90 2.01 -1.26 -0.70 115.64 114.24 2rjm s THR 20 Ca 0.15 -0.14 -0.10 0.00 0.31 0.00 0.00 61.69 61.92 2rjm s THR 20 Cb -0.03 -0.50 -0.05 0.00 0.01 0.00 0.00 72.50 71.93 2rjm s THR 20 CO 0.06 0.19 0.32 -0.36 -0.69 0.00 0.00 174.62 174.15 2rjm s PHE 21 N 0.65 3.63 -0.02 4.92 0.08 0.51 -4.95 117.98 122.79 2rjm s PHE 21 Ca -0.08 0.74 -0.01 0.00 0.12 0.00 0.00 56.93 57.70 2rjm s PHE 21 Cb -0.12 -2.11 0.02 0.00 -0.57 0.00 0.00 43.02 40.24 2rjm s PHE 21 CO -0.00 0.62 0.04 0.21 -0.10 0.00 0.00 175.22 175.99 2rjm s LYS 22 N -1.49 0.01 0.20 0.44 2.20 -1.26 -0.92 119.74 118.91 2rjm s LYS 22 Ca 0.26 0.14 -0.07 0.00 -0.36 0.00 0.00 55.97 55.94 2rjm s LYS 22 Cb -0.14 -0.12 -0.02 0.00 -1.51 0.00 0.00 37.83 36.03 2rjm s LYS 22 CO 0.14 -0.10 0.28 0.00 -0.36 0.00 0.00 175.35 175.32 2rjm s HIS 24 N -4.05 0.81 0.14 0.00 2.46 -0.40 -0.97 115.29 113.28 2rjm s HIS 24 Ca 0.26 -0.18 0.10 0.00 0.47 0.00 0.00 55.06 55.72 2rjm s HIS 24 Cb 0.03 -0.56 -0.04 0.00 -0.13 0.00 0.00 32.58 31.88 2rjm s HIS 24 CO 0.07 -0.06 -0.23 0.54 -2.47 0.00 0.00 174.74 172.59 2rjm s VAL 25 N 0.05 2.48 0.31 0.89 0.11 -0.51 -0.43 120.40 123.31 2rjm s VAL 25 Ca -0.01 -1.73 0.08 0.00 -2.93 0.00 0.00 61.98 57.39 2rjm s VAL 25 Cb -0.06 -2.13 -0.06 0.00 -1.53 0.00 0.00 36.38 32.60 2rjm s VAL 25 CO 0.00 0.05 -0.07 0.42 -3.33 0.00 0.00 175.10 172.17 2rjm s THR 26 N -1.21 1.90 0.00 5.04 -4.23 0.60 -4.82 115.64 112.92 2rjm s THR 26 Ca 0.17 -2.16 0.00 0.00 -1.18 0.00 0.00 61.69 58.52 2rjm s THR 26 Cb -0.10 -2.55 0.00 0.00 1.34 0.00 0.00 72.50 71.19 2rjm s THR 26 CO 0.08 -0.24 0.00 0.61 -0.54 0.00 0.00 174.62 174.53 2rjm n GLY 27 N -0.68 1.50 3.72 3.99 0.00 -1.26 -0.38 105.19 112.07 2rjm n GLY 27 Ca -0.05 -1.96 -0.42 0.00 0.00 0.00 0.00 46.02 43.59 2rjm n GLY 27 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2rjm s THR 28 N -1.23 3.66 0.48 2.61 2.01 0.12 -4.93 115.64 118.35 2rjm s THR 28 Ca 0.00 1.20 -0.18 0.00 0.31 0.00 0.00 61.69 63.02 2rjm s THR 28 Cb 0.00 -3.77 -0.09 0.00 0.01 0.00 0.00 72.50 68.65 2rjm s THR 28 CO 0.00 0.10 0.96 0.00 -0.69 0.00 0.00 174.62 174.99 2rjm s ALA 29 N 1.02 3.07 0.27 7.40 0.00 -1.26 -4.09 121.76 128.16 2rjm s ALA 29 Ca 0.61 0.25 -0.26 0.00 0.00 0.00 0.00 51.96 52.57 2rjm s ALA 29 Cb -0.33 -3.11 -0.09 0.00 0.00 0.00 0.00 23.12 19.58 2rjm s ALA 29 CO 0.30 -0.08 0.89 -1.25 0.00 0.00 0.00 175.76 175.62 2rjm s PRO 30 N -3.70 4.58 -0.25 0.00 0.04 -1.26 -4.95 135.00 129.47 2rjm s PRO 30 Ca 0.60 1.27 -0.09 0.00 0.04 0.00 0.00 61.00 62.81 2rjm s PRO 30 Cb -0.10 -2.97 -0.04 0.00 0.04 0.00 0.00 34.50 31.44 2rjm s PRO 30 CO 0.24 0.38 0.13 0.42 0.04 0.00 0.00 177.00 178.21 2rjm s ILE 31 N -1.46 4.95 0.14 0.56 1.01 -1.26 -4.57 121.20 120.58 2rjm s ILE 31 Ca 0.45 0.04 -0.30 0.00 0.00 0.00 0.00 60.65 60.85 2rjm s ILE 31 Cb -0.20 -3.32 -0.07 0.00 0.01 0.00 0.00 42.46 38.88 2rjm s ILE 31 CO 0.25 0.32 1.01 -0.75 0.00 0.00 0.00 174.94 175.77 2rjm s LYS 32 N 1.44 4.66 -0.13 2.79 2.20 0.73 -4.85 119.74 126.58 2rjm s LYS 32 Ca 0.06 1.55 0.03 0.00 -0.36 0.00 0.00 55.97 57.25 2rjm s LYS 32 Cb -0.15 -3.34 0.01 0.00 -1.51 0.00 0.00 37.83 32.84 2rjm s LYS 32 CO 0.06 0.17 -0.22 0.42 -0.36 0.00 0.00 175.35 175.43 2rjm s ILE 33 N -0.11 2.12 0.12 5.43 -1.09 -1.26 -1.06 121.20 125.34 2rjm s ILE 33 Ca 0.48 -0.97 0.06 0.00 -2.23 0.00 0.00 60.65 57.99 2rjm s ILE 33 Cb -0.26 -1.84 -0.04 0.00 -1.58 0.00 0.00 42.46 38.75 2rjm s ILE 33 CO 0.32 0.55 -0.14 0.42 -1.23 0.00 0.00 174.94 174.85 2rjm s THR 34 N 0.74 1.32 0.24 2.92 -4.23 -0.43 -4.99 115.64 111.21 2rjm s THR 34 Ca -0.09 -1.67 0.10 0.00 -1.18 0.00 0.00 61.69 58.85 2rjm s THR 34 Cb -0.16 -1.49 -0.04 0.00 1.34 0.00 0.00 72.50 72.15 2rjm s THR 34 CO -0.00 -0.39 -0.11 0.26 -0.54 0.00 0.00 174.62 173.85 2rjm s TRP 35 N -2.02 2.52 0.01 3.99 0.52 -1.26 0.25 118.94 122.95 2rjm s TRP 35 Ca 0.08 -0.27 0.00 0.00 0.02 0.00 0.00 56.10 55.93 2rjm s TRP 35 Cb -0.06 -1.15 -0.01 0.00 -1.15 0.00 0.00 33.47 31.10 2rjm s TRP 35 CO 0.03 0.61 -0.02 0.00 0.02 0.00 0.00 176.95 177.59 2rjm s ALA 36 N -2.16 0.08 -0.20 0.98 0.00 0.10 -0.78 121.76 119.78 2rjm s ALA 36 Ca 0.28 -0.33 -0.00 0.00 0.00 0.00 0.00 51.96 51.91 2rjm s ALA 36 Cb -0.07 0.08 0.02 0.00 0.00 0.00 0.00 23.12 23.15 2rjm s ALA 36 CO 0.16 -0.08 -0.14 0.21 0.00 0.00 0.00 175.76 175.91 2rjm s LYS 37 N -0.80 3.03 -1.50 0.00 2.20 -0.27 -0.80 119.74 121.60 2rjm s LYS 37 Ca -0.09 -0.82 -0.06 0.00 -0.36 0.00 0.00 55.97 54.64 2rjm s LYS 37 Cb -0.05 -2.75 0.05 0.00 -1.51 0.00 0.00 37.83 33.57 2rjm s LYS 37 CO -0.01 -0.25 0.55 -0.25 -0.36 0.00 0.00 175.35 175.03 2rjm n ASP 38 N 4.66 -1.39 0.00 1.43 8.00 -0.01 -1.19 116.55 128.05 2rjm n ASP 38 Ca -0.19 -1.00 0.00 0.00 0.71 0.00 0.00 54.79 54.31 2rjm n ASP 38 Cb 0.49 -3.00 0.00 0.00 -0.02 0.00 0.00 41.12 38.59 2rjm n ASP 38 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2rjm n ASN 39 N -2.89 0.00 -4.68 -2.24 5.03 -1.26 -5.00 115.26 104.23 2rjm n ASN 39 Ca -0.18 0.00 -0.42 0.00 0.87 0.00 0.00 54.58 54.85 2rjm n ASN 39 Cb 0.62 -0.20 -0.03 0.00 -1.02 0.00 0.00 39.78 39.15 2rjm n ASN 39 CO 0.00 0.00 0.00 -0.60 -1.83 0.00 0.00 177.26 174.83 2rjm s ARG 40 N 0.00 4.36 0.18 3.52 3.52 -0.33 -4.93 118.95 125.26 2rjm s ARG 40 Ca 0.00 1.20 -0.33 0.00 -0.13 0.00 0.00 55.73 56.47 2rjm s ARG 40 Cb 0.00 -3.56 -0.15 0.00 -1.56 0.00 0.00 34.95 29.69 2rjm s ARG 40 CO 0.00 -0.32 1.41 -1.91 -0.81 0.00 0.00 175.30 173.67 2rjm n GLU 41 N 5.11 1.77 -3.03 5.12 2.13 -1.26 -1.11 120.64 129.37 2rjm n GLU 41 Ca 0.07 0.63 -0.41 0.00 0.66 0.00 0.00 57.16 58.11 2rjm n GLU 41 Cb 0.49 -2.30 -0.05 0.00 0.27 0.00 0.00 31.44 29.85 2rjm n GLU 41 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 2rjm s ILE 42 N 0.32 4.97 0.03 6.31 1.01 0.04 -4.86 121.20 129.02 2rjm s ILE 42 Ca 0.75 1.36 0.02 0.00 0.00 0.00 0.00 60.65 62.78 2rjm s ILE 42 Cb -0.75 -4.02 -0.04 0.00 0.01 0.00 0.00 42.46 37.67 2rjm s ILE 42 CO 0.46 0.08 0.04 -0.13 0.00 0.00 0.00 174.94 175.39 2rjm s ARG 43 N 1.98 2.86 0.76 2.79 0.52 -1.26 -4.71 118.95 121.89 2rjm s ARG 43 Ca 0.33 -0.62 -0.11 0.00 -0.52 0.00 0.00 55.73 54.80 2rjm s ARG 43 Cb -0.16 -2.72 0.05 0.00 0.52 0.00 0.00 34.95 32.64 2rjm s ARG 43 CO 0.11 0.61 1.10 -1.25 0.02 0.00 0.00 175.30 175.88 2rjm s PRO 44 N -1.91 2.30 0.00 3.54 0.04 -1.26 -4.26 135.00 133.44 2rjm s PRO 44 Ca 0.24 1.21 0.00 0.00 0.04 0.00 0.00 61.00 62.49 2rjm s PRO 44 Cb -0.12 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.52 2rjm s PRO 44 CO 0.15 -1.61 0.00 0.41 0.04 0.00 0.00 177.00 175.99 2rjm n GLY 45 N -1.07 0.63 0.00 0.56 0.00 -1.26 -5.05 105.19 98.99 2rjm n GLY 45 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 2rjm n GLY 45 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2rjm n GLY 46 N -2.00 2.98 0.12 -0.02 0.00 -1.26 -4.99 105.19 100.01 2rjm n GLY 46 Ca 0.00 -1.05 0.15 0.00 0.00 0.00 0.00 46.02 45.12 2rjm n GLY 46 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2rjm n ASN 47 N 0.00 0.39 -4.18 1.61 5.15 -1.26 -4.81 115.26 112.15 2rjm n ASN 47 Ca 0.00 -0.94 -0.33 0.00 -0.60 0.00 0.00 54.58 52.71 2rjm n ASN 47 Cb 0.00 -0.04 -0.16 0.00 -0.53 0.00 0.00 39.78 39.05 2rjm n ASN 47 CO 0.00 0.00 0.00 -0.31 1.40 0.00 0.00 177.26 178.35 2rjm s TYR 48 N -2.14 2.71 -0.18 1.20 2.02 -1.26 0.16 117.35 119.86 2rjm s TYR 48 Ca 0.41 -1.32 0.01 0.00 -0.37 0.00 0.00 57.07 55.80 2rjm s TYR 48 Cb 0.21 -1.84 0.02 0.00 -0.40 0.00 0.00 41.96 39.95 2rjm s TYR 48 CO 0.39 -0.61 -0.19 0.21 -1.57 0.00 0.00 175.55 173.78 2rjm s LYS 49 N 0.88 3.01 -0.07 -0.62 2.20 0.06 -4.42 119.74 120.78 2rjm s LYS 49 Ca -0.05 -0.82 -0.02 0.00 -0.36 0.00 0.00 55.97 54.72 2rjm s LYS 49 Cb -0.15 -2.59 -0.04 0.00 -1.51 0.00 0.00 37.83 33.54 2rjm s LYS 49 CO -0.03 -0.20 0.04 -1.64 -0.36 0.00 0.00 175.35 173.16 2rjm s MET 50 N 1.28 3.05 0.06 4.03 -1.94 -1.26 -1.40 119.30 123.13 2rjm s MET 50 Ca 0.05 -0.39 0.04 0.00 -1.71 0.00 0.00 55.69 53.67 2rjm s MET 50 Cb -0.13 -2.86 -0.03 0.00 2.01 0.00 0.00 34.83 33.82 2rjm s MET 50 CO -0.12 0.70 -0.12 0.95 -0.01 0.00 0.00 175.02 176.42 2rjm s THR 51 N -0.98 0.89 -0.21 2.05 -4.23 -0.72 -4.97 115.64 107.47 2rjm s THR 51 Ca 0.16 -1.24 -0.05 0.00 -1.18 0.00 0.00 61.69 59.38 2rjm s THR 51 Cb -0.12 -0.91 0.08 0.00 1.34 0.00 0.00 72.50 72.89 2rjm s THR 51 CO 0.05 -0.30 0.12 -0.22 -0.54 0.00 0.00 174.62 173.73 2rjm s LEU 52 N -1.72 0.34 -0.16 4.79 2.96 -1.26 -0.30 118.68 123.34 2rjm s LEU 52 Ca -0.05 -0.76 0.00 0.00 -0.22 0.00 0.00 54.13 53.10 2rjm s LEU 52 Cb -0.10 -0.20 0.03 0.00 0.50 0.00 0.00 46.19 46.42 2rjm s LEU 52 CO 0.01 -0.37 -0.10 0.68 -1.32 0.00 0.00 176.35 175.26 2rjm s VAL 53 N 2.15 1.34 -1.20 1.68 -7.23 -0.26 -4.87 120.40 112.00 2rjm s VAL 53 Ca 0.04 -0.63 -0.25 0.00 -1.81 0.00 0.00 61.98 59.33 2rjm s VAL 53 Cb -0.16 -1.38 0.02 0.00 0.56 0.00 0.00 36.38 35.42 2rjm s VAL 53 CO -0.17 0.29 0.70 -0.62 -0.31 0.00 0.00 175.10 174.99 2rjm n GLU 54 N 4.82 -0.89 -0.82 4.82 1.02 -1.26 -1.16 120.64 127.16 2rjm n GLU 54 Ca -0.14 0.27 0.00 0.00 -0.02 0.00 0.00 57.16 57.27 2rjm n GLU 54 Cb 0.49 -3.41 0.00 0.00 -0.02 0.00 0.00 31.44 28.50 2rjm n GLU 54 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2rjm n ASN 55 N -2.47 -1.07 -4.59 1.62 3.02 -1.26 -4.99 115.26 105.52 2rjm n ASN 55 Ca -0.12 0.00 -0.39 0.00 -0.03 0.00 0.00 54.58 54.04 2rjm n ASN 55 Cb 0.59 -1.37 -0.10 0.00 -0.61 0.00 0.00 39.78 38.28 2rjm n ASN 55 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2rjm s THR 56 N -2.31 5.23 -0.10 3.41 2.01 -0.31 -1.42 115.64 122.14 2rjm s THR 56 Ca 0.00 0.38 -0.01 0.00 0.31 0.00 0.00 61.69 62.37 2rjm s THR 56 Cb 0.00 -3.64 -0.03 0.00 0.01 0.00 0.00 72.50 68.84 2rjm s THR 56 CO 0.00 0.18 -0.06 0.00 -0.69 0.00 0.00 174.62 174.05 2rjm s ALA 57 N 1.94 2.99 0.09 7.40 0.00 -0.14 -1.11 121.76 132.94 2rjm s ALA 57 Ca 0.12 -0.86 0.06 0.00 0.00 0.00 0.00 51.96 51.28 2rjm s ALA 57 Cb -0.16 -1.35 -0.03 0.00 0.00 0.00 0.00 23.12 21.58 2rjm s ALA 57 CO 0.10 0.44 -0.16 0.95 0.00 0.00 0.00 175.76 177.10 2rjm s THR 58 N -0.39 1.29 -0.08 0.00 -4.23 0.58 -1.67 115.64 111.14 2rjm s THR 58 Ca 0.06 -1.45 0.00 0.00 -1.18 0.00 0.00 61.69 59.12 2rjm s THR 58 Cb -0.12 -1.28 0.02 0.00 1.34 0.00 0.00 72.50 72.46 2rjm s THR 58 CO 0.02 -0.23 -0.06 -0.22 -0.54 0.00 0.00 174.62 173.59 2rjm s LEU 59 N -1.93 1.16 -0.16 4.79 0.20 -0.10 -1.75 118.68 120.88 2rjm s LEU 59 Ca 0.02 -0.23 -0.03 0.00 0.69 0.00 0.00 54.13 54.58 2rjm s LEU 59 Cb -0.09 -0.69 -0.02 0.00 -0.43 0.00 0.00 46.19 44.96 2rjm s LEU 59 CO 0.03 -0.10 -0.04 -0.89 -0.29 0.00 0.00 176.35 175.06 2rjm s THR 60 N 1.45 3.74 -0.34 3.68 2.01 -0.49 -0.36 115.64 125.33 2rjm s THR 60 Ca -0.01 -0.40 -0.19 0.00 0.31 0.00 0.00 61.69 61.40 2rjm s THR 60 Cb -0.13 -2.65 -0.00 0.00 0.01 0.00 0.00 72.50 69.73 2rjm s THR 60 CO -0.04 0.48 0.56 -0.69 -0.69 0.00 0.00 174.62 174.24 2rjm s VAL 61 N 0.56 4.97 -0.03 3.82 1.01 0.12 -0.77 120.40 130.09 2rjm s VAL 61 Ca -0.03 0.52 -0.24 0.00 0.00 0.00 0.00 61.98 62.23 2rjm s VAL 61 Cb -0.14 -3.99 -0.22 0.00 0.00 0.00 0.00 36.38 32.03 2rjm s VAL 61 CO 0.03 -0.21 1.11 -0.07 0.00 0.00 0.00 175.10 175.95 2rjm h LEU 62 N 9.16 0.23 -7.18 3.92 3.38 -0.58 -2.89 115.31 121.35 2rjm h LEU 62 Ca -0.27 -0.70 -0.46 0.00 0.09 0.00 0.00 57.88 56.54 2rjm h LEU 62 Cb 1.12 -0.07 -0.40 0.00 0.09 0.00 0.00 40.66 41.40 2rjm h LEU 62 CO 0.79 0.89 -0.75 -0.75 0.09 0.00 0.00 178.44 178.71 2rjm s LYS 63 N -3.44 0.25 0.07 1.13 2.20 -1.25 -4.34 119.74 114.35 2rjm s LYS 63 Ca -0.16 -0.09 -0.31 0.00 -0.36 0.00 0.00 55.97 55.05 2rjm s LYS 63 Cb 0.02 -1.66 -0.07 0.00 -1.51 0.00 0.00 37.83 34.61 2rjm s LYS 63 CO 0.74 -0.59 1.45 0.08 -0.36 0.00 0.00 175.35 176.67 2rjm s VAL 64 N 2.05 3.36 0.35 4.02 1.01 0.14 -4.81 120.40 126.52 2rjm s VAL 64 Ca 0.02 0.88 0.09 0.00 0.00 0.00 0.00 61.98 62.97 2rjm s VAL 64 Cb -0.15 -3.57 -0.06 0.00 0.00 0.00 0.00 36.38 32.60 2rjm s VAL 64 CO -0.08 0.03 0.02 0.42 0.00 0.00 0.00 175.10 175.50 2rjm s THR 65 N 1.81 2.57 0.50 3.92 -4.23 -1.26 -0.26 115.64 118.69 2rjm s THR 65 Ca 0.66 -1.96 0.23 0.00 -1.18 0.00 0.00 61.69 59.44 2rjm s THR 65 Cb -0.36 -2.82 0.38 0.00 1.34 0.00 0.00 72.50 71.05 2rjm s THR 65 CO 0.29 -0.18 1.98 0.07 -0.54 0.00 0.00 174.62 176.24 2rjm h LYS 66 N 1.78 0.11 0.00 3.99 2.10 -1.98 -1.27 116.57 121.30 2rjm h LYS 66 Ca -0.43 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.22 2rjm h LYS 66 Cb 1.25 -0.02 0.00 0.00 -0.90 0.00 0.00 32.23 32.56 2rjm h LYS 66 CO 0.68 0.07 0.00 0.41 -2.00 0.00 0.00 179.45 178.61 2rjm n GLY 67 N -1.61 -1.10 0.04 0.07 0.00 -1.26 -2.48 105.19 98.85 2rjm n GLY 67 Ca 0.11 0.07 0.13 0.00 0.00 0.00 0.00 46.02 46.32 2rjm n GLY 67 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2rjm n ASP 68 N -2.02 0.55 -4.74 1.61 8.00 -0.48 -4.84 116.55 114.62 2rjm n ASP 68 Ca 0.02 0.17 -0.42 0.00 0.71 0.00 0.00 54.79 55.27 2rjm n ASP 68 Cb 0.17 -0.10 -0.00 0.00 -0.02 0.00 0.00 41.12 41.17 2rjm n ASP 68 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2rjm n ALA 69 N -1.68 1.91 0.00 2.24 0.00 -1.04 -4.84 120.51 117.11 2rjm n ALA 69 Ca 0.05 0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.84 2rjm n ALA 69 Cb 0.39 -2.35 0.00 0.00 0.00 0.00 0.00 19.45 17.49 2rjm n ALA 69 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2rjm n GLY 70 N 0.59 -0.25 3.65 0.00 0.00 -0.97 -4.98 105.19 103.22 2rjm n GLY 70 Ca 0.03 -1.52 -0.39 0.00 0.00 0.00 0.00 46.02 44.13 2rjm n GLY 70 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2rjm s GLN 71 N -2.00 4.14 -0.23 1.61 0.74 -1.26 -0.66 119.66 121.99 2rjm s GLN 71 Ca 0.00 0.33 -0.11 0.00 0.05 0.00 0.00 55.36 55.63 2rjm s GLN 71 Cb 0.00 -3.59 -0.05 0.00 1.10 0.00 0.00 33.01 30.47 2rjm s GLN 71 CO 0.00 -0.20 0.17 0.71 -0.55 0.00 0.00 175.29 175.42 2rjm s TYR 72 N 1.83 3.34 -0.10 1.67 2.02 0.41 -0.83 117.35 125.68 2rjm s TYR 72 Ca 0.22 0.28 0.03 0.00 -0.37 0.00 0.00 57.07 57.23 2rjm s TYR 72 Cb -0.15 -2.27 0.01 0.00 -0.40 0.00 0.00 41.96 39.14 2rjm s TYR 72 CO 0.09 0.10 -0.19 0.99 -1.57 0.00 0.00 175.55 174.97 2rjm s THR 73 N 0.94 1.74 -0.27 -0.71 2.01 0.02 -0.84 115.64 118.53 2rjm s THR 73 Ca 0.09 -0.81 -0.12 0.00 0.31 0.00 0.00 61.69 61.15 2rjm s THR 73 Cb -0.13 -1.53 -0.05 0.00 0.01 0.00 0.00 72.50 70.80 2rjm s THR 73 CO 0.04 0.49 0.24 0.00 -0.69 0.00 0.00 174.62 174.70 2rjm s TYR 75 N 1.76 3.57 -0.00 0.00 2.02 0.14 -1.20 117.35 123.63 2rjm s TYR 75 Ca 0.10 0.55 0.08 0.00 -0.37 0.00 0.00 57.07 57.42 2rjm s TYR 75 Cb -0.16 -2.05 -0.02 0.00 -0.40 0.00 0.00 41.96 39.34 2rjm s TYR 75 CO 0.10 0.61 -0.25 0.00 -1.57 0.00 0.00 175.55 174.44 2rjm s ALA 76 N -0.67 2.09 -0.06 3.71 0.00 0.11 -1.32 121.76 125.63 2rjm s ALA 76 Ca 0.15 -1.11 -0.10 0.00 0.00 0.00 0.00 51.96 50.90 2rjm s ALA 76 Cb -0.12 -0.51 0.02 0.00 0.00 0.00 0.00 23.12 22.51 2rjm s ALA 76 CO 0.04 0.51 0.24 -1.54 0.00 0.00 0.00 175.76 175.00 2rjm s SER 77 N -0.75 -0.18 0.00 0.00 1.04 -0.23 -1.47 113.70 112.11 2rjm s SER 77 Ca 0.10 0.26 0.00 0.00 0.48 0.00 0.00 55.95 56.79 2rjm s SER 77 Cb -0.10 0.40 0.00 0.00 0.10 0.00 0.00 66.02 66.43 2rjm s SER 77 CO -0.00 -0.22 0.00 -0.46 0.98 0.00 0.00 173.24 173.54 2rjm n ASN 78 N 2.29 0.00 0.14 7.02 0.23 -0.07 -0.19 115.26 124.67 2rjm n ASN 78 Ca -0.17 -0.95 0.05 0.00 -0.53 0.00 0.00 54.58 52.98 2rjm n ASN 78 Cb 0.57 0.00 0.48 0.00 -2.08 0.00 0.00 39.78 38.75 2rjm n ASN 78 CO 0.00 0.00 0.00 0.58 -0.93 0.00 0.00 177.26 176.91 2rjm h VAL 79 N 0.95 1.10 0.00 3.53 2.07 -1.87 -2.88 116.25 119.15 2rjm h VAL 79 Ca 0.00 -0.37 -0.02 0.00 0.82 0.00 0.00 66.70 67.13 2rjm h VAL 79 Cb 0.00 0.97 -0.00 0.00 -1.52 0.00 0.00 31.29 30.73 2rjm h VAL 79 CO 0.00 0.13 -0.24 0.00 0.02 0.00 0.00 177.57 177.48 2rjm h ALA 80 N 1.79 0.88 0.00 1.67 0.00 -1.92 -3.49 119.26 118.19 2rjm h ALA 80 Ca 0.06 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2rjm h ALA 80 Cb 0.14 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2rjm h ALA 80 CO 0.00 0.11 0.00 0.41 0.00 0.00 0.00 179.25 179.77 2rjm n GLY 81 N 1.14 -0.52 3.26 0.00 0.00 -1.09 -4.65 105.19 103.32 2rjm n GLY 81 Ca 0.03 -0.91 -0.13 0.00 0.00 0.00 0.00 46.02 45.01 2rjm n GLY 81 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2rjm s LYS 82 N -1.56 0.63 0.19 1.61 1.02 -1.26 -0.90 119.74 119.48 2rjm s LYS 82 Ca 0.00 -0.01 0.00 0.00 0.02 0.00 0.00 55.97 55.98 2rjm s LYS 82 Cb 0.00 0.29 -0.04 0.00 -0.52 0.00 0.00 37.83 37.55 2rjm s LYS 82 CO 0.00 -0.16 0.08 0.34 -0.92 0.00 0.00 175.35 174.69 2rjm s ASP 83 N -0.98 0.66 0.12 2.83 2.15 -0.54 -4.70 116.67 116.21 2rjm s ASP 83 Ca -0.10 -1.30 -0.13 0.00 0.43 0.00 0.00 52.55 51.44 2rjm s ASP 83 Cb -0.04 0.25 0.02 0.00 -0.30 0.00 0.00 42.92 42.85 2rjm s ASP 83 CO 0.04 -0.73 0.33 -0.94 -0.17 0.00 0.00 175.17 173.69 2rjm s SER 84 N -3.18 -0.10 0.04 -0.34 1.04 -1.26 -0.71 113.70 109.20 2rjm s SER 84 Ca 0.32 -0.46 -0.11 0.00 0.48 0.00 0.00 55.95 56.18 2rjm s SER 84 Cb 0.07 0.43 0.01 0.00 0.10 0.00 0.00 66.02 66.63 2rjm s SER 84 CO 0.08 -0.82 0.23 0.00 0.98 0.00 0.00 173.24 173.71 2rjm s SER 86 N -2.13 0.52 0.07 0.00 0.01 -1.26 -0.18 113.70 110.72 2rjm s SER 86 Ca -0.04 -0.50 -0.03 0.00 1.31 0.00 0.00 55.95 56.69 2rjm s SER 86 Cb -0.01 0.06 -0.03 0.00 0.21 0.00 0.00 66.02 66.26 2rjm s SER 86 CO -0.04 -0.24 0.03 0.00 0.41 0.00 0.00 173.24 173.40 2rjm s ALA 87 N -1.35 0.40 -0.10 1.44 0.00 -0.02 -4.75 121.76 117.39 2rjm s ALA 87 Ca -0.12 -1.12 -0.04 0.00 0.00 0.00 0.00 51.96 50.68 2rjm s ALA 87 Cb -0.10 0.39 -0.04 0.00 0.00 0.00 0.00 23.12 23.38 2rjm s ALA 87 CO -0.00 -0.41 0.04 -1.14 0.00 0.00 0.00 175.76 174.24 2rjm s GLN 88 N -3.92 3.17 -0.24 0.00 2.00 -1.26 -0.45 119.66 118.96 2rjm s GLN 88 Ca 0.09 -0.33 -0.07 0.00 -2.00 0.00 0.00 55.36 53.04 2rjm s GLN 88 Cb 0.07 -2.93 -0.03 0.00 0.80 0.00 0.00 33.01 30.92 2rjm s GLN 88 CO -0.09 0.69 0.07 -1.17 -0.50 0.00 0.00 175.29 174.30 2rjm s LEU 89 N -0.83 3.54 -0.05 3.68 2.96 0.16 -1.38 118.68 126.77 2rjm s LEU 89 Ca 0.13 -0.14 -0.04 0.00 -0.22 0.00 0.00 54.13 53.86 2rjm s LEU 89 Cb -0.12 -1.94 -0.04 0.00 0.50 0.00 0.00 46.19 44.59 2rjm s LEU 89 CO 0.03 0.01 0.14 -0.83 -1.32 0.00 0.00 176.35 174.37 2rjm s GLY 90 N 1.37 2.12 -0.16 7.98 0.00 0.59 -2.29 107.32 116.94 2rjm s GLY 90 Ca 0.05 -0.75 -0.00 0.00 0.00 0.00 0.00 44.72 44.02 2rjm s GLY 90 CO 0.04 -0.58 -0.14 0.14 0.00 0.00 0.00 173.10 172.55 2rjm s VAL 91 N -1.18 2.71 -0.20 1.40 1.01 -1.26 0.18 120.40 123.06 2rjm s VAL 91 Ca 0.22 -0.75 -0.15 0.00 0.00 0.00 0.00 61.98 61.30 2rjm s VAL 91 Cb -0.12 -2.15 -0.04 0.00 0.00 0.00 0.00 36.38 34.06 2rjm s VAL 91 CO 0.12 0.51 0.35 -1.10 0.00 0.00 0.00 175.10 174.98 2rjm s GLN 92 N 0.86 4.17 -0.01 2.72 -0.21 -0.33 -4.93 119.66 121.94 2rjm s GLN 92 Ca -0.04 0.12 -0.08 0.00 0.02 0.00 0.00 55.36 55.37 2rjm s GLN 92 Cb -0.15 -3.52 -0.05 0.00 1.00 0.00 0.00 33.01 30.29 2rjm s GLN 92 CO -0.01 0.02 0.29 0.00 -2.12 0.00 0.00 175.29 173.47 2rjm s ALA 93 N 1.13 3.81 0.90 6.09 0.00 -1.26 -2.28 121.76 130.15 2rjm s ALA 93 Ca 0.17 -0.50 -0.12 0.00 0.00 0.00 0.00 51.96 51.51 2rjm s ALA 93 Cb -0.14 -2.13 0.13 0.00 0.00 0.00 0.00 23.12 20.98 2rjm s ALA 93 CO 0.07 0.60 1.10 -1.25 0.00 0.00 0.00 175.76 176.28 2rjm s PRO 94 N -1.52 1.27 0.59 0.00 0.04 -1.26 -2.16 135.00 131.95 2rjm s PRO 94 Ca 0.25 0.70 -0.19 0.00 0.04 0.00 0.00 61.00 61.81 2rjm s PRO 94 Cb -0.14 -1.82 -0.04 0.00 0.04 0.00 0.00 34.50 32.55 2rjm s PRO 94 CO 0.14 -2.20 1.20 -2.14 0.04 0.00 0.00 177.00 174.03 2rjm s PRO 95 N -5.00 3.00 -0.08 0.56 0.02 -1.26 -4.38 135.00 127.85 2rjm s PRO 95 Ca 0.63 1.79 -0.07 0.00 0.02 0.00 0.00 61.00 63.38 2rjm s PRO 95 Cb -0.17 -1.94 0.02 0.00 0.02 0.00 0.00 34.50 32.44 2rjm s PRO 95 CO 0.56 -1.18 0.21 -0.98 -0.33 0.00 0.00 177.00 175.29 2rjm s ARG 96 N -3.35 0.23 -0.54 5.54 1.70 -0.46 -4.48 118.95 117.60 2rjm s ARG 96 Ca 0.77 0.32 -0.26 0.00 -0.47 0.00 0.00 55.73 56.08 2rjm s ARG 96 Cb -0.29 0.08 0.03 0.00 -0.57 0.00 0.00 34.95 34.20 2rjm s ARG 96 CO 0.33 -0.05 1.05 -0.06 -1.08 0.00 0.00 175.30 175.49 2rjm s PHE 97 N 0.27 2.74 0.10 5.89 0.08 -1.26 -0.88 117.98 124.92 2rjm s PHE 97 Ca -0.01 0.28 -0.17 0.00 0.12 0.00 0.00 56.93 57.15 2rjm s PHE 97 Cb -0.03 -4.26 -0.05 0.00 -0.57 0.00 0.00 43.02 38.11 2rjm s PHE 97 CO -0.01 -1.39 1.53 0.82 -0.10 0.00 0.00 175.22 176.07 2rjm h ILE 98 N 6.10 1.26 -3.24 0.64 2.04 -0.59 -3.42 117.51 120.30 2rjm h ILE 98 Ca -0.25 -0.99 -0.56 0.00 1.00 0.00 0.00 64.86 64.06 2rjm h ILE 98 Cb 1.07 1.27 -0.37 0.00 -0.74 0.00 0.00 36.82 38.05 2rjm h ILE 98 CO 1.12 0.32 -0.81 -0.75 0.00 0.00 0.00 178.15 178.03 2rjm s LYS 99 N -4.95 1.74 0.53 2.37 2.20 -0.50 -4.93 119.74 116.20 2rjm s LYS 99 Ca -0.13 -0.48 -0.04 0.00 -0.36 0.00 0.00 55.97 54.96 2rjm s LYS 99 Cb 0.09 -1.94 0.00 0.00 -1.51 0.00 0.00 37.83 34.46 2rjm s LYS 99 CO 0.77 -0.33 0.81 0.15 -0.36 0.00 0.00 175.35 176.39 2rjm s LYS 100 N 1.59 3.02 0.44 4.03 1.02 -1.26 -1.58 119.74 127.01 2rjm s LYS 100 Ca 0.03 -0.15 -0.23 0.00 0.02 0.00 0.00 55.97 55.64 2rjm s LYS 100 Cb -0.14 -2.38 -0.08 0.00 -0.52 0.00 0.00 37.83 34.71 2rjm s LYS 100 CO -0.09 -0.51 1.09 -0.51 -0.92 0.00 0.00 175.35 174.42 2rjm s LEU 101 N -4.82 4.03 0.71 3.17 1.43 -1.26 -4.90 118.68 117.04 2rjm s LEU 101 Ca 0.51 2.13 -0.14 0.00 -1.03 0.00 0.00 54.13 55.61 2rjm s LEU 101 Cb -0.10 -4.29 0.03 0.00 0.03 0.00 0.00 46.19 41.86 2rjm s LEU 101 CO 0.43 -0.73 1.12 -1.83 0.23 0.00 0.00 176.35 175.56 2rjm s GLU 102 N -2.73 2.51 0.26 1.70 -1.05 -1.26 -4.89 118.70 113.24 2rjm s GLU 102 Ca 0.62 1.37 -0.04 0.00 -0.15 0.00 0.00 54.97 56.77 2rjm s GLU 102 Cb -0.24 -1.91 0.31 0.00 -0.44 0.00 0.00 34.13 31.85 2rjm s GLU 102 CO 0.29 -1.48 1.83 -1.35 0.95 0.00 0.00 175.26 175.51 2rjm h PRO 103 N -0.41 1.04 -3.08 -4.83 0.11 -1.95 -3.42 132.00 119.47 2rjm h PRO 103 Ca -0.46 -0.17 -0.02 0.00 0.11 0.00 0.00 66.00 65.46 2rjm h PRO 103 Cb 1.25 -0.18 -0.11 0.00 0.11 0.00 0.00 31.00 32.07 2rjm h PRO 103 CO 0.52 0.84 0.16 -1.54 -0.21 0.00 0.00 178.00 177.77 2rjm s SER 104 N -6.43 -0.47 -0.09 -2.05 1.04 -1.26 -0.73 113.70 103.71 2rjm s SER 104 Ca -0.11 -0.14 -0.15 0.00 0.48 0.00 0.00 55.95 56.03 2rjm s SER 104 Cb 0.16 0.59 0.03 0.00 0.10 0.00 0.00 66.02 66.91 2rjm s SER 104 CO 0.82 -0.99 0.38 -0.60 0.98 0.00 0.00 173.24 173.83 2rjm s ARG 105 N -3.78 0.59 -0.14 4.02 3.52 -0.20 -4.92 118.95 118.04 2rjm s ARG 105 Ca 0.03 0.24 -0.00 0.00 -0.13 0.00 0.00 55.73 55.87 2rjm s ARG 105 Cb -0.01 0.27 -0.01 0.00 -1.56 0.00 0.00 34.95 33.64 2rjm s ARG 105 CO -0.10 -0.13 -0.14 0.42 -0.81 0.00 0.00 175.30 174.55 2rjm s ILE 106 N -0.50 2.92 0.09 4.11 1.01 -1.26 -0.74 121.20 126.83 2rjm s ILE 106 Ca -0.06 -0.70 0.05 0.00 0.00 0.00 0.00 60.65 59.94 2rjm s ILE 106 Cb -0.04 -2.23 -0.03 0.00 0.01 0.00 0.00 42.46 40.17 2rjm s ILE 106 CO 0.03 0.52 -0.12 -0.69 0.00 0.00 0.00 174.94 174.67 2rjm s VAL 107 N 0.52 1.05 0.23 2.92 1.01 -0.35 -4.98 120.40 120.80 2rjm s VAL 107 Ca -0.09 -1.48 -0.18 0.00 0.00 0.00 0.00 61.98 60.22 2rjm s VAL 107 Cb -0.16 -1.22 -0.08 0.00 0.00 0.00 0.00 36.38 34.92 2rjm s VAL 107 CO 0.04 -0.39 0.71 -0.75 0.00 0.00 0.00 175.10 174.71 2rjm s LYS 108 N -2.27 4.18 0.30 2.72 2.20 -1.26 -1.61 119.74 124.00 2rjm s LYS 108 Ca 0.02 0.80 -0.28 0.00 -0.36 0.00 0.00 55.97 56.15 2rjm s LYS 108 Cb -0.07 -2.82 -0.14 0.00 -1.51 0.00 0.00 37.83 33.30 2rjm s LYS 108 CO 0.02 0.37 1.06 0.94 -0.36 0.00 0.00 175.35 177.37 2rjm n GLN 109 N 0.56 1.50 0.00 4.03 7.27 0.04 -1.92 117.38 128.86 2rjm n GLN 109 Ca -0.02 0.52 0.00 0.00 0.07 0.00 0.00 57.00 57.58 2rjm n GLN 109 Cb 0.51 -1.93 0.00 0.00 2.41 0.00 0.00 30.24 31.23 2rjm n GLN 109 CO 0.00 0.00 0.00 -0.25 0.07 0.00 0.00 177.06 176.88 2rjm n ASP 110 N 1.14 0.00 -4.88 1.69 8.00 0.55 -4.93 116.55 118.12 2rjm n ASP 110 Ca 0.09 0.00 -0.29 0.00 0.71 0.00 0.00 54.79 55.29 2rjm n ASP 110 Cb 0.33 0.00 0.09 0.00 -0.02 0.00 0.00 41.12 41.51 2rjm n ASP 110 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2rjm s GLU 111 N -0.27 2.03 0.23 -1.24 2.02 -0.81 -4.07 118.70 116.58 2rjm s GLU 111 Ca 0.00 0.19 0.08 0.00 0.02 0.00 0.00 54.97 55.26 2rjm s GLU 111 Cb 0.00 -1.95 -0.04 0.00 0.10 0.00 0.00 34.13 32.24 2rjm s GLU 111 CO 0.00 -1.57 0.09 -3.38 0.02 0.00 0.00 175.26 170.42 2rjm s HIS 112 N -3.51 2.94 0.03 1.61 -3.43 -1.26 -1.69 115.29 109.97 2rjm s HIS 112 Ca 0.62 -0.14 -0.05 0.00 -0.80 0.00 0.00 55.06 54.69 2rjm s HIS 112 Cb -0.11 -1.35 -0.01 0.00 -1.43 0.00 0.00 32.58 29.67 2rjm s HIS 112 CO 0.50 0.55 0.08 -0.08 -2.00 0.00 0.00 174.74 173.79 2rjm s THR 113 N -2.05 0.12 -0.08 -5.38 -1.32 -0.33 -5.00 115.64 101.61 2rjm s THR 113 Ca 0.31 -1.02 0.01 0.00 -1.21 0.00 0.00 61.69 59.78 2rjm s THR 113 Cb -0.08 -0.73 0.02 0.00 -1.51 0.00 0.00 72.50 70.20 2rjm s THR 113 CO 0.22 -0.56 -0.10 -0.60 -2.21 0.00 0.00 174.62 171.37 2rjm s ARG 114 N -2.24 1.57 -0.12 7.08 3.52 -1.26 -0.45 118.95 127.05 2rjm s ARG 114 Ca -0.08 -0.33 -0.03 0.00 -0.13 0.00 0.00 55.73 55.16 2rjm s ARG 114 Cb -0.03 -1.42 -0.03 0.00 -1.56 0.00 0.00 34.95 31.90 2rjm s ARG 114 CO -0.03 -0.08 -0.02 0.71 -0.81 0.00 0.00 175.30 175.06 2rjm s TYR 115 N 1.04 3.07 -0.06 5.12 2.02 0.29 -4.99 117.35 123.85 2rjm s TYR 115 Ca -0.08 -0.07 0.01 0.00 -0.37 0.00 0.00 57.07 56.56 2rjm s TYR 115 Cb -0.15 -1.88 0.02 0.00 -0.40 0.00 0.00 41.96 39.55 2rjm s TYR 115 CO -0.01 0.18 -0.07 -2.00 -1.57 0.00 0.00 175.55 172.09 2rjm s GLU 116 N -0.17 1.18 0.14 -0.62 2.12 -1.26 -0.88 118.70 119.22 2rjm s GLU 116 Ca 0.04 -0.20 0.11 0.00 0.36 0.00 0.00 54.97 55.28 2rjm s GLU 116 Cb -0.13 -1.14 -0.04 0.00 0.26 0.00 0.00 34.13 33.08 2rjm s GLU 116 CO 0.02 -0.10 -0.26 0.00 -0.54 0.00 0.00 175.26 174.39 2rjm s LYS 118 N -2.22 2.94 -0.03 0.00 2.47 -0.61 -0.16 119.74 122.13 2rjm s LYS 118 Ca 0.15 -0.84 0.04 0.00 -1.56 0.00 0.00 55.97 53.77 2rjm s LYS 118 Cb -0.09 -2.27 -0.01 0.00 -1.46 0.00 0.00 37.83 34.00 2rjm s LYS 118 CO 0.07 0.12 -0.16 0.42 0.16 0.00 0.00 175.35 175.96 2rjm s ILE 119 N 0.49 1.32 0.53 5.43 1.01 -0.37 0.19 121.20 129.80 2rjm s ILE 119 Ca -0.16 -0.67 0.01 0.00 0.00 0.00 0.00 60.65 59.83 2rjm s ILE 119 Cb -0.17 -1.12 0.01 0.00 0.01 0.00 0.00 42.46 41.18 2rjm s ILE 119 CO 0.06 0.38 0.09 -0.83 0.00 0.00 0.00 174.94 174.64 2rjm s GLY 120 N -0.07 2.97 0.00 6.18 0.00 -0.06 -4.73 107.32 111.61 2rjm s GLY 120 Ca -0.01 -0.28 0.00 0.00 0.00 0.00 0.00 44.72 44.44 2rjm s GLY 120 CO 0.01 -2.16 0.00 0.61 0.00 0.00 0.00 173.10 171.56 2rjm n GLY 121 N -1.42 1.48 3.75 0.20 0.00 -1.26 -1.35 105.19 106.59 2rjm n GLY 121 Ca -0.18 -2.22 -0.40 0.00 0.00 0.00 0.00 46.02 43.22 2rjm n GLY 121 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2rjm s SER 122 N 0.00 7.43 0.71 1.61 0.01 -0.92 -4.97 113.70 117.58 2rjm s SER 122 Ca 0.00 2.08 -0.13 0.00 1.31 0.00 0.00 55.95 59.21 2rjm s SER 122 Cb 0.00 -2.61 0.03 0.00 0.21 0.00 0.00 66.02 63.64 2rjm s SER 122 CO 0.00 -0.03 1.10 -2.84 0.41 0.00 0.00 173.24 171.88 2rjm s PRO 123 N -1.06 2.55 0.02 12.44 0.02 -1.26 -4.14 135.00 143.57 2rjm s PRO 123 Ca 0.44 1.27 -0.23 0.00 0.02 0.00 0.00 61.00 62.50 2rjm s PRO 123 Cb -0.29 -1.93 -0.05 0.00 0.02 0.00 0.00 34.50 32.25 2rjm s PRO 123 CO 0.36 -1.43 0.71 -1.21 -0.33 0.00 0.00 177.00 175.10 2rjm s GLU 124 N -4.50 4.44 -0.16 5.54 2.02 -1.26 -4.90 118.70 119.88 2rjm s GLU 124 Ca 0.64 0.95 -0.14 0.00 0.02 0.00 0.00 54.97 56.44 2rjm s GLU 124 Cb -0.19 -3.36 -0.05 0.00 0.10 0.00 0.00 34.13 30.63 2rjm s GLU 124 CO 0.49 0.29 0.31 0.42 0.02 0.00 0.00 175.26 176.79 2rjm s ILE 125 N -0.03 5.30 -0.16 -1.63 1.01 -1.26 -4.46 121.20 119.97 2rjm s ILE 125 Ca 0.36 0.58 -0.04 0.00 0.00 0.00 0.00 60.65 61.55 2rjm s ILE 125 Cb -0.20 -3.65 -0.03 0.00 0.01 0.00 0.00 42.46 38.60 2rjm s ILE 125 CO 0.21 0.38 -0.02 -0.54 0.00 0.00 0.00 174.94 174.97 2rjm s LYS 126 N 0.51 3.72 -0.14 2.79 1.02 0.30 -4.94 119.74 123.01 2rjm s LYS 126 Ca 0.17 -0.49 -0.03 0.00 0.02 0.00 0.00 55.97 55.64 2rjm s LYS 126 Cb -0.13 -2.98 -0.03 0.00 -0.52 0.00 0.00 37.83 34.17 2rjm s LYS 126 CO 0.04 0.23 -0.02 0.08 -0.92 0.00 0.00 175.35 174.76 2rjm s VAL 127 N 0.41 4.05 0.03 3.17 1.01 -1.26 -1.37 120.40 126.44 2rjm s VAL 127 Ca -0.02 -0.31 0.04 0.00 0.00 0.00 0.00 61.98 61.68 2rjm s VAL 127 Cb -0.14 -2.76 -0.02 0.00 0.00 0.00 0.00 36.38 33.46 2rjm s VAL 127 CO 0.02 0.51 -0.12 -0.76 0.00 0.00 0.00 175.10 174.76 2rjm s LEU 128 N 0.08 2.16 0.07 3.92 1.02 -0.61 -5.01 118.68 120.32 2rjm s LEU 128 Ca 0.01 -0.43 0.04 0.00 0.02 0.00 0.00 54.13 53.77 2rjm s LEU 128 Cb -0.13 -0.50 -0.04 0.00 0.02 0.00 0.00 46.19 45.53 2rjm s LEU 128 CO 0.02 0.00 -0.01 0.26 0.02 0.00 0.00 176.35 176.65 2rjm s TRP 129 N -0.84 2.98 0.01 0.29 0.52 -1.26 -1.35 118.94 119.28 2rjm s TRP 129 Ca -0.00 -0.02 0.03 0.00 0.02 0.00 0.00 56.10 56.13 2rjm s TRP 129 Cb -0.07 -1.55 -0.01 0.00 -1.15 0.00 0.00 33.47 30.68 2rjm s TRP 129 CO 0.01 0.47 -0.10 0.71 0.02 0.00 0.00 176.95 178.05 2rjm s TYR 130 N -1.26 0.92 -0.24 -1.98 2.02 0.14 0.11 117.35 117.07 2rjm s TYR 130 Ca 0.24 -0.23 0.01 0.00 -0.37 0.00 0.00 57.07 56.73 2rjm s TYR 130 Cb -0.12 -0.58 0.04 0.00 -0.40 0.00 0.00 41.96 40.90 2rjm s TYR 130 CO 0.16 -0.01 -0.12 0.21 -1.57 0.00 0.00 175.55 174.22 2rjm s LYS 131 N -0.50 2.62 -1.50 -0.62 2.47 0.16 -1.34 119.74 121.03 2rjm s LYS 131 Ca 0.02 -1.10 -0.09 0.00 -1.56 0.00 0.00 55.97 53.24 2rjm s LYS 131 Cb -0.05 -2.83 0.07 0.00 -1.46 0.00 0.00 37.83 33.55 2rjm s LYS 131 CO -0.00 -0.42 0.77 -0.25 0.16 0.00 0.00 175.35 175.61 2rjm n ASP 132 N 4.56 -2.86 0.00 1.43 8.00 0.10 -1.63 116.55 126.15 2rjm n ASP 132 Ca -0.17 -0.88 0.00 0.00 0.71 0.00 0.00 54.79 54.45 2rjm n ASP 132 Cb 0.46 -3.52 0.00 0.00 -0.02 0.00 0.00 41.12 38.04 2rjm n ASP 132 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2rjm n GLU 133 N -4.49 0.00 -3.31 -1.24 -0.58 -1.26 -5.03 120.64 104.74 2rjm n GLU 133 Ca -0.09 0.00 -0.38 0.00 -0.42 0.00 0.00 57.16 56.27 2rjm n GLU 133 Cb 0.58 -1.60 -0.06 0.00 -0.57 0.00 0.00 31.44 29.79 2rjm n GLU 133 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 2rjm s THR 134 N -3.11 5.18 0.03 2.62 2.01 -0.65 -5.02 115.64 116.71 2rjm s THR 134 Ca 0.00 0.95 -0.33 0.00 0.31 0.00 0.00 61.69 62.62 2rjm s THR 134 Cb 0.00 -3.82 -0.11 0.00 0.01 0.00 0.00 72.50 68.58 2rjm s THR 134 CO 0.00 0.31 1.84 1.21 -0.69 0.00 0.00 174.62 177.28 2rjm n GLU 135 N 3.82 2.46 -2.42 4.92 2.13 -1.26 0.36 120.64 130.65 2rjm n GLU 135 Ca -0.07 0.90 -0.42 0.00 0.66 0.00 0.00 57.16 58.23 2rjm n GLU 135 Cb 0.51 -2.77 -0.03 0.00 0.27 0.00 0.00 31.44 29.43 2rjm n GLU 135 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 2rjm s ILE 136 N 3.26 3.99 -0.02 6.31 1.01 0.12 -4.85 121.20 131.02 2rjm s ILE 136 Ca 0.87 1.45 -0.16 0.00 0.00 0.00 0.00 60.65 62.81 2rjm s ILE 136 Cb -0.59 -3.93 -0.06 0.00 0.01 0.00 0.00 42.46 37.90 2rjm s ILE 136 CO 0.44 0.13 0.45 -1.10 0.00 0.00 0.00 174.94 174.86 2rjm s GLN 137 N 0.92 4.08 0.20 2.79 -1.52 -1.26 -4.75 119.66 120.13 2rjm s GLN 137 Ca 0.58 0.48 -0.32 0.00 -1.95 0.00 0.00 55.36 54.15 2rjm s GLN 137 Cb -0.30 -3.28 -0.14 0.00 -0.22 0.00 0.00 33.01 29.07 2rjm s GLN 137 CO 0.30 0.55 1.36 -1.91 -0.25 0.00 0.00 175.29 175.33 2rjm n GLU 138 N 2.27 1.76 -3.84 2.91 4.07 -1.26 -4.69 120.64 121.87 2rjm n GLU 138 Ca -0.12 0.63 -0.04 0.00 -0.06 0.00 0.00 57.16 57.57 2rjm n GLU 138 Cb 0.52 -2.26 0.01 0.00 -0.06 0.00 0.00 31.44 29.65 2rjm n GLU 138 CO 0.00 0.00 0.00 -1.54 -0.06 0.00 0.00 177.13 175.53 2rjm s SER 139 N 0.29 -0.05 0.52 4.31 1.04 -0.69 -4.95 113.70 114.17 2rjm s SER 139 Ca 0.72 -0.66 0.21 0.00 0.48 0.00 0.00 55.95 56.69 2rjm s SER 139 Cb -0.72 0.55 1.33 0.00 0.10 0.00 0.00 66.02 67.27 2rjm s SER 139 CO 0.49 -1.06 2.06 0.77 0.98 0.00 0.00 173.24 176.47 2rjm h SER 140 N 2.00 0.01 0.54 7.02 4.64 -2.00 -2.67 113.55 123.09 2rjm h SER 140 Ca -0.27 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 60.76 2rjm h SER 140 Cb 1.23 -0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.28 2rjm h SER 140 CO 0.33 0.01 -1.55 0.50 -0.87 0.00 0.00 176.83 175.26 2rjm h LYS 141 N 0.02 0.10 -4.05 4.77 3.64 -1.92 -3.43 116.57 115.69 2rjm h LYS 141 Ca 0.15 -0.17 -0.64 0.00 -1.27 0.00 0.00 60.65 58.72 2rjm h LYS 141 Cb 0.58 0.06 -0.40 0.00 -0.41 0.00 0.00 32.23 32.06 2rjm h LYS 141 CO -0.00 0.84 -0.70 -0.06 -2.27 0.00 0.00 179.45 177.25 2rjm s PHE 142 N -2.62 3.20 -0.25 1.91 0.08 -1.01 -1.43 117.98 117.86 2rjm s PHE 142 Ca -0.07 -2.84 -0.10 0.00 0.12 0.00 0.00 56.93 54.04 2rjm s PHE 142 Cb 0.08 -2.66 -0.05 0.00 -0.57 0.00 0.00 43.02 39.82 2rjm s PHE 142 CO 0.83 -0.87 0.15 1.03 -0.10 0.00 0.00 175.22 176.26 2rjm s ARG 143 N 0.63 3.98 0.10 0.44 1.81 0.17 -1.71 118.95 124.36 2rjm s ARG 143 Ca 0.13 -0.32 0.09 0.00 -1.72 0.00 0.00 55.73 53.91 2rjm s ARG 143 Cb -0.21 -3.54 -0.03 0.00 -0.45 0.00 0.00 34.95 30.72 2rjm s ARG 143 CO -0.07 -0.04 -0.22 -1.64 -0.68 0.00 0.00 175.30 172.65 2rjm s MET 144 N 1.32 1.23 0.11 3.54 -1.94 -1.26 -0.50 119.30 121.80 2rjm s MET 144 Ca 0.07 -1.17 -0.18 0.00 -1.71 0.00 0.00 55.69 52.70 2rjm s MET 144 Cb -0.14 -1.52 0.04 0.00 2.01 0.00 0.00 34.83 35.22 2rjm s MET 144 CO 0.06 0.36 0.45 -1.54 -0.01 0.00 0.00 175.02 174.34 2rjm s SER 145 N -1.82 -0.32 -0.30 3.03 1.04 -0.70 -5.00 113.70 109.63 2rjm s SER 145 Ca 0.08 -0.17 -0.01 0.00 0.48 0.00 0.00 55.95 56.33 2rjm s SER 145 Cb -0.10 0.49 0.13 0.00 0.10 0.00 0.00 66.02 66.65 2rjm s SER 145 CO 0.04 -0.84 0.28 0.12 0.98 0.00 0.00 173.24 173.83 2rjm s PHE 146 N -3.50 -0.33 -0.06 5.02 5.36 -1.26 -1.14 117.98 122.07 2rjm s PHE 146 Ca 0.01 -0.35 0.02 0.00 -0.96 0.00 0.00 56.93 55.65 2rjm s PHE 146 Cb 0.01 -0.52 0.01 0.00 -0.34 0.00 0.00 43.02 42.18 2rjm s PHE 146 CO -0.10 -0.91 -0.12 0.08 -1.46 0.00 0.00 175.22 172.71 2rjm s VAL 147 N 2.22 1.09 -1.43 3.12 1.01 -0.99 -4.83 120.40 120.59 2rjm s VAL 147 Ca 0.10 -0.45 -0.05 0.00 0.00 0.00 0.00 61.98 61.58 2rjm s VAL 147 Cb -0.14 -1.00 0.04 0.00 0.00 0.00 0.00 36.38 35.27 2rjm s VAL 147 CO -0.30 0.35 0.69 -0.62 0.00 0.00 0.00 175.10 175.21 2rjm n GLU 148 N 3.83 -4.40 -0.86 2.72 1.02 -1.26 -0.82 120.64 120.88 2rjm n GLU 148 Ca -0.23 0.52 0.00 0.00 -0.02 0.00 0.00 57.16 57.43 2rjm n GLU 148 Cb 0.52 -5.05 0.00 0.00 -0.02 0.00 0.00 31.44 26.89 2rjm n GLU 148 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 2rjm n SER 149 N -2.94 -0.79 -4.42 1.62 7.64 -1.26 -5.00 113.62 108.47 2rjm n SER 149 Ca -0.19 0.00 -0.39 0.00 1.01 0.00 0.00 58.87 59.30 2rjm n SER 149 Cb 0.63 -1.02 -0.11 0.00 -1.01 0.00 0.00 64.21 62.69 2rjm n SER 149 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2rjm s VAL 150 N -2.68 4.60 -0.16 0.44 1.01 0.00 -1.23 120.40 122.38 2rjm s VAL 150 Ca 0.00 -0.59 -0.15 0.00 0.00 0.00 0.00 61.98 61.25 2rjm s VAL 150 Cb 0.00 -3.43 -0.04 0.00 0.00 0.00 0.00 36.38 32.90 2rjm s VAL 150 CO 0.00 -0.05 0.33 0.00 0.00 0.00 0.00 175.10 175.38 2rjm s ALA 151 N 1.59 3.57 -0.04 5.51 0.00 0.78 -2.35 121.76 130.82 2rjm s ALA 151 Ca 0.04 -0.44 0.02 0.00 0.00 0.00 0.00 51.96 51.58 2rjm s ALA 151 Cb -0.18 -2.46 0.01 0.00 0.00 0.00 0.00 23.12 20.49 2rjm s ALA 151 CO 0.06 0.02 -0.09 0.08 0.00 0.00 0.00 175.76 175.83 2rjm s VAL 152 N 0.62 0.86 -0.18 0.00 1.01 -0.30 -0.48 120.40 121.93 2rjm s VAL 152 Ca 0.18 -0.37 0.01 0.00 0.00 0.00 0.00 61.98 61.80 2rjm s VAL 152 Cb -0.13 -0.79 0.02 0.00 0.00 0.00 0.00 36.38 35.48 2rjm s VAL 152 CO 0.05 0.28 -0.18 -0.22 0.00 0.00 0.00 175.10 175.03 2rjm s LEU 153 N 0.43 2.22 -0.15 3.92 2.96 -0.06 -1.73 118.68 126.28 2rjm s LEU 153 Ca -0.08 -0.63 -0.01 0.00 -0.22 0.00 0.00 54.13 53.19 2rjm s LEU 153 Cb -0.12 -1.51 -0.02 0.00 0.50 0.00 0.00 46.19 45.05 2rjm s LEU 153 CO 0.01 -0.00 -0.10 -0.70 -1.32 0.00 0.00 176.35 174.24 2rjm s GLU 154 N 1.31 3.45 0.02 1.98 2.12 0.34 0.11 118.70 128.02 2rjm s GLU 154 Ca 0.05 -0.64 0.09 0.00 0.36 0.00 0.00 54.97 54.83 2rjm s GLU 154 Cb -0.13 -2.75 -0.02 0.00 0.26 0.00 0.00 34.13 31.49 2rjm s GLU 154 CO -0.12 0.17 -0.26 -1.64 -0.54 0.00 0.00 175.26 172.87 2rjm s MET 155 N 0.49 1.93 0.30 4.30 -1.94 0.40 -0.66 119.30 124.13 2rjm s MET 155 Ca -0.07 -1.03 0.07 0.00 -1.71 0.00 0.00 55.69 52.95 2rjm s MET 155 Cb -0.15 -2.00 -0.06 0.00 2.01 0.00 0.00 34.83 34.63 2rjm s MET 155 CO 0.04 0.53 -0.06 0.71 -0.01 0.00 0.00 175.02 176.23 2rjm s TYR 156 N -0.72 2.06 -1.58 -0.03 2.02 -0.52 -1.18 117.35 117.39 2rjm s TYR 156 Ca 0.11 -0.68 -0.14 0.00 -0.37 0.00 0.00 57.07 56.00 2rjm s TYR 156 Cb -0.10 -1.20 0.10 0.00 -0.40 0.00 0.00 41.96 40.37 2rjm s TYR 156 CO 0.01 0.33 0.82 0.09 -1.57 0.00 0.00 175.55 175.22 2rjm n ASN 157 N -0.64 -3.45 -4.71 2.29 3.02 -1.12 -4.83 115.26 105.82 2rjm n ASN 157 Ca -0.05 -0.91 -0.41 0.00 -0.03 0.00 0.00 54.58 53.18 2rjm n ASN 157 Cb 0.64 -3.30 0.01 0.00 -0.61 0.00 0.00 39.78 36.52 2rjm n ASN 157 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2rjm n LEU 158 N -4.50 4.18 -4.34 3.41 4.77 -0.68 -4.58 117.00 115.26 2rjm n LEU 158 Ca -0.00 1.11 -0.18 0.00 -0.03 0.00 0.00 56.01 56.91 2rjm n LEU 158 Cb 0.54 -1.52 -0.10 0.00 -2.33 0.00 0.00 43.42 40.01 2rjm n LEU 158 CO 0.80 -0.57 -0.23 -0.55 -1.33 0.00 0.00 177.39 175.52 2rjm s SER 159 N -0.52 1.44 0.35 -1.43 0.15 -1.26 -0.33 113.70 112.10 2rjm s SER 159 Ca 0.61 -1.48 0.03 0.00 0.70 0.00 0.00 55.95 55.81 2rjm s SER 159 Cb -0.50 0.28 0.64 0.00 -1.71 0.00 0.00 66.02 64.73 2rjm s SER 159 CO 0.58 -0.81 1.97 -0.37 1.20 0.00 0.00 173.24 175.81 2rjm h VAL 160 N 2.27 1.17 0.00 4.45 -1.51 -1.96 0.46 116.25 121.13 2rjm h VAL 160 Ca -0.36 -0.44 0.00 0.00 -1.23 0.00 0.00 66.70 64.67 2rjm h VAL 160 Cb 1.25 0.49 0.00 0.00 -2.13 0.00 0.00 31.29 30.90 2rjm h VAL 160 CO 0.57 0.19 0.00 -1.84 -1.23 0.00 0.00 177.57 175.26 2rjm n GLU 161 N -4.39 0.02 0.00 5.19 0.00 -1.26 -2.16 120.64 118.05 2rjm n GLU 161 Ca 0.04 0.41 0.13 0.00 0.00 0.00 0.00 57.16 57.75 2rjm n GLU 161 Cb 0.11 -1.56 0.43 0.00 0.00 0.00 0.00 31.44 30.42 2rjm n GLU 161 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 2rjm n ASP 162 N -1.61 0.36 -4.76 -1.84 8.00 0.15 -4.85 116.55 112.00 2rjm n ASP 162 Ca 0.01 -0.08 -0.41 0.00 0.71 0.00 0.00 54.79 55.02 2rjm n ASP 162 Cb 0.08 -0.05 -0.02 0.00 -0.02 0.00 0.00 41.12 41.11 2rjm n ASP 162 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 2rjm s SER 163 N -2.90 6.60 0.00 -2.24 0.01 -0.92 -4.86 113.70 109.40 2rjm s SER 163 Ca 0.15 2.77 0.00 0.00 1.31 0.00 0.00 55.95 60.19 2rjm s SER 163 Cb 0.18 -2.64 0.00 0.00 0.21 0.00 0.00 66.02 63.78 2rjm s SER 163 CO 0.60 -0.71 0.00 0.61 0.41 0.00 0.00 173.24 174.15 2rjm n GLY 164 N 1.52 -0.56 3.68 3.44 0.00 -0.06 -4.99 105.19 108.22 2rjm n GLY 164 Ca 0.04 -1.21 -0.38 0.00 0.00 0.00 0.00 46.02 44.47 2rjm n GLY 164 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2rjm s ASP 165 N -4.00 6.46 -0.17 1.61 1.01 -1.26 -0.71 116.67 119.61 2rjm s ASP 165 Ca 0.00 0.54 -0.03 0.00 0.71 0.00 0.00 52.55 53.77 2rjm s ASP 165 Cb 0.00 -2.23 -0.02 0.00 1.01 0.00 0.00 42.92 41.68 2rjm s ASP 165 CO 0.00 -0.06 -0.06 -0.31 0.21 0.00 0.00 175.17 174.95 2rjm s TYR 166 N 1.22 2.95 -0.10 4.23 2.02 0.10 0.02 117.35 127.80 2rjm s TYR 166 Ca 0.20 -0.54 0.04 0.00 -0.37 0.00 0.00 57.07 56.39 2rjm s TYR 166 Cb -0.15 -1.97 0.00 0.00 -0.40 0.00 0.00 41.96 39.44 2rjm s TYR 166 CO 0.08 -0.21 -0.22 0.99 -1.57 0.00 0.00 175.55 174.61 2rjm s THR 167 N 0.66 1.94 -0.28 -0.71 2.01 -0.45 -0.43 115.64 118.38 2rjm s THR 167 Ca -0.03 -0.95 -0.12 0.00 0.31 0.00 0.00 61.69 60.90 2rjm s THR 167 Cb -0.15 -1.68 -0.04 0.00 0.01 0.00 0.00 72.50 70.63 2rjm s THR 167 CO 0.02 0.53 0.23 0.00 -0.69 0.00 0.00 174.62 174.72 2rjm s GLU 169 N 1.82 3.09 -0.11 0.00 2.12 -0.46 -0.69 118.70 124.47 2rjm s GLU 169 Ca 0.09 -0.83 -0.03 0.00 0.36 0.00 0.00 54.97 54.56 2rjm s GLU 169 Cb -0.16 -2.46 -0.03 0.00 0.26 0.00 0.00 34.13 31.74 2rjm s GLU 169 CO 0.11 0.05 -0.01 0.00 -0.54 0.00 0.00 175.26 174.86 2rjm s ALA 170 N 0.69 3.17 0.05 6.30 0.00 0.55 -1.57 121.76 130.95 2rjm s ALA 170 Ca -0.09 -0.81 0.00 0.00 0.00 0.00 0.00 51.96 51.05 2rjm s ALA 170 Cb -0.16 -1.51 -0.03 0.00 0.00 0.00 0.00 23.12 21.42 2rjm s ALA 170 CO 0.01 0.44 -0.04 -3.38 0.00 0.00 0.00 175.76 172.79 2rjm s HIS 171 N -0.40 0.50 0.00 0.00 -3.43 -0.47 -0.30 115.29 111.19 2rjm s HIS 171 Ca 0.07 -0.81 0.00 0.00 -0.80 0.00 0.00 55.06 53.53 2rjm s HIS 171 Cb -0.12 -0.34 0.00 0.00 -1.43 0.00 0.00 32.58 30.69 2rjm s HIS 171 CO 0.02 -0.25 0.00 0.27 -2.00 0.00 0.00 174.74 172.78 2rjm n ASN 172 N 0.74 0.00 0.31 7.38 0.23 -0.44 -0.54 115.26 122.94 2rjm n ASN 172 Ca -0.18 -0.18 0.19 0.00 -0.53 0.00 0.00 54.58 53.89 2rjm n ASN 172 Cb 0.58 0.00 1.01 0.00 -2.08 0.00 0.00 39.78 39.29 2rjm n ASN 172 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2rjm h ALA 173 N 1.03 1.10 0.00 -2.53 0.00 -1.88 -3.21 119.26 113.77 2rjm h ALA 173 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2rjm h ALA 173 Cb 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2rjm h ALA 173 CO 0.00 0.02 -1.54 0.00 0.00 0.00 0.00 179.25 177.73 2rjm n ALA 174 N -2.14 3.00 0.00 0.00 0.00 -1.26 -4.80 120.51 115.30 2rjm n ALA 174 Ca -0.02 -0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.00 2rjm n ALA 174 Cb 0.14 -0.59 0.00 0.00 0.00 0.00 0.00 19.45 19.01 2rjm n ALA 174 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2rjm n GLY 175 N 1.50 -0.44 3.30 0.00 0.00 -1.21 -4.58 105.19 103.75 2rjm n GLY 175 Ca -0.02 -0.91 -0.09 0.00 0.00 0.00 0.00 46.02 45.00 2rjm n GLY 175 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2rjm s SER 176 N -4.00 -0.01 0.01 1.61 1.04 -1.26 -1.33 113.70 109.76 2rjm s SER 176 Ca 0.00 -0.64 -0.13 0.00 0.48 0.00 0.00 55.95 55.66 2rjm s SER 176 Cb 0.00 0.42 0.02 0.00 0.10 0.00 0.00 66.02 66.56 2rjm s SER 176 CO 0.00 -0.84 0.27 0.00 0.98 0.00 0.00 173.24 173.66 2rjm s ALA 177 N -3.89 -0.65 0.02 5.32 0.00 0.59 -4.75 121.76 118.41 2rjm s ALA 177 Ca 0.09 0.11 -0.01 0.00 0.00 0.00 0.00 51.96 52.15 2rjm s ALA 177 Cb 0.03 0.17 -0.02 0.00 0.00 0.00 0.00 23.12 23.30 2rjm s ALA 177 CO -0.07 -0.31 -0.01 -1.54 0.00 0.00 0.00 175.76 173.83 2rjm s SER 178 N -1.63 0.25 -0.04 0.00 1.04 -1.26 -0.33 113.70 111.73 2rjm s SER 178 Ca -0.10 -0.54 0.01 0.00 0.48 0.00 0.00 55.95 55.80 2rjm s SER 178 Cb -0.04 0.13 0.02 0.00 0.10 0.00 0.00 66.02 66.23 2rjm s SER 178 CO 0.01 -0.35 -0.05 -0.55 0.98 0.00 0.00 173.24 173.27 2rjm s SER 179 N -1.67 0.99 0.32 7.02 0.15 0.13 -5.00 113.70 115.65 2rjm s SER 179 Ca -0.13 -0.14 0.10 0.00 0.70 0.00 0.00 55.95 56.49 2rjm s SER 179 Cb -0.07 -0.48 -0.06 0.00 -1.71 0.00 0.00 66.02 63.70 2rjm s SER 179 CO -0.02 -0.04 -0.14 -0.44 1.20 0.00 0.00 173.24 173.80 2rjm s SER 180 N 0.85 3.67 0.12 5.45 0.01 -1.26 -0.22 113.70 122.32 2rjm s SER 180 Ca -0.12 -1.13 -0.12 0.00 1.31 0.00 0.00 55.95 55.89 2rjm s SER 180 Cb -0.15 -0.33 0.01 0.00 0.21 0.00 0.00 66.02 65.77 2rjm s SER 180 CO 0.01 -0.11 0.30 0.28 0.41 0.00 0.00 173.24 174.13 2rjm s THR 181 N -2.57 0.10 -0.17 1.44 -1.32 0.42 -4.72 115.64 108.83 2rjm s THR 181 Ca 0.31 -0.96 -0.01 0.00 -1.21 0.00 0.00 61.69 59.83 2rjm s THR 181 Cb -0.01 -1.36 -0.00 0.00 -1.51 0.00 0.00 72.50 69.62 2rjm s THR 181 CO 0.16 -0.45 -0.13 -0.55 -2.21 0.00 0.00 174.62 171.44 2rjm s SER 182 N -2.85 3.82 -0.08 8.08 0.15 0.09 -0.72 113.70 122.18 2rjm s SER 182 Ca 0.06 -0.44 0.02 0.00 0.70 0.00 0.00 55.95 56.29 2rjm s SER 182 Cb 0.03 -1.60 -0.02 0.00 -1.71 0.00 0.00 66.02 62.72 2rjm s SER 182 CO -0.09 0.07 -0.14 -0.22 1.20 0.00 0.00 173.24 174.06 2rjm s LEU 183 N 0.91 2.71 -0.14 3.45 2.96 0.11 -1.03 118.68 127.64 2rjm s LEU 183 Ca -0.03 -0.26 0.02 0.00 -0.22 0.00 0.00 54.13 53.64 2rjm s LEU 183 Cb -0.15 -1.57 0.02 0.00 0.50 0.00 0.00 46.19 44.98 2rjm s LEU 183 CO -0.01 0.27 -0.18 -0.75 -1.32 0.00 0.00 176.35 174.36 2rjm s LYS 184 N -0.28 2.63 -0.25 1.98 2.20 0.08 -0.88 119.74 125.22 2rjm s LYS 184 Ca 0.02 -0.70 -0.07 0.00 -0.36 0.00 0.00 55.97 54.85 2rjm s LYS 184 Cb -0.13 -2.22 -0.03 0.00 -1.51 0.00 0.00 37.83 33.94 2rjm s LYS 184 CO 0.03 -0.10 0.07 0.08 -0.36 0.00 0.00 175.35 175.07 2rjm s VAL 185 N 1.06 4.30 -0.02 4.02 1.01 -1.26 -1.21 120.40 128.30 2rjm s VAL 185 Ca -0.03 -0.18 0.06 0.00 0.00 0.00 0.00 61.98 61.84 2rjm s VAL 185 Cb -0.14 -3.01 -0.02 0.00 0.00 0.00 0.00 36.38 33.20 2rjm s VAL 185 CO -0.05 0.34 -0.21 -0.54 0.00 0.00 0.00 175.10 174.64 2rjm s LYS 186 N 1.61 2.24 0.11 2.72 1.02 -0.63 -4.50 119.74 122.30 2rjm s LYS 186 Ca 0.06 -0.86 -0.23 0.00 0.02 0.00 0.00 55.97 54.97 2rjm s LYS 186 Cb -0.15 -2.17 -0.07 0.00 -0.52 0.00 0.00 37.83 34.92 2rjm s LYS 186 CO 0.04 0.58 0.70 -1.21 -0.92 0.00 0.00 175.35 174.53 2rjm s GLU 187 N -0.74 4.42 0.80 1.68 2.02 -1.26 -0.78 118.70 124.85 2rjm s GLU 187 Ca 0.11 0.98 -0.11 0.00 0.02 0.00 0.00 54.97 55.97 2rjm s GLU 187 Cb -0.10 -3.28 0.07 0.00 0.10 0.00 0.00 34.13 30.93 2rjm s GLU 187 CO 0.00 0.54 1.09 -1.25 0.02 0.00 0.00 175.26 175.65 2rjm s PRO 188 N -0.90 2.03 0.23 0.39 0.04 -1.26 -1.47 135.00 134.06 2rjm s PRO 188 Ca 0.34 0.93 -0.30 0.00 0.04 0.00 0.00 61.00 62.01 2rjm s PRO 188 Cb -0.21 -1.89 -0.09 0.00 0.04 0.00 0.00 34.50 32.35 2rjm s PRO 188 CO 0.23 -1.73 1.29 -2.14 0.04 0.00 0.00 177.00 174.69 2rjm s PRO 189 N -4.98 4.40 -0.04 0.56 0.02 -1.26 -4.02 135.00 129.69 2rjm s PRO 189 Ca 0.61 2.07 0.00 0.00 0.02 0.00 0.00 61.00 63.70 2rjm s PRO 189 Cb -0.16 -3.17 0.03 0.00 0.02 0.00 0.00 34.50 31.21 2rjm s PRO 189 CO 0.56 -0.20 -0.01 0.08 -0.33 0.00 0.00 177.00 177.10 2rjm s VAL 190 N -0.26 0.31 -0.57 3.83 1.01 -0.48 -4.21 120.40 120.03 2rjm s VAL 190 Ca 0.54 0.04 -0.18 0.00 0.00 0.00 0.00 61.98 62.38 2rjm s VAL 190 Cb -0.37 -0.39 0.12 0.00 0.00 0.00 0.00 36.38 35.73 2rjm s VAL 190 CO 0.41 0.19 0.61 -0.36 0.00 0.00 0.00 175.10 175.95 2rjm s PHE 191 N 1.14 3.11 -0.23 5.22 0.08 -1.26 -0.90 117.98 125.14 2rjm s PHE 191 Ca -0.08 -1.11 0.20 0.00 0.12 0.00 0.00 56.93 56.07 2rjm s PHE 191 Cb -0.14 -3.91 0.02 0.00 -0.57 0.00 0.00 43.02 38.43 2rjm s PHE 191 CO -0.02 -1.17 1.12 -0.09 -0.10 0.00 0.00 175.22 174.97 2rjm h ARG 192 N 9.05 0.00 -5.18 0.44 2.43 -1.97 -3.45 114.38 115.70 2rjm h ARG 192 Ca -0.30 0.00 -0.65 0.00 -0.81 0.00 0.00 59.98 58.23 2rjm h ARG 192 Cb 1.09 0.00 -0.24 0.00 -0.42 0.00 0.00 29.97 30.40 2rjm h ARG 192 CO 1.07 0.13 -0.70 0.15 -1.51 0.00 0.00 179.97 179.11 2rjm s LYS 193 N -3.19 3.54 -0.23 0.20 1.02 -1.26 -5.09 119.74 114.73 2rjm s LYS 193 Ca 0.01 -0.57 -0.25 0.00 0.02 0.00 0.00 55.97 55.17 2rjm s LYS 193 Cb 0.08 -2.94 -0.00 0.00 -0.52 0.00 0.00 37.83 34.45 2rjm s LYS 193 CO 0.77 0.07 0.86 0.21 -0.92 0.00 0.00 175.35 176.34 2rjm s LYS 194 N 0.81 4.21 0.39 1.68 2.20 -1.26 -4.69 119.74 123.08 2rjm s LYS 194 Ca -0.01 1.01 -0.27 0.00 -0.36 0.00 0.00 55.97 56.34 2rjm s LYS 194 Cb -0.15 -3.63 -0.09 0.00 -1.51 0.00 0.00 37.83 32.45 2rjm s LYS 194 CO 0.02 -0.50 1.37 -2.14 -0.36 0.00 0.00 175.35 173.74 2rjm s PRO 195 N 2.77 4.03 0.69 4.03 0.02 -1.26 -4.97 135.00 140.30 2rjm s PRO 195 Ca 0.37 2.31 -0.16 0.00 0.02 0.00 0.00 61.00 63.54 2rjm s PRO 195 Cb -0.15 -2.85 0.02 0.00 0.02 0.00 0.00 34.50 31.53 2rjm s PRO 195 CO 0.08 -0.50 1.19 -1.01 -0.33 0.00 0.00 177.00 176.43 2rjm s HIS 196 N -1.19 2.23 0.60 6.54 3.76 -1.26 -4.74 115.29 121.22 2rjm s HIS 196 Ca 0.55 1.57 -0.19 0.00 -0.15 0.00 0.00 55.06 56.84 2rjm s HIS 196 Cb -0.41 -3.42 -0.04 0.00 1.11 0.00 0.00 32.58 29.82 2rjm s HIS 196 CO 0.54 -2.35 1.12 -2.30 -0.85 0.00 0.00 174.74 170.90 2rjm n PRO 197 N -2.42 1.11 -3.89 8.40 -0.02 -1.26 -4.69 135.00 132.22 2rjm n PRO 197 Ca 0.13 0.43 -0.35 0.00 -2.02 0.00 0.00 63.50 61.68 2rjm n PRO 197 Cb 0.50 -2.33 -0.14 0.00 -0.02 0.00 0.00 33.50 31.52 2rjm n PRO 197 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2rjm s VAL 198 N -1.43 3.51 0.05 -1.45 1.01 -0.09 -4.97 120.40 117.02 2rjm s VAL 198 Ca 0.76 -0.45 -0.21 0.00 0.00 0.00 0.00 61.98 62.08 2rjm s VAL 198 Cb -0.41 -2.60 -0.06 0.00 0.00 0.00 0.00 36.38 33.30 2rjm s VAL 198 CO 0.46 0.41 0.64 -0.70 0.00 0.00 0.00 175.10 175.91 2rjm s GLU 199 N 1.48 4.34 0.24 2.72 2.12 -1.26 -1.19 118.70 127.16 2rjm s GLU 199 Ca 0.06 0.84 0.01 0.00 0.36 0.00 0.00 54.97 56.24 2rjm s GLU 199 Cb -0.14 -3.31 -0.04 0.00 0.26 0.00 0.00 34.13 30.90 2rjm s GLU 199 CO -0.02 0.45 0.16 -0.08 -0.54 0.00 0.00 175.26 175.23 2rjm s THR 200 N -0.53 0.10 0.26 -1.70 -1.32 -0.55 -4.95 115.64 106.95 2rjm s THR 200 Ca 0.32 -2.00 0.08 0.00 -1.21 0.00 0.00 61.69 58.88 2rjm s THR 200 Cb -0.20 -2.52 -0.04 0.00 -1.51 0.00 0.00 72.50 68.24 2rjm s THR 200 CO 0.20 0.00 0.14 -0.76 -2.21 0.00 0.00 174.62 171.99 2rjm s LEU 201 N -3.24 3.64 0.40 9.08 1.43 -1.26 -0.66 118.68 128.06 2rjm s LEU 201 Ca 0.39 -0.36 -0.27 0.00 -1.03 0.00 0.00 54.13 52.85 2rjm s LEU 201 Cb 0.06 -2.17 -0.10 0.00 0.03 0.00 0.00 46.19 44.00 2rjm s LEU 201 CO 0.16 -0.03 1.47 -0.54 0.23 0.00 0.00 176.35 177.63 2rjm s LYS 202 N -3.80 3.99 0.00 1.70 1.02 -1.26 -2.51 119.74 118.88 2rjm s LYS 202 Ca 0.33 2.53 0.00 0.00 0.02 0.00 0.00 55.97 58.85 2rjm s LYS 202 Cb -0.07 -2.88 0.00 0.00 -0.52 0.00 0.00 37.83 34.35 2rjm s LYS 202 CO 0.24 -0.61 0.00 0.41 -0.92 0.00 0.00 175.35 174.47 2rjm n GLY 203 N 0.49 2.91 3.94 -3.33 0.00 0.52 -4.89 105.19 104.83 2rjm n GLY 203 Ca 0.02 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.77 2rjm n GLY 203 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2rjm s ALA 204 N -2.74 2.95 0.07 4.61 0.00 -1.05 -4.40 121.76 121.20 2rjm s ALA 204 Ca 0.00 -1.21 0.04 0.00 0.00 0.00 0.00 51.96 50.79 2rjm s ALA 204 Cb 0.00 -2.53 -0.04 0.00 0.00 0.00 0.00 23.12 20.55 2rjm s ALA 204 CO 0.00 -1.75 -0.02 -0.51 0.00 0.00 0.00 175.76 173.47 2rjm s ASP 205 N -4.71 4.90 -0.01 0.00 1.01 -1.26 -0.26 116.67 116.34 2rjm s ASP 205 Ca 0.67 -0.18 -0.02 0.00 0.71 0.00 0.00 52.55 53.73 2rjm s ASP 205 Cb -0.07 -1.15 -0.00 0.00 1.01 0.00 0.00 42.92 42.71 2rjm s ASP 205 CO 0.48 0.21 0.04 0.54 0.21 0.00 0.00 175.17 176.64 2rjm s VAL 206 N -1.22 0.03 -0.12 -1.27 0.11 -0.46 -4.98 120.40 112.49 2rjm s VAL 206 Ca 0.23 -0.24 0.00 0.00 -2.93 0.00 0.00 61.98 59.04 2rjm s VAL 206 Cb -0.11 -0.14 -0.02 0.00 -1.53 0.00 0.00 36.38 34.57 2rjm s VAL 206 CO 0.15 -0.13 -0.14 -2.28 -3.33 0.00 0.00 175.10 169.37 2rjm s HIS 207 N -0.39 2.79 -0.07 1.54 2.46 -1.26 -0.74 115.29 119.62 2rjm s HIS 207 Ca -0.04 -0.60 0.02 0.00 0.47 0.00 0.00 55.06 54.91 2rjm s HIS 207 Cb -0.03 -1.81 0.01 0.00 -0.13 0.00 0.00 32.58 30.62 2rjm s HIS 207 CO -0.00 -0.17 -0.12 -1.17 -2.47 0.00 0.00 174.74 170.81 2rjm s LEU 208 N 0.21 1.62 0.04 8.88 2.96 -0.51 -4.97 118.68 126.92 2rjm s LEU 208 Ca -0.09 -0.29 0.02 0.00 -0.22 0.00 0.00 54.13 53.55 2rjm s LEU 208 Cb -0.15 -0.81 -0.02 0.00 0.50 0.00 0.00 46.19 45.70 2rjm s LEU 208 CO 0.05 0.02 -0.07 -1.83 -1.32 0.00 0.00 176.35 173.20 2rjm s GLU 209 N 0.71 0.52 -0.10 1.98 -1.05 -1.26 -0.93 118.70 118.58 2rjm s GLU 209 Ca -0.14 -0.77 0.02 0.00 -0.15 0.00 0.00 54.97 53.93 2rjm s GLU 209 Cb -0.16 -0.26 0.02 0.00 -0.44 0.00 0.00 34.13 33.29 2rjm s GLU 209 CO 0.03 0.04 -0.14 0.00 0.95 0.00 0.00 175.26 176.15 2rjm s GLU 211 N 0.96 4.58 0.05 0.00 2.02 -1.26 -1.43 118.70 123.62 2rjm s GLU 211 Ca -0.08 1.46 0.08 0.00 0.02 0.00 0.00 54.97 56.46 2rjm s GLU 211 Cb -0.15 -3.43 -0.03 0.00 0.10 0.00 0.00 34.13 30.62 2rjm s GLU 211 CO -0.01 -0.02 -0.23 -1.17 0.02 0.00 0.00 175.26 173.86 2rjm s LEU 212 N 0.79 2.17 0.18 1.80 2.96 -0.38 -3.99 118.68 122.21 2rjm s LEU 212 Ca 0.52 -0.56 0.06 0.00 -0.22 0.00 0.00 54.13 53.93 2rjm s LEU 212 Cb -0.22 -1.09 -0.05 0.00 0.50 0.00 0.00 46.19 45.33 2rjm s LEU 212 CO 0.29 0.19 -0.13 -1.10 -1.32 0.00 0.00 176.35 174.28 2rjm s GLN 213 N -1.24 1.22 0.00 1.98 -0.21 -0.08 -4.55 119.66 116.77 2rjm s GLN 213 Ca 0.09 -1.53 0.00 0.00 0.02 0.00 0.00 55.36 53.94 2rjm s GLN 213 Cb -0.09 -0.92 0.00 0.00 1.00 0.00 0.00 33.01 33.00 2rjm s GLN 213 CO 0.02 0.14 0.00 0.41 -2.12 0.00 0.00 175.29 173.74 2rjm n GLY 214 N -0.29 0.67 3.55 3.09 0.00 -1.26 -1.38 105.19 109.58 2rjm n GLY 214 Ca -0.09 -2.20 -0.42 0.00 0.00 0.00 0.00 46.02 43.32 2rjm n GLY 214 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2rjm s THR 215 N -0.80 4.99 0.71 2.61 2.01 -0.54 -4.91 115.64 119.72 2rjm s THR 215 Ca 0.00 0.31 -0.10 0.00 0.31 0.00 0.00 61.69 62.21 2rjm s THR 215 Cb 0.00 -4.00 0.04 0.00 0.01 0.00 0.00 72.50 68.55 2rjm s THR 215 CO 0.00 -0.27 1.07 -2.16 -0.69 0.00 0.00 174.62 172.57 2rjm s PRO 216 N 2.45 2.52 0.62 4.92 0.04 -1.26 -4.70 135.00 139.60 2rjm s PRO 216 Ca 0.19 0.18 -0.12 0.00 0.04 0.00 0.00 61.00 61.29 2rjm s PRO 216 Cb -0.15 -2.07 -0.03 0.00 0.04 0.00 0.00 34.50 32.29 2rjm s PRO 216 CO 0.14 -1.16 1.03 -1.25 0.04 0.00 0.00 177.00 175.80 2rjm s PRO 217 N -5.34 3.43 0.09 0.56 0.04 -1.26 -5.14 135.00 127.39 2rjm s PRO 217 Ca 0.59 0.89 0.08 0.00 0.04 0.00 0.00 61.00 62.59 2rjm s PRO 217 Cb -0.11 -2.06 -0.04 0.00 0.04 0.00 0.00 34.50 32.34 2rjm s PRO 217 CO 0.49 -0.70 -0.15 -0.06 0.04 0.00 0.00 177.00 176.61 2rjm s PHE 218 N -2.99 2.61 -0.12 0.56 0.08 -1.26 -4.71 117.98 112.16 2rjm s PHE 218 Ca 0.57 -0.22 -0.18 0.00 0.12 0.00 0.00 56.93 57.22 2rjm s PHE 218 Cb -0.12 -1.40 -0.04 0.00 -0.57 0.00 0.00 43.02 40.88 2rjm s PHE 218 CO 0.49 0.37 0.49 -0.65 -0.10 0.00 0.00 175.22 175.82 2rjm s GLN 219 N -1.98 4.33 -0.05 0.44 -1.52 -0.03 -4.91 119.66 115.94 2rjm s GLN 219 Ca 0.18 0.46 0.05 0.00 -1.95 0.00 0.00 55.36 54.10 2rjm s GLN 219 Cb -0.11 -3.45 -0.01 0.00 -0.22 0.00 0.00 33.01 29.23 2rjm s GLN 219 CO 0.10 0.13 -0.19 0.08 -0.25 0.00 0.00 175.29 175.16 2rjm s VAL 220 N 0.71 1.59 0.03 1.09 1.01 -1.26 -0.87 120.40 122.70 2rjm s VAL 220 Ca 0.26 -0.81 0.02 0.00 0.00 0.00 0.00 61.98 61.46 2rjm s VAL 220 Cb -0.15 -1.36 -0.02 0.00 0.00 0.00 0.00 36.38 34.85 2rjm s VAL 220 CO 0.10 0.45 -0.08 -0.94 0.00 0.00 0.00 175.10 174.64 2rjm s SER 221 N -0.02 0.88 0.04 3.32 1.04 -0.51 -4.99 113.70 113.46 2rjm s SER 221 Ca -0.04 -0.39 0.04 0.00 0.48 0.00 0.00 55.95 56.04 2rjm s SER 221 Cb -0.12 -0.02 -0.04 0.00 0.10 0.00 0.00 66.02 65.95 2rjm s SER 221 CO 0.02 -0.09 -0.05 0.26 0.98 0.00 0.00 173.24 174.37 2rjm s TRP 222 N -0.91 2.90 0.08 5.02 0.52 -1.26 -0.46 118.94 124.84 2rjm s TRP 222 Ca -0.05 -0.04 -0.05 0.00 0.02 0.00 0.00 56.10 55.98 2rjm s TRP 222 Cb -0.07 -1.57 -0.02 0.00 -1.15 0.00 0.00 33.47 30.66 2rjm s TRP 222 CO 0.00 0.41 0.09 -1.01 0.02 0.00 0.00 176.95 176.47 2rjm s HIS 223 N -1.10 0.38 -0.28 -1.98 3.76 0.22 -0.33 115.29 115.96 2rjm s HIS 223 Ca 0.20 -0.85 -0.21 0.00 -0.15 0.00 0.00 55.06 54.05 2rjm s HIS 223 Cb -0.11 -0.23 0.10 0.00 1.11 0.00 0.00 32.58 33.45 2rjm s HIS 223 CO 0.11 -0.49 0.85 0.21 -0.85 0.00 0.00 174.74 174.57 2rjm s LYS 224 N -3.91 0.62 -1.51 1.40 2.20 -0.55 -1.31 119.74 116.68 2rjm s LYS 224 Ca 0.08 0.89 -0.10 0.00 -0.36 0.00 0.00 55.97 56.47 2rjm s LYS 224 Cb 0.06 0.23 0.07 0.00 -1.51 0.00 0.00 37.83 36.68 2rjm s LYS 224 CO -0.09 -0.10 0.80 -0.25 -0.36 0.00 0.00 175.35 175.35 2rjm n ASP 225 N 3.20 -3.08 -0.69 1.43 8.00 -1.26 -1.39 116.55 122.75 2rjm n ASP 225 Ca -0.16 -0.88 -0.09 0.00 0.71 0.00 0.00 54.79 54.37 2rjm n ASP 225 Cb 0.57 -3.52 -0.04 0.00 -0.02 0.00 0.00 41.12 38.11 2rjm n ASP 225 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2rjm n LYS 226 N -4.50 -1.13 -4.96 -1.24 5.02 -1.26 -4.98 118.16 105.10 2rjm n LYS 226 Ca -0.07 0.76 -0.32 0.00 -2.02 0.00 0.00 58.31 56.66 2rjm n LYS 226 Cb 0.57 -4.84 -0.15 0.00 -0.02 0.00 0.00 35.03 30.59 2rjm n LYS 226 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2rjm s ARG 227 N -2.53 3.14 0.14 1.97 1.81 -0.48 -5.11 118.95 117.88 2rjm s ARG 227 Ca 0.00 -0.76 -0.30 0.00 -1.72 0.00 0.00 55.73 52.94 2rjm s ARG 227 Cb 0.00 -2.47 -0.07 0.00 -0.45 0.00 0.00 34.95 31.96 2rjm s ARG 227 CO 0.00 0.25 1.18 -2.00 -0.68 0.00 0.00 175.30 174.06 2rjm s GLU 228 N 0.21 4.49 -0.19 3.54 2.12 -1.26 -1.49 118.70 126.12 2rjm s GLU 228 Ca -0.11 1.82 -0.09 0.00 0.36 0.00 0.00 54.97 56.94 2rjm s GLU 228 Cb -0.16 -3.28 -0.05 0.00 0.26 0.00 0.00 34.13 30.90 2rjm s GLU 228 CO 0.06 -0.12 0.13 -0.51 -0.54 0.00 0.00 175.26 174.28 2rjm s LEU 229 N 0.18 4.21 0.15 2.70 1.43 0.55 -4.96 118.68 122.93 2rjm s LEU 229 Ca 0.54 0.26 0.07 0.00 -1.03 0.00 0.00 54.13 53.96 2rjm s LEU 229 Cb -0.31 -2.08 -0.04 0.00 0.03 0.00 0.00 46.19 43.79 2rjm s LEU 229 CO 0.34 0.22 -0.15 -0.13 0.23 0.00 0.00 176.35 176.86 2rjm s ARG 230 N 0.14 1.13 0.36 1.70 0.52 -1.26 -4.35 118.95 117.19 2rjm s ARG 230 Ca 0.09 -1.35 -0.28 0.00 -0.52 0.00 0.00 55.73 53.67 2rjm s ARG 230 Cb -0.11 -1.00 -0.11 0.00 0.52 0.00 0.00 34.95 34.25 2rjm s ARG 230 CO -0.01 0.19 1.42 -1.12 0.02 0.00 0.00 175.30 175.80 2rjm s SER 231 N -2.70 6.48 0.00 0.23 0.01 -1.26 -4.37 113.70 112.08 2rjm s SER 231 Ca 0.13 2.93 0.00 0.00 1.31 0.00 0.00 55.95 60.32 2rjm s SER 231 Cb -0.04 -2.66 0.00 0.00 0.21 0.00 0.00 66.02 63.53 2rjm s SER 231 CO 0.04 -0.76 0.00 0.61 0.41 0.00 0.00 173.24 173.54 2rjm n GLY 232 N 0.57 -0.97 0.07 3.44 0.00 0.12 -4.94 105.19 103.49 2rjm n GLY 232 Ca 0.01 0.07 0.13 0.00 0.00 0.00 0.00 46.02 46.22 2rjm n GLY 232 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2rjm n LYS 233 N 0.00 0.23 -0.10 1.61 5.02 -1.26 -4.29 118.16 119.38 2rjm n LYS 233 Ca 0.00 0.13 -0.13 0.00 -2.02 0.00 0.00 58.31 56.29 2rjm n LYS 233 Cb 0.00 -1.71 -0.10 0.00 -0.02 0.00 0.00 35.03 33.20 2rjm n LYS 233 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 2rjm n LYS 234 N -2.09 0.61 -4.89 1.97 3.00 -1.26 -4.85 118.16 110.65 2rjm n LYS 234 Ca 0.05 0.10 -0.27 0.00 -0.00 0.00 0.00 58.31 58.19 2rjm n LYS 234 Cb 0.42 -1.40 -0.16 0.00 0.00 0.00 0.00 35.03 33.89 2rjm n LYS 234 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.40 178.11 2rjm s TYR 235 N -2.40 1.84 -0.24 5.64 2.02 -1.26 -0.52 117.35 122.43 2rjm s TYR 235 Ca -0.25 -0.57 -0.03 0.00 -0.37 0.00 0.00 57.07 55.85 2rjm s TYR 235 Cb 0.07 -1.24 0.01 0.00 -0.40 0.00 0.00 41.96 40.39 2rjm s TYR 235 CO 0.48 -0.20 -0.04 0.15 -1.57 0.00 0.00 175.55 174.37 2rjm s LYS 236 N 0.10 3.13 -0.17 -0.62 1.02 -0.12 -0.70 119.74 122.38 2rjm s LYS 236 Ca -0.06 -0.79 -0.03 0.00 0.02 0.00 0.00 55.97 55.11 2rjm s LYS 236 Cb -0.13 -3.03 -0.02 0.00 -0.52 0.00 0.00 37.83 34.13 2rjm s LYS 236 CO 0.03 -0.30 -0.05 0.42 -0.92 0.00 0.00 175.35 174.53 2rjm s ILE 237 N 1.42 3.67 -0.16 2.17 1.01 -1.26 -0.61 121.20 127.44 2rjm s ILE 237 Ca 0.03 -0.42 -0.01 0.00 0.00 0.00 0.00 60.65 60.24 2rjm s ILE 237 Cb -0.15 -2.62 -0.01 0.00 0.01 0.00 0.00 42.46 39.68 2rjm s ILE 237 CO -0.03 0.47 -0.10 -0.04 0.00 0.00 0.00 174.94 175.24 2rjm s MET 238 N 0.67 3.39 -0.28 2.79 -1.94 -0.15 -4.99 119.30 118.79 2rjm s MET 238 Ca -0.03 -0.66 0.02 0.00 -1.71 0.00 0.00 55.69 53.32 2rjm s MET 238 Cb -0.15 -2.76 0.07 0.00 2.01 0.00 0.00 34.83 34.01 2rjm s MET 238 CO 0.02 0.08 -0.03 -1.12 -0.01 0.00 0.00 175.02 173.96 2rjm s SER 239 N 0.73 4.34 0.38 3.03 0.01 -1.26 -0.68 113.70 120.24 2rjm s SER 239 Ca -0.05 -1.57 0.08 0.00 1.31 0.00 0.00 55.95 55.72 2rjm s SER 239 Cb -0.15 -1.41 -0.02 0.00 0.21 0.00 0.00 66.02 64.65 2rjm s SER 239 CO 0.02 -0.28 0.35 -1.61 0.41 0.00 0.00 173.24 172.13 2rjm s GLU 240 N 1.17 2.62 0.22 12.44 0.41 -0.18 -5.02 118.70 130.35 2rjm s GLU 240 Ca -0.01 -1.43 -0.13 0.00 -0.41 0.00 0.00 54.97 53.00 2rjm s GLU 240 Cb -0.19 -2.43 0.27 0.00 -1.78 0.00 0.00 34.13 30.01 2rjm s GLU 240 CO -0.08 -0.07 1.62 -0.91 -0.49 0.00 0.00 175.26 175.33 2rjm h ASN 241 N 1.11 -0.62 0.00 -0.19 -0.26 -1.99 -3.12 115.58 110.51 2rjm h ASN 241 Ca -0.43 0.20 0.00 0.00 -0.56 0.00 0.00 56.30 55.52 2rjm h ASN 241 Cb 1.26 0.42 0.00 0.00 -1.06 0.00 0.00 38.32 38.94 2rjm h ASN 241 CO 0.57 -0.22 -0.00 0.49 -1.06 0.00 0.00 177.43 177.21 2rjm n PHE 242 N -5.45 0.00 -3.65 1.19 3.72 -1.26 -4.83 117.46 107.17 2rjm n PHE 242 Ca 0.09 -0.98 -0.05 0.00 -0.05 0.00 0.00 57.45 56.46 2rjm n PHE 242 Cb 0.36 -0.15 -0.07 0.00 -0.94 0.00 0.00 39.48 38.68 2rjm n PHE 242 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 176.76 175.54 2rjm s LEU 243 N -2.80 -0.89 -0.09 4.37 2.96 -1.18 -1.25 118.68 119.80 2rjm s LEU 243 Ca 0.31 1.30 -0.01 0.00 -0.22 0.00 0.00 54.13 55.51 2rjm s LEU 243 Cb 0.27 1.87 -0.03 0.00 0.50 0.00 0.00 46.19 48.80 2rjm s LEU 243 CO 0.03 -0.23 -0.05 0.42 -1.32 0.00 0.00 176.35 175.20 2rjm s THR 244 N 2.67 3.82 0.03 3.68 -4.23 -0.51 -1.01 115.64 120.08 2rjm s THR 244 Ca -0.04 -0.42 -0.04 0.00 -1.18 0.00 0.00 61.69 60.00 2rjm s THR 244 Cb -0.12 -2.60 -0.01 0.00 1.34 0.00 0.00 72.50 71.11 2rjm s THR 244 CO -0.16 0.57 0.07 -0.94 -0.54 0.00 0.00 174.62 173.62 2rjm s SER 245 N -0.48 0.19 -0.05 3.99 1.04 0.14 -0.27 113.70 118.25 2rjm s SER 245 Ca 0.07 -0.50 0.06 0.00 0.48 0.00 0.00 55.95 56.06 2rjm s SER 245 Cb -0.12 0.19 -0.01 0.00 0.10 0.00 0.00 66.02 66.18 2rjm s SER 245 CO 0.02 -0.44 -0.22 -0.51 0.98 0.00 0.00 173.24 173.07 2rjm s ILE 246 N -2.20 1.84 -0.25 -1.02 2.07 -0.10 -0.97 121.20 120.57 2rjm s ILE 246 Ca -0.09 -0.95 -0.01 0.00 -1.41 0.00 0.00 60.65 58.19 2rjm s ILE 246 Cb -0.04 -1.57 0.03 0.00 0.13 0.00 0.00 42.46 41.01 2rjm s ILE 246 CO -0.03 0.52 -0.07 -2.28 -1.91 0.00 0.00 174.94 171.17 2rjm s HIS 247 N -0.10 3.07 -0.29 3.50 5.65 0.22 -1.42 115.29 125.92 2rjm s HIS 247 Ca -0.04 -1.62 -0.12 0.00 0.25 0.00 0.00 55.06 53.54 2rjm s HIS 247 Cb -0.13 -2.05 -0.04 0.00 -1.18 0.00 0.00 32.58 29.18 2rjm s HIS 247 CO 0.03 -0.74 0.21 0.42 -0.65 0.00 0.00 174.74 174.01 2rjm s ILE 248 N 1.31 5.29 0.27 0.89 1.01 0.08 -0.95 121.20 129.10 2rjm s ILE 248 Ca -0.00 0.16 -0.06 0.00 0.00 0.00 0.00 60.65 60.75 2rjm s ILE 248 Cb -0.17 -3.57 -0.06 0.00 0.01 0.00 0.00 42.46 38.68 2rjm s ILE 248 CO -0.05 0.21 0.54 -0.76 0.00 0.00 0.00 174.94 174.88 2rjm s LEU 249 N 1.79 4.09 -1.02 2.97 1.43 0.32 -1.35 118.68 126.91 2rjm s LEU 249 Ca 0.08 0.75 -0.13 0.00 -1.03 0.00 0.00 54.13 53.79 2rjm s LEU 249 Cb -0.16 -3.54 -0.01 0.00 0.03 0.00 0.00 46.19 42.50 2rjm s LEU 249 CO 0.11 -0.15 0.77 0.59 0.23 0.00 0.00 176.35 177.89 2rjm n ASN 250 N -0.71 -5.85 -4.72 2.29 5.03 -1.05 -4.79 115.26 105.47 2rjm n ASN 250 Ca -0.01 -0.82 -0.42 0.00 0.87 0.00 0.00 54.58 54.20 2rjm n ASN 250 Cb 0.53 -3.69 -0.03 0.00 -1.02 0.00 0.00 39.78 35.57 2rjm n ASN 250 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 2rjm s VAL 251 N -3.31 2.37 0.45 2.41 1.01 0.64 -4.65 120.40 119.31 2rjm s VAL 251 Ca 0.33 0.27 0.03 0.00 0.00 0.00 0.00 61.98 62.61 2rjm s VAL 251 Cb -0.11 -3.17 -0.04 0.00 0.00 0.00 0.00 36.38 33.06 2rjm s VAL 251 CO 0.83 0.02 0.03 1.51 0.00 0.00 0.00 175.10 177.50 2rjm s ASP 252 N 1.14 3.64 0.33 3.32 1.47 -1.26 -0.35 116.67 124.96 2rjm s ASP 252 Ca 0.72 -1.55 0.12 0.00 1.18 0.00 0.00 52.55 53.02 2rjm s ASP 252 Cb -0.46 0.21 1.00 0.00 -0.34 0.00 0.00 42.92 43.33 2rjm s ASP 252 CO 0.32 -0.73 1.67 0.28 0.68 0.00 0.00 175.17 177.39 2rjm h SER 253 N 1.62 0.47 0.39 2.11 0.02 -1.98 0.60 113.55 116.78 2rjm h SER 253 Ca -0.42 0.18 0.00 0.00 -0.84 0.00 0.00 61.79 60.71 2rjm h SER 253 Cb 1.28 0.14 0.00 0.00 0.14 0.00 0.00 62.40 63.96 2rjm h SER 253 CO 0.73 -0.10 0.00 0.00 -1.14 0.00 0.00 176.83 176.32 2rjm h ALA 254 N 1.82 1.00 0.00 3.77 0.00 -2.00 -2.49 119.26 121.36 2rjm h ALA 254 Ca 0.69 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.60 2rjm h ALA 254 Cb 1.52 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.31 2rjm h ALA 254 CO -0.59 0.00 -0.12 -0.25 0.00 0.00 0.00 179.25 178.29 2rjm n ASP 255 N -2.98 0.25 -4.71 0.00 8.00 0.20 -4.85 116.55 112.46 2rjm n ASP 255 Ca -0.01 0.36 -0.40 0.00 0.71 0.00 0.00 54.79 55.44 2rjm n ASP 255 Cb 0.16 -0.37 -0.04 0.00 -0.02 0.00 0.00 41.12 40.84 2rjm n ASP 255 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2rjm s ILE 256 N -3.02 4.99 -5.00 0.53 -1.09 -0.94 -4.73 121.20 111.93 2rjm s ILE 256 Ca 0.13 1.63 0.00 0.00 -2.23 0.00 0.00 60.65 60.18 2rjm s ILE 256 Cb 0.17 -4.13 0.00 0.00 -1.58 0.00 0.00 42.46 36.93 2rjm s ILE 256 CO 0.58 0.21 0.00 0.61 -1.23 0.00 0.00 174.94 175.11 2rjm n GLY 257 N 3.07 0.86 3.83 6.18 0.00 -0.30 -4.99 105.19 113.85 2rjm n GLY 257 Ca 0.01 -1.83 -0.38 0.00 0.00 0.00 0.00 46.02 43.83 2rjm n GLY 257 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2rjm s GLU 258 N -2.00 3.98 -0.01 1.61 2.12 -1.26 -1.33 118.70 121.81 2rjm s GLU 258 Ca 0.00 0.48 0.07 0.00 0.36 0.00 0.00 54.97 55.88 2rjm s GLU 258 Cb 0.00 -3.17 -0.02 0.00 0.26 0.00 0.00 34.13 31.20 2rjm s GLU 258 CO 0.00 0.64 -0.23 0.71 -0.54 0.00 0.00 175.26 175.84 2rjm s TYR 259 N -1.16 2.04 -0.08 5.30 2.02 0.65 -4.50 117.35 121.61 2rjm s TYR 259 Ca 0.28 -0.39 0.04 0.00 -0.37 0.00 0.00 57.07 56.63 2rjm s TYR 259 Cb -0.17 -1.31 -0.00 0.00 -0.40 0.00 0.00 41.96 40.08 2rjm s TYR 259 CO 0.16 -0.03 -0.21 -0.65 -1.57 0.00 0.00 175.55 173.25 2rjm s GLN 260 N -0.56 2.55 -0.23 -0.62 1.11 -0.42 -1.64 119.66 119.85 2rjm s GLN 260 Ca 0.09 -0.77 -0.04 0.00 0.01 0.00 0.00 55.36 54.64 2rjm s GLN 260 Cb -0.09 -2.02 -0.01 0.00 -1.01 0.00 0.00 33.01 29.88 2rjm s GLN 260 CO -0.01 0.20 -0.03 0.00 0.01 0.00 0.00 175.29 175.47 2rjm s LYS 262 N 1.49 3.83 -0.00 0.00 2.20 0.40 0.15 119.74 127.81 2rjm s LYS 262 Ca 0.05 -0.41 0.07 0.00 -0.36 0.00 0.00 55.97 55.32 2rjm s LYS 262 Cb -0.15 -3.09 -0.02 0.00 -1.51 0.00 0.00 37.83 33.07 2rjm s LYS 262 CO -0.02 0.28 -0.22 0.00 -0.36 0.00 0.00 175.35 175.03 2rjm s ALA 263 N 0.31 1.82 0.03 3.13 0.00 0.30 -1.42 121.76 125.93 2rjm s ALA 263 Ca 0.01 -0.98 -0.01 0.00 0.00 0.00 0.00 51.96 50.98 2rjm s ALA 263 Cb -0.13 -0.44 -0.02 0.00 0.00 0.00 0.00 23.12 22.53 2rjm s ALA 263 CO 0.01 0.44 -0.00 -1.54 0.00 0.00 0.00 175.76 174.67 2rjm s SER 264 N -0.68 0.26 0.00 0.00 1.04 -0.04 -1.20 113.70 113.08 2rjm s SER 264 Ca 0.08 -0.56 0.00 0.00 0.48 0.00 0.00 55.95 55.95 2rjm s SER 264 Cb -0.09 0.14 0.00 0.00 0.10 0.00 0.00 66.02 66.17 2rjm s SER 264 CO -0.00 -0.38 0.00 -0.46 0.98 0.00 0.00 173.24 173.38 2rjm n ASN 265 N 1.25 0.41 0.30 7.02 0.23 -0.43 -0.85 115.26 123.18 2rjm n ASN 265 Ca -0.22 -0.47 0.15 0.00 -0.53 0.00 0.00 54.58 53.51 2rjm n ASN 265 Cb 0.56 0.00 0.92 0.00 -2.08 0.00 0.00 39.78 39.18 2rjm n ASN 265 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 2rjm h ASP 266 N 0.00 0.00 -0.00 0.53 3.32 -1.92 -3.14 116.42 115.21 2rjm h ASP 266 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2rjm h ASP 266 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 2rjm h ASP 266 CO 0.00 0.01 -0.11 1.33 -1.72 0.00 0.00 179.24 178.74 2rjm n VAL 267 N -3.82 0.00 -1.97 -1.35 0.24 -1.26 -5.08 118.33 105.09 2rjm n VAL 267 Ca -0.03 -0.44 0.00 0.00 -2.04 0.00 0.00 64.34 61.83 2rjm n VAL 267 Cb 0.09 1.05 0.00 0.00 -1.47 0.00 0.00 33.84 33.51 2rjm n VAL 267 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2rjm n GLY 268 N 0.72 -1.30 3.25 7.63 0.00 -1.19 -4.75 105.19 109.55 2rjm n GLY 268 Ca 0.02 -0.94 -0.10 0.00 0.00 0.00 0.00 46.02 45.00 2rjm n GLY 268 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2rjm s SER 269 N -2.49 0.17 0.04 1.61 1.04 -1.26 -1.32 113.70 111.49 2rjm s SER 269 Ca 0.00 -1.06 -0.17 0.00 0.48 0.00 0.00 55.95 55.19 2rjm s SER 269 Cb 0.00 0.37 0.03 0.00 0.10 0.00 0.00 66.02 66.52 2rjm s SER 269 CO 0.00 -0.82 0.39 -0.47 0.98 0.00 0.00 173.24 173.32 2rjm s TYR 270 N -4.02 -0.23 -0.10 5.02 5.04 -0.34 -4.82 117.35 117.90 2rjm s TYR 270 Ca 0.22 0.18 0.02 0.00 -2.44 0.00 0.00 57.07 55.05 2rjm s TYR 270 Cb 0.05 0.19 0.01 0.00 0.35 0.00 0.00 41.96 42.57 2rjm s TYR 270 CO 0.02 -0.55 -0.17 0.99 -1.34 0.00 0.00 175.55 174.49 2rjm s THR 271 N -2.46 1.61 -0.11 4.34 2.01 -1.26 -0.54 115.64 119.24 2rjm s THR 271 Ca -0.05 -0.73 -0.11 0.00 0.31 0.00 0.00 61.69 61.10 2rjm s THR 271 Cb -0.01 -1.44 -0.05 0.00 0.01 0.00 0.00 72.50 71.01 2rjm s THR 271 CO -0.02 0.46 0.24 0.00 -0.69 0.00 0.00 174.62 174.61 2rjm s VAL 273 N -0.57 2.80 0.12 0.00 1.01 -1.26 -0.41 120.40 122.08 2rjm s VAL 273 Ca 0.17 -0.73 0.03 0.00 0.00 0.00 0.00 61.98 61.45 2rjm s VAL 273 Cb -0.13 -2.18 -0.04 0.00 0.00 0.00 0.00 36.38 34.02 2rjm s VAL 273 CO 0.06 0.51 -0.08 -0.83 0.00 0.00 0.00 175.10 174.76 2rjm s GLY 274 N 0.73 0.88 0.06 4.51 0.00 -0.65 -4.30 107.32 108.55 2rjm s GLY 274 Ca -0.06 -1.40 0.05 0.00 0.00 0.00 0.00 44.72 43.31 2rjm s GLY 274 CO 0.01 -1.50 -0.15 -1.35 0.00 0.00 0.00 173.10 170.11 2rjm s SER 275 N -3.07 1.78 -0.18 1.64 1.04 -1.26 -0.26 113.70 113.39 2rjm s SER 275 Ca 0.13 -0.55 -0.05 0.00 0.48 0.00 0.00 55.95 55.97 2rjm s SER 275 Cb 0.04 -0.09 -0.03 0.00 0.10 0.00 0.00 66.02 66.04 2rjm s SER 275 CO -0.03 -0.01 -0.01 -0.63 0.98 0.00 0.00 173.24 173.55 2rjm s ILE 276 N -1.06 4.05 0.28 -1.02 -1.09 -0.44 -0.92 121.20 120.99 2rjm s ILE 276 Ca 0.01 -0.29 0.11 0.00 -2.23 0.00 0.00 60.65 58.24 2rjm s ILE 276 Cb -0.09 -2.80 -0.05 0.00 -1.58 0.00 0.00 42.46 37.94 2rjm s ILE 276 CO 0.02 0.46 -0.09 0.42 -1.23 0.00 0.00 174.94 174.53 2rjm s THR 277 N 0.59 2.97 0.03 2.92 -4.23 -0.34 -1.15 115.64 116.44 2rjm s THR 277 Ca -0.01 -2.13 0.06 0.00 -1.18 0.00 0.00 61.69 58.43 2rjm s THR 277 Cb -0.14 -2.61 -0.03 0.00 1.34 0.00 0.00 72.50 71.05 2rjm s THR 277 CO 0.02 -0.37 -0.14 -0.22 -0.54 0.00 0.00 174.62 173.37 2rjm s LEU 278 N -3.61 2.78 -0.20 4.79 2.96 -1.26 -1.48 118.68 122.67 2rjm s LEU 278 Ca 0.31 -0.34 -0.08 0.00 -0.22 0.00 0.00 54.13 53.80 2rjm s LEU 278 Cb -0.05 -1.62 -0.04 0.00 0.50 0.00 0.00 46.19 44.98 2rjm s LEU 278 CO 0.18 0.26 0.07 -0.75 -1.32 0.00 0.00 176.35 174.79 2rjm s LYS 279 N -1.45 3.91 0.00 1.98 2.20 0.16 -4.87 119.74 121.67 2rjm s LYS 279 Ca 0.16 -0.37 0.00 0.00 -0.36 0.00 0.00 55.97 55.40 2rjm s LYS 279 Cb -0.11 -3.26 0.00 0.00 -1.51 0.00 0.00 37.83 32.95 2rjm s LYS 279 CO 0.06 0.16 0.00 0.00 -0.36 0.00 0.00 175.35 175.21