#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ndj s THR 11 N 0.00 4.07 -0.06 0.52 -4.23 -1.26 -4.90 115.64 109.79 3ndj s THR 11 Ca 0.00 1.05 -0.18 0.00 -1.18 0.00 0.00 61.69 61.37 3ndj s THR 11 Cb 0.00 -3.51 -0.05 0.00 1.34 0.00 0.00 72.50 70.28 3ndj s THR 11 CO 0.00 -0.52 0.51 0.00 -0.54 0.00 0.00 174.62 174.07 3ndj s ALA 12 N -2.42 3.52 0.18 3.99 0.00 -1.26 -2.45 121.76 123.30 3ndj s ALA 12 Ca 0.62 -0.12 -0.33 0.00 0.00 0.00 0.00 51.96 52.14 3ndj s ALA 12 Cb -0.14 -2.64 -0.15 0.00 0.00 0.00 0.00 23.12 20.20 3ndj s ALA 12 CO 0.31 0.14 1.38 0.00 0.00 0.00 0.00 175.76 177.60 3ndj n ARG 14 N 2.40 0.23 -0.10 0.00 5.12 -1.26 -0.94 116.66 122.11 3ndj n ARG 14 Ca 0.15 0.36 -0.21 0.00 -1.93 0.00 0.00 57.85 56.22 3ndj n ARG 14 Cb 0.27 -1.87 -0.10 0.00 -1.16 0.00 0.00 32.46 29.60 3ndj n ARG 14 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 3ndj n VAL 15 N -2.28 1.52 0.07 1.55 0.31 -1.26 -4.53 118.33 113.70 3ndj n VAL 15 Ca 0.03 -0.02 0.01 0.00 -0.01 0.00 0.00 64.34 64.35 3ndj n VAL 15 Cb 0.30 -2.07 -0.01 0.00 -0.91 0.00 0.00 33.84 31.16 3ndj n VAL 15 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3ndj n GLY 17 N 1.15 0.87 3.02 0.00 0.00 -0.11 -4.98 105.19 105.14 3ndj n GLY 17 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 3ndj n GLY 17 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ndj n GLY 18 N -2.15 -3.01 3.77 -0.02 0.00 -1.26 -4.27 105.19 98.24 3ndj n GLY 18 Ca 0.00 -1.44 -0.39 0.00 0.00 0.00 0.00 46.02 44.19 3ndj n GLY 18 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3ndj s GLY 19 N -3.95 2.66 -0.25 -0.02 0.00 -1.26 -0.36 107.32 104.14 3ndj s GLY 19 Ca 0.62 0.08 -0.09 0.00 0.00 0.00 0.00 44.72 45.33 3ndj s GLY 19 CO 0.48 0.75 0.11 0.14 0.00 0.00 0.00 173.10 174.58 3ndj s VAL 20 N -0.37 4.75 -0.23 1.40 1.01 -1.03 0.31 120.40 126.24 3ndj s VAL 20 Ca 0.32 -0.03 -0.09 0.00 0.00 0.00 0.00 61.98 62.18 3ndj s VAL 20 Cb -0.19 -3.22 -0.04 0.00 0.00 0.00 0.00 36.38 32.93 3ndj s VAL 20 CO 0.19 0.33 0.12 -1.10 0.00 0.00 0.00 175.10 174.64 3ndj s GLN 21 N 1.43 3.95 0.38 2.72 -0.21 -0.33 -4.39 119.66 123.19 3ndj s GLN 21 Ca 0.06 -0.34 -0.26 0.00 0.02 0.00 0.00 55.36 54.84 3ndj s GLN 21 Cb -0.15 -3.44 -0.09 0.00 1.00 0.00 0.00 33.01 30.34 3ndj s GLN 21 CO 0.05 0.03 1.17 -1.21 -2.12 0.00 0.00 175.29 173.22 3ndj s GLU 22 N 1.10 4.17 0.00 2.91 2.02 -1.26 -1.05 118.70 126.59 3ndj s GLU 22 Ca 0.06 1.87 0.00 0.00 0.02 0.00 0.00 54.97 56.92 3ndj s GLU 22 Cb -0.14 -2.78 0.00 0.00 0.10 0.00 0.00 34.13 31.31 3ndj s GLU 22 CO 0.04 -0.23 0.00 1.97 0.02 0.00 0.00 175.26 177.06 3ndj n PHE 23 N 0.30 0.00 -3.74 1.61 1.16 0.53 -4.92 117.46 112.39 3ndj n PHE 23 Ca 0.03 0.00 -0.14 0.00 -1.87 0.00 0.00 57.45 55.47 3ndj n PHE 23 Cb 0.46 0.00 -0.14 0.00 -1.61 0.00 0.00 39.48 38.18 3ndj n PHE 23 CO 0.00 0.00 0.00 -1.17 -1.87 0.00 0.00 176.76 173.72 3ndj s LEU 24 N -0.80 0.63 -0.20 5.98 2.96 -1.04 -4.73 118.68 121.47 3ndj s LEU 24 Ca 0.00 0.32 0.01 0.00 -0.22 0.00 0.00 54.13 54.25 3ndj s LEU 24 Cb 0.00 0.39 0.04 0.00 0.50 0.00 0.00 46.19 47.12 3ndj s LEU 24 CO 0.00 -0.16 -0.13 -0.62 -1.32 0.00 0.00 176.35 174.12 3ndj s ASP 25 N 1.27 3.52 0.00 3.68 2.15 -1.26 -1.30 116.67 124.73 3ndj s ASP 25 Ca -0.08 -0.92 0.22 0.00 0.43 0.00 0.00 52.55 52.20 3ndj s ASP 25 Cb -0.12 -1.36 0.62 0.00 -0.30 0.00 0.00 42.92 41.77 3ndj s ASP 25 CO -0.06 -0.11 1.52 0.18 -0.17 0.00 0.00 175.17 176.52 3ndj n LEU 26 N 4.62 3.89 0.00 -1.34 4.77 0.76 -5.00 117.00 124.70 3ndj n LEU 26 Ca -0.16 -1.98 0.00 0.00 -0.03 0.00 0.00 56.01 53.84 3ndj n LEU 26 Cb 0.47 -0.47 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 3ndj n LEU 26 CO 0.22 0.97 0.00 0.61 -1.33 0.00 0.00 177.39 177.86 3ndj n GLY 27 N 1.59 -1.72 3.74 -0.72 0.00 -1.10 -4.63 105.19 102.34 3ndj n GLY 27 Ca 0.24 -1.44 -0.41 0.00 0.00 0.00 0.00 46.02 44.41 3ndj n GLY 27 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ndj s ARG 28 N 0.00 4.67 0.03 1.61 1.81 -1.26 -0.97 118.95 124.83 3ndj s ARG 28 Ca 0.00 1.60 0.01 0.00 -1.72 0.00 0.00 55.73 55.62 3ndj s ARG 28 Cb 0.00 -3.31 -0.02 0.00 -0.45 0.00 0.00 34.95 31.17 3ndj s ARG 28 CO 0.00 0.18 -0.06 -0.65 -0.68 0.00 0.00 175.30 174.09 3ndj s GLN 29 N -0.36 0.44 0.78 3.54 -1.52 0.29 -4.85 119.66 117.98 3ndj s GLN 29 Ca 0.47 -0.70 -0.10 0.00 -1.95 0.00 0.00 55.36 53.09 3ndj s GLN 29 Cb -0.27 -0.13 0.09 0.00 -0.22 0.00 0.00 33.01 32.49 3ndj s GLN 29 CO 0.33 0.01 1.12 -1.25 -0.25 0.00 0.00 175.29 175.24 3ndj s PRO 30 N -1.53 1.85 0.20 2.91 0.04 -1.26 -1.37 135.00 135.84 3ndj s PRO 30 Ca -0.12 -0.20 -0.32 0.00 0.04 0.00 0.00 61.00 60.39 3ndj s PRO 30 Cb -0.10 -2.06 -0.13 0.00 0.04 0.00 0.00 34.50 32.26 3ndj s PRO 30 CO -0.00 -1.55 1.66 1.28 0.04 0.00 0.00 177.00 178.43 3ndj n LEU 31 N -3.18 3.72 0.14 -3.56 4.77 -1.24 -4.81 117.00 112.83 3ndj n LEU 31 Ca 0.09 1.08 -0.00 0.00 -0.03 0.00 0.00 56.01 57.15 3ndj n LEU 31 Cb 0.60 -1.53 0.14 0.00 -2.33 0.00 0.00 43.42 40.31 3ndj n LEU 31 CO 0.52 0.01 0.47 0.77 -1.33 0.00 0.00 177.39 177.84 3ndj h SER 32 N 6.27 0.00 -0.35 -1.43 4.64 -1.96 -3.22 113.55 117.50 3ndj h SER 32 Ca -0.44 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 60.86 3ndj h SER 32 Cb 1.22 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.30 3ndj h SER 32 CO 0.92 0.62 0.01 0.47 -0.87 0.00 0.00 176.83 177.98 3ndj n ASP 33 N -3.59 4.24 -4.49 4.97 8.00 -1.26 -4.54 116.55 119.87 3ndj n ASP 33 Ca -0.00 -3.05 -0.42 0.00 0.71 0.00 0.00 54.79 52.03 3ndj n ASP 33 Cb 0.66 -0.59 -0.10 0.00 -0.02 0.00 0.00 41.12 41.07 3ndj n ASP 33 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 3ndj s ARG 34 N -2.85 3.23 -0.40 -1.24 3.52 -1.22 -4.55 118.95 115.43 3ndj s ARG 34 Ca 0.46 -0.81 -0.09 0.00 -0.13 0.00 0.00 55.73 55.16 3ndj s ARG 34 Cb 0.37 -3.90 0.07 0.00 -1.56 0.00 0.00 34.95 29.93 3ndj s ARG 34 CO 0.10 -0.62 0.23 -0.06 -0.81 0.00 0.00 175.30 174.14 3ndj s PHE 35 N 1.76 3.33 0.30 5.12 0.08 -1.26 -3.76 117.98 123.54 3ndj s PHE 35 Ca 0.06 -1.49 -0.24 0.00 0.12 0.00 0.00 56.93 55.38 3ndj s PHE 35 Cb -0.18 -2.83 -0.09 0.00 -0.57 0.00 0.00 43.02 39.34 3ndj s PHE 35 CO 0.11 -0.82 0.87 1.03 -0.10 0.00 0.00 175.22 176.31 3ndj s ARG 36 N 1.42 4.45 0.54 0.44 0.52 -1.09 -4.69 118.95 120.54 3ndj s ARG 36 Ca 0.02 1.16 -0.22 0.00 -0.52 0.00 0.00 55.73 56.18 3ndj s ARG 36 Cb -0.22 -2.78 -0.05 0.00 0.52 0.00 0.00 34.95 32.42 3ndj s ARG 36 CO 0.02 0.30 1.33 0.15 0.02 0.00 0.00 175.30 177.12 3ndj s LYS 37 N -2.11 3.20 0.53 3.54 -0.14 -1.26 0.73 119.74 124.22 3ndj s LYS 37 Ca 0.49 2.17 0.29 0.00 -1.36 0.00 0.00 55.97 57.55 3ndj s LYS 37 Cb -0.17 -2.26 1.43 0.00 -1.68 0.00 0.00 37.83 35.15 3ndj s LYS 37 CO 0.22 -1.13 1.92 -1.35 -0.76 0.00 0.00 175.35 174.26 3ndj h PRO 38 N 1.50 0.03 -0.02 -1.68 0.11 -1.91 -2.10 132.00 127.92 3ndj h PRO 38 Ca -0.51 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3ndj h PRO 38 Cb 1.29 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.40 3ndj h PRO 38 CO 0.57 0.02 0.00 -0.40 -0.21 0.00 0.00 178.00 177.98 3ndj n ASP 39 N -4.32 1.59 -4.76 -2.05 5.68 -1.26 -4.91 116.55 106.51 3ndj n ASP 39 Ca 0.16 -1.53 -0.38 0.00 -0.50 0.00 0.00 54.79 52.53 3ndj n ASP 39 Cb 0.83 -0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.81 3ndj n ASP 39 CO 0.00 0.00 0.00 -1.61 -1.33 0.00 0.00 177.20 174.26 3ndj s GLU 40 N -1.99 3.70 0.08 0.11 2.02 -0.79 -4.93 118.70 116.89 3ndj s GLU 40 Ca 0.37 2.01 -0.30 0.00 0.02 0.00 0.00 54.97 57.07 3ndj s GLU 40 Cb 0.21 -2.50 -0.16 0.00 0.10 0.00 0.00 34.13 31.77 3ndj s GLU 40 CO 0.33 -0.67 0.72 -0.11 0.02 0.00 0.00 175.26 175.55 3ndj n LEU 41 N -0.38 -0.49 -3.57 1.80 0.00 -1.26 -4.79 117.00 108.32 3ndj n LEU 41 Ca 0.07 1.00 -0.41 0.00 0.00 0.00 0.00 56.01 56.66 3ndj n LEU 41 Cb 0.46 -0.81 -0.01 0.00 0.00 0.00 0.00 43.42 43.06 3ndj n LEU 41 CO 0.52 -2.07 2.87 -0.67 0.00 0.00 0.00 177.39 178.03 3ndj n ASP 42 N 1.49 6.11 -4.26 1.96 4.64 -1.26 -4.81 116.55 120.43 3ndj n ASP 42 Ca 0.17 -2.79 -0.30 0.00 -1.38 0.00 0.00 54.79 50.49 3ndj n ASP 42 Cb 0.13 -1.58 -0.16 0.00 -1.04 0.00 0.00 41.12 38.47 3ndj n ASP 42 CO 0.00 0.00 0.00 -0.62 -0.82 0.00 0.00 177.20 175.76 3ndj s ASP 43 N 2.38 2.82 0.01 1.67 2.15 -1.26 -5.15 116.67 119.30 3ndj s ASP 43 Ca 0.55 -0.45 -0.00 0.00 0.43 0.00 0.00 52.55 53.08 3ndj s ASP 43 Cb 0.15 -0.53 -0.01 0.00 -0.30 0.00 0.00 42.92 42.23 3ndj s ASP 43 CO -0.07 0.26 -0.02 -1.61 -0.17 0.00 0.00 175.17 173.56 3ndj s GLU 44 N -0.36 0.24 0.22 4.34 2.02 -1.26 -5.13 118.70 118.77 3ndj s GLU 44 Ca 0.03 -0.46 -0.32 0.00 0.02 0.00 0.00 54.97 54.25 3ndj s GLU 44 Cb -0.11 0.09 -0.13 0.00 0.10 0.00 0.00 34.13 34.08 3ndj s GLU 44 CO 0.01 -0.04 1.60 0.34 0.02 0.00 0.00 175.26 177.19 3ndj n PHE 45 N 1.95 2.53 -4.34 1.61 7.35 -1.26 -5.01 117.46 120.28 3ndj n PHE 45 Ca -0.21 0.22 -0.18 0.00 -0.76 0.00 0.00 57.45 56.52 3ndj n PHE 45 Cb 0.56 -2.58 -0.10 0.00 0.35 0.00 0.00 39.48 37.71 3ndj n PHE 45 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 3ndj s THR 46 N 0.63 1.07 0.23 -2.13 -4.23 -1.26 -3.69 115.64 106.27 3ndj s THR 46 Ca 0.73 -2.04 -0.13 0.00 -1.18 0.00 0.00 61.69 59.07 3ndj s THR 46 Cb -0.58 -2.38 -0.00 0.00 1.34 0.00 0.00 72.50 70.88 3ndj s THR 46 CO 0.40 -0.30 0.45 -0.72 -0.54 0.00 0.00 174.62 173.91 3ndj s TYR 47 N -3.39 0.32 -0.27 3.99 -0.85 -0.47 -4.94 117.35 111.74 3ndj s TYR 47 Ca 0.29 -0.68 -0.16 0.00 -0.52 0.00 0.00 57.07 56.00 3ndj s TYR 47 Cb 0.06 0.16 -0.03 0.00 0.38 0.00 0.00 41.96 42.53 3ndj s TYR 47 CO 0.09 -0.94 0.41 0.50 -1.52 0.00 0.00 175.55 174.09 3ndj s ARG 48 N -4.00 3.99 -0.34 -3.49 3.52 -1.26 -0.55 118.95 116.83 3ndj s ARG 48 Ca 0.20 0.07 -0.15 0.00 -0.13 0.00 0.00 55.73 55.72 3ndj s ARG 48 Cb 0.00 -3.67 -0.01 0.00 -1.56 0.00 0.00 34.95 29.71 3ndj s ARG 48 CO 0.06 -0.32 0.38 -1.17 -0.81 0.00 0.00 175.30 173.45 3ndj s LEU 49 N 2.13 4.40 -0.03 -0.88 2.96 -0.15 -4.45 118.68 122.67 3ndj s LEU 49 Ca 0.16 -0.18 -0.14 0.00 -0.22 0.00 0.00 54.13 53.75 3ndj s LEU 49 Cb -0.16 -2.37 0.02 0.00 0.50 0.00 0.00 46.19 44.19 3ndj s LEU 49 CO 0.10 -0.34 0.31 0.00 -1.32 0.00 0.00 176.35 175.10 3ndj s ALA 50 N 2.06 -0.79 0.06 5.97 0.00 -1.26 -0.17 121.76 127.62 3ndj s ALA 50 Ca 0.13 0.39 0.06 0.00 0.00 0.00 0.00 51.96 52.54 3ndj s ALA 50 Cb -0.16 0.01 -0.03 0.00 0.00 0.00 0.00 23.12 22.94 3ndj s ALA 50 CO 0.12 -0.25 -0.17 0.08 0.00 0.00 0.00 175.76 175.54 3ndj s VAL 51 N -1.17 1.37 0.34 0.00 1.01 -0.42 -1.29 120.40 120.24 3ndj s VAL 51 Ca -0.12 -1.19 -0.00 0.00 0.00 0.00 0.00 61.98 60.66 3ndj s VAL 51 Cb -0.05 -1.23 -0.01 0.00 0.00 0.00 0.00 36.38 35.09 3ndj s VAL 51 CO 0.04 0.01 0.43 -0.83 0.00 0.00 0.00 175.10 174.75 3ndj s GLY 52 N -1.37 1.70 -0.06 4.51 0.00 -0.27 -0.35 107.32 111.48 3ndj s GLY 52 Ca 0.03 -1.66 0.03 0.00 0.00 0.00 0.00 44.72 43.12 3ndj s GLY 52 CO 0.02 -1.12 -0.14 -1.60 0.00 0.00 0.00 173.10 170.26 3ndj s ARG 53 N -3.14 1.78 0.30 2.90 3.52 -0.21 -0.64 118.95 123.46 3ndj s ARG 53 Ca 0.33 -0.49 -0.29 0.00 -0.13 0.00 0.00 55.73 55.15 3ndj s ARG 53 Cb 0.00 -1.48 -0.10 0.00 -1.56 0.00 0.00 34.95 31.81 3ndj s ARG 53 CO 0.22 0.10 1.39 0.00 -0.81 0.00 0.00 175.30 176.20 3ndj h ASP 55 N 4.06 0.00 0.05 0.00 3.32 -0.47 -2.47 116.42 120.91 3ndj h ASP 55 Ca -0.48 0.00 -0.37 0.00 0.02 0.00 0.00 57.03 56.20 3ndj h ASP 55 Cb 1.22 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.73 3ndj h ASP 55 CO 0.71 0.16 -2.18 -1.20 -1.72 0.00 0.00 179.24 175.00 3ndj n SER 56 N -3.21 2.02 -0.06 6.45 7.64 -1.26 -4.66 113.62 120.54 3ndj n SER 56 Ca 0.02 0.10 0.01 0.00 1.01 0.00 0.00 58.87 60.01 3ndj n SER 56 Cb 0.48 -0.69 0.00 0.00 -1.01 0.00 0.00 64.21 62.99 3ndj n SER 56 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3ndj n GLU 58 N -0.38 -0.94 -1.70 0.00 1.02 -0.93 -4.42 120.64 113.30 3ndj n GLU 58 Ca 0.01 0.23 -0.42 0.00 -0.02 0.00 0.00 57.16 56.97 3ndj n GLU 58 Cb 0.06 -4.03 -0.03 0.00 -0.02 0.00 0.00 31.44 27.42 3ndj n GLU 58 CO 0.00 0.00 0.00 1.41 1.18 0.00 0.00 177.13 179.72 3ndj s MET 59 N -1.02 4.14 -0.10 3.49 1.75 -1.26 -4.61 119.30 121.70 3ndj s MET 59 Ca 0.00 2.58 -0.24 0.00 -1.25 0.00 0.00 55.69 56.78 3ndj s MET 59 Cb 0.00 -4.11 -0.03 0.00 2.84 0.00 0.00 34.83 33.53 3ndj s MET 59 CO 0.00 -0.94 0.72 0.08 -0.65 0.00 0.00 175.02 174.23 3ndj s VAL 60 N 4.31 5.01 0.09 10.11 1.01 -1.26 -1.04 120.40 138.63 3ndj s VAL 60 Ca 0.87 1.46 -0.13 0.00 0.00 0.00 0.00 61.98 64.18 3ndj s VAL 60 Cb -0.42 -4.05 0.02 0.00 0.00 0.00 0.00 36.38 31.92 3ndj s VAL 60 CO 0.40 0.19 0.30 0.00 0.00 0.00 0.00 175.10 175.99 3ndj s GLN 61 N 1.21 0.92 0.73 2.72 -2.07 0.19 -1.21 119.66 122.15 3ndj s GLN 61 Ca 0.37 -0.73 -0.12 0.00 -1.82 0.00 0.00 55.36 53.06 3ndj s GLN 61 Cb -0.17 0.39 0.04 0.00 -1.09 0.00 0.00 33.01 32.18 3ndj s GLN 61 CO 0.16 -0.32 1.10 -0.51 -1.32 0.00 0.00 175.29 174.40 3ndj s LEU 62 N -2.61 3.17 0.01 2.60 1.43 0.15 -1.12 118.68 122.32 3ndj s LEU 62 Ca 0.01 1.91 0.22 0.00 -1.03 0.00 0.00 54.13 55.24 3ndj s LEU 62 Cb 0.02 -4.53 -0.11 0.00 0.03 0.00 0.00 46.19 41.60 3ndj s LEU 62 CO -0.09 -1.91 0.89 0.35 0.23 0.00 0.00 176.35 175.82 3ndj n THR 63 N -3.10 0.06 -4.24 5.49 -2.24 -0.41 -4.82 114.28 105.02 3ndj n THR 63 Ca 0.10 -0.19 -0.25 0.00 -2.27 0.00 0.00 64.05 61.44 3ndj n THR 63 Cb 0.53 0.47 -0.17 0.00 -2.10 0.00 0.00 70.33 69.06 3ndj n THR 63 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3ndj s GLU 64 N -3.18 1.49 0.10 -0.78 2.12 -1.26 -4.89 118.70 112.30 3ndj s GLU 64 Ca 0.03 -0.30 -0.26 0.00 0.36 0.00 0.00 54.97 54.81 3ndj s GLU 64 Cb 0.15 -1.40 -0.06 0.00 0.26 0.00 0.00 34.13 33.08 3ndj s GLU 64 CO 0.84 -0.11 0.80 -1.21 -0.54 0.00 0.00 175.26 175.04 3ndj s GLU 65 N 1.15 4.56 -0.02 4.30 2.02 -1.26 -4.97 118.70 124.48 3ndj s GLU 65 Ca -0.06 1.16 -0.20 0.00 0.02 0.00 0.00 54.97 55.89 3ndj s GLU 65 Cb -0.14 -3.33 -0.05 0.00 0.10 0.00 0.00 34.13 30.71 3ndj s GLU 65 CO -0.02 0.37 0.57 0.08 0.02 0.00 0.00 175.26 176.29 3ndj s VAL 66 N -0.43 4.96 0.32 2.63 1.01 -1.26 -5.04 120.40 122.58 3ndj s VAL 66 Ca 0.39 1.19 -0.29 0.00 0.00 0.00 0.00 61.98 63.26 3ndj s VAL 66 Cb -0.22 -3.91 -0.11 0.00 0.00 0.00 0.00 36.38 32.14 3ndj s VAL 66 CO 0.25 0.41 1.58 -2.65 0.00 0.00 0.00 175.10 174.70 3ndj n PRO 67 N 2.81 2.74 -0.27 2.72 -0.02 -1.26 -4.86 135.00 136.86 3ndj n PRO 67 Ca -0.07 0.97 0.09 0.00 -2.02 0.00 0.00 63.50 62.47 3ndj n PRO 67 Cb 0.51 -2.75 0.22 0.00 -0.02 0.00 0.00 33.50 31.47 3ndj n PRO 67 CO 0.00 0.00 0.00 0.07 1.98 0.00 0.00 175.50 177.55 3ndj h ARG 68 N 4.35 0.19 0.00 -0.52 0.11 -1.96 -0.81 114.38 115.74 3ndj h ARG 68 Ca -0.48 -0.01 0.00 0.00 0.10 0.00 0.00 59.98 59.59 3ndj h ARG 68 Cb 1.23 -0.04 0.00 0.00 1.11 0.00 0.00 29.97 32.26 3ndj h ARG 68 CO 0.76 0.13 0.00 -0.25 0.10 0.00 0.00 179.97 180.70 3ndj n ASP 69 N -5.24 0.27 0.10 0.08 8.00 -1.26 -1.32 116.55 117.19 3ndj n ASP 69 Ca 0.17 0.56 0.03 0.00 0.71 0.00 0.00 54.79 56.26 3ndj n ASP 69 Cb 0.56 -0.62 -0.01 0.00 -0.02 0.00 0.00 41.12 41.04 3ndj n ASP 69 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 3ndj h LEU 70 N 0.00 0.00 0.07 0.64 4.07 -1.50 -3.36 115.31 115.23 3ndj h LEU 70 Ca 0.00 0.00 -0.35 0.00 0.08 0.00 0.00 57.88 57.61 3ndj h LEU 70 Cb 0.33 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 42.04 3ndj h LEU 70 CO 0.00 0.46 -1.98 0.23 -1.08 0.00 0.00 178.44 176.07 3ndj n MET 71 N -3.06 0.71 -3.98 1.13 2.81 -0.63 -4.92 117.12 109.17 3ndj n MET 71 Ca -0.02 0.25 -0.29 0.00 -1.81 0.00 0.00 57.70 55.83 3ndj n MET 71 Cb 0.74 -1.71 -0.17 0.00 -0.71 0.00 0.00 33.22 31.38 3ndj n MET 71 CO 0.00 0.00 0.00 -0.06 1.51 0.00 0.00 175.97 177.42 3ndj s PHE 72 N -2.56 1.95 0.00 2.03 0.08 -0.43 -4.79 117.98 114.25 3ndj s PHE 72 Ca -0.18 -1.07 0.00 0.00 0.12 0.00 0.00 56.93 55.81 3ndj s PHE 72 Cb 0.07 -1.48 0.00 0.00 -0.57 0.00 0.00 43.02 41.05 3ndj s PHE 72 CO 0.77 -0.62 0.00 -2.39 -0.10 0.00 0.00 175.22 172.88 3ndj n HIS 73 N 4.83 -0.21 0.04 0.36 1.44 -1.26 -4.37 115.22 116.05 3ndj n HIS 73 Ca -0.15 0.00 0.03 0.00 -2.01 0.00 0.00 57.72 55.58 3ndj n HIS 73 Cb 0.50 0.00 0.39 0.00 0.12 0.00 0.00 29.99 31.00 3ndj n HIS 73 CO 0.00 0.00 0.00 0.93 -2.81 0.00 0.00 176.34 174.46 3ndj h GLU 74 N 0.00 0.43 -0.26 -1.40 3.07 -1.91 -1.95 114.58 112.56 3ndj h GLU 74 Ca 0.00 -0.06 0.00 0.00 -0.50 0.00 0.00 59.36 58.80 3ndj h GLU 74 Cb 0.00 -0.08 0.00 0.00 -0.84 0.00 0.00 28.75 27.83 3ndj h GLU 74 CO 0.00 0.40 0.00 1.33 -1.40 0.00 0.00 179.01 179.34 3ndj n VAL 75 N -4.38 1.83 -1.65 3.13 0.24 -1.26 -2.20 118.33 114.05 3ndj n VAL 75 Ca 0.01 -1.62 -0.47 0.00 -2.04 0.00 0.00 64.34 60.22 3ndj n VAL 75 Cb 0.16 -0.00 -0.04 0.00 -1.47 0.00 0.00 33.84 32.48 3ndj n VAL 75 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3ndj n TYR 76 N -0.28 2.03 0.96 6.34 4.19 -0.73 -4.88 117.16 124.79 3ndj n TYR 76 Ca 0.17 0.40 0.11 0.00 3.31 0.00 0.00 57.90 61.89 3ndj n TYR 76 Cb 0.71 -2.47 0.02 0.00 0.49 0.00 0.00 39.34 38.10 3ndj n TYR 76 CO 0.00 0.00 0.00 -0.35 0.91 0.00 0.00 176.86 177.42 3ndj n PRO 77 N 2.89 1.52 -2.63 2.98 -0.04 -1.26 -4.67 135.00 133.79 3ndj n PRO 77 Ca 0.16 -1.21 -0.42 0.00 -0.04 0.00 0.00 63.50 62.00 3ndj n PRO 77 Cb 0.27 -1.45 -0.03 0.00 -0.04 0.00 0.00 33.50 32.25 3ndj n PRO 77 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 3ndj s TYR 78 N -2.27 3.62 -0.30 0.54 5.04 -1.26 -4.87 117.35 117.84 3ndj s TYR 78 Ca 0.20 1.60 -0.00 0.00 -2.44 0.00 0.00 57.07 56.43 3ndj s TYR 78 Cb 0.18 -3.20 0.06 0.00 0.35 0.00 0.00 41.96 39.35 3ndj s TYR 78 CO 0.48 -0.33 -0.02 -1.01 -1.34 0.00 0.00 175.55 173.33 3ndj s HIS 79 N 0.87 3.31 0.32 4.97 3.76 -1.26 -4.87 115.29 122.39 3ndj s HIS 79 Ca 0.53 -2.08 0.08 0.00 -0.15 0.00 0.00 55.06 53.44 3ndj s HIS 79 Cb -0.24 -2.16 0.81 0.00 1.11 0.00 0.00 32.58 32.11 3ndj s HIS 79 CO 0.29 -0.84 1.78 0.77 -0.85 0.00 0.00 174.74 175.88 3ndj h SER 80 N 7.92 0.72 0.00 1.40 0.02 -1.95 -2.15 113.55 119.50 3ndj h SER 80 Ca -0.19 0.10 0.00 0.00 -0.84 0.00 0.00 61.79 60.85 3ndj h SER 80 Cb 1.05 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.56 3ndj h SER 80 CO 0.52 0.23 0.00 -1.20 -1.14 0.00 0.00 176.83 175.24 3ndj n SER 81 N -4.75 0.00 0.00 3.07 7.64 -1.26 -3.22 113.62 115.10 3ndj n SER 81 Ca 0.24 -1.74 0.09 0.00 1.01 0.00 0.00 58.87 58.47 3ndj n SER 81 Cb 0.63 0.00 0.47 0.00 -1.01 0.00 0.00 64.21 64.29 3ndj n SER 81 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3ndj n GLY 82 N 0.57 -0.92 3.29 0.23 0.00 -0.81 -4.64 105.19 102.90 3ndj n GLY 82 Ca 0.05 -0.09 -0.33 0.00 0.00 0.00 0.00 46.02 45.65 3ndj n GLY 82 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3ndj s SER 83 N -2.60 3.64 0.08 1.61 0.15 -1.20 -5.03 113.70 110.36 3ndj s SER 83 Ca 0.17 -0.45 -0.15 0.00 0.70 0.00 0.00 55.95 56.22 3ndj s SER 83 Cb 0.13 -1.54 -0.15 0.00 -1.71 0.00 0.00 66.02 62.75 3ndj s SER 83 CO 0.29 0.13 1.31 0.77 1.20 0.00 0.00 173.24 176.93 3ndj h SER 84 N 6.99 0.78 -0.66 5.45 4.64 -1.92 -1.28 113.55 127.54 3ndj h SER 84 Ca -0.27 -0.59 0.14 0.00 -0.47 0.00 0.00 61.79 60.59 3ndj h SER 84 Cb 1.21 -0.23 -0.10 0.00 -0.31 0.00 0.00 62.40 62.97 3ndj h SER 84 CO 0.54 1.24 0.08 0.58 -0.87 0.00 0.00 176.83 178.41 3ndj h VAL 85 N 0.36 0.52 0.00 0.95 2.07 -1.98 -1.55 116.25 116.62 3ndj h VAL 85 Ca -0.02 -0.07 -0.16 0.00 0.82 0.00 0.00 66.70 67.27 3ndj h VAL 85 Cb 1.17 0.31 -0.02 0.00 -1.52 0.00 0.00 31.29 31.22 3ndj h VAL 85 CO 0.12 0.04 -0.78 0.24 0.02 0.00 0.00 177.57 177.20 3ndj h MET 86 N 0.19 0.00 -0.57 1.57 2.07 -1.88 -0.99 114.93 115.34 3ndj h MET 86 Ca 0.36 0.00 0.01 0.00 -2.07 0.00 0.00 59.70 58.00 3ndj h MET 86 Cb 0.59 0.00 -0.03 0.00 -1.87 0.00 0.00 31.60 30.29 3ndj h MET 86 CO -0.51 0.78 0.36 0.00 1.07 0.00 0.00 176.91 178.62 3ndj h ARG 87 N 0.00 0.71 -0.54 1.72 3.08 -0.78 -0.98 114.38 117.59 3ndj h ARG 87 Ca -0.01 -0.04 -0.10 0.00 0.07 0.00 0.00 59.98 59.90 3ndj h ARG 87 Cb 1.43 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 31.30 3ndj h ARG 87 CO 0.10 0.47 -0.07 1.05 -1.07 0.00 0.00 179.97 180.46 3ndj h GLU 88 N 0.74 0.98 -0.30 0.04 4.11 -1.16 -1.76 114.58 117.22 3ndj h GLU 88 Ca 0.21 -0.33 -0.04 0.00 0.07 0.00 0.00 59.36 59.28 3ndj h GLU 88 Cb -0.05 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.11 3ndj h GLU 88 CO -0.06 1.00 0.05 1.25 0.07 0.00 0.00 179.01 181.32 3ndj h HIS 89 N 0.88 0.53 0.04 2.06 2.76 -0.69 -0.42 115.15 120.31 3ndj h HIS 89 Ca 0.15 -0.07 -0.23 0.00 -2.20 0.00 0.00 60.37 58.02 3ndj h HIS 89 Cb 0.61 -0.15 -0.02 0.00 1.55 0.00 0.00 27.41 29.40 3ndj h HIS 89 CO 0.04 0.59 -1.05 0.74 -1.30 0.00 0.00 177.93 176.94 3ndj h PHE 90 N 0.32 0.18 -0.65 5.26 0.04 -1.07 -2.39 116.94 118.64 3ndj h PHE 90 Ca 0.09 -0.13 -0.04 0.00 2.80 0.00 0.00 57.97 60.69 3ndj h PHE 90 Cb 0.34 -0.01 -0.03 0.00 2.20 0.00 0.00 35.95 38.46 3ndj h PHE 90 CO 0.02 1.08 0.25 0.00 -0.60 0.00 0.00 178.31 179.06 3ndj h ALA 91 N 0.88 0.85 -0.54 2.45 0.00 -1.20 -0.13 119.26 121.58 3ndj h ALA 91 Ca -0.05 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.60 3ndj h ALA 91 Cb 1.79 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 19.30 3ndj h ALA 91 CO 0.15 0.48 0.03 1.98 0.00 0.00 0.00 179.25 181.89 3ndj h MET 92 N 0.93 0.89 -0.49 0.00 1.85 -0.95 -1.64 114.93 115.52 3ndj h MET 92 Ca 0.22 -0.24 -0.01 0.00 -0.61 0.00 0.00 59.70 59.06 3ndj h MET 92 Cb 0.22 -0.10 -0.02 0.00 0.43 0.00 0.00 31.60 32.12 3ndj h MET 92 CO -0.02 0.87 0.26 1.25 -0.40 0.00 0.00 176.91 178.87 3ndj h LEU 93 N 0.83 0.62 -0.55 3.39 7.12 -1.22 -1.03 115.31 124.47 3ndj h LEU 93 Ca 0.16 -0.10 0.00 0.00 0.13 0.00 0.00 57.88 58.07 3ndj h LEU 93 Cb 0.45 -0.16 -0.03 0.00 -0.53 0.00 0.00 40.66 40.40 3ndj h LEU 93 CO 0.02 0.54 0.35 0.00 -0.13 0.00 0.00 178.44 179.21 3ndj h ALA 94 N 1.10 0.70 -0.81 1.25 0.00 -0.79 -1.10 119.26 119.62 3ndj h ALA 94 Ca 0.17 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 3ndj h ALA 94 Cb 0.06 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.60 3ndj h ALA 94 CO -0.03 0.17 0.34 0.00 0.00 0.00 0.00 179.25 179.73 3ndj h ARG 95 N 0.74 1.20 -0.49 0.00 3.08 -1.13 -0.14 114.38 117.66 3ndj h ARG 95 Ca 0.20 -0.21 0.02 0.00 0.07 0.00 0.00 59.98 60.06 3ndj h ARG 95 Cb -0.05 -0.20 -0.03 0.00 0.08 0.00 0.00 29.97 29.78 3ndj h ARG 95 CO -0.04 0.96 0.30 -0.44 -1.07 0.00 0.00 179.97 179.68 3ndj h ASP 96 N 1.17 0.50 -0.14 7.04 3.32 -0.57 -1.08 116.42 126.66 3ndj h ASP 96 Ca 0.27 -0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.27 3ndj h ASP 96 Cb 0.20 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.62 3ndj h ASP 96 CO -0.02 0.36 -0.05 -0.26 -1.72 0.00 0.00 179.24 177.54 3ndj h PHE 97 N 0.61 0.45 -0.30 4.55 0.04 -0.82 -2.14 116.94 119.33 3ndj h PHE 97 Ca 0.19 -0.05 -0.05 0.00 2.80 0.00 0.00 57.97 60.86 3ndj h PHE 97 Cb -0.02 -0.13 -0.02 0.00 2.20 0.00 0.00 35.95 37.98 3ndj h PHE 97 CO -0.06 0.49 -0.05 -0.07 -0.60 0.00 0.00 178.31 178.03 3ndj h LEU 98 N 0.41 0.45 0.00 1.54 3.38 -0.39 -0.57 115.31 120.13 3ndj h LEU 98 Ca 0.09 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3ndj h LEU 98 Cb 0.36 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.99 3ndj h LEU 98 CO 0.02 0.55 -0.34 0.00 0.09 0.00 0.00 178.44 178.76 3ndj n ALA 99 N -2.48 3.04 -0.39 1.53 0.00 -0.47 -4.23 120.51 117.51 3ndj n ALA 99 Ca 0.01 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.20 3ndj n ALA 99 Cb 0.27 -1.25 0.00 0.00 0.00 0.00 0.00 19.45 18.47 3ndj n ALA 99 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3ndj n THR 100 N -1.62 0.00 0.55 0.00 -2.24 -0.84 -4.90 114.28 105.23 3ndj n THR 100 Ca 0.06 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.96 3ndj n THR 100 Cb 0.36 -0.70 0.29 0.00 -2.10 0.00 0.00 70.33 68.17 3ndj n THR 100 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 3ndj h GLU 101 N 0.00 0.00 -0.72 -0.78 4.39 -1.54 -3.34 114.58 112.59 3ndj h GLU 101 Ca 0.00 0.00 -0.51 0.00 0.34 0.00 0.00 59.36 59.19 3ndj h GLU 101 Cb 0.00 0.00 -0.35 0.00 -0.10 0.00 0.00 28.75 28.30 3ndj h GLU 101 CO 0.00 0.00 -0.42 1.28 -1.16 0.00 0.00 179.01 178.71 3ndj n LEU 102 N -2.30 5.25 -4.18 1.33 4.77 -0.31 -4.79 117.00 116.78 3ndj n LEU 102 Ca 0.04 -4.53 -0.40 0.00 -0.03 0.00 0.00 56.01 51.09 3ndj n LEU 102 Cb 0.45 -0.50 -0.06 0.00 -2.33 0.00 0.00 43.42 40.98 3ndj n LEU 102 CO 0.33 1.88 0.30 0.42 -1.33 0.00 0.00 177.39 178.99 3ndj s THR 103 N -4.45 4.63 0.24 -5.08 -4.23 -1.26 -4.77 115.64 100.72 3ndj s THR 103 Ca 0.52 -3.14 0.04 0.00 -1.18 0.00 0.00 61.69 57.94 3ndj s THR 103 Cb 0.43 -3.90 -0.02 0.00 1.34 0.00 0.00 72.50 70.35 3ndj s THR 103 CO 0.02 -1.01 0.23 0.61 -0.54 0.00 0.00 174.62 173.93 3ndj n GLY 104 N 3.20 3.08 0.20 3.99 0.00 -1.26 -5.03 105.19 109.37 3ndj n GLY 104 Ca 0.15 -1.77 0.01 0.00 0.00 0.00 0.00 46.02 44.40 3ndj n GLY 104 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3ndj h PRO 105 N 0.00 0.14 -0.65 1.61 0.13 -2.02 -3.37 132.00 127.83 3ndj h PRO 105 Ca -0.17 -0.05 -0.33 0.00 -0.87 0.00 0.00 66.00 64.58 3ndj h PRO 105 Cb 0.85 -0.01 -0.22 0.00 0.13 0.00 0.00 31.00 31.75 3ndj h PRO 105 CO 0.25 0.47 -0.69 -3.47 -0.23 0.00 0.00 178.00 174.32 3ndj n ASP 106 N -4.10 -1.78 -4.64 1.44 4.64 -1.26 -5.15 116.55 105.70 3ndj n ASP 106 Ca -0.01 -3.19 -0.29 0.00 -1.38 0.00 0.00 54.79 49.91 3ndj n ASP 106 Cb 0.41 1.05 0.18 0.00 -1.04 0.00 0.00 41.12 41.72 3ndj n ASP 106 CO 0.00 0.00 0.00 -2.16 -0.82 0.00 0.00 177.20 174.22 3ndj s PRO 107 N -0.06 0.49 -0.18 -0.67 0.04 -1.26 -5.01 135.00 128.34 3ndj s PRO 107 Ca 0.32 0.92 -0.09 0.00 0.04 0.00 0.00 61.00 62.18 3ndj s PRO 107 Cb 0.23 -1.71 0.07 0.00 0.04 0.00 0.00 34.50 33.13 3ndj s PRO 107 CO -0.17 -2.80 0.43 0.12 0.04 0.00 0.00 177.00 174.62 3ndj s PHE 108 N -2.75 -0.67 -0.09 0.56 5.99 -1.26 -3.95 117.98 115.80 3ndj s PHE 108 Ca 0.66 1.39 0.04 0.00 0.00 0.00 0.00 56.93 59.01 3ndj s PHE 108 Cb -0.21 0.30 -0.00 0.00 0.00 0.00 0.00 43.02 43.11 3ndj s PHE 108 CO 0.59 -0.38 -0.23 -1.50 -0.00 0.00 0.00 175.22 173.70 3ndj s ILE 109 N 1.66 2.00 -0.16 3.12 2.07 -0.99 -0.41 121.20 128.49 3ndj s ILE 109 Ca -0.08 -0.99 -0.03 0.00 -1.41 0.00 0.00 60.65 58.14 3ndj s ILE 109 Cb -0.09 -1.73 -0.02 0.00 0.13 0.00 0.00 42.46 40.75 3ndj s ILE 109 CO -0.13 0.55 -0.05 -0.69 -1.91 0.00 0.00 174.94 172.71 3ndj s VAL 110 N 0.31 3.74 -0.14 4.00 1.01 -0.25 -1.19 120.40 127.88 3ndj s VAL 110 Ca -0.17 -0.41 -0.03 0.00 0.00 0.00 0.00 61.98 61.37 3ndj s VAL 110 Cb -0.17 -2.64 -0.03 0.00 0.00 0.00 0.00 36.38 33.54 3ndj s VAL 110 CO 0.08 0.49 -0.04 -0.70 0.00 0.00 0.00 175.10 174.93 3ndj s GLU 111 N 0.50 3.52 -0.28 2.72 2.12 -0.27 -1.23 118.70 125.79 3ndj s GLU 111 Ca -0.04 -0.51 -0.19 0.00 0.36 0.00 0.00 54.97 54.59 3ndj s GLU 111 Cb -0.14 -2.87 -0.02 0.00 0.26 0.00 0.00 34.13 31.36 3ndj s GLU 111 CO 0.03 0.33 0.55 0.42 -0.54 0.00 0.00 175.26 176.05 3ndj s ILE 112 N 0.13 5.03 -0.00 -3.70 1.01 -0.07 -0.60 121.20 122.99 3ndj s ILE 112 Ca -0.01 0.84 -0.00 0.00 0.00 0.00 0.00 60.65 61.47 3ndj s ILE 112 Cb -0.14 -3.89 -0.00 0.00 0.01 0.00 0.00 42.46 38.44 3ndj s ILE 112 CO 0.03 -0.01 0.00 0.61 0.00 0.00 0.00 174.94 175.57 3ndj n GLY 113 N 4.43 0.48 0.16 6.18 0.00 0.20 -4.23 105.19 112.41 3ndj n GLY 113 Ca -0.03 -0.46 0.13 0.00 0.00 0.00 0.00 46.02 45.65 3ndj n GLY 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ndj n ASN 115 N -2.39 0.00 -0.01 0.00 2.85 -1.26 -1.40 115.26 113.06 3ndj n ASN 115 Ca 0.01 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.48 3ndj n ASN 115 Cb 0.22 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.24 3ndj n ASN 115 CO 0.00 0.00 0.00 -0.90 -2.11 0.00 0.00 177.26 174.25 3ndj n ASP 116 N 1.64 0.01 0.00 1.20 5.68 -1.26 -4.20 116.55 119.62 3ndj n ASP 116 Ca 0.00 -1.78 0.00 0.00 -0.50 0.00 0.00 54.79 52.51 3ndj n ASP 116 Cb 0.00 -0.00 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 3ndj n ASP 116 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3ndj n GLY 117 N 0.39 0.86 0.42 6.12 0.00 -0.49 -3.42 105.19 109.06 3ndj n GLY 117 Ca 0.00 -0.07 0.25 0.00 0.00 0.00 0.00 46.02 46.20 3ndj n GLY 117 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3ndj h ILE 118 N 0.00 0.47 0.01 -0.61 2.10 -1.88 -1.05 117.51 116.56 3ndj h ILE 118 Ca 0.00 -0.12 -0.40 0.00 1.08 0.00 0.00 64.86 65.42 3ndj h ILE 118 Cb 0.00 0.10 -0.06 0.00 -1.09 0.00 0.00 36.82 35.77 3ndj h ILE 118 CO 0.00 0.06 -2.24 0.80 -1.08 0.00 0.00 178.15 175.69 3ndj n MET 119 N -4.63 0.61 0.25 2.19 1.56 -1.26 -4.39 117.12 111.45 3ndj n MET 119 Ca 0.27 0.30 0.11 0.00 -0.27 0.00 0.00 57.70 58.10 3ndj n MET 119 Cb 0.95 -1.57 0.64 0.00 2.15 0.00 0.00 33.22 35.39 3ndj n MET 119 CO 0.00 0.00 0.00 -0.07 -0.73 0.00 0.00 175.97 175.17 3ndj h LEU 120 N -0.69 0.00 -0.93 -0.89 3.38 -1.83 -2.33 115.31 112.03 3ndj h LEU 120 Ca -0.59 0.00 0.18 0.00 0.09 0.00 0.00 57.88 57.56 3ndj h LEU 120 Cb 1.66 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 42.30 3ndj h LEU 120 CO -0.27 0.16 0.51 0.08 0.09 0.00 0.00 178.44 179.01 3ndj h ARG 121 N 0.00 0.62 0.00 1.13 0.11 -1.45 0.13 114.38 114.93 3ndj h ARG 121 Ca -0.00 -0.04 -0.07 0.00 0.10 0.00 0.00 59.98 59.97 3ndj h ARG 121 Cb 0.42 -0.14 -0.01 0.00 1.11 0.00 0.00 29.97 31.35 3ndj h ARG 121 CO 0.02 0.41 -0.35 1.15 0.10 0.00 0.00 179.97 181.30 3ndj h THR 122 N 0.64 1.21 0.13 0.08 2.02 -1.69 -0.31 112.91 114.99 3ndj h THR 122 Ca 0.53 -1.23 -0.25 0.00 0.77 0.00 0.00 66.41 66.24 3ndj h THR 122 Cb 0.85 1.67 0.03 0.00 -1.74 0.00 0.00 68.15 68.95 3ndj h THR 122 CO -0.40 0.35 -1.05 0.40 0.37 0.00 0.00 175.52 175.18 3ndj h ILE 123 N 0.00 1.38 -0.86 3.11 1.08 -1.02 -2.65 117.51 118.55 3ndj h ILE 123 Ca -0.00 -2.46 -0.02 0.00 -0.39 0.00 0.00 64.86 61.98 3ndj h ILE 123 Cb 0.64 2.90 -0.04 0.00 -3.07 0.00 0.00 36.82 37.25 3ndj h ILE 123 CO 0.05 0.73 0.44 -0.61 -0.69 0.00 0.00 178.15 178.06 3ndj h GLN 124 N -0.01 1.21 0.00 2.37 -0.00 -0.49 -1.23 115.11 116.97 3ndj h GLN 124 Ca -0.17 -0.16 0.00 0.00 -0.00 0.00 0.00 58.65 58.32 3ndj h GLN 124 Cb 1.78 -0.23 0.00 0.00 0.00 0.00 0.00 27.48 29.03 3ndj h GLN 124 CO 0.20 0.91 0.00 0.39 0.00 0.00 0.00 178.83 180.33 3ndj n GLU 125 N -4.34 0.21 0.00 1.69 1.02 -0.16 -1.42 120.64 117.63 3ndj n GLU 125 Ca 0.09 0.38 0.14 0.00 -0.02 0.00 0.00 57.16 57.74 3ndj n GLU 125 Cb 0.12 -1.86 0.50 0.00 -0.02 0.00 0.00 31.44 30.18 3ndj n GLU 125 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3ndj n ALA 126 N -1.77 2.79 -1.02 0.62 0.00 -0.49 -4.95 120.51 115.68 3ndj n ALA 126 Ca 0.03 -0.40 -0.01 0.00 0.00 0.00 0.00 53.44 53.06 3ndj n ALA 126 Cb 0.27 -1.19 -0.00 0.00 0.00 0.00 0.00 19.45 18.52 3ndj n ALA 126 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ndj n GLY 127 N 1.24 0.49 3.81 0.00 0.00 -0.51 -5.01 105.19 105.20 3ndj n GLY 127 Ca 0.16 -0.49 -0.38 0.00 0.00 0.00 0.00 46.02 45.30 3ndj n GLY 127 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ndj s VAL 128 N -1.99 4.90 0.33 1.61 1.01 -1.09 -5.05 120.40 120.12 3ndj s VAL 128 Ca 0.00 1.04 -0.29 0.00 0.00 0.00 0.00 61.98 62.73 3ndj s VAL 128 Cb 0.00 -3.81 -0.11 0.00 0.00 0.00 0.00 36.38 32.46 3ndj s VAL 128 CO 0.00 0.55 1.42 -0.13 0.00 0.00 0.00 175.10 176.94 3ndj s ARG 129 N -0.94 4.23 0.24 2.72 0.52 -1.25 -4.57 118.95 119.89 3ndj s ARG 129 Ca 0.27 2.39 -0.19 0.00 -0.52 0.00 0.00 55.73 57.68 3ndj s ARG 129 Cb -0.18 -3.04 0.02 0.00 0.52 0.00 0.00 34.95 32.28 3ndj s ARG 129 CO 0.16 -0.39 0.63 -3.38 0.02 0.00 0.00 175.30 172.33 3ndj s HIS 130 N -0.84 -0.13 -0.24 -0.53 -3.43 -1.26 -2.34 115.29 106.52 3ndj s HIS 130 Ca 0.53 -0.27 -0.10 0.00 -0.80 0.00 0.00 55.06 54.43 3ndj s HIS 130 Cb -0.43 0.55 0.10 0.00 -1.43 0.00 0.00 32.58 31.36 3ndj s HIS 130 CO 0.55 -1.09 0.55 -1.17 -2.00 0.00 0.00 174.74 171.57 3ndj s LEU 131 N -2.91 -0.78 -0.08 5.38 2.96 -0.34 -4.70 118.68 118.21 3ndj s LEU 131 Ca 0.11 1.28 -0.16 0.00 -0.22 0.00 0.00 54.13 55.14 3ndj s LEU 131 Cb -0.04 1.88 -0.05 0.00 0.50 0.00 0.00 46.19 48.48 3ndj s LEU 131 CO 0.03 -0.22 0.41 -0.83 -1.32 0.00 0.00 176.35 174.42 3ndj s GLY 132 N 2.30 2.39 -0.23 7.98 0.00 -0.14 -1.11 107.32 118.51 3ndj s GLY 132 Ca -0.06 -0.26 -0.16 0.00 0.00 0.00 0.00 44.72 44.24 3ndj s GLY 132 CO -0.16 0.46 0.42 -1.36 0.00 0.00 0.00 173.10 172.46 3ndj s PHE 133 N -0.05 3.31 -0.31 1.90 0.08 0.23 -0.12 117.98 123.01 3ndj s PHE 133 Ca 0.23 0.57 -0.00 0.00 0.12 0.00 0.00 56.93 57.84 3ndj s PHE 133 Cb -0.15 -2.59 0.14 0.00 -0.57 0.00 0.00 43.02 39.85 3ndj s PHE 133 CO 0.10 -0.14 0.28 -2.00 -0.10 0.00 0.00 175.22 173.36 3ndj s GLU 134 N 1.77 0.39 0.00 0.44 2.56 -0.45 -0.63 118.70 122.78 3ndj s GLU 134 Ca 0.18 -0.44 0.18 0.00 0.00 0.00 0.00 54.97 54.90 3ndj s GLU 134 Cb -0.15 -0.79 0.80 0.00 2.00 0.00 0.00 34.13 35.99 3ndj s GLU 134 CO 0.09 -1.08 1.59 -0.35 -0.56 0.00 0.00 175.26 174.95 3ndj n PRO 135 N 4.99 0.02 -3.28 4.30 -0.04 -1.19 -3.87 135.00 135.92 3ndj n PRO 135 Ca 0.01 0.18 -0.44 0.00 -0.04 0.00 0.00 63.50 63.21 3ndj n PRO 135 Cb 0.45 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.33 3ndj n PRO 135 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 3ndj s SER 136 N -2.97 6.19 0.32 3.54 0.01 -1.26 -4.38 113.70 115.15 3ndj s SER 136 Ca 0.10 -0.99 0.15 0.00 1.31 0.00 0.00 55.95 56.52 3ndj s SER 136 Cb 0.12 -2.23 0.44 0.00 0.21 0.00 0.00 66.02 64.56 3ndj s SER 136 CO 0.33 -0.72 1.62 0.77 0.41 0.00 0.00 173.24 175.66 3ndj h SER 137 N 8.84 0.00 -0.14 2.44 4.64 -1.74 -1.84 113.55 125.75 3ndj h SER 137 Ca -0.27 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.03 3ndj h SER 137 Cb 1.10 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.19 3ndj h SER 137 CO 0.89 0.50 0.03 1.23 -0.87 0.00 0.00 176.83 178.60 3ndj h GLY 138 N 2.33 0.24 1.92 -0.77 0.00 -1.68 -0.78 103.07 104.32 3ndj h GLY 138 Ca -0.00 -0.15 -0.15 0.00 0.00 0.00 0.00 47.33 47.02 3ndj h GLY 138 CO 0.06 0.14 -0.70 -0.39 0.00 0.00 0.00 176.54 175.65 3ndj h VAL 139 N 0.02 1.48 -0.77 4.60 -1.51 -1.79 -2.88 116.25 115.40 3ndj h VAL 139 Ca 0.04 -2.34 0.13 0.00 -1.23 0.00 0.00 66.70 63.31 3ndj h VAL 139 Cb 0.27 2.25 -0.09 0.00 -2.13 0.00 0.00 31.29 31.59 3ndj h VAL 139 CO 0.00 0.67 0.34 0.00 -1.23 0.00 0.00 177.57 177.36 3ndj h ALA 140 N 1.23 1.10 -0.13 5.19 0.00 -1.12 -1.06 119.26 124.47 3ndj h ALA 140 Ca -0.01 0.10 -0.09 0.00 0.00 0.00 0.00 54.91 54.91 3ndj h ALA 140 Cb 1.25 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 3ndj h ALA 140 CO 0.10 -0.15 -0.31 0.00 0.00 0.00 0.00 179.25 178.88 3ndj h ALA 141 N 1.53 1.23 -0.34 0.00 0.00 -0.93 0.14 119.26 120.89 3ndj h ALA 141 Ca 0.42 -0.34 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 3ndj h ALA 141 Cb 0.59 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 3ndj h ALA 141 CO -0.37 0.51 0.02 0.87 0.00 0.00 0.00 179.25 180.28 3ndj h LYS 142 N 0.22 0.52 -0.11 0.00 1.79 -1.09 -0.94 116.57 116.96 3ndj h LYS 142 Ca 0.03 -0.10 -0.17 0.00 -2.18 0.00 0.00 60.65 58.23 3ndj h LYS 142 Cb 0.67 -0.08 0.01 0.00 -1.58 0.00 0.00 32.23 31.24 3ndj h LYS 142 CO 0.05 0.53 -0.59 0.00 -1.08 0.00 0.00 179.45 178.36 3ndj h ALA 143 N 1.53 0.22 -0.51 3.86 0.00 -0.81 -3.14 119.26 120.41 3ndj h ALA 143 Ca 0.11 -0.54 0.05 0.00 0.00 0.00 0.00 54.91 54.54 3ndj h ALA 143 Cb 0.29 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 3ndj h ALA 143 CO 0.01 0.47 0.34 0.00 0.00 0.00 0.00 179.25 180.07 3ndj h ARG 144 N 0.23 0.48 0.00 0.00 3.08 -0.67 -0.71 114.38 116.78 3ndj h ARG 144 Ca -0.04 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 59.97 3ndj h ARG 144 Cb 1.23 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 31.17 3ndj h ARG 144 CO 0.12 0.31 -0.04 0.93 -1.07 0.00 0.00 179.97 180.23 3ndj h GLU 145 N 0.49 0.00 -0.13 0.04 5.08 -1.13 -1.35 114.58 117.58 3ndj h GLU 145 Ca 0.22 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.58 3ndj h GLU 145 Cb 0.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.50 3ndj h GLU 145 CO -0.06 0.04 0.00 1.63 -1.00 0.00 0.00 179.01 179.62 3ndj n LYS 146 N -3.51 1.48 -0.87 2.33 5.02 -0.29 -4.90 118.16 117.41 3ndj n LYS 146 Ca -0.02 -0.72 0.00 0.00 -2.02 0.00 0.00 58.31 55.54 3ndj n LYS 146 Cb 0.14 -1.32 0.00 0.00 -0.02 0.00 0.00 35.03 33.84 3ndj n LYS 146 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3ndj n GLY 147 N 0.97 0.59 3.76 0.72 0.00 -0.51 -4.99 105.19 105.74 3ndj n GLY 147 Ca 0.14 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.76 3ndj n GLY 147 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ndj s ILE 148 N -2.14 3.72 -0.19 -0.61 1.01 -1.10 -5.01 121.20 116.89 3ndj s ILE 148 Ca 0.00 1.71 -0.27 0.00 0.00 0.00 0.00 60.65 62.09 3ndj s ILE 148 Cb 0.00 -4.08 -0.00 0.00 0.01 0.00 0.00 42.46 38.39 3ndj s ILE 148 CO 0.00 0.39 0.94 -0.60 0.00 0.00 0.00 174.94 175.67 3ndj s ARG 149 N -1.41 4.29 -0.00 2.79 3.52 -1.26 -4.14 118.95 122.75 3ndj s ARG 149 Ca 0.44 1.20 0.01 0.00 -0.13 0.00 0.00 55.73 57.25 3ndj s ARG 149 Cb -0.29 -3.60 -0.00 0.00 -1.56 0.00 0.00 34.95 29.50 3ndj s ARG 149 CO 0.37 -0.45 -0.03 0.08 -0.81 0.00 0.00 175.30 174.45 3ndj s VAL 150 N 2.57 0.26 -0.17 7.11 1.01 -1.26 -0.97 120.40 128.95 3ndj s VAL 150 Ca 0.42 -0.18 -0.02 0.00 0.00 0.00 0.00 61.98 62.20 3ndj s VAL 150 Cb -0.16 -0.23 -0.01 0.00 0.00 0.00 0.00 36.38 35.97 3ndj s VAL 150 CO 0.11 0.05 -0.08 -0.60 0.00 0.00 0.00 175.10 174.58 3ndj s ARG 151 N -0.14 3.43 -1.15 2.72 3.52 0.82 -4.94 118.95 123.21 3ndj s ARG 151 Ca 0.01 -0.63 -0.16 0.00 -0.13 0.00 0.00 55.73 54.81 3ndj s ARG 151 Cb -0.02 -2.84 0.13 0.00 -1.56 0.00 0.00 34.95 30.66 3ndj s ARG 151 CO -0.00 0.04 1.44 0.95 -0.81 0.00 0.00 175.30 176.91 3ndj s THR 152 N 0.85 4.68 0.03 4.11 -4.23 -1.26 -1.34 115.64 118.48 3ndj s THR 152 Ca -0.02 -2.11 -0.22 0.00 -1.18 0.00 0.00 61.69 58.16 3ndj s THR 152 Cb -0.15 -4.96 0.05 0.00 1.34 0.00 0.00 72.50 68.78 3ndj s THR 152 CO 0.01 -1.71 0.50 -1.81 -0.54 0.00 0.00 174.62 171.07 3ndj s ASP 153 N 3.47 -0.42 0.25 3.99 -0.00 -1.25 -4.78 116.67 117.93 3ndj s ASP 153 Ca 0.43 0.21 -0.30 0.00 -0.00 0.00 0.00 52.55 52.90 3ndj s ASP 153 Cb -0.02 0.47 -0.09 0.00 -0.00 0.00 0.00 42.92 43.28 3ndj s ASP 153 CO -0.01 -0.66 1.01 -0.36 -0.00 0.00 0.00 175.17 175.15 3ndj s PHE 154 N -2.15 3.80 0.12 4.23 0.08 -1.26 -3.20 117.98 119.60 3ndj s PHE 154 Ca -0.07 1.82 -0.30 0.00 0.12 0.00 0.00 56.93 58.49 3ndj s PHE 154 Cb -0.01 -3.12 -0.07 0.00 -0.57 0.00 0.00 43.02 39.25 3ndj s PHE 154 CO 0.01 -0.00 1.19 0.12 -0.10 0.00 0.00 175.22 176.43 3ndj s PHE 155 N -1.13 3.46 0.08 0.36 2.19 -1.26 -4.73 117.98 116.94 3ndj s PHE 155 Ca 0.43 1.37 -0.08 0.00 0.33 0.00 0.00 56.93 58.98 3ndj s PHE 155 Cb -0.29 -3.41 0.03 0.00 -1.31 0.00 0.00 43.02 38.05 3ndj s PHE 155 CO 0.36 -1.18 0.37 -0.85 1.83 0.00 0.00 175.22 175.76 3ndj n GLU 156 N 3.28 0.26 0.19 10.12 0.28 -1.26 -4.77 120.64 128.75 3ndj n GLU 156 Ca 0.07 -0.58 -0.15 0.00 -0.16 0.00 0.00 57.16 56.34 3ndj n GLU 156 Cb 0.46 0.78 -0.07 0.00 1.43 0.00 0.00 31.44 34.03 3ndj n GLU 156 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 177.13 176.75 3ndj h LYS 157 N 0.00 -0.48 -0.53 3.44 3.64 -1.85 -1.39 116.57 119.41 3ndj h LYS 157 Ca -0.10 0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 59.25 3ndj h LYS 157 Cb 0.45 0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.35 3ndj h LYS 157 CO 0.14 -0.32 0.08 0.00 -2.27 0.00 0.00 179.45 177.08 3ndj h ALA 158 N 0.16 1.15 0.01 5.00 0.00 -1.96 -0.53 119.26 123.09 3ndj h ALA 158 Ca -0.03 -0.23 -0.20 0.00 0.00 0.00 0.00 54.91 54.45 3ndj h ALA 158 Cb 0.43 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 3ndj h ALA 158 CO 0.01 0.56 -0.89 1.79 0.00 0.00 0.00 179.25 180.73 3ndj h THR 159 N 0.79 1.50 -0.78 0.00 1.35 -1.81 -1.97 112.91 111.99 3ndj h THR 159 Ca 0.17 -2.65 0.00 0.00 -0.55 0.00 0.00 66.41 63.37 3ndj h THR 159 Cb 0.36 2.49 -0.04 0.00 -1.73 0.00 0.00 68.15 69.23 3ndj h THR 159 CO 0.01 0.77 0.49 0.00 -0.25 0.00 0.00 175.52 176.54 3ndj h ALA 160 N 0.96 1.00 -0.74 6.62 0.00 -0.92 -1.18 119.26 125.01 3ndj h ALA 160 Ca -0.04 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 3ndj h ALA 160 Cb 1.52 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 18.96 3ndj h ALA 160 CO 0.14 0.44 0.43 -0.44 0.00 0.00 0.00 179.25 179.82 3ndj h ASP 161 N 1.07 0.89 -0.22 0.00 3.32 -0.80 -0.22 116.42 120.47 3ndj h ASP 161 Ca 0.28 -0.05 -0.09 0.00 0.02 0.00 0.00 57.03 57.19 3ndj h ASP 161 Cb -0.07 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.25 3ndj h ASP 161 CO -0.06 0.69 -0.21 -0.78 -1.72 0.00 0.00 179.24 177.17 3ndj h ASP 162 N 1.02 0.56 0.34 6.45 3.58 -0.91 -0.64 116.42 126.83 3ndj h ASP 162 Ca 0.26 -0.47 -0.05 0.00 0.42 0.00 0.00 57.03 57.19 3ndj h ASP 162 Cb -0.03 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 40.86 3ndj h ASP 162 CO -0.05 0.92 -0.24 0.58 -2.88 0.00 0.00 179.24 177.57 3ndj h VAL 163 N 0.21 0.98 -0.25 2.25 2.07 -0.75 -2.54 116.25 118.23 3ndj h VAL 163 Ca 0.04 -0.86 -0.10 0.00 0.82 0.00 0.00 66.70 66.59 3ndj h VAL 163 Cb 0.75 1.49 -0.00 0.00 -1.52 0.00 0.00 31.29 32.01 3ndj h VAL 163 CO 0.05 0.23 -0.24 -0.09 0.02 0.00 0.00 177.57 177.54 3ndj h ARG 164 N 0.00 0.60 -0.82 1.57 9.65 -0.56 0.33 114.38 125.15 3ndj h ARG 164 Ca -0.00 -0.32 0.11 0.00 -1.10 0.00 0.00 59.98 58.67 3ndj h ARG 164 Cb 0.47 0.01 -0.08 0.00 -1.39 0.00 0.00 29.97 28.98 3ndj h ARG 164 CO 0.03 0.92 0.45 -0.09 2.80 0.00 0.00 179.97 184.07 3ndj h ARG 165 N 0.32 0.69 0.00 0.20 2.43 -0.77 -1.45 114.38 115.79 3ndj h ARG 165 Ca 0.04 -0.04 -0.24 0.00 -0.81 0.00 0.00 59.98 58.93 3ndj h ARG 165 Cb 0.80 -0.15 -0.05 0.00 -0.42 0.00 0.00 29.97 30.15 3ndj h ARG 165 CO 0.06 0.45 -2.04 0.25 -1.51 0.00 0.00 179.97 177.18 3ndj n THR 166 N -4.80 0.90 0.29 0.20 -2.24 -0.99 -4.66 114.28 102.97 3ndj n THR 166 Ca 0.15 -0.63 0.03 0.00 -2.27 0.00 0.00 64.05 61.33 3ndj n THR 166 Cb 0.34 -0.45 -0.04 0.00 -2.10 0.00 0.00 70.33 68.08 3ndj n THR 166 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3ndj n GLU 167 N -2.50 4.56 0.00 -0.78 -0.58 0.10 -5.10 120.64 116.34 3ndj n GLU 167 Ca -0.22 -0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.52 3ndj n GLU 167 Cb 0.92 -0.83 0.00 0.00 -0.57 0.00 0.00 31.44 30.96 3ndj n GLU 167 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3ndj n GLY 168 N 1.21 -2.57 3.79 0.62 0.00 -0.55 -4.95 105.19 102.74 3ndj n GLY 168 Ca 0.01 -1.64 -0.34 0.00 0.00 0.00 0.00 46.02 44.05 3ndj n GLY 168 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3ndj s PRO 169 N -0.80 3.44 -0.14 1.61 0.04 -1.26 -4.53 135.00 133.36 3ndj s PRO 169 Ca 0.00 1.45 -0.12 0.00 0.04 0.00 0.00 61.00 62.37 3ndj s PRO 169 Cb 0.00 -2.03 -0.05 0.00 0.04 0.00 0.00 34.50 32.46 3ndj s PRO 169 CO 0.00 -0.75 0.26 0.00 0.04 0.00 0.00 177.00 176.55 3ndj s ALA 170 N -2.00 3.67 0.24 8.56 0.00 0.15 -4.71 121.76 127.68 3ndj s ALA 170 Ca 0.69 -0.49 0.02 0.00 0.00 0.00 0.00 51.96 52.18 3ndj s ALA 170 Cb -0.20 -2.29 0.27 0.00 0.00 0.00 0.00 23.12 20.90 3ndj s ALA 170 CO 0.28 0.24 1.59 -0.91 0.00 0.00 0.00 175.76 176.96 3ndj h ASN 171 N 6.14 0.41 -3.83 0.00 4.21 -1.07 -0.22 115.58 121.22 3ndj h ASN 171 Ca -0.45 -0.20 -0.33 0.00 1.21 0.00 0.00 56.30 56.53 3ndj h ASN 171 Cb 1.18 -0.12 -0.29 0.00 -1.12 0.00 0.00 38.32 37.97 3ndj h ASN 171 CO 0.71 0.84 -0.75 -0.69 -1.29 0.00 0.00 177.43 176.24 3ndj s VAL 172 N -4.02 0.40 -0.14 2.81 1.01 -1.16 -1.87 120.40 117.42 3ndj s VAL 172 Ca -0.06 -0.18 0.02 0.00 0.00 0.00 0.00 61.98 61.76 3ndj s VAL 172 Cb 0.12 -0.36 0.01 0.00 0.00 0.00 0.00 36.38 36.16 3ndj s VAL 172 CO 0.81 0.13 -0.19 -0.63 0.00 0.00 0.00 175.10 175.21 3ndj s ILE 173 N 0.08 1.91 0.01 2.22 1.01 -0.70 -1.09 121.20 124.64 3ndj s ILE 173 Ca -0.00 -0.87 0.05 0.00 0.00 0.00 0.00 60.65 59.83 3ndj s ILE 173 Cb -0.04 -1.71 -0.02 0.00 0.01 0.00 0.00 42.46 40.70 3ndj s ILE 173 CO -0.00 0.52 -0.16 -0.47 0.00 0.00 0.00 174.94 174.82 3ndj s TYR 174 N 1.02 1.44 -0.05 3.97 5.04 -0.36 -0.74 117.35 127.67 3ndj s TYR 174 Ca -0.03 -0.31 -0.02 0.00 -2.44 0.00 0.00 57.07 54.27 3ndj s TYR 174 Cb -0.15 -0.90 0.04 0.00 0.35 0.00 0.00 41.96 41.31 3ndj s TYR 174 CO -0.05 0.01 0.11 0.00 -1.34 0.00 0.00 175.55 174.28 3ndj s ALA 175 N -0.56 -0.09 -0.10 3.97 0.00 -0.19 -0.89 121.76 123.90 3ndj s ALA 175 Ca 0.05 0.50 0.03 0.00 0.00 0.00 0.00 51.96 52.54 3ndj s ALA 175 Cb -0.07 -0.50 -0.01 0.00 0.00 0.00 0.00 23.12 22.54 3ndj s ALA 175 CO 0.00 -0.27 -0.18 0.00 0.00 0.00 0.00 175.76 175.31 3ndj s ALA 176 N 1.52 2.43 -1.72 0.00 0.00 -1.26 -0.85 121.76 121.88 3ndj s ALA 176 Ca -0.05 -0.95 -0.19 0.00 0.00 0.00 0.00 51.96 50.77 3ndj s ALA 176 Cb -0.12 -0.98 0.17 0.00 0.00 0.00 0.00 23.12 22.19 3ndj s ALA 176 CO -0.05 0.34 0.78 0.09 0.00 0.00 0.00 175.76 176.92 3ndj n ASN 177 N 3.22 -3.25 0.00 0.00 3.02 0.63 -4.77 115.26 114.12 3ndj n ASN 177 Ca -0.18 -1.03 0.00 0.00 -0.03 0.00 0.00 54.58 53.34 3ndj n ASN 177 Cb 0.53 -2.69 0.00 0.00 -0.61 0.00 0.00 39.78 37.01 3ndj n ASN 177 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 3ndj n THR 178 N -4.36 0.00 -0.19 3.41 -1.04 -1.26 -4.84 114.28 106.00 3ndj n THR 178 Ca 0.08 0.00 -0.08 0.00 -2.04 0.00 0.00 64.05 62.01 3ndj n THR 178 Cb 0.49 -0.31 0.02 0.00 -1.82 0.00 0.00 70.33 68.70 3ndj n THR 178 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 3ndj h LEU 179 N 0.00 0.78 0.00 -4.42 5.85 -1.86 -0.37 115.31 115.29 3ndj h LEU 179 Ca 0.00 -0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.53 3ndj h LEU 179 Cb 0.18 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.00 3ndj h LEU 179 CO 0.00 0.76 0.00 0.00 -0.34 0.00 0.00 178.44 178.86 3ndj n HIS 181 N -1.36 0.00 -3.84 0.00 8.25 -0.15 -0.70 115.22 117.42 3ndj n HIS 181 Ca 0.03 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.14 3ndj n HIS 181 Cb 0.07 -0.33 -0.13 0.00 1.12 0.00 0.00 29.99 30.72 3ndj n HIS 181 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3ndj s ILE 182 N -2.96 3.08 0.51 1.59 1.01 -0.84 -4.61 121.20 118.98 3ndj s ILE 182 Ca 0.13 -1.92 0.19 0.00 0.00 0.00 0.00 60.65 59.05 3ndj s ILE 182 Cb 0.18 -3.05 0.27 0.00 0.01 0.00 0.00 42.46 39.87 3ndj s ILE 182 CO 0.63 -0.53 2.13 -0.65 0.00 0.00 0.00 174.94 176.51 3ndj h PRO 183 N 7.98 0.00 -2.09 2.79 0.11 -1.87 -3.05 132.00 135.86 3ndj h PRO 183 Ca -0.14 0.00 -0.32 0.00 0.11 0.00 0.00 66.00 65.66 3ndj h PRO 183 Cb 1.05 0.00 -0.09 0.00 0.11 0.00 0.00 31.00 32.07 3ndj h PRO 183 CO 0.63 0.05 0.20 2.48 -0.21 0.00 0.00 178.00 181.15 3ndj n TYR 184 N -4.29 0.64 0.18 0.65 4.11 -1.26 -4.61 117.16 112.58 3ndj n TYR 184 Ca -0.03 -1.76 0.04 0.00 -0.00 0.00 0.00 57.90 56.15 3ndj n TYR 184 Cb 0.13 -1.62 0.45 0.00 -0.00 0.00 0.00 39.34 38.31 3ndj n TYR 184 CO 0.00 0.00 0.00 -0.24 -0.00 0.00 0.00 176.86 176.62 3ndj h VAL 185 N 2.09 1.15 -0.48 -3.48 3.04 -1.82 -1.98 116.25 114.77 3ndj h VAL 185 Ca 0.31 -0.71 -0.04 0.00 -1.01 0.00 0.00 66.70 65.25 3ndj h VAL 185 Cb 1.20 1.30 -0.02 0.00 -2.01 0.00 0.00 31.29 31.76 3ndj h VAL 185 CO 0.54 0.21 0.15 1.56 -1.01 0.00 0.00 177.57 179.01 3ndj h GLN 186 N 0.08 0.75 -0.45 4.17 4.20 -1.81 -0.15 115.11 121.90 3ndj h GLN 186 Ca 0.02 -0.16 0.02 0.00 0.06 0.00 0.00 58.65 58.59 3ndj h GLN 186 Cb 0.35 -0.11 -0.03 0.00 0.30 0.00 0.00 27.48 27.99 3ndj h GLN 186 CO 0.02 0.71 0.26 1.03 -0.67 0.00 0.00 178.83 180.18 3ndj h SER 187 N 0.64 0.41 -0.42 1.46 0.87 -1.77 0.29 113.55 115.03 3ndj h SER 187 Ca 0.15 0.01 0.08 0.00 -1.23 0.00 0.00 61.79 60.80 3ndj h SER 187 Cb 0.28 -0.08 -0.07 0.00 -0.44 0.00 0.00 62.40 62.08 3ndj h SER 187 CO -0.00 0.29 -0.05 0.58 -0.53 0.00 0.00 176.83 177.12 3ndj h VAL 188 N 0.52 0.63 -0.35 2.23 2.07 -1.10 -0.04 116.25 120.21 3ndj h VAL 188 Ca 0.18 -0.02 -0.08 0.00 0.82 0.00 0.00 66.70 67.60 3ndj h VAL 188 Cb 0.03 0.57 -0.02 0.00 -1.52 0.00 0.00 31.29 30.35 3ndj h VAL 188 CO -0.09 0.01 -0.14 -0.07 0.02 0.00 0.00 177.57 177.30 3ndj h LEU 189 N 0.06 0.61 -0.68 2.57 3.38 -0.52 0.12 115.31 120.83 3ndj h LEU 189 Ca 0.21 -0.17 -0.06 0.00 0.09 0.00 0.00 57.88 57.95 3ndj h LEU 189 Cb 0.31 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 3ndj h LEU 189 CO -0.39 0.77 0.21 -0.33 0.09 0.00 0.00 178.44 178.79 3ndj h GLU 190 N 0.56 1.06 -0.65 1.13 5.08 -0.42 -0.24 114.58 121.11 3ndj h GLU 190 Ca 0.10 -0.23 -0.04 0.00 -1.00 0.00 0.00 59.36 58.19 3ndj h GLU 190 Cb 0.56 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.63 3ndj h GLU 190 CO 0.04 0.92 0.26 0.78 -1.00 0.00 0.00 179.01 180.01 3ndj h GLY 191 N 1.00 1.03 0.68 -3.84 0.00 0.04 -1.08 103.07 100.90 3ndj h GLY 191 Ca 0.22 -0.56 0.06 0.00 0.00 0.00 0.00 47.33 47.05 3ndj h GLY 191 CO -0.01 0.53 0.43 -2.08 0.00 0.00 0.00 176.54 175.41 3ndj h VAL 192 N 0.91 0.99 -0.74 4.60 2.07 -0.61 -0.67 116.25 122.80 3ndj h VAL 192 Ca 0.22 -0.27 -0.03 0.00 0.82 0.00 0.00 66.70 67.43 3ndj h VAL 192 Cb 0.20 0.13 -0.03 0.00 -1.52 0.00 0.00 31.29 30.07 3ndj h VAL 192 CO -0.02 0.14 0.34 -0.78 0.02 0.00 0.00 177.57 177.27 3ndj h ASP 193 N 0.79 0.98 -0.07 0.57 -0.00 -0.61 0.98 116.42 119.06 3ndj h ASP 193 Ca 0.33 -0.14 -0.10 0.00 -0.00 0.00 0.00 57.03 57.12 3ndj h ASP 193 Cb 0.20 -0.25 -0.01 0.00 -0.00 0.00 0.00 39.33 39.26 3ndj h ASP 193 CO -0.18 0.85 -0.27 0.00 -0.00 0.00 0.00 179.24 179.64 3ndj h ALA 194 N 1.17 1.05 0.00 -0.78 0.00 -0.51 -3.36 119.26 116.82 3ndj h ALA 194 Ca 0.25 -0.36 -0.29 0.00 0.00 0.00 0.00 54.91 54.51 3ndj h ALA 194 Cb 0.14 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 17.76 3ndj h ALA 194 CO -0.03 0.58 -2.14 -0.11 0.00 0.00 0.00 179.25 177.55 3ndj n LEU 195 N -4.11 0.00 -4.76 0.00 7.94 -0.32 -4.91 117.00 110.84 3ndj n LEU 195 Ca -0.00 0.00 -0.39 0.00 -1.11 0.00 0.00 56.01 54.50 3ndj n LEU 195 Cb 0.42 0.40 -0.04 0.00 0.53 0.00 0.00 43.42 44.73 3ndj n LEU 195 CO 0.43 0.40 0.77 -0.22 -1.11 0.00 0.00 177.39 177.65 3ndj s LEU 196 N -5.19 4.44 0.80 -1.96 2.96 0.31 -0.67 118.68 119.36 3ndj s LEU 196 Ca -0.08 2.19 -0.13 0.00 -0.22 0.00 0.00 54.13 55.88 3ndj s LEU 196 Cb 0.05 -3.79 0.08 0.00 0.50 0.00 0.00 46.19 43.04 3ndj s LEU 196 CO 0.69 -0.23 1.21 0.00 -1.32 0.00 0.00 176.35 176.70 3ndj s ALA 197 N -1.30 1.84 0.43 5.97 0.00 -0.10 -4.75 121.76 123.86 3ndj s ALA 197 Ca 0.48 0.85 0.10 0.00 0.00 0.00 0.00 51.96 53.39 3ndj s ALA 197 Cb -0.29 -3.49 0.95 0.00 0.00 0.00 0.00 23.12 20.29 3ndj s ALA 197 CO 0.37 -2.29 2.05 -1.35 0.00 0.00 0.00 175.76 174.54 3ndj h PRO 198 N -0.88 0.34 -0.62 0.00 0.11 -1.94 -1.58 132.00 127.42 3ndj h PRO 198 Ca -0.46 -0.03 -0.20 0.00 0.11 0.00 0.00 66.00 65.41 3ndj h PRO 198 Cb 1.30 -0.07 -0.12 0.00 0.11 0.00 0.00 31.00 32.21 3ndj h PRO 198 CO 0.46 0.27 0.21 -0.40 -0.21 0.00 0.00 178.00 178.33 3ndj n ASP 199 N -4.45 4.20 -4.60 -2.05 3.85 -1.26 -4.59 116.55 107.65 3ndj n ASP 199 Ca 0.01 -3.32 -0.24 0.00 -0.71 0.00 0.00 54.79 50.53 3ndj n ASP 199 Cb 0.11 -0.70 0.12 0.00 -1.35 0.00 0.00 41.12 39.30 3ndj n ASP 199 CO 0.00 0.00 0.00 -0.83 -1.01 0.00 0.00 177.20 175.36 3ndj s GLY 200 N -1.46 1.75 0.03 6.12 0.00 -0.60 -5.06 107.32 108.11 3ndj s GLY 200 Ca 0.52 -1.80 0.05 0.00 0.00 0.00 0.00 44.72 43.49 3ndj s GLY 200 CO 0.10 -1.17 -0.15 -1.34 0.00 0.00 0.00 173.10 170.53 3ndj s VAL 201 N -3.23 1.23 -0.26 1.40 -7.23 -0.78 -4.45 120.40 107.08 3ndj s VAL 201 Ca 0.68 -1.00 -0.05 0.00 -1.81 0.00 0.00 61.98 59.80 3ndj s VAL 201 Cb -0.04 -1.09 0.00 0.00 0.56 0.00 0.00 36.38 35.81 3ndj s VAL 201 CO 0.46 0.08 0.02 0.12 -0.31 0.00 0.00 175.10 175.46 3ndj s PHE 202 N -0.78 3.07 -0.12 2.82 5.36 -0.03 -1.72 117.98 126.58 3ndj s PHE 202 Ca 0.03 -0.99 0.03 0.00 -0.96 0.00 0.00 56.93 55.05 3ndj s PHE 202 Cb -0.08 -2.17 0.00 0.00 -0.34 0.00 0.00 43.02 40.43 3ndj s PHE 202 CO 0.01 -0.56 -0.23 0.08 -1.46 0.00 0.00 175.22 173.06 3ndj s VAL 203 N 1.48 2.06 0.02 3.12 1.01 0.08 0.13 120.40 128.30 3ndj s VAL 203 Ca 0.04 -1.00 0.01 0.00 0.00 0.00 0.00 61.98 61.02 3ndj s VAL 203 Cb -0.16 -1.80 -0.02 0.00 0.00 0.00 0.00 36.38 34.41 3ndj s VAL 203 CO -0.00 0.56 -0.04 0.72 0.00 0.00 0.00 175.10 176.33 3ndj s PHE 204 N 0.54 0.36 -0.00 5.22 -0.71 -0.53 -1.02 117.98 121.84 3ndj s PHE 204 Ca -0.14 -0.37 0.04 0.00 -1.04 0.00 0.00 56.93 55.42 3ndj s PHE 204 Cb -0.17 -0.23 -0.01 0.00 -1.21 0.00 0.00 43.02 41.40 3ndj s PHE 204 CO 0.04 -0.10 -0.12 -1.83 -1.34 0.00 0.00 175.22 171.88 3ndj s GLU 205 N -1.05 0.94 0.11 1.99 -1.05 -0.02 -0.62 118.70 119.00 3ndj s GLU 205 Ca -0.09 -0.46 -0.19 0.00 -0.15 0.00 0.00 54.97 54.09 3ndj s GLU 205 Cb -0.07 -0.91 0.05 0.00 -0.44 0.00 0.00 34.13 32.75 3ndj s GLU 205 CO -0.00 0.25 0.47 -0.51 0.95 0.00 0.00 175.26 176.41 3ndj s ASP 206 N -0.38 -0.35 0.14 0.83 1.01 -1.06 -0.27 116.67 116.60 3ndj s ASP 206 Ca 0.04 -0.13 -0.34 0.00 0.71 0.00 0.00 52.55 52.83 3ndj s ASP 206 Cb -0.05 0.50 -0.15 0.00 1.01 0.00 0.00 42.92 44.23 3ndj s ASP 206 CO -0.00 -0.84 1.37 -2.65 0.21 0.00 0.00 175.17 173.26 3ndj n PRO 207 N -0.08 1.53 -3.57 8.23 -0.02 -1.26 -2.31 135.00 137.53 3ndj n PRO 207 Ca -0.17 0.55 -0.37 0.00 -2.02 0.00 0.00 63.50 61.50 3ndj n PRO 207 Cb 0.63 -2.20 -0.07 0.00 -0.02 0.00 0.00 33.50 31.85 3ndj n PRO 207 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 3ndj s TYR 208 N 0.37 3.50 0.29 6.00 6.04 -0.58 -3.90 117.35 129.09 3ndj s TYR 208 Ca 0.78 0.63 0.04 0.00 0.04 0.00 0.00 57.07 58.57 3ndj s TYR 208 Cb -0.82 -2.29 0.68 0.00 -1.04 0.00 0.00 41.96 38.49 3ndj s TYR 208 CO 0.46 0.33 1.78 1.25 -1.54 0.00 0.00 175.55 177.84 3ndj h LEU 209 N 6.28 0.77 -0.36 6.97 5.85 -1.27 -1.64 115.31 131.91 3ndj h LEU 209 Ca -0.44 0.09 0.05 0.00 0.84 0.00 0.00 57.88 58.42 3ndj h LEU 209 Cb 1.18 -0.05 -0.05 0.00 0.37 0.00 0.00 40.66 42.11 3ndj h LEU 209 CO 0.72 0.30 0.09 1.23 -0.34 0.00 0.00 178.44 180.44 3ndj h GLY 210 N 0.78 0.43 1.14 3.75 0.00 -1.93 -1.45 103.07 105.78 3ndj h GLY 210 Ca 0.55 -0.03 -0.06 0.00 0.00 0.00 0.00 47.33 47.79 3ndj h GLY 210 CO -0.37 -0.01 0.20 -0.55 0.00 0.00 0.00 176.54 175.81 3ndj h ASP 211 N 0.21 1.01 -0.41 0.19 3.32 -1.74 -1.33 116.42 117.68 3ndj h ASP 211 Ca 0.17 -0.19 -0.01 0.00 0.02 0.00 0.00 57.03 57.02 3ndj h ASP 211 Cb 0.19 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.45 3ndj h ASP 211 CO -0.21 0.95 0.23 0.40 -1.72 0.00 0.00 179.24 178.89 3ndj h ILE 212 N 1.04 1.14 -0.42 0.35 2.04 -0.81 -0.85 117.51 120.00 3ndj h ILE 212 Ca 0.22 -0.36 -0.14 0.00 1.00 0.00 0.00 64.86 65.59 3ndj h ILE 212 Cb 0.31 0.64 -0.01 0.00 -0.74 0.00 0.00 36.82 37.02 3ndj h ILE 212 CO -0.01 0.15 -0.28 0.58 0.00 0.00 0.00 178.15 178.59 3ndj h VAL 213 N 0.53 1.27 -0.33 1.67 2.07 -1.27 0.19 116.25 120.39 3ndj h VAL 213 Ca 0.14 -1.44 -0.11 0.00 0.82 0.00 0.00 66.70 66.11 3ndj h VAL 213 Cb 0.03 1.25 -0.01 0.00 -1.52 0.00 0.00 31.29 31.04 3ndj h VAL 213 CO -0.02 0.49 -0.25 0.00 0.02 0.00 0.00 177.57 177.80 3ndj h ALA 214 N 0.90 0.95 -0.00 1.67 0.00 -0.96 -3.12 119.26 118.69 3ndj h ALA 214 Ca 0.09 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.63 3ndj h ALA 214 Cb 0.85 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.50 3ndj h ALA 214 CO 0.07 0.61 -0.72 1.63 0.00 0.00 0.00 179.25 180.85 3ndj n LYS 215 N -4.11 0.32 -3.68 0.00 5.02 -0.35 -4.96 118.16 110.40 3ndj n LYS 215 Ca -0.00 -0.25 -0.27 0.00 -2.02 0.00 0.00 58.31 55.77 3ndj n LYS 215 Cb 0.43 -1.49 0.04 0.00 -0.02 0.00 0.00 35.03 33.99 3ndj n LYS 215 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 3ndj n THR 216 N -1.13 -2.25 -2.33 -0.18 -1.04 0.61 -4.32 114.28 103.65 3ndj n THR 216 Ca 0.06 0.00 -0.43 0.00 -2.04 0.00 0.00 64.05 61.65 3ndj n THR 216 Cb 0.36 -3.20 0.00 0.00 -1.82 0.00 0.00 70.33 65.67 3ndj n THR 216 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 3ndj n SER 217 N -2.82 4.93 0.26 8.00 3.41 -0.84 -4.70 113.62 121.86 3ndj n SER 217 Ca 0.01 -3.05 0.17 0.00 -0.26 0.00 0.00 58.87 55.74 3ndj n SER 217 Cb 0.55 -1.52 0.71 0.00 -0.26 0.00 0.00 64.21 63.69 3ndj n SER 217 CO 0.00 0.00 0.00 2.19 -0.16 0.00 0.00 175.04 177.07 3ndj h PHE 218 N 5.99 0.00 0.00 7.33 -0.00 -1.89 -1.90 116.94 126.47 3ndj h PHE 218 Ca 0.41 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 58.38 3ndj h PHE 218 Cb 0.66 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 36.61 3ndj h PHE 218 CO 1.27 0.00 0.00 -0.40 -0.00 0.00 0.00 178.31 179.18 3ndj n ASP 219 N -2.98 0.00 0.00 -0.68 5.75 -1.26 -0.59 116.55 116.79 3ndj n ASP 219 Ca 0.00 0.08 0.09 0.00 -0.01 0.00 0.00 54.79 54.96 3ndj n ASP 219 Cb 0.27 -0.31 0.45 0.00 -1.03 0.00 0.00 41.12 40.50 3ndj n ASP 219 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3ndj n GLN 220 N -1.31 0.23 -3.76 0.11 1.13 -0.71 -4.33 117.38 108.73 3ndj n GLN 220 Ca 0.08 0.12 -0.37 0.00 -1.94 0.00 0.00 57.00 54.89 3ndj n GLN 220 Cb 0.15 -1.50 -0.13 0.00 0.11 0.00 0.00 30.24 28.87 3ndj n GLN 220 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 3ndj s ILE 221 N -2.63 4.12 0.25 5.09 1.01 0.24 -4.77 121.20 124.52 3ndj s ILE 221 Ca 0.16 -0.43 -0.20 0.00 0.00 0.00 0.00 60.65 60.18 3ndj s ILE 221 Cb 0.12 -3.02 0.07 0.00 0.01 0.00 0.00 42.46 39.64 3ndj s ILE 221 CO 0.29 0.22 0.96 -0.72 0.00 0.00 0.00 174.94 175.68 3ndj s TYR 222 N 1.56 0.07 0.29 3.97 -0.85 -1.26 -4.78 117.35 116.35 3ndj s TYR 222 Ca 0.05 -0.55 0.03 0.00 -0.52 0.00 0.00 57.07 56.08 3ndj s TYR 222 Cb -0.16 0.74 0.68 0.00 0.38 0.00 0.00 41.96 43.60 3ndj s TYR 222 CO 0.03 -1.12 1.75 0.38 -1.52 0.00 0.00 175.55 175.07 3ndj h ASP 223 N 2.00 0.59 1.08 -0.18 -0.00 -1.96 -1.04 116.42 116.91 3ndj h ASP 223 Ca -0.29 0.11 0.00 0.00 -0.00 0.00 0.00 57.03 56.86 3ndj h ASP 223 Cb 1.23 0.02 0.00 0.00 -0.00 0.00 0.00 39.33 40.58 3ndj h ASP 223 CO 0.37 0.18 -0.18 -0.62 -0.00 0.00 0.00 179.24 178.98 3ndj n GLU 224 N -4.87 0.15 -3.45 4.15 1.02 -1.26 -4.25 120.64 112.12 3ndj n GLU 224 Ca 0.21 0.09 -0.43 0.00 -0.02 0.00 0.00 57.16 57.01 3ndj n GLU 224 Cb 0.56 -1.64 -0.04 0.00 -0.02 0.00 0.00 31.44 30.30 3ndj n GLU 224 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 3ndj s HIS 225 N -3.07 3.73 0.19 -0.32 3.76 -0.39 -3.75 115.29 115.45 3ndj s HIS 225 Ca 0.11 -2.32 -0.07 0.00 -0.15 0.00 0.00 55.06 52.63 3ndj s HIS 225 Cb 0.15 -3.63 0.11 0.00 1.11 0.00 0.00 32.58 30.33 3ndj s HIS 225 CO 0.61 -0.93 1.60 0.35 -0.85 0.00 0.00 174.74 175.52 3ndj h PHE 226 N 7.34 0.99 -4.14 1.40 3.04 -1.09 -3.40 116.94 121.07 3ndj h PHE 226 Ca 0.09 -0.23 -0.69 0.00 3.98 0.00 0.00 57.97 61.12 3ndj h PHE 226 Cb 0.98 -0.23 -0.24 0.00 2.56 0.00 0.00 35.95 39.02 3ndj h PHE 226 CO 0.91 1.00 -0.81 -0.06 -2.02 0.00 0.00 178.31 177.32 3ndj s PHE 227 N -4.63 2.55 -0.58 0.41 0.08 -0.78 -0.67 117.98 114.36 3ndj s PHE 227 Ca -0.10 -0.27 -0.01 0.00 0.12 0.00 0.00 56.93 56.68 3ndj s PHE 227 Cb 0.13 -1.53 0.15 0.00 -0.57 0.00 0.00 43.02 41.20 3ndj s PHE 227 CO 0.85 0.16 0.37 -0.51 -0.10 0.00 0.00 175.22 176.00 3ndj s LEU 228 N -1.00 4.97 0.54 -0.37 1.43 -0.35 -4.81 118.68 119.08 3ndj s LEU 228 Ca 0.12 -2.86 -0.20 0.00 -1.03 0.00 0.00 54.13 50.15 3ndj s LEU 228 Cb -0.10 -1.79 -0.05 0.00 0.03 0.00 0.00 46.19 44.28 3ndj s LEU 228 CO 0.02 -0.33 1.21 -0.36 0.23 0.00 0.00 176.35 177.11 3ndj s PHE 229 N -0.08 2.55 0.29 0.29 0.08 -1.25 -4.32 117.98 115.54 3ndj s PHE 229 Ca 0.17 1.50 0.03 0.00 0.12 0.00 0.00 56.93 58.75 3ndj s PHE 229 Cb -0.22 -3.47 -0.06 0.00 -0.57 0.00 0.00 43.02 38.70 3ndj s PHE 229 CO -0.03 -2.03 0.05 -1.54 -0.10 0.00 0.00 175.22 171.58 3ndj s SER 230 N -1.46 1.99 0.23 1.36 1.04 -1.26 -0.96 113.70 114.64 3ndj s SER 230 Ca 0.72 -1.34 -0.06 0.00 0.48 0.00 0.00 55.95 55.75 3ndj s SER 230 Cb -0.30 -0.01 0.22 0.00 0.10 0.00 0.00 66.02 66.02 3ndj s SER 230 CO 0.35 -0.61 1.80 0.00 0.98 0.00 0.00 173.24 175.75 3ndj h ALA 231 N 2.25 1.09 -0.06 5.32 0.00 -1.97 -1.02 119.26 124.88 3ndj h ALA 231 Ca -0.40 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 54.35 3ndj h ALA 231 Cb 1.24 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.70 3ndj h ALA 231 CO 0.66 0.64 -0.11 1.15 0.00 0.00 0.00 179.25 181.59 3ndj h THR 232 N 1.10 0.70 -0.11 0.00 2.02 -1.92 0.26 112.91 114.95 3ndj h THR 232 Ca 0.25 0.00 -0.18 0.00 0.77 0.00 0.00 66.41 67.25 3ndj h THR 232 Cb 0.22 0.70 -0.00 0.00 -1.74 0.00 0.00 68.15 67.32 3ndj h THR 232 CO -0.02 0.00 -0.68 0.77 0.37 0.00 0.00 175.52 175.96 3ndj h SER 233 N -0.16 0.55 -0.51 4.18 4.64 -1.75 -2.95 113.55 117.55 3ndj h SER 233 Ca 0.06 -0.34 -0.10 0.00 -0.47 0.00 0.00 61.79 60.94 3ndj h SER 233 Cb 0.25 -0.16 -0.02 0.00 -0.31 0.00 0.00 62.40 62.16 3ndj h SER 233 CO -0.16 1.07 -0.07 0.58 -0.87 0.00 0.00 176.83 177.39 3ndj h VAL 234 N 0.33 1.26 -0.54 0.95 2.07 -1.10 0.14 116.25 119.36 3ndj h VAL 234 Ca -0.02 -1.20 0.00 0.00 0.82 0.00 0.00 66.70 66.31 3ndj h VAL 234 Cb 1.25 0.92 -0.03 0.00 -1.52 0.00 0.00 31.29 31.91 3ndj h VAL 234 CO 0.12 0.42 0.35 -0.61 0.02 0.00 0.00 177.57 177.87 3ndj h GLN 235 N 0.88 0.72 -0.46 1.57 4.15 -0.88 0.16 115.11 121.26 3ndj h GLN 235 Ca 0.15 -0.05 -0.04 0.00 0.77 0.00 0.00 58.65 59.47 3ndj h GLN 235 Cb 0.61 -0.16 -0.02 0.00 0.21 0.00 0.00 27.48 28.12 3ndj h GLN 235 CO 0.04 0.49 0.11 0.78 -1.93 0.00 0.00 178.83 178.32 3ndj h GLY 236 N 0.73 0.79 0.89 2.39 0.00 -1.33 -1.29 103.07 105.24 3ndj h GLY 236 Ca 0.20 -0.49 -0.02 0.00 0.00 0.00 0.00 47.33 47.02 3ndj h GLY 236 CO -0.04 0.46 0.08 1.98 0.00 0.00 0.00 176.54 179.02 3ndj h MET 237 N 0.61 0.35 0.08 4.80 1.85 -0.16 -1.40 114.93 121.05 3ndj h MET 237 Ca 0.14 -0.07 0.02 0.00 -0.61 0.00 0.00 59.70 59.18 3ndj h MET 237 Cb 0.32 -0.05 -0.04 0.00 0.43 0.00 0.00 31.60 32.26 3ndj h MET 237 CO 0.00 0.42 -0.26 0.00 -0.40 0.00 0.00 176.91 176.68 3ndj h ALA 238 N 0.91 -0.41 -0.60 0.39 0.00 -0.89 -3.04 119.26 115.62 3ndj h ALA 238 Ca 0.07 -0.03 0.11 0.00 0.00 0.00 0.00 54.91 55.07 3ndj h ALA 238 Cb 0.21 0.43 -0.09 0.00 0.00 0.00 0.00 17.79 18.34 3ndj h ALA 238 CO -0.00 -0.78 0.11 0.37 0.00 0.00 0.00 179.25 178.95 3ndj h GLN 239 N -0.44 0.23 0.00 0.00 -0.00 -1.02 0.23 115.11 114.10 3ndj h GLN 239 Ca 0.04 -0.01 0.00 0.00 -0.00 0.00 0.00 58.65 58.68 3ndj h GLN 239 Cb 0.49 -0.05 0.00 0.00 0.00 0.00 0.00 27.48 27.92 3ndj h GLN 239 CO -0.17 0.15 0.00 0.54 0.00 0.00 0.00 178.83 179.35 3ndj n ARG 240 N -5.15 0.46 0.00 1.69 1.74 -0.55 -2.21 116.66 112.65 3ndj n ARG 240 Ca 0.09 0.01 0.00 0.00 -0.77 0.00 0.00 57.85 57.18 3ndj n ARG 240 Cb 0.33 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.27 3ndj n ARG 240 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3ndj n GLY 242 N -0.10 0.74 3.96 0.00 0.00 -0.94 -5.04 105.19 103.82 3ndj n GLY 242 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 3ndj n GLY 242 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3ndj s PHE 243 N -2.67 1.72 -0.10 1.61 0.08 -0.73 -1.56 117.98 116.32 3ndj s PHE 243 Ca 0.00 -0.73 -0.09 0.00 0.12 0.00 0.00 56.93 56.23 3ndj s PHE 243 Cb 0.00 -2.08 0.03 0.00 -0.57 0.00 0.00 43.02 40.40 3ndj s PHE 243 CO 0.00 -0.71 0.27 -2.00 -0.10 0.00 0.00 175.22 172.68 3ndj s GLU 244 N -4.42 0.30 -0.33 0.44 2.12 -0.15 -3.07 118.70 113.59 3ndj s GLU 244 Ca 0.48 0.41 -0.28 0.00 0.36 0.00 0.00 54.97 55.94 3ndj s GLU 244 Cb -0.04 0.10 0.02 0.00 0.26 0.00 0.00 34.13 34.47 3ndj s GLU 244 CO 0.30 -0.06 1.04 -1.17 -0.54 0.00 0.00 175.26 174.82 3ndj s LEU 245 N 0.37 3.94 -0.00 2.70 2.96 -1.26 -1.38 118.68 126.01 3ndj s LEU 245 Ca -0.02 0.96 0.02 0.00 -0.22 0.00 0.00 54.13 54.87 3ndj s LEU 245 Cb -0.04 -3.48 -0.02 0.00 0.50 0.00 0.00 46.19 43.16 3ndj s LEU 245 CO -0.02 -0.87 0.06 1.33 -1.32 0.00 0.00 176.35 175.54 3ndj n VAL 246 N 5.88 0.00 -3.67 1.68 0.24 0.13 -4.77 118.33 117.82 3ndj n VAL 246 Ca 0.11 -0.37 -0.12 0.00 -2.04 0.00 0.00 64.34 61.92 3ndj n VAL 246 Cb 0.47 0.88 -0.06 0.00 -1.47 0.00 0.00 33.84 33.66 3ndj n VAL 246 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3ndj s ASP 247 N -1.39 -0.24 -0.01 -1.34 -1.08 -1.16 -1.12 116.67 110.33 3ndj s ASP 247 Ca 0.00 -0.13 -0.03 0.00 -0.52 0.00 0.00 52.55 51.87 3ndj s ASP 247 Cb 0.01 0.43 -0.00 0.00 -1.46 0.00 0.00 42.92 41.90 3ndj s ASP 247 CO 0.07 -0.72 0.06 0.68 0.52 0.00 0.00 175.17 175.78 3ndj s VAL 248 N -2.91 0.04 -0.09 1.11 -7.23 -1.26 -1.28 120.40 108.78 3ndj s VAL 248 Ca -0.03 -0.35 -0.04 0.00 -1.81 0.00 0.00 61.98 59.75 3ndj s VAL 248 Cb 0.00 -0.21 0.04 0.00 0.56 0.00 0.00 36.38 36.78 3ndj s VAL 248 CO -0.06 -0.19 0.21 -1.58 -0.31 0.00 0.00 175.10 173.17 3ndj s GLN 249 N -0.59 0.16 0.20 4.82 0.74 -0.10 -4.84 119.66 120.04 3ndj s GLN 249 Ca -0.07 0.47 -0.21 0.00 0.05 0.00 0.00 55.36 55.60 3ndj s GLN 249 Cb -0.04 -0.14 -0.08 0.00 1.10 0.00 0.00 33.01 33.85 3ndj s GLN 249 CO 0.00 -0.16 0.73 1.03 -0.55 0.00 0.00 175.29 176.34 3ndj s ARG 250 N 1.22 4.33 0.02 1.67 0.52 -1.26 0.07 118.95 125.52 3ndj s ARG 250 Ca -0.09 0.94 0.05 0.00 -0.52 0.00 0.00 55.73 56.11 3ndj s ARG 250 Cb -0.11 -3.01 -0.02 0.00 0.52 0.00 0.00 34.95 32.34 3ndj s ARG 250 CO -0.08 0.46 -0.16 -0.51 0.02 0.00 0.00 175.30 175.03 3ndj s LEU 251 N -1.69 2.11 0.17 2.53 1.43 -0.17 -4.93 118.68 118.12 3ndj s LEU 251 Ca 0.40 -0.39 0.26 0.00 -1.03 0.00 0.00 54.13 53.37 3ndj s LEU 251 Cb -0.19 -0.76 0.91 0.00 0.03 0.00 0.00 46.19 46.18 3ndj s LEU 251 CO 0.22 0.13 1.78 -0.81 0.23 0.00 0.00 176.35 177.90 3ndj n PRO 252 N 2.25 0.19 -2.08 1.29 -0.04 -1.26 -0.80 135.00 134.54 3ndj n PRO 252 Ca -0.16 0.21 -0.32 0.00 -0.04 0.00 0.00 63.50 63.19 3ndj n PRO 252 Cb 0.54 -1.74 0.00 0.00 -0.04 0.00 0.00 33.50 32.26 3ndj n PRO 252 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3ndj s VAL 253 N -3.11 4.08 -1.40 0.52 -7.23 -1.26 -3.36 120.40 108.63 3ndj s VAL 253 Ca 0.10 0.93 -0.07 0.00 -1.81 0.00 0.00 61.98 61.13 3ndj s VAL 253 Cb 0.13 -3.50 0.04 0.00 0.56 0.00 0.00 36.38 33.61 3ndj s VAL 253 CO 0.53 -0.63 0.54 1.41 -0.31 0.00 0.00 175.10 176.64 3ndj n HIS 254 N -2.07 -1.87 -0.82 2.82 8.25 -1.26 -1.69 115.22 118.57 3ndj n HIS 254 Ca 0.08 0.49 0.00 0.00 -0.26 0.00 0.00 57.72 58.03 3ndj n HIS 254 Cb 0.53 -3.65 0.00 0.00 1.12 0.00 0.00 29.99 28.00 3ndj n HIS 254 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3ndj n GLY 255 N -1.33 0.88 0.00 -1.41 0.00 -1.23 -4.77 105.19 97.33 3ndj n GLY 255 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 3ndj n GLY 255 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ndj n GLY 256 N -2.07 3.19 3.32 -0.02 0.00 -0.68 -4.83 105.19 104.09 3ndj n GLY 256 Ca 0.00 -0.95 -0.16 0.00 0.00 0.00 0.00 46.02 44.90 3ndj n GLY 256 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ndj s GLU 257 N -4.19 1.36 -0.03 1.61 2.02 0.02 -1.53 118.70 117.96 3ndj s GLU 257 Ca 0.00 -1.71 0.06 0.00 0.02 0.00 0.00 54.97 53.34 3ndj s GLU 257 Cb 0.00 -0.40 -0.01 0.00 0.10 0.00 0.00 34.13 33.82 3ndj s GLU 257 CO 0.00 -0.21 -0.20 0.08 0.02 0.00 0.00 175.26 174.95 3ndj s VAL 258 N -3.62 1.59 -0.28 2.63 1.01 -0.98 -0.99 120.40 119.76 3ndj s VAL 258 Ca 0.33 -0.84 -0.14 0.00 0.00 0.00 0.00 61.98 61.33 3ndj s VAL 258 Cb 0.07 -1.33 -0.04 0.00 0.00 0.00 0.00 36.38 35.08 3ndj s VAL 258 CO 0.11 0.45 0.32 -0.60 0.00 0.00 0.00 175.10 175.38 3ndj s ARG 259 N -0.32 3.98 -0.15 2.72 3.52 0.11 -2.57 118.95 126.24 3ndj s ARG 259 Ca 0.04 -0.08 -0.07 0.00 -0.13 0.00 0.00 55.73 55.48 3ndj s ARG 259 Cb -0.09 -3.66 -0.04 0.00 -1.56 0.00 0.00 34.95 29.59 3ndj s ARG 259 CO 0.00 -0.26 0.11 0.71 -0.81 0.00 0.00 175.30 175.06 3ndj s TYR 260 N 1.98 3.45 -0.23 5.12 2.02 0.21 -0.92 117.35 128.98 3ndj s TYR 260 Ca 0.13 0.38 -0.02 0.00 -0.37 0.00 0.00 57.07 57.18 3ndj s TYR 260 Cb -0.16 -2.01 0.01 0.00 -0.40 0.00 0.00 41.96 39.40 3ndj s TYR 260 CO 0.10 0.50 -0.07 0.99 -1.57 0.00 0.00 175.55 175.51 3ndj s THR 261 N -0.41 3.01 -0.06 -0.71 2.01 -0.40 -1.45 115.64 117.63 3ndj s THR 261 Ca 0.11 -0.80 0.00 0.00 0.31 0.00 0.00 61.69 61.32 3ndj s THR 261 Cb -0.12 -2.44 -0.03 0.00 0.01 0.00 0.00 72.50 69.92 3ndj s THR 261 CO 0.01 0.32 -0.05 -0.76 -0.69 0.00 0.00 174.62 173.46 3ndj s LEU 262 N 1.39 3.30 0.18 4.42 1.02 0.12 -0.69 118.68 128.41 3ndj s LEU 262 Ca 0.03 0.01 0.06 0.00 0.02 0.00 0.00 54.13 54.25 3ndj s LEU 262 Cb -0.15 -1.75 -0.05 0.00 0.02 0.00 0.00 46.19 44.26 3ndj s LEU 262 CO -0.05 0.36 -0.10 0.00 0.02 0.00 0.00 176.35 176.57 3ndj s ALA 263 N -0.86 1.71 0.41 4.21 0.00 -0.48 -0.85 121.76 125.89 3ndj s ALA 263 Ca 0.13 -1.59 -0.25 0.00 0.00 0.00 0.00 51.96 50.26 3ndj s ALA 263 Cb -0.11 0.05 -0.11 0.00 0.00 0.00 0.00 23.12 22.95 3ndj s ALA 263 CO 0.03 -0.06 0.97 0.54 0.00 0.00 0.00 175.76 177.24 3ndj n ARG 264 N -0.30 1.29 -2.03 0.00 3.00 -1.26 -0.98 116.66 116.38 3ndj n ARG 264 Ca -0.09 0.46 -0.42 0.00 -0.01 0.00 0.00 57.85 57.80 3ndj n ARG 264 Cb 0.61 -1.98 -0.03 0.00 0.00 0.00 0.00 32.46 31.07 3ndj n ARG 264 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.63 178.77 3ndj s GLN 265 N -1.93 4.27 0.00 5.56 1.03 -0.60 -1.80 119.66 126.19 3ndj s GLN 265 Ca 0.63 2.27 0.00 0.00 0.04 0.00 0.00 55.36 58.30 3ndj s GLN 265 Cb -0.58 -3.15 0.00 0.00 0.03 0.00 0.00 33.01 29.32 3ndj s GLN 265 CO 0.57 -0.46 0.00 0.41 -2.54 0.00 0.00 175.29 173.27 3ndj n GLY 266 N 2.79 1.48 0.18 2.60 0.00 -1.26 -4.88 105.19 106.09 3ndj n GLY 266 Ca 0.09 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.13 3ndj n GLY 266 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3ndj h SER 267 N 0.00 0.01 -4.85 1.61 4.64 -1.71 -3.45 113.55 109.81 3ndj h SER 267 Ca 0.00 -0.01 -0.23 0.00 -0.47 0.00 0.00 61.79 61.09 3ndj h SER 267 Cb 0.00 -0.00 -0.20 0.00 -0.31 0.00 0.00 62.40 61.89 3ndj h SER 267 CO 0.00 0.44 -0.72 -0.13 -0.87 0.00 0.00 176.83 175.56 3ndj s ARG 268 N -4.06 0.50 -0.11 4.77 0.52 -1.26 -5.08 118.95 114.23 3ndj s ARG 268 Ca -0.03 -0.81 -0.21 0.00 -0.52 0.00 0.00 55.73 54.16 3ndj s ARG 268 Cb 0.14 -0.12 -0.04 0.00 0.52 0.00 0.00 34.95 35.45 3ndj s ARG 268 CO 0.74 0.00 0.59 0.99 0.02 0.00 0.00 175.30 177.64 3ndj s THR 269 N -1.85 5.10 0.48 0.02 2.01 -1.26 -5.00 115.64 115.15 3ndj s THR 269 Ca -0.08 1.18 -0.23 0.00 0.31 0.00 0.00 61.69 62.87 3ndj s THR 269 Cb -0.07 -3.92 -0.08 0.00 0.01 0.00 0.00 72.50 68.44 3ndj s THR 269 CO -0.01 0.26 1.27 -2.65 -0.69 0.00 0.00 174.62 172.80 3ndj n PRO 270 N 3.97 1.76 -1.56 4.92 -0.02 -1.26 -4.97 135.00 137.84 3ndj n PRO 270 Ca -0.04 0.64 -0.31 0.00 -2.02 0.00 0.00 63.50 61.76 3ndj n PRO 270 Cb 0.51 -2.43 0.06 0.00 -0.02 0.00 0.00 33.50 31.62 3ndj n PRO 270 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3ndj s SER 271 N -0.72 5.10 0.66 2.55 1.04 -0.28 -4.87 113.70 117.18 3ndj s SER 271 Ca 0.66 1.77 0.38 0.00 0.48 0.00 0.00 55.95 59.23 3ndj s SER 271 Cb -0.47 -2.52 2.08 0.00 0.10 0.00 0.00 66.02 65.22 3ndj s SER 271 CO 0.54 -1.63 2.20 0.00 0.98 0.00 0.00 173.24 175.33 3ndj h ALA 272 N -0.59 1.21 -0.39 5.32 0.00 -1.93 -1.71 119.26 121.17 3ndj h ALA 272 Ca -0.44 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.42 3ndj h ALA 272 Cb 1.22 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.00 3ndj h ALA 272 CO 0.55 -0.14 0.06 0.00 0.00 0.00 0.00 179.25 179.72 3ndj h ALA 273 N 1.76 1.39 0.41 0.00 0.00 -1.91 -1.71 119.26 119.20 3ndj h ALA 273 Ca 0.01 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 3ndj h ALA 273 Cb 0.27 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3ndj h ALA 273 CO -0.00 0.43 -0.20 0.28 0.00 0.00 0.00 179.25 179.77 3ndj h VAL 274 N 0.56 0.52 -0.79 0.00 2.07 -1.63 -1.71 116.25 115.28 3ndj h VAL 274 Ca 0.13 -0.49 0.05 0.00 0.82 0.00 0.00 66.70 67.21 3ndj h VAL 274 Cb 0.26 0.73 -0.05 0.00 -1.52 0.00 0.00 31.29 30.72 3ndj h VAL 274 CO 0.00 0.08 0.52 0.00 0.02 0.00 0.00 177.57 178.19 3ndj h ALA 275 N -0.44 1.59 -0.57 1.67 0.00 -1.65 -0.87 119.26 118.99 3ndj h ALA 275 Ca -0.06 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 3ndj h ALA 275 Cb 0.55 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 3ndj h ALA 275 CO 0.09 0.30 0.19 1.96 0.00 0.00 0.00 179.25 181.79 3ndj h GLN 276 N 0.89 0.88 -0.33 0.00 4.20 -1.19 -1.28 115.11 118.27 3ndj h GLN 276 Ca 0.33 -0.18 -0.12 0.00 0.06 0.00 0.00 58.65 58.74 3ndj h GLN 276 Cb 0.16 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 27.81 3ndj h GLN 276 CO -0.11 0.79 -0.26 1.25 -0.67 0.00 0.00 178.83 179.83 3ndj h LEU 277 N 0.80 0.80 -0.69 1.46 5.85 -0.75 -1.30 115.31 121.48 3ndj h LEU 277 Ca 0.19 -0.45 0.13 0.00 0.84 0.00 0.00 57.88 58.59 3ndj h LEU 277 Cb 0.26 -0.22 -0.09 0.00 0.37 0.00 0.00 40.66 40.98 3ndj h LEU 277 CO -0.01 1.08 0.21 -0.07 -0.34 0.00 0.00 178.44 179.32 3ndj h LEU 278 N 0.54 0.13 -0.70 2.25 3.38 -1.08 -0.79 115.31 119.05 3ndj h LEU 278 Ca 0.06 0.11 -0.14 0.00 0.09 0.00 0.00 57.88 58.01 3ndj h LEU 278 Cb 0.83 0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.69 3ndj h LEU 278 CO 0.07 0.05 -0.60 0.00 0.09 0.00 0.00 178.44 178.05 3ndj h ALA 279 N 1.53 0.89 -0.28 1.53 0.00 -1.01 -1.24 119.26 120.69 3ndj h ALA 279 Ca 0.37 -0.54 -0.14 0.00 0.00 0.00 0.00 54.91 54.60 3ndj h ALA 279 Cb 0.57 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 3ndj h ALA 279 CO -0.41 0.73 -0.41 0.00 0.00 0.00 0.00 179.25 179.15 3ndj h ALA 280 N 1.25 0.76 -0.52 0.00 0.00 -0.74 -0.26 119.26 119.74 3ndj h ALA 280 Ca -0.01 -0.45 -0.06 0.00 0.00 0.00 0.00 54.91 54.40 3ndj h ALA 280 Cb 1.09 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 3ndj h ALA 280 CO 0.09 0.66 0.11 0.93 0.00 0.00 0.00 179.25 181.04 3ndj h GLU 281 N 0.55 0.84 -0.67 0.00 5.08 -1.02 -0.74 114.58 118.61 3ndj h GLU 281 Ca 0.04 -0.21 -0.04 0.00 -1.00 0.00 0.00 59.36 58.15 3ndj h GLU 281 Cb 0.94 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 30.06 3ndj h GLU 281 CO 0.09 0.82 0.25 -0.09 -1.00 0.00 0.00 179.01 179.07 3ndj h ARG 282 N 0.73 1.02 -0.13 2.33 2.43 -1.14 -0.83 114.38 118.79 3ndj h ARG 282 Ca 0.16 -0.20 -0.11 0.00 -0.81 0.00 0.00 59.98 59.03 3ndj h ARG 282 Cb 0.36 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.74 3ndj h ARG 282 CO 0.01 0.86 -0.39 1.49 -1.51 0.00 0.00 179.97 180.43 3ndj h GLU 283 N 0.96 0.28 -0.03 0.20 4.22 -0.80 -2.59 114.58 116.82 3ndj h GLU 283 Ca 0.22 -0.13 0.00 0.00 0.08 0.00 0.00 59.36 59.53 3ndj h GLU 283 Cb 0.24 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.48 3ndj h GLU 283 CO -0.01 0.63 0.00 1.04 -2.18 0.00 0.00 179.01 178.49 3ndj n GLN 284 N -4.04 1.70 -4.06 1.92 6.02 -0.31 -4.93 117.38 113.68 3ndj n GLN 284 Ca -0.01 -1.02 -0.30 0.00 -0.01 0.00 0.00 57.00 55.66 3ndj n GLN 284 Cb 0.47 -1.47 -0.02 0.00 1.02 0.00 0.00 30.24 30.24 3ndj n GLN 284 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 3ndj n GLU 285 N 0.24 -3.47 -0.20 -1.09 1.02 -0.64 -4.86 120.64 111.63 3ndj n GLU 285 Ca 0.19 0.41 -0.01 0.00 -0.02 0.00 0.00 57.16 57.72 3ndj n GLU 285 Cb 0.36 -4.86 0.09 0.00 -0.02 0.00 0.00 31.44 27.02 3ndj n GLU 285 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 3ndj h LEU 286 N -1.73 0.30 -1.93 -4.62 5.85 -1.46 -1.93 115.31 109.79 3ndj h LEU 286 Ca -0.61 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.17 3ndj h LEU 286 Cb 1.38 0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.43 3ndj h LEU 286 CO 0.69 0.19 0.00 -1.20 -0.34 0.00 0.00 178.44 177.78 3ndj n SER 287 N -4.95 2.83 -4.77 1.25 7.64 -1.26 -4.53 113.62 109.84 3ndj n SER 287 Ca 0.08 -1.95 -0.38 0.00 1.01 0.00 0.00 58.87 57.62 3ndj n SER 287 Cb 0.23 -0.30 -0.02 0.00 -1.01 0.00 0.00 64.21 63.11 3ndj n SER 287 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3ndj s ASP 288 N -1.19 6.54 0.38 6.43 2.15 -0.73 -4.88 116.67 125.37 3ndj s ASP 288 Ca 0.36 2.36 0.07 0.00 0.43 0.00 0.00 52.55 55.77 3ndj s ASP 288 Cb 0.20 -2.62 0.80 0.00 -0.30 0.00 0.00 42.92 41.00 3ndj s ASP 288 CO 0.26 -0.67 1.98 0.24 -0.17 0.00 0.00 175.17 176.82 3ndj h MET 289 N 2.67 0.66 -0.31 4.34 2.86 -1.92 -1.30 114.93 121.93 3ndj h MET 289 Ca -0.49 -0.04 -0.05 0.00 -2.06 0.00 0.00 59.70 57.07 3ndj h MET 289 Cb 1.23 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 32.73 3ndj h MET 289 CO 0.63 0.44 -0.01 0.00 1.06 0.00 0.00 176.91 179.02 3ndj h ALA 290 N 1.64 1.40 -0.30 6.32 0.00 -1.94 0.18 119.26 126.56 3ndj h ALA 290 Ca 0.28 -0.20 -0.11 0.00 0.00 0.00 0.00 54.91 54.88 3ndj h ALA 290 Cb 0.23 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 3ndj h ALA 290 CO -0.08 0.42 -0.24 1.15 0.00 0.00 0.00 179.25 180.49 3ndj h THR 291 N 0.47 1.30 -0.20 0.00 2.02 -1.52 -1.34 112.91 113.64 3ndj h THR 291 Ca 0.10 -1.39 -0.14 0.00 0.77 0.00 0.00 66.41 65.75 3ndj h THR 291 Cb 0.32 1.52 -0.01 0.00 -1.74 0.00 0.00 68.15 68.25 3ndj h THR 291 CO 0.01 0.45 -0.46 -0.07 0.37 0.00 0.00 175.52 175.82 3ndj h LEU 292 N 0.45 0.54 -0.72 2.58 3.38 -1.05 -1.63 115.31 118.86 3ndj h LEU 292 Ca 0.06 -0.26 -0.13 0.00 0.09 0.00 0.00 57.88 57.63 3ndj h LEU 292 Cb 0.80 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 3ndj h LEU 292 CO 0.06 0.93 -0.51 0.03 0.09 0.00 0.00 178.44 179.03 3ndj h ARG 293 N 0.41 0.32 -0.62 1.13 3.08 -0.60 -1.91 114.38 116.19 3ndj h ARG 293 Ca 0.03 -0.19 -0.05 0.00 0.07 0.00 0.00 59.98 59.84 3ndj h ARG 293 Cb 0.96 0.02 -0.03 0.00 0.08 0.00 0.00 29.97 31.00 3ndj h ARG 293 CO 0.09 0.76 0.20 0.00 -1.07 0.00 0.00 179.97 179.95 3ndj h ALA 294 N 1.21 1.18 -0.30 0.04 0.00 -0.85 -0.98 119.26 119.56 3ndj h ALA 294 Ca 0.01 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.74 3ndj h ALA 294 Cb 0.99 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 3ndj h ALA 294 CO 0.08 0.57 0.17 0.35 0.00 0.00 0.00 179.25 180.43 3ndj h PHE 295 N 0.91 0.32 -0.71 0.00 3.57 -1.21 -1.13 116.94 118.70 3ndj h PHE 295 Ca 0.21 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.70 3ndj h PHE 295 Cb 0.25 -0.10 -0.03 0.00 2.79 0.00 0.00 35.95 38.85 3ndj h PHE 295 CO 0.02 0.19 0.37 0.00 -2.23 0.00 0.00 178.31 176.66 3ndj h ALA 296 N 1.13 1.33 -0.14 2.41 0.00 -0.61 -0.72 119.26 122.67 3ndj h ALA 296 Ca 0.12 -0.12 -0.12 0.00 0.00 0.00 0.00 54.91 54.79 3ndj h ALA 296 Cb 0.00 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 3ndj h ALA 296 CO -0.06 0.54 -0.46 0.78 0.00 0.00 0.00 179.25 180.06 3ndj h GLY 297 N 1.04 0.37 1.96 0.00 0.00 -0.92 -2.68 103.07 102.84 3ndj h GLY 297 Ca 0.25 -0.38 -0.06 0.00 0.00 0.00 0.00 47.33 47.14 3ndj h GLY 297 CO -0.04 0.34 -0.25 -0.57 0.00 0.00 0.00 176.54 176.03 3ndj h ASN 298 N 0.28 0.05 -0.80 0.19 -1.24 -0.48 -2.36 115.58 111.21 3ndj h ASN 298 Ca 0.02 -0.01 0.02 0.00 0.71 0.00 0.00 56.30 57.04 3ndj h ASN 298 Cb 0.92 -0.01 -0.04 0.00 0.73 0.00 0.00 38.32 39.91 3ndj h ASN 298 CO 0.08 0.30 0.52 0.58 -1.29 0.00 0.00 177.43 177.62 3ndj h VAL 299 N 0.05 1.16 -0.44 2.57 2.07 -0.83 -0.99 116.25 119.84 3ndj h VAL 299 Ca 0.01 -0.36 -0.12 0.00 0.82 0.00 0.00 66.70 67.05 3ndj h VAL 299 Cb 0.47 0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.26 3ndj h VAL 299 CO 0.03 0.19 -0.22 0.58 0.02 0.00 0.00 177.57 178.18 3ndj h VAL 300 N 1.04 1.27 -0.33 2.57 2.07 -1.18 -1.20 116.25 120.49 3ndj h VAL 300 Ca 0.31 -1.36 -0.01 0.00 0.82 0.00 0.00 66.70 66.45 3ndj h VAL 300 Cb -0.05 1.16 -0.02 0.00 -1.52 0.00 0.00 31.29 30.86 3ndj h VAL 300 CO -0.09 0.46 0.16 0.50 0.02 0.00 0.00 177.57 178.62 3ndj h LYS 301 N 0.78 0.48 -0.34 1.57 3.64 -0.99 -1.01 116.57 120.70 3ndj h LYS 301 Ca 0.10 -0.07 0.04 0.00 -1.27 0.00 0.00 60.65 59.45 3ndj h LYS 301 Cb 0.77 -0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 32.46 3ndj h LYS 301 CO 0.06 0.44 0.11 0.82 -2.27 0.00 0.00 179.45 178.61 3ndj h ILE 302 N 0.40 0.89 -0.56 2.00 2.04 -1.03 0.57 117.51 121.81 3ndj h ILE 302 Ca 0.11 -0.08 0.11 0.00 1.00 0.00 0.00 64.86 65.99 3ndj h ILE 302 Cb 0.12 0.62 -0.08 0.00 -0.74 0.00 0.00 36.82 36.74 3ndj h ILE 302 CO -0.01 0.04 0.09 -0.09 0.00 0.00 0.00 178.15 178.18 3ndj h ARG 303 N 0.25 0.21 -0.50 2.37 2.43 -0.86 0.10 114.38 118.38 3ndj h ARG 303 Ca 0.15 -0.01 -0.11 0.00 -0.81 0.00 0.00 59.98 59.20 3ndj h ARG 303 Cb 0.13 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.62 3ndj h ARG 303 CO -0.16 0.14 -0.14 -0.44 -1.51 0.00 0.00 179.97 177.85 3ndj h ASP 304 N 0.21 0.96 -0.36 -3.80 3.32 -0.55 -1.19 116.42 115.02 3ndj h ASP 304 Ca 0.29 -0.32 -0.17 0.00 0.02 0.00 0.00 57.03 56.85 3ndj h ASP 304 Cb 0.43 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 39.71 3ndj h ASP 304 CO -0.40 1.09 -0.42 -0.33 -1.72 0.00 0.00 179.24 177.46 3ndj h GLU 305 N 0.84 0.91 -0.27 3.56 5.08 -0.61 -1.58 114.58 122.51 3ndj h GLU 305 Ca 0.13 -0.51 -0.08 0.00 -1.00 0.00 0.00 59.36 57.90 3ndj h GLU 305 Cb 0.69 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.96 3ndj h GLU 305 CO 0.05 1.16 -0.14 1.25 -1.00 0.00 0.00 179.01 180.33 3ndj h LEU 306 N 0.72 0.60 -0.70 1.33 5.85 -0.51 -0.58 115.31 122.03 3ndj h LEU 306 Ca 0.05 -0.41 -0.07 0.00 0.84 0.00 0.00 57.88 58.28 3ndj h LEU 306 Cb 1.02 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.86 3ndj h LEU 306 CO 0.10 0.88 0.15 0.71 -0.34 0.00 0.00 178.44 179.95 3ndj h THR 307 N 0.32 1.26 -0.80 1.05 1.35 -1.27 -0.86 112.91 113.96 3ndj h THR 307 Ca 0.06 -1.00 -0.00 0.00 -0.55 0.00 0.00 66.41 64.92 3ndj h THR 307 Cb 0.66 0.57 -0.04 0.00 -1.73 0.00 0.00 68.15 67.61 3ndj h THR 307 CO 0.04 0.38 0.49 0.00 -0.25 0.00 0.00 175.52 176.18 3ndj h ALA 308 N 1.07 1.02 -0.17 6.62 0.00 -1.08 -0.77 119.26 125.96 3ndj h ALA 308 Ca 0.22 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 3ndj h ALA 308 Cb 0.40 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3ndj h ALA 308 CO 0.01 0.48 0.09 1.25 0.00 0.00 0.00 179.25 181.08 3ndj h LEU 309 N 1.10 0.21 -0.79 0.00 5.85 -0.81 -1.23 115.31 119.63 3ndj h LEU 309 Ca 0.29 -0.07 0.01 0.00 0.84 0.00 0.00 57.88 58.94 3ndj h LEU 309 Cb -0.05 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 40.89 3ndj h LEU 309 CO -0.05 0.22 0.52 -0.07 -0.34 0.00 0.00 178.44 178.71 3ndj h LEU 310 N 0.18 0.90 -0.70 2.25 3.38 -0.92 0.13 115.31 120.52 3ndj h LEU 310 Ca 0.06 -0.02 -0.09 0.00 0.09 0.00 0.00 57.88 57.92 3ndj h LEU 310 Cb 0.06 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 3ndj h LEU 310 CO -0.01 0.65 0.01 0.45 0.09 0.00 0.00 178.44 179.63 3ndj h HIS 311 N 1.06 1.09 -0.55 1.13 3.86 -1.10 -2.28 115.15 118.37 3ndj h HIS 311 Ca 0.29 -0.18 -0.09 0.00 -1.16 0.00 0.00 60.37 59.23 3ndj h HIS 311 Cb -0.12 -0.29 -0.02 0.00 1.06 0.00 0.00 27.41 28.04 3ndj h HIS 311 CO -0.02 0.96 -0.01 -0.09 0.86 0.00 0.00 177.93 179.64 3ndj h ARG 312 N 0.93 0.97 -0.34 2.45 2.43 -0.34 -1.55 114.38 118.94 3ndj h ARG 312 Ca 0.17 -0.31 0.03 0.00 -0.81 0.00 0.00 59.98 59.06 3ndj h ARG 312 Cb 0.52 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 29.96 3ndj h ARG 312 CO 0.03 0.98 0.15 -0.07 -1.51 0.00 0.00 179.97 179.54 3ndj h LEU 313 N 0.85 0.19 -0.80 3.80 3.38 -0.72 0.07 115.31 122.08 3ndj h LEU 313 Ca 0.15 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.14 3ndj h LEU 313 Cb 0.55 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.25 3ndj h LEU 313 CO 0.03 0.15 0.47 -0.09 0.09 0.00 0.00 178.44 179.09 3ndj h ARG 314 N 0.31 1.10 0.00 1.13 2.43 -1.24 -1.25 114.38 116.86 3ndj h ARG 314 Ca 0.15 -0.11 -0.02 0.00 -0.81 0.00 0.00 59.98 59.19 3ndj h ARG 314 Cb 0.09 -0.23 -0.00 0.00 -0.42 0.00 0.00 29.97 29.41 3ndj h ARG 314 CO -0.12 0.78 -0.09 0.00 -1.51 0.00 0.00 179.97 179.03 3ndj h ALA 315 N 1.25 1.18 -0.62 2.80 0.00 -0.27 -0.73 119.26 122.87 3ndj h ALA 315 Ca 0.29 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.11 3ndj h ALA 315 Cb -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.75 3ndj h ALA 315 CO -0.05 0.12 0.00 0.39 0.00 0.00 0.00 179.25 179.70 3ndj n GLU 316 N -3.46 2.42 -2.76 0.00 -0.58 -0.08 -4.94 120.64 111.25 3ndj n GLU 316 Ca -0.01 -2.21 -0.19 0.00 -0.42 0.00 0.00 57.16 54.32 3ndj n GLU 316 Cb 0.24 -1.48 0.02 0.00 -0.57 0.00 0.00 31.44 29.66 3ndj n GLU 316 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3ndj n GLY 317 N 1.48 -0.37 3.78 0.62 0.00 -0.28 -5.01 105.19 105.41 3ndj n GLY 317 Ca 0.21 -0.02 -0.38 0.00 0.00 0.00 0.00 46.02 45.82 3ndj n GLY 317 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ndj s ARG 318 N -5.37 4.11 0.27 1.61 1.81 -0.54 -5.03 118.95 115.81 3ndj s ARG 318 Ca 0.19 0.40 -0.18 0.00 -1.72 0.00 0.00 55.73 54.42 3ndj s ARG 318 Cb -0.08 -3.32 -0.09 0.00 -0.45 0.00 0.00 34.95 31.01 3ndj s ARG 318 CO 0.23 0.46 0.73 -1.54 -0.68 0.00 0.00 175.30 174.50 3ndj s SER 319 N -0.32 6.94 -0.03 0.23 1.04 -1.26 -4.27 113.70 116.03 3ndj s SER 319 Ca 0.24 1.37 0.01 0.00 0.48 0.00 0.00 55.95 58.04 3ndj s SER 319 Cb -0.16 -2.40 0.02 0.00 0.10 0.00 0.00 66.02 63.58 3ndj s SER 319 CO 0.11 -0.07 -0.01 -0.69 0.98 0.00 0.00 173.24 173.57 3ndj s VAL 320 N -1.72 0.20 0.45 5.02 1.01 -1.26 -1.41 120.40 122.70 3ndj s VAL 320 Ca 0.48 0.05 0.03 0.00 0.00 0.00 0.00 61.98 62.54 3ndj s VAL 320 Cb -0.14 -0.28 -0.01 0.00 0.00 0.00 0.00 36.38 35.95 3ndj s VAL 320 CO 0.19 0.14 0.10 0.68 0.00 0.00 0.00 175.10 176.21 3ndj s VAL 321 N 0.89 0.69 0.30 2.92 -7.23 -0.20 -1.31 120.40 116.46 3ndj s VAL 321 Ca -0.09 -2.00 0.10 0.00 -1.81 0.00 0.00 61.98 58.18 3ndj s VAL 321 Cb -0.12 -2.22 -0.05 0.00 0.56 0.00 0.00 36.38 34.54 3ndj s VAL 321 CO -0.01 0.00 -0.04 -0.83 -0.31 0.00 0.00 175.10 173.90 3ndj s GLY 322 N -3.71 1.87 -0.15 2.32 0.00 0.13 0.08 107.32 107.87 3ndj s GLY 322 Ca 0.16 -1.83 -0.02 0.00 0.00 0.00 0.00 44.72 43.03 3ndj s GLY 322 CO 0.11 -1.85 0.01 -0.47 0.00 0.00 0.00 173.10 170.90 3ndj s TYR 323 N -2.45 0.97 0.00 1.90 6.14 0.27 -1.38 117.35 122.80 3ndj s TYR 323 Ca 0.32 -0.64 0.00 0.00 0.64 0.00 0.00 57.07 57.39 3ndj s TYR 323 Cb -0.04 -0.98 0.00 0.00 0.42 0.00 0.00 41.96 41.37 3ndj s TYR 323 CO 0.19 -0.52 0.00 0.41 0.64 0.00 0.00 175.55 176.27 3ndj n GLY 324 N 5.07 1.20 2.48 8.97 0.00 0.03 -1.68 105.19 121.26 3ndj n GLY 324 Ca -0.09 -1.09 -0.40 0.00 0.00 0.00 0.00 46.02 44.44 3ndj n GLY 324 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ndj n ALA 325 N 2.75 6.84 -1.71 4.61 0.00 -1.25 -4.33 120.51 127.42 3ndj n ALA 325 Ca 0.00 -3.86 -0.35 0.00 0.00 0.00 0.00 53.44 49.23 3ndj n ALA 325 Cb 0.00 -3.12 0.02 0.00 0.00 0.00 0.00 19.45 16.35 3ndj n ALA 325 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3ndj s THR 326 N 0.83 2.91 0.23 0.00 -4.23 -1.26 -4.93 115.64 109.19 3ndj s THR 326 Ca 0.58 0.54 -0.07 0.00 -1.18 0.00 0.00 61.69 61.57 3ndj s THR 326 Cb 0.17 -3.18 0.19 0.00 1.34 0.00 0.00 72.50 71.01 3ndj s THR 326 CO -0.07 -0.14 1.82 0.00 -0.54 0.00 0.00 174.62 175.69 3ndj h ALA 327 N 0.87 1.07 -0.97 3.99 0.00 -1.94 -2.72 119.26 119.57 3ndj h ALA 327 Ca -0.50 0.01 0.18 0.00 0.00 0.00 0.00 54.91 54.60 3ndj h ALA 327 Cb 1.28 -0.16 -0.09 0.00 0.00 0.00 0.00 17.79 18.81 3ndj h ALA 327 CO 0.55 0.14 0.61 0.87 0.00 0.00 0.00 179.25 181.43 3ndj h LYS 328 N 0.81 0.68 0.00 0.00 1.57 -1.91 -1.68 116.57 116.04 3ndj h LYS 328 Ca 0.35 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 59.07 3ndj h LYS 328 Cb 0.23 -0.15 -0.00 0.00 0.08 0.00 0.00 32.23 32.38 3ndj h LYS 328 CO -0.20 0.45 -0.09 0.66 -0.57 0.00 0.00 179.45 179.70 3ndj h SER 329 N 0.70 0.00 -0.98 0.86 4.64 -1.75 -1.85 113.55 115.17 3ndj h SER 329 Ca 0.52 0.00 0.14 0.00 -0.47 0.00 0.00 61.79 61.98 3ndj h SER 329 Cb 0.89 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 62.90 3ndj h SER 329 CO -0.29 0.09 0.62 0.00 -0.87 0.00 0.00 176.83 176.38 3ndj h ALA 330 N 1.91 1.63 -0.62 5.18 0.00 -1.42 0.81 119.26 126.74 3ndj h ALA 330 Ca -0.00 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 3ndj h ALA 330 Cb 0.26 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 3ndj h ALA 330 CO 0.01 0.10 0.19 1.15 0.00 0.00 0.00 179.25 180.71 3ndj h THR 331 N 0.88 1.25 0.14 0.00 2.02 -1.50 -1.89 112.91 113.81 3ndj h THR 331 Ca 0.50 -0.85 -0.01 0.00 0.77 0.00 0.00 66.41 66.83 3ndj h THR 331 Cb 0.62 0.62 0.00 0.00 -1.74 0.00 0.00 68.15 67.65 3ndj h THR 331 CO -0.27 0.32 -0.07 0.58 0.37 0.00 0.00 175.52 176.45 3ndj h VAL 332 N 0.90 0.95 -0.12 3.16 2.07 -1.33 -0.09 116.25 121.78 3ndj h VAL 332 Ca 0.20 -0.41 -0.20 0.00 0.82 0.00 0.00 66.70 67.11 3ndj h VAL 332 Cb 0.30 1.21 0.00 0.00 -1.52 0.00 0.00 31.29 31.27 3ndj h VAL 332 CO -0.01 0.10 -0.74 0.71 0.02 0.00 0.00 177.57 177.65 3ndj h THR 333 N -0.38 1.33 0.08 2.57 1.35 -0.87 -0.63 112.91 116.36 3ndj h THR 333 Ca -0.02 -2.05 -0.29 0.00 -0.55 0.00 0.00 66.41 63.51 3ndj h THR 333 Cb 0.31 2.03 0.03 0.00 -1.73 0.00 0.00 68.15 68.78 3ndj h THR 333 CO 0.03 0.63 -1.17 0.78 -0.25 0.00 0.00 175.52 175.54 3ndj h ASN 334 N 0.40 0.87 -0.58 5.36 2.35 -1.39 0.12 115.58 122.71 3ndj h ASN 334 Ca -0.04 -0.76 -0.08 0.00 -0.55 0.00 0.00 56.30 54.87 3ndj h ASN 334 Cb 1.34 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 39.42 3ndj h ASN 334 CO 0.14 1.57 0.05 0.15 -1.65 0.00 0.00 177.43 177.69 3ndj h PHE 335 N 0.31 1.09 0.00 1.19 3.57 -1.02 -3.23 116.94 118.85 3ndj h PHE 335 Ca -0.16 -0.16 0.00 0.00 3.53 0.00 0.00 57.97 61.18 3ndj h PHE 335 Cb 1.84 -0.30 0.00 0.00 2.79 0.00 0.00 35.95 40.28 3ndj h PHE 335 CO 0.11 0.94 -0.47 0.00 -2.23 0.00 0.00 178.31 176.65 3ndj n GLY 337 N 1.39 0.48 3.41 0.00 0.00 -0.33 -4.93 105.19 105.22 3ndj n GLY 337 Ca 0.04 -0.42 -0.38 0.00 0.00 0.00 0.00 46.02 45.27 3ndj n GLY 337 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ndj s ILE 338 N -3.08 4.39 0.00 -0.61 1.01 0.27 -5.04 121.20 118.15 3ndj s ILE 338 Ca 0.10 -0.47 0.00 0.00 0.00 0.00 0.00 60.65 60.28 3ndj s ILE 338 Cb -0.04 -3.23 0.00 0.00 0.01 0.00 0.00 42.46 39.20 3ndj s ILE 338 CO 0.18 0.10 0.00 0.61 0.00 0.00 0.00 174.94 175.83 3ndj n GLY 339 N 4.94 5.80 0.29 6.18 0.00 -1.26 -4.70 105.19 116.44 3ndj n GLY 339 Ca -0.14 -1.75 0.19 0.00 0.00 0.00 0.00 46.02 44.31 3ndj n GLY 339 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3ndj h PRO 340 N 0.00 0.00 0.00 1.61 0.13 -1.76 0.47 132.00 132.45 3ndj h PRO 340 Ca 0.00 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.13 3ndj h PRO 340 Cb 0.00 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.13 3ndj h PRO 340 CO 0.00 0.00 -0.01 -0.44 -0.23 0.00 0.00 178.00 177.32 3ndj h ASP 341 N 0.00 0.00 0.00 1.44 3.32 -1.96 -3.29 116.42 115.93 3ndj h ASP 341 Ca 0.00 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 56.91 3ndj h ASP 341 Cb 0.35 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.88 3ndj h ASP 341 CO 0.00 0.01 -1.59 0.18 -1.72 0.00 0.00 179.24 176.12 3ndj n LEU 342 N -3.22 0.00 -3.64 1.55 4.77 0.08 -4.93 117.00 111.61 3ndj n LEU 342 Ca -0.02 0.00 -0.28 0.00 -0.03 0.00 0.00 56.01 55.68 3ndj n LEU 342 Cb 0.12 0.19 -0.16 0.00 -2.33 0.00 0.00 43.42 41.24 3ndj n LEU 342 CO 0.23 0.19 -0.34 -0.69 -1.33 0.00 0.00 177.39 175.45 3ndj s VAL 343 N -2.29 0.20 0.12 4.08 1.01 -0.73 -4.55 120.40 118.23 3ndj s VAL 343 Ca -0.04 -0.56 0.09 0.00 0.00 0.00 0.00 61.98 61.47 3ndj s VAL 343 Cb 0.03 -0.92 -0.13 0.00 0.00 0.00 0.00 36.38 35.36 3ndj s VAL 343 CO 0.37 -0.41 1.38 1.12 0.00 0.00 0.00 175.10 177.56 3ndj h HIS 344 N 8.33 0.00 -3.59 5.22 2.07 -1.29 -3.33 115.15 122.55 3ndj h HIS 344 Ca -0.16 0.00 -0.07 0.00 -2.85 0.00 0.00 60.37 57.28 3ndj h HIS 344 Cb 1.09 0.00 -0.14 0.00 2.57 0.00 0.00 27.41 30.94 3ndj h HIS 344 CO 0.25 0.84 -0.23 -1.12 -3.07 0.00 0.00 177.93 174.59 3ndj s SER 345 N -6.69 -0.05 -0.08 3.10 0.01 -1.26 -4.15 113.70 104.57 3ndj s SER 345 Ca 0.01 -0.48 0.04 0.00 1.31 0.00 0.00 55.95 56.83 3ndj s SER 345 Cb 0.10 0.40 0.00 0.00 0.21 0.00 0.00 66.02 66.73 3ndj s SER 345 CO 0.79 -0.77 -0.20 -0.69 0.41 0.00 0.00 173.24 172.78 3ndj s VAL 346 N -3.74 1.72 -0.12 3.43 1.01 0.19 0.19 120.40 123.08 3ndj s VAL 346 Ca 0.03 -0.83 -0.10 0.00 0.00 0.00 0.00 61.98 61.08 3ndj s VAL 346 Cb 0.03 -1.50 -0.05 0.00 0.00 0.00 0.00 36.38 34.86 3ndj s VAL 346 CO -0.11 0.49 0.22 -0.31 0.00 0.00 0.00 175.10 175.38 3ndj s TYR 347 N 0.38 3.57 -0.17 5.22 2.02 -0.48 -0.54 117.35 127.35 3ndj s TYR 347 Ca -0.15 0.60 -0.25 0.00 -0.37 0.00 0.00 57.07 56.89 3ndj s TYR 347 Cb -0.17 -2.12 0.06 0.00 -0.40 0.00 0.00 41.96 39.34 3ndj s TYR 347 CO 0.06 0.56 0.65 0.34 -1.57 0.00 0.00 175.55 175.59 3ndj s ASP 348 N -0.54 -0.65 0.00 2.29 2.15 -0.26 -0.79 116.67 118.87 3ndj s ASP 348 Ca 0.16 1.07 0.29 0.00 0.43 0.00 0.00 52.55 54.49 3ndj s ASP 348 Cb -0.13 1.03 1.25 0.00 -0.30 0.00 0.00 42.92 44.77 3ndj s ASP 348 CO 0.05 -0.37 1.86 0.35 -0.17 0.00 0.00 175.17 176.89 3ndj n THR 349 N 2.05 0.00 -2.95 1.71 -2.24 -1.26 -1.99 114.28 109.60 3ndj n THR 349 Ca -0.16 -0.14 -0.42 0.00 -2.27 0.00 0.00 64.05 61.06 3ndj n THR 349 Cb 0.56 0.13 -0.05 0.00 -2.10 0.00 0.00 70.33 68.86 3ndj n THR 349 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3ndj s THR 350 N -2.17 4.72 0.27 4.28 2.01 -1.26 -4.95 115.64 118.53 3ndj s THR 350 Ca 0.36 0.86 -0.02 0.00 0.31 0.00 0.00 61.69 63.20 3ndj s THR 350 Cb 0.21 -4.23 0.27 0.00 0.01 0.00 0.00 72.50 68.76 3ndj s THR 350 CO 0.40 -0.47 1.86 -0.65 -0.69 0.00 0.00 174.62 175.07 3ndj h PRO 351 N 8.53 1.06 0.00 4.92 0.11 -1.95 -0.95 132.00 143.72 3ndj h PRO 351 Ca -0.25 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.80 3ndj h PRO 351 Cb 1.09 -0.24 0.00 0.00 0.11 0.00 0.00 31.00 31.96 3ndj h PRO 351 CO 0.92 0.70 0.00 -0.25 -0.21 0.00 0.00 178.00 179.16 3ndj n ASP 352 N -4.55 0.49 -0.01 -2.05 8.00 -1.26 -2.12 116.55 115.05 3ndj n ASP 352 Ca 0.16 0.66 0.10 0.00 0.71 0.00 0.00 54.79 56.42 3ndj n ASP 352 Cb 0.23 -0.75 -0.14 0.00 -0.02 0.00 0.00 41.12 40.44 3ndj n ASP 352 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3ndj n LYS 353 N -2.08 0.61 -2.16 -1.24 5.02 -0.40 -4.95 118.16 112.95 3ndj n LYS 353 Ca 0.01 -0.16 -0.33 0.00 -2.02 0.00 0.00 58.31 55.81 3ndj n LYS 353 Cb 0.13 -1.45 0.00 0.00 -0.02 0.00 0.00 35.03 33.70 3ndj n LYS 353 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 3ndj s GLN 354 N -3.28 3.36 -1.75 1.97 -0.21 -0.90 -3.20 119.66 115.65 3ndj s GLN 354 Ca -0.06 1.34 -0.01 0.00 0.02 0.00 0.00 55.36 56.65 3ndj s GLN 354 Cb 0.12 -2.03 0.00 0.00 1.00 0.00 0.00 33.01 32.11 3ndj s GLN 354 CO 0.80 -0.79 0.09 0.09 -2.12 0.00 0.00 175.29 173.35 3ndj n ASN 355 N -1.71 -5.95 -3.93 5.90 3.02 0.64 -4.97 115.26 108.26 3ndj n ASN 355 Ca 0.10 -0.06 -0.24 0.00 -0.03 0.00 0.00 54.58 54.34 3ndj n ASN 355 Cb 0.52 -4.93 -0.08 0.00 -0.61 0.00 0.00 39.78 34.68 3ndj n ASN 355 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 3ndj s ARG 356 N -5.15 1.91 -0.02 3.52 0.52 -1.20 -4.46 118.95 114.07 3ndj s ARG 356 Ca 0.05 -2.16 0.05 0.00 -0.52 0.00 0.00 55.73 53.15 3ndj s ARG 356 Cb -0.02 -0.39 -0.03 0.00 0.52 0.00 0.00 34.95 35.04 3ndj s ARG 356 CO 0.06 -0.53 -0.17 -0.51 0.02 0.00 0.00 175.30 174.16 3ndj s LEU 357 N -3.56 2.60 0.63 2.53 1.43 0.22 -0.22 118.68 122.32 3ndj s LEU 357 Ca 0.27 -0.30 -0.18 0.00 -1.03 0.00 0.00 54.13 52.89 3ndj s LEU 357 Cb 0.02 -1.52 -0.02 0.00 0.03 0.00 0.00 46.19 44.71 3ndj s LEU 357 CO 0.17 0.32 1.25 0.42 0.23 0.00 0.00 176.35 178.74 3ndj s THR 358 N -0.77 2.31 0.21 5.49 -4.23 0.04 -2.66 115.64 116.04 3ndj s THR 358 Ca 0.12 0.19 -0.30 0.00 -1.18 0.00 0.00 61.69 60.52 3ndj s THR 358 Cb -0.10 -3.04 -0.10 0.00 1.34 0.00 0.00 72.50 70.60 3ndj s THR 358 CO 0.02 -0.05 1.45 -2.16 -0.54 0.00 0.00 174.62 173.34 3ndj s PRO 359 N -3.42 4.27 0.00 3.99 0.04 -1.25 -1.43 135.00 137.21 3ndj s PRO 359 Ca 0.80 2.27 0.00 0.00 0.04 0.00 0.00 61.00 64.10 3ndj s PRO 359 Cb -0.34 -3.14 0.00 0.00 0.04 0.00 0.00 34.50 31.06 3ndj s PRO 359 CO 0.38 -0.44 0.00 0.41 0.04 0.00 0.00 177.00 177.38 3ndj n GLY 360 N 2.64 1.58 0.10 0.56 0.00 -1.26 -4.35 105.19 104.46 3ndj n GLY 360 Ca 0.09 -0.05 0.01 0.00 0.00 0.00 0.00 46.02 46.07 3ndj n GLY 360 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ndj h ALA 361 N 0.00 0.64 -1.64 4.61 0.00 -1.88 -3.49 119.26 117.50 3ndj h ALA 361 Ca 0.00 -0.75 -0.16 0.00 0.00 0.00 0.00 54.91 54.01 3ndj h ALA 361 Cb 0.00 0.24 0.01 0.00 0.00 0.00 0.00 17.79 18.04 3ndj h ALA 361 CO 0.00 0.81 -0.22 0.72 0.00 0.00 0.00 179.25 180.56 3ndj n HIS 362 N -2.88 -0.59 -2.72 0.00 -0.00 -0.51 -4.36 115.22 104.15 3ndj n HIS 362 Ca -0.08 0.11 -0.41 0.00 -0.00 0.00 0.00 57.72 57.34 3ndj n HIS 362 Cb 0.81 -2.26 -0.04 0.00 -0.00 0.00 0.00 29.99 28.50 3ndj n HIS 362 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.34 176.76 3ndj s ILE 363 N -2.61 4.63 0.31 1.59 1.01 -1.26 -4.62 121.20 120.25 3ndj s ILE 363 Ca 0.07 2.07 -0.29 0.00 0.00 0.00 0.00 60.65 62.49 3ndj s ILE 363 Cb -0.03 -4.32 -0.10 0.00 0.01 0.00 0.00 42.46 38.02 3ndj s ILE 363 CO 0.08 0.26 1.38 -2.84 0.00 0.00 0.00 174.94 173.83 3ndj s PRO 364 N 0.35 4.28 -0.19 2.79 0.02 -1.26 -0.78 135.00 140.21 3ndj s PRO 364 Ca 0.49 2.31 -0.09 0.00 0.02 0.00 0.00 61.00 63.73 3ndj s PRO 364 Cb -0.22 -3.06 -0.05 0.00 0.02 0.00 0.00 34.50 31.19 3ndj s PRO 364 CO 0.29 -0.33 0.09 0.08 -0.33 0.00 0.00 177.00 176.81 3ndj s VAL 365 N -0.78 5.08 0.16 3.83 1.01 0.69 -0.64 120.40 129.75 3ndj s VAL 365 Ca 0.53 0.07 0.07 0.00 0.00 0.00 0.00 61.98 62.65 3ndj s VAL 365 Cb -0.42 -3.30 -0.04 0.00 0.00 0.00 0.00 36.38 32.62 3ndj s VAL 365 CO 0.52 0.45 -0.15 -0.13 0.00 0.00 0.00 175.10 175.79 3ndj s ARG 366 N 0.39 1.18 0.46 2.72 1.81 0.30 -0.26 118.95 125.55 3ndj s ARG 366 Ca 0.05 -1.40 -0.25 0.00 -1.72 0.00 0.00 55.73 52.42 3ndj s ARG 366 Cb -0.12 -1.05 -0.08 0.00 -0.45 0.00 0.00 34.95 33.25 3ndj s ARG 366 CO -0.01 0.19 1.43 -2.14 -0.68 0.00 0.00 175.30 174.10 3ndj s PRO 367 N -3.06 3.61 0.55 3.54 0.02 -1.26 -1.11 135.00 137.29 3ndj s PRO 367 Ca 0.15 2.42 0.24 0.00 0.02 0.00 0.00 61.00 63.83 3ndj s PRO 367 Cb -0.03 -2.61 1.45 0.00 0.02 0.00 0.00 34.50 33.33 3ndj s PRO 367 CO 0.05 -0.88 2.09 0.00 -0.33 0.00 0.00 177.00 177.93 3ndj h ALA 368 N 2.22 2.10 0.00 -1.55 0.00 -1.70 0.13 119.26 120.46 3ndj h ALA 368 Ca -0.51 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.39 3ndj h ALA 368 Cb 1.27 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.08 3ndj h ALA 368 CO 0.61 -0.31 0.00 0.66 0.00 0.00 0.00 179.25 180.20 3ndj h SER 369 N 0.00 0.00 0.69 0.00 4.64 -1.89 -1.52 113.55 115.46 3ndj h SER 369 Ca 0.11 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 3ndj h SER 369 Cb 0.50 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.59 3ndj h SER 369 CO -0.00 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.96 3ndj n ALA 370 N -2.03 2.21 -2.92 5.18 0.00 0.03 -4.58 120.51 118.40 3ndj n ALA 370 Ca -0.02 -0.10 -0.44 0.00 0.00 0.00 0.00 53.44 52.88 3ndj n ALA 370 Cb 0.09 -1.41 -0.04 0.00 0.00 0.00 0.00 19.45 18.09 3ndj n ALA 370 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 3ndj s PHE 371 N -2.80 2.83 0.18 0.00 5.36 -0.57 -4.93 117.98 118.03 3ndj s PHE 371 Ca 0.18 -0.80 -0.24 0.00 -0.96 0.00 0.00 56.93 55.11 3ndj s PHE 371 Cb 0.17 -4.23 0.05 0.00 -0.34 0.00 0.00 43.02 38.67 3ndj s PHE 371 CO 0.43 -1.55 0.85 -1.54 -1.46 0.00 0.00 175.22 171.95 3ndj s SER 372 N 3.66 -0.25 0.23 6.13 1.04 -1.26 -5.05 113.70 118.19 3ndj s SER 372 Ca 0.22 -0.40 -0.32 0.00 0.48 0.00 0.00 55.95 55.94 3ndj s SER 372 Cb -0.16 0.56 -0.12 0.00 0.10 0.00 0.00 66.02 66.40 3ndj s SER 372 CO 0.06 -1.02 1.70 -0.62 0.98 0.00 0.00 173.24 174.33 3ndj s ASP 373 N -2.87 6.37 -0.23 7.02 2.15 -1.26 -2.76 116.67 125.09 3ndj s ASP 373 Ca 0.10 2.89 -0.29 0.00 0.43 0.00 0.00 52.55 55.68 3ndj s ASP 373 Cb -0.03 -2.61 -0.00 0.00 -0.30 0.00 0.00 42.92 39.98 3ndj s ASP 373 CO 0.01 -0.96 1.25 -2.16 -0.17 0.00 0.00 175.17 173.14 3ndj s PRO 374 N 0.79 4.10 0.60 4.34 0.04 -1.26 -5.16 135.00 138.45 3ndj s PRO 374 Ca 0.72 1.44 -0.17 0.00 0.04 0.00 0.00 61.00 63.03 3ndj s PRO 374 Cb -0.49 -3.80 -0.03 0.00 0.04 0.00 0.00 34.50 30.22 3ndj s PRO 374 CO 0.36 -0.88 1.11 0.71 0.04 0.00 0.00 177.00 178.34 3ndj s TYR 375 N 3.84 2.69 0.92 0.56 2.02 -1.11 -5.06 117.35 121.21 3ndj s TYR 375 Ca 0.54 1.55 -0.12 0.00 -0.37 0.00 0.00 57.07 58.67 3ndj s TYR 375 Cb -0.19 -3.19 0.14 0.00 -0.40 0.00 0.00 41.96 38.32 3ndj s TYR 375 CO 0.17 -1.55 1.09 -1.25 -1.57 0.00 0.00 175.55 172.44 3ndj s PRO 376 N -3.75 1.06 0.22 -1.71 0.04 -1.26 -4.98 135.00 124.62 3ndj s PRO 376 Ca 0.69 0.73 -0.02 0.00 0.04 0.00 0.00 61.00 62.43 3ndj s PRO 376 Cb -0.21 -1.79 0.20 0.00 0.04 0.00 0.00 34.50 32.73 3ndj s PRO 376 CO 0.35 -2.35 1.59 -0.44 0.04 0.00 0.00 177.00 176.18 3ndj h ASP 377 N -1.63 0.65 -4.68 6.66 3.32 -1.88 -3.43 116.42 115.43 3ndj h ASP 377 Ca -0.51 -0.28 -0.19 0.00 0.02 0.00 0.00 57.03 56.07 3ndj h ASP 377 Cb 1.30 -0.18 -0.23 0.00 0.22 0.00 0.00 39.33 40.44 3ndj h ASP 377 CO 0.56 0.96 -0.71 -0.31 -1.72 0.00 0.00 179.24 178.02 3ndj s TYR 378 N -4.31 0.23 -0.17 4.55 2.02 -0.50 -1.87 117.35 117.31 3ndj s TYR 378 Ca -0.08 -0.41 -0.00 0.00 -0.37 0.00 0.00 57.07 56.21 3ndj s TYR 378 Cb 0.12 -0.16 0.04 0.00 -0.40 0.00 0.00 41.96 41.56 3ndj s TYR 378 CO 0.83 -0.14 -0.06 0.00 -1.57 0.00 0.00 175.55 174.61 3ndj s ALA 379 N -1.11 1.53 -0.22 3.71 0.00 -0.01 -1.03 121.76 124.62 3ndj s ALA 379 Ca -0.12 -0.87 -0.29 0.00 0.00 0.00 0.00 51.96 50.68 3ndj s ALA 379 Cb -0.08 -1.14 -0.02 0.00 0.00 0.00 0.00 23.12 21.88 3ndj s ALA 379 CO -0.01 -0.79 1.54 -1.17 0.00 0.00 0.00 175.76 175.33 3ndj s LEU 380 N 1.61 3.94 -0.94 0.00 2.96 0.11 -0.71 118.68 125.65 3ndj s LEU 380 Ca 0.00 1.59 -0.19 0.00 -0.22 0.00 0.00 54.13 55.32 3ndj s LEU 380 Cb -0.15 -3.53 0.13 0.00 0.50 0.00 0.00 46.19 43.13 3ndj s LEU 380 CO -0.08 -1.17 1.15 -0.22 -1.32 0.00 0.00 176.35 174.71 3ndj s LEU 381 N 4.86 4.99 0.11 -0.68 2.96 -0.21 -0.57 118.68 130.14 3ndj s LEU 381 Ca 0.68 -2.05 -0.12 0.00 -0.22 0.00 0.00 54.13 52.42 3ndj s LEU 381 Cb -0.24 -2.41 -0.12 0.00 0.50 0.00 0.00 46.19 43.92 3ndj s LEU 381 CO 0.27 -1.07 1.35 -0.26 -1.32 0.00 0.00 176.35 175.32 3ndj h PHE 382 N 8.83 1.10 0.00 5.38 0.04 -1.57 -3.21 116.94 127.50 3ndj h PHE 382 Ca 0.16 -0.44 -0.33 0.00 2.80 0.00 0.00 57.97 60.17 3ndj h PHE 382 Cb 1.02 -0.19 -0.04 0.00 2.20 0.00 0.00 35.95 38.94 3ndj h PHE 382 CO 1.17 1.27 0.88 0.00 -0.60 0.00 0.00 178.31 181.03 3ndj n ALA 383 N -2.59 6.62 0.26 2.45 0.00 -0.77 -4.60 120.51 121.88 3ndj n ALA 383 Ca -0.06 -2.29 0.16 0.00 0.00 0.00 0.00 53.44 51.25 3ndj n ALA 383 Cb 0.69 -2.63 0.61 0.00 0.00 0.00 0.00 19.45 18.11 3ndj n ALA 383 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 177.50 177.61 3ndj h TRP 384 N 3.67 0.00 0.00 0.00 5.08 -1.87 -0.89 115.95 121.94 3ndj h TRP 384 Ca 0.39 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.36 3ndj h TRP 384 Cb 1.12 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.28 3ndj h TRP 384 CO 1.81 0.04 0.00 0.27 -1.28 0.00 0.00 178.44 179.28 3ndj n ASN 385 N -3.14 0.00 -0.55 0.11 6.94 -1.26 -2.31 115.26 115.05 3ndj n ASN 385 Ca 0.01 0.47 0.09 0.00 -0.02 0.00 0.00 54.58 55.13 3ndj n ASN 385 Cb 0.34 -0.49 0.21 0.00 -2.36 0.00 0.00 39.78 37.48 3ndj n ASN 385 CO 0.00 0.00 0.00 1.41 -1.03 0.00 0.00 177.26 177.64 3ndj n HIS 386 N -1.49 0.53 -0.16 -2.53 8.25 -0.34 -4.56 115.22 114.92 3ndj n HIS 386 Ca 0.04 -0.98 -0.02 0.00 -0.26 0.00 0.00 57.72 56.50 3ndj n HIS 386 Cb 0.17 -0.25 0.06 0.00 1.12 0.00 0.00 29.99 31.09 3ndj n HIS 386 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3ndj h ALA 387 N 0.98 0.51 -0.25 -1.41 0.00 -1.44 -0.64 119.26 117.01 3ndj h ALA 387 Ca 0.01 0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 3ndj h ALA 387 Cb 1.26 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 19.23 3ndj h ALA 387 CO 0.13 -0.35 0.09 1.49 0.00 0.00 0.00 179.25 180.61 3ndj h GLU 388 N 0.17 0.39 -0.24 0.00 4.81 -1.88 0.16 114.58 117.99 3ndj h GLU 388 Ca 0.25 -0.08 -0.00 0.00 -0.13 0.00 0.00 59.36 59.40 3ndj h GLU 388 Cb 0.36 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.67 3ndj h GLU 388 CO -0.37 0.44 0.13 1.49 -0.73 0.00 0.00 179.01 179.98 3ndj h GLU 389 N 0.25 0.34 0.10 1.92 4.81 -1.86 -0.23 114.58 119.91 3ndj h GLU 389 Ca 0.08 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.27 3ndj h GLU 389 Cb 0.21 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.52 3ndj h GLU 389 CO -0.00 0.30 -0.05 0.82 -0.73 0.00 0.00 179.01 179.35 3ndj h ILE 390 N 0.28 1.01 -0.41 2.32 2.04 -1.07 -3.02 117.51 118.67 3ndj h ILE 390 Ca 0.09 -0.41 -0.01 0.00 1.00 0.00 0.00 64.86 65.53 3ndj h ILE 390 Cb 0.07 1.27 -0.02 0.00 -0.74 0.00 0.00 36.82 37.39 3ndj h ILE 390 CO -0.01 0.10 0.20 0.24 0.00 0.00 0.00 178.15 178.68 3ndj h MET 391 N -0.32 0.56 -0.69 2.37 2.86 -0.54 -0.71 114.93 118.46 3ndj h MET 391 Ca -0.01 -0.06 0.04 0.00 -2.06 0.00 0.00 59.70 57.61 3ndj h MET 391 Cb 0.27 -0.11 -0.04 0.00 0.06 0.00 0.00 31.60 31.77 3ndj h MET 391 CO 0.02 0.43 0.45 0.00 1.06 0.00 0.00 176.91 178.87 3ndj h ALA 392 N 1.67 1.65 -0.01 6.32 0.00 -1.01 -0.76 119.26 127.13 3ndj h ALA 392 Ca 0.14 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3ndj h ALA 392 Cb 0.05 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.62 3ndj h ALA 392 CO -0.02 0.26 -0.20 1.63 0.00 0.00 0.00 179.25 180.92 3ndj n LYS 393 N -4.47 0.71 -2.45 0.00 5.02 -0.39 -4.25 118.16 112.34 3ndj n LYS 393 Ca 0.09 -0.34 -0.15 0.00 -2.02 0.00 0.00 58.31 55.89 3ndj n LYS 393 Cb 0.16 -1.49 0.03 0.00 -0.02 0.00 0.00 35.03 33.71 3ndj n LYS 393 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3ndj n GLU 394 N -0.84 2.63 0.13 1.97 -0.58 -0.31 -4.83 120.64 118.81 3ndj n GLU 394 Ca 0.13 -3.89 0.01 0.00 -0.42 0.00 0.00 57.16 52.98 3ndj n GLU 394 Cb 0.32 -1.91 0.33 0.00 -0.57 0.00 0.00 31.44 29.60 3ndj n GLU 394 CO 0.00 0.00 0.00 1.96 -0.48 0.00 0.00 177.13 178.61 3ndj h GLN 395 N 2.51 0.18 -0.86 3.49 4.20 -1.67 -3.08 115.11 119.89 3ndj h GLN 395 Ca 0.13 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.78 3ndj h GLN 395 Cb 1.29 -0.01 -0.04 0.00 0.30 0.00 0.00 27.48 29.01 3ndj h GLN 395 CO 0.56 0.45 0.55 0.93 -0.67 0.00 0.00 178.83 180.66 3ndj h GLU 396 N 0.16 1.14 -0.19 1.46 3.07 -1.91 0.11 114.58 118.42 3ndj h GLU 396 Ca 0.02 -0.08 0.02 0.00 -0.50 0.00 0.00 59.36 58.82 3ndj h GLU 396 Cb 0.59 -0.25 -0.02 0.00 -0.84 0.00 0.00 28.75 28.23 3ndj h GLU 396 CO 0.04 0.77 0.06 0.35 -1.40 0.00 0.00 179.01 178.83 3ndj h PHE 397 N 1.17 0.11 -0.25 4.33 3.04 -1.92 0.25 116.94 123.68 3ndj h PHE 397 Ca 0.31 0.01 -0.20 0.00 3.98 0.00 0.00 57.97 62.07 3ndj h PHE 397 Cb -0.11 -0.02 0.00 0.00 2.56 0.00 0.00 35.95 38.38 3ndj h PHE 397 CO 0.00 0.05 -0.61 1.25 -2.02 0.00 0.00 178.31 176.98 3ndj h HIS 398 N 0.15 1.09 -0.89 0.41 2.76 -1.51 -0.97 115.15 116.20 3ndj h HIS 398 Ca 0.08 -0.42 0.08 0.00 -2.20 0.00 0.00 60.37 57.92 3ndj h HIS 398 Cb 0.05 -0.19 -0.06 0.00 1.55 0.00 0.00 27.41 28.76 3ndj h HIS 398 CO -0.12 1.25 0.58 1.96 -1.30 0.00 0.00 177.93 180.30 3ndj h GLN 399 N 0.62 0.91 0.00 5.26 4.20 -0.66 -1.03 115.11 124.42 3ndj h GLN 399 Ca -0.01 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.65 3ndj h GLN 399 Cb 1.23 -0.21 0.00 0.00 0.30 0.00 0.00 27.48 28.80 3ndj h GLN 399 CO 0.13 0.60 0.00 0.00 -0.67 0.00 0.00 178.83 178.90 3ndj n ALA 400 N -2.40 1.66 -0.11 3.87 0.00 0.87 -4.84 120.51 119.56 3ndj n ALA 400 Ca 0.14 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.53 3ndj n ALA 400 Cb 0.26 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.50 3ndj n ALA 400 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ndj n GLY 401 N -0.19 0.55 3.77 0.00 0.00 -0.39 -5.08 105.19 103.85 3ndj n GLY 401 Ca 0.04 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.68 3ndj n GLY 401 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3ndj s GLY 402 N -1.20 2.84 0.15 -0.02 0.00 -0.40 -4.99 107.32 103.70 3ndj s GLY 402 Ca 0.00 1.04 0.06 0.00 0.00 0.00 0.00 44.72 45.83 3ndj s GLY 402 CO 0.00 1.54 -0.14 0.50 0.00 0.00 0.00 173.10 175.00 3ndj s ARG 403 N -2.55 1.12 -0.07 2.90 1.81 -0.78 -4.05 118.95 117.33 3ndj s ARG 403 Ca 0.62 -1.37 -0.13 0.00 -1.72 0.00 0.00 55.73 53.13 3ndj s ARG 403 Cb -0.32 -0.94 -0.05 0.00 -0.45 0.00 0.00 34.95 33.19 3ndj s ARG 403 CO 0.40 0.17 0.32 -1.58 -0.68 0.00 0.00 175.30 173.93 3ndj s TRP 404 N -2.51 3.63 -0.25 -0.53 0.52 -1.26 -0.83 118.94 117.71 3ndj s TRP 404 Ca 0.14 0.79 -0.09 0.00 0.02 0.00 0.00 56.10 56.96 3ndj s TRP 404 Cb -0.03 -2.22 -0.04 0.00 -1.15 0.00 0.00 33.47 30.03 3ndj s TRP 404 CO 0.04 0.56 0.12 0.42 0.02 0.00 0.00 176.95 178.11 3ndj s ILE 405 N -0.67 4.84 0.11 2.03 1.01 0.11 -1.88 121.20 126.75 3ndj s ILE 405 Ca 0.20 0.01 0.06 0.00 0.00 0.00 0.00 60.65 60.92 3ndj s ILE 405 Cb -0.15 -3.27 -0.04 0.00 0.01 0.00 0.00 42.46 39.01 3ndj s ILE 405 CO 0.09 0.32 -0.03 -0.76 0.00 0.00 0.00 174.94 174.56 3ndj s LEU 406 N 1.44 3.31 -0.01 2.97 1.43 -0.21 -1.05 118.68 126.56 3ndj s LEU 406 Ca 0.06 -0.29 0.01 0.00 -1.03 0.00 0.00 54.13 52.89 3ndj s LEU 406 Cb -0.15 -2.04 0.02 0.00 0.03 0.00 0.00 46.19 44.05 3ndj s LEU 406 CO 0.06 0.16 0.92 0.00 0.23 0.00 0.00 176.35 177.72 3ndj n TYR 407 N 0.46 0.00 -4.08 0.29 0.18 -1.25 -1.81 117.16 110.95 3ndj n TYR 407 Ca -0.11 -0.44 -0.27 0.00 1.88 0.00 0.00 57.90 58.96 3ndj n TYR 407 Cb 0.53 -0.05 -0.17 0.00 -0.38 0.00 0.00 39.34 39.27 3ndj n TYR 407 CO 0.00 0.00 0.00 0.08 -2.08 0.00 0.00 176.86 174.86 3ndj s VAL 408 N -0.93 1.10 -2.05 -3.48 1.01 -1.26 -3.70 120.40 111.10 3ndj s VAL 408 Ca 0.02 -0.37 0.28 0.00 0.00 0.00 0.00 61.98 61.91 3ndj s VAL 408 Cb 0.02 -1.08 0.49 0.00 0.00 0.00 0.00 36.38 35.80 3ndj s VAL 408 CO 0.00 0.37 1.77 -0.81 0.00 0.00 0.00 175.10 176.43 3ndj n PRO 409 N 4.65 1.15 -3.82 2.72 -0.04 -1.26 -4.96 135.00 133.44 3ndj n PRO 409 Ca -0.15 -0.58 -0.09 0.00 -0.04 0.00 0.00 63.50 62.64 3ndj n PRO 409 Cb 0.50 -1.49 -0.04 0.00 -0.04 0.00 0.00 33.50 32.43 3ndj n PRO 409 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 3ndj s GLU 410 N -2.25 1.43 -0.10 0.54 0.41 -1.24 -4.62 118.70 112.87 3ndj s GLU 410 Ca 0.33 -0.98 -0.30 0.00 -0.41 0.00 0.00 54.97 53.61 3ndj s GLU 410 Cb 0.20 0.50 -0.03 0.00 -1.78 0.00 0.00 34.13 33.03 3ndj s GLU 410 CO 0.42 -0.60 1.31 0.08 -0.49 0.00 0.00 175.26 175.98 3ndj s VAL 411 N -3.92 4.11 0.13 2.63 1.01 -1.26 -3.92 120.40 119.18 3ndj s VAL 411 Ca 0.13 1.39 -0.22 0.00 0.00 0.00 0.00 61.98 63.28 3ndj s VAL 411 Cb -0.01 -3.90 0.06 0.00 0.00 0.00 0.00 36.38 32.53 3ndj s VAL 411 CO 0.01 -0.07 0.56 -1.38 0.00 0.00 0.00 175.10 174.22 3ndj s HIS 412 N 3.02 -0.47 -0.04 5.22 -3.43 -0.75 -5.01 115.29 113.83 3ndj s HIS 412 Ca 0.58 0.31 0.06 0.00 -0.80 0.00 0.00 55.06 55.22 3ndj s HIS 412 Cb -0.25 0.47 -0.02 0.00 -1.43 0.00 0.00 32.58 31.35 3ndj s HIS 412 CO 0.20 -0.78 -0.23 0.42 -2.00 0.00 0.00 174.74 172.35 3ndj s ILE 413 N -3.47 2.28 0.00 -5.38 1.01 -1.26 -1.05 121.20 113.33 3ndj s ILE 413 Ca -0.00 -1.01 0.00 0.00 0.00 0.00 0.00 60.65 59.64 3ndj s ILE 413 Cb -0.00 -1.83 0.00 0.00 0.01 0.00 0.00 42.46 40.64 3ndj s ILE 413 CO -0.10 0.58 0.00 -2.11 0.00 0.00 0.00 174.94 173.31