#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ix6 h ARG 2 N 0.00 0.89 -0.95 2.12 9.65 -2.00 -1.32 114.38 122.77 3ix6 h ARG 2 Ca 0.00 -0.05 0.03 0.00 -1.10 0.00 0.00 59.98 58.86 3ix6 h ARG 2 Cb 0.00 -0.20 -0.05 0.00 -1.39 0.00 0.00 29.97 28.32 3ix6 h ARG 2 CO 0.00 0.59 0.62 1.15 2.80 0.00 0.00 179.97 185.13 3ix6 h THR 3 N 0.92 1.17 -0.11 0.20 2.02 -1.99 0.16 112.91 115.28 3ix6 h THR 3 Ca 0.52 -0.41 -0.03 0.00 0.77 0.00 0.00 66.41 67.26 3ix6 h THR 3 Cb 0.63 -0.14 -0.00 0.00 -1.74 0.00 0.00 68.15 66.89 3ix6 h THR 3 CO -0.30 0.22 -0.06 0.22 0.37 0.00 0.00 175.52 175.97 3ix6 h TYR 4 N 1.20 0.26 -0.74 3.16 3.20 -1.68 -2.72 116.97 119.66 3ix6 h TYR 4 Ca 0.37 -0.07 0.05 0.00 3.14 0.00 0.00 58.73 62.22 3ix6 h TYR 4 Cb -0.01 -0.06 -0.04 0.00 1.54 0.00 0.00 36.73 38.15 3ix6 h TYR 4 CO -0.01 0.58 0.49 -0.07 -1.64 0.00 0.00 178.16 177.51 3ix6 h LEU 5 N -0.14 0.74 -1.16 2.82 3.38 -0.79 -0.69 115.31 119.47 3ix6 h LEU 5 Ca 0.02 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 3ix6 h LEU 5 Cb 0.52 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.07 3ix6 h LEU 5 CO 0.02 0.49 0.40 0.44 0.09 0.00 0.00 178.44 179.89 3ix6 h ASP 6 N 0.85 0.88 0.21 -0.43 3.32 -0.68 0.43 116.42 120.99 3ix6 h ASP 6 Ca 0.30 -0.06 -0.00 0.00 0.02 0.00 0.00 57.03 57.29 3ix6 h ASP 6 Cb 0.13 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.46 3ix6 h ASP 6 CO -0.09 0.70 -0.14 0.25 -1.72 0.00 0.00 179.24 178.24 3ix6 h LEU 7 N 1.00 -0.35 -0.57 1.55 5.85 -0.81 0.15 115.31 122.12 3ix6 h LEU 7 Ca 0.26 0.02 0.03 0.00 0.84 0.00 0.00 57.88 59.03 3ix6 h LEU 7 Cb 0.01 0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.10 3ix6 h LEU 7 CO -0.04 -0.22 0.34 -0.07 -0.34 0.00 0.00 178.44 178.10 3ix6 h LEU 8 N -0.34 0.53 -0.36 2.25 3.38 -0.82 -1.85 115.31 118.11 3ix6 h LEU 8 Ca -0.02 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 3ix6 h LEU 8 Cb 0.29 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 3ix6 h LEU 8 CO 0.01 0.37 0.15 -0.61 0.09 0.00 0.00 178.44 178.45 3ix6 h GLN 9 N 0.66 0.53 -0.43 1.13 4.15 -0.77 -0.33 115.11 120.05 3ix6 h GLN 9 Ca 0.24 -0.09 -0.00 0.00 0.77 0.00 0.00 58.65 59.56 3ix6 h GLN 9 Cb 0.05 -0.09 -0.02 0.00 0.21 0.00 0.00 27.48 27.63 3ix6 h GLN 9 CO -0.11 0.50 0.26 1.25 -1.93 0.00 0.00 178.83 178.80 3ix6 h HIS 10 N 0.44 0.56 -0.13 3.99 2.76 -0.45 -0.36 115.15 121.95 3ix6 h HIS 10 Ca 0.12 0.00 -0.05 0.00 -2.20 0.00 0.00 60.37 58.24 3ix6 h HIS 10 Cb 0.16 -0.18 -0.00 0.00 1.55 0.00 0.00 27.41 28.94 3ix6 h HIS 10 CO -0.01 0.39 -0.13 0.28 -1.30 0.00 0.00 177.93 177.16 3ix6 h VAL 11 N 0.57 1.35 -0.95 5.26 2.07 -1.27 0.16 116.25 123.44 3ix6 h VAL 11 Ca 0.15 -1.28 0.10 0.00 0.82 0.00 0.00 66.70 66.49 3ix6 h VAL 11 Cb -0.01 1.90 -0.08 0.00 -1.52 0.00 0.00 31.29 31.57 3ix6 h VAL 11 CO -0.03 0.37 0.59 -0.07 0.02 0.00 0.00 177.57 178.45 3ix6 h LEU 12 N -0.06 0.87 0.00 2.57 3.38 -0.97 0.46 115.31 121.56 3ix6 h LEU 12 Ca 0.02 0.04 -0.27 0.00 0.09 0.00 0.00 57.88 57.76 3ix6 h LEU 12 Cb 0.65 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 41.23 3ix6 h LEU 12 CO 0.03 0.49 -1.55 0.44 0.09 0.00 0.00 178.44 177.94 3ix6 h ASP 13 N 0.96 0.00 0.00 -0.43 3.32 -1.00 -3.41 116.42 115.86 3ix6 h ASP 13 Ca 0.46 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.51 3ix6 h ASP 13 Cb 0.40 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.95 3ix6 h ASP 13 CO -0.25 0.99 0.00 1.41 -1.72 0.00 0.00 179.24 179.68 3ix6 n HIS 14 N -3.11 0.00 -1.28 4.55 8.25 0.55 -5.05 115.22 119.13 3ix6 n HIS 14 Ca -0.13 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.02 3ix6 n HIS 14 Cb 1.02 0.00 0.10 0.00 1.12 0.00 0.00 29.99 32.23 3ix6 n HIS 14 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 3ix6 s GLY 15 N -0.34 1.66 -0.13 -1.41 0.00 0.16 -4.91 107.32 102.35 3ix6 s GLY 15 Ca 0.00 0.19 -0.05 0.00 0.00 0.00 0.00 44.72 44.86 3ix6 s GLY 15 CO 0.00 0.56 0.07 0.14 0.00 0.00 0.00 173.10 173.87 3ix6 s VAL 16 N -2.93 4.87 -0.21 1.40 1.01 0.12 -4.67 120.40 120.00 3ix6 s VAL 16 Ca 0.61 -0.02 -0.26 0.00 0.00 0.00 0.00 61.98 62.31 3ix6 s VAL 16 Cb -0.17 -3.13 -0.01 0.00 0.00 0.00 0.00 36.38 33.08 3ix6 s VAL 16 CO 0.56 0.56 0.87 -1.81 0.00 0.00 0.00 175.10 175.27 3ix6 s ASP 17 N -0.48 6.93 -0.02 3.32 1.01 -1.26 -0.89 116.67 125.28 3ix6 s ASP 17 Ca 0.10 1.16 0.03 0.00 0.71 0.00 0.00 52.55 54.55 3ix6 s ASP 17 Cb -0.12 -2.46 -0.00 0.00 1.01 0.00 0.00 42.92 41.35 3ix6 s ASP 17 CO 0.02 -0.49 -0.10 -0.13 0.21 0.00 0.00 175.17 174.68 3ix6 s ARG 18 N 2.59 0.98 -0.07 8.23 0.52 -0.29 -5.01 118.95 125.90 3ix6 s ARG 18 Ca 0.38 -0.35 -0.14 0.00 -0.52 0.00 0.00 55.73 55.09 3ix6 s ARG 18 Cb -0.16 -0.92 -0.05 0.00 0.52 0.00 0.00 34.95 34.34 3ix6 s ARG 18 CO 0.09 0.16 0.37 -0.51 0.02 0.00 0.00 175.30 175.43 3ix6 s ASP 19 N 0.02 6.66 -0.24 0.23 1.01 -1.26 -1.60 116.67 121.49 3ix6 s ASP 19 Ca -0.01 0.78 -0.02 0.00 0.71 0.00 0.00 52.55 54.01 3ix6 s ASP 19 Cb -0.07 -2.22 -0.14 0.00 1.01 0.00 0.00 42.92 41.49 3ix6 s ASP 19 CO 0.00 0.22 -0.24 -0.90 0.21 0.00 0.00 175.17 174.46 3ix6 n ASP 20 N 2.59 2.06 -4.29 0.27 5.68 -1.26 -5.00 116.55 116.61 3ix6 n ASP 20 Ca -0.13 -0.02 -0.31 0.00 -0.50 0.00 0.00 54.79 53.83 3ix6 n ASP 20 Cb 0.52 -0.47 -0.16 0.00 -1.14 0.00 0.00 41.12 39.88 3ix6 n ASP 20 CO 0.00 0.00 0.00 -0.83 -1.33 0.00 0.00 177.20 175.04 3ix6 s GLY 25 N -6.10 1.26 0.23 6.12 0.00 -1.26 -5.35 107.32 102.23 3ix6 s GLY 25 Ca -0.33 -1.08 0.10 0.00 0.00 0.00 0.00 44.72 43.41 3ix6 s GLY 25 CO 0.52 -0.82 -0.18 -0.51 0.00 0.00 0.00 173.10 172.11 3ix6 s THR 26 N -0.45 2.13 -0.14 0.90 -4.23 -0.62 -1.75 115.64 111.49 3ix6 s THR 26 Ca 0.05 -2.25 -0.03 0.00 -1.18 0.00 0.00 61.69 58.28 3ix6 s THR 26 Cb -0.11 -2.14 -0.03 0.00 1.34 0.00 0.00 72.50 71.55 3ix6 s THR 26 CO 0.01 -0.44 -0.02 -0.60 -0.54 0.00 0.00 174.62 173.03 3ix6 s ARG 27 N -3.40 3.48 0.02 3.99 3.52 0.46 -1.14 118.95 125.88 3ix6 s ARG 27 Ca 0.25 -0.47 -0.07 0.00 -0.13 0.00 0.00 55.73 55.31 3ix6 s ARG 27 Cb -0.04 -2.90 -0.00 0.00 -1.56 0.00 0.00 34.95 30.45 3ix6 s ARG 27 CO 0.11 0.39 0.13 -1.54 -0.81 0.00 0.00 175.30 173.57 3ix6 s SER 28 N -0.02 0.09 0.26 -2.12 1.04 -0.07 -0.83 113.70 112.05 3ix6 s SER 28 Ca 0.02 -0.36 0.12 0.00 0.48 0.00 0.00 55.95 56.21 3ix6 s SER 28 Cb -0.13 0.22 -0.05 0.00 0.10 0.00 0.00 66.02 66.16 3ix6 s SER 28 CO 0.02 -0.45 -0.21 0.68 0.98 0.00 0.00 173.24 174.27 3ix6 s VAL 29 N -2.00 2.42 -0.20 5.02 -7.23 -0.47 0.13 120.40 118.07 3ix6 s VAL 29 Ca -0.10 -2.31 -0.04 0.00 -1.81 0.00 0.00 61.98 57.72 3ix6 s VAL 29 Cb -0.04 -2.25 -0.01 0.00 0.56 0.00 0.00 36.38 34.64 3ix6 s VAL 29 CO -0.01 -0.34 -0.04 0.12 -0.31 0.00 0.00 175.10 174.51 3ix6 s PHE 30 N -2.33 2.96 0.00 2.82 5.36 -1.26 -0.61 117.98 124.92 3ix6 s PHE 30 Ca 0.27 -0.79 0.00 0.00 -0.96 0.00 0.00 56.93 55.46 3ix6 s PHE 30 Cb -0.06 -2.07 0.00 0.00 -0.34 0.00 0.00 43.02 40.56 3ix6 s PHE 30 CO 0.13 -0.43 0.00 0.41 -1.46 0.00 0.00 175.22 173.87 3ix6 n GLY 31 N 4.51 -1.86 3.37 13.12 0.00 0.62 -5.00 105.19 119.94 3ix6 n GLY 31 Ca -0.18 -0.78 -0.14 0.00 0.00 0.00 0.00 46.02 44.92 3ix6 n GLY 31 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3ix6 s TYR 32 N 0.00 -0.37 -0.12 1.61 5.04 -0.91 -4.97 117.35 117.63 3ix6 s TYR 32 Ca 0.00 0.46 -0.06 0.00 -2.44 0.00 0.00 57.07 55.03 3ix6 s TYR 32 Cb 0.00 0.28 0.05 0.00 0.35 0.00 0.00 41.96 42.64 3ix6 s TYR 32 CO 0.00 -0.58 0.29 -1.14 -1.34 0.00 0.00 175.55 172.78 3ix6 s GLN 33 N -2.11 0.25 0.04 4.97 0.74 -1.26 -0.98 119.66 121.31 3ix6 s GLN 33 Ca -0.07 0.61 0.08 0.00 0.05 0.00 0.00 55.36 56.02 3ix6 s GLN 33 Cb -0.01 -0.09 -0.03 0.00 1.10 0.00 0.00 33.01 33.98 3ix6 s GLN 33 CO 0.01 -0.17 -0.22 -1.64 -0.55 0.00 0.00 175.29 172.72 3ix6 s MET 34 N 1.35 1.50 -0.04 1.67 -1.94 -0.41 -4.96 119.30 116.47 3ix6 s MET 34 Ca -0.09 -0.98 0.04 0.00 -1.71 0.00 0.00 55.69 52.95 3ix6 s MET 34 Cb -0.10 -1.63 -0.03 0.00 2.01 0.00 0.00 34.83 35.08 3ix6 s MET 34 CO -0.10 0.42 -0.15 1.03 -0.01 0.00 0.00 175.02 176.21 3ix6 s ARG 35 N -1.18 2.43 -0.09 2.03 0.52 -1.26 -0.35 118.95 121.04 3ix6 s ARG 35 Ca 0.09 -0.74 -0.01 0.00 -0.52 0.00 0.00 55.73 54.54 3ix6 s ARG 35 Cb -0.09 -2.33 0.03 0.00 0.52 0.00 0.00 34.95 33.07 3ix6 s ARG 35 CO 0.02 0.61 -0.04 -0.06 0.02 0.00 0.00 175.30 175.85 3ix6 s PHE 36 N -0.75 1.09 -0.50 -0.53 0.08 -0.23 -4.95 117.98 112.19 3ix6 s PHE 36 Ca 0.12 -0.46 -0.29 0.00 0.12 0.00 0.00 56.93 56.42 3ix6 s PHE 36 Cb -0.11 -1.02 0.03 0.00 -0.57 0.00 0.00 43.02 41.36 3ix6 s PHE 36 CO 0.01 -0.42 1.14 0.34 -0.10 0.00 0.00 175.22 176.19 3ix6 s ASP 37 N 1.79 6.59 0.23 1.36 -1.08 -1.26 -0.37 116.67 123.92 3ix6 s ASP 37 Ca 0.04 0.37 0.23 0.00 -0.52 0.00 0.00 52.55 52.67 3ix6 s ASP 37 Cb -0.12 -2.54 0.94 0.00 -1.46 0.00 0.00 42.92 39.73 3ix6 s ASP 37 CO -0.06 -1.29 1.70 0.18 0.52 0.00 0.00 175.17 176.21 3ix6 n LEU 38 N 7.92 0.62 0.11 -1.34 4.77 -0.25 -1.58 117.00 127.24 3ix6 n LEU 38 Ca 0.11 0.64 0.13 0.00 -0.03 0.00 0.00 56.01 56.86 3ix6 n LEU 38 Cb 0.49 -0.55 0.44 0.00 -2.33 0.00 0.00 43.42 41.48 3ix6 n LEU 38 CO 0.71 -0.50 0.88 1.21 -1.33 0.00 0.00 177.39 178.36 3ix6 n GLU 39 N -2.17 0.22 0.05 3.23 4.07 -1.26 -3.07 120.64 121.72 3ix6 n GLU 39 Ca 0.03 0.27 0.13 0.00 -0.06 0.00 0.00 57.16 57.53 3ix6 n GLU 39 Cb 0.24 -1.80 0.50 0.00 -0.06 0.00 0.00 31.44 30.32 3ix6 n GLU 39 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 3ix6 n GLU 40 N -2.20 0.13 0.00 5.31 -0.58 -0.61 -5.00 120.64 117.69 3ix6 n GLU 40 Ca 0.04 0.13 0.00 0.00 -0.42 0.00 0.00 57.16 56.91 3ix6 n GLU 40 Cb 0.35 -1.66 0.00 0.00 -0.57 0.00 0.00 31.44 29.56 3ix6 n GLU 40 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3ix6 n GLY 41 N 1.27 2.76 3.68 0.62 0.00 -1.17 -4.64 105.19 107.71 3ix6 n GLY 41 Ca 0.06 -1.87 -0.42 0.00 0.00 0.00 0.00 46.02 43.79 3ix6 n GLY 41 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3ix6 s PHE 42 N -1.86 3.20 -1.29 1.61 5.36 0.67 -4.59 117.98 121.09 3ix6 s PHE 42 Ca 0.00 1.25 -0.18 0.00 -0.96 0.00 0.00 56.93 57.03 3ix6 s PHE 42 Cb 0.00 -3.40 0.03 0.00 -0.34 0.00 0.00 43.02 39.32 3ix6 s PHE 42 CO 0.00 -1.19 1.85 -0.35 -1.46 0.00 0.00 175.22 174.06 3ix6 n PRO 43 N 5.37 2.83 -3.72 10.12 -0.04 -1.26 -4.26 135.00 144.04 3ix6 n PRO 43 Ca 0.11 -3.01 -0.38 0.00 -0.04 0.00 0.00 63.50 60.19 3ix6 n PRO 43 Cb 0.46 -3.49 -0.12 0.00 -0.04 0.00 0.00 33.50 30.31 3ix6 n PRO 43 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3ix6 s VAL 44 N 5.22 4.13 -0.45 0.52 1.01 -1.26 -4.40 120.40 125.17 3ix6 s VAL 44 Ca 0.55 -0.71 0.09 0.00 0.00 0.00 0.00 61.98 61.92 3ix6 s VAL 44 Cb 0.05 -3.17 0.36 0.00 0.00 0.00 0.00 36.38 33.63 3ix6 s VAL 44 CO 0.07 0.01 0.87 0.18 0.00 0.00 0.00 175.10 176.23 3ix6 n LEU 45 N 4.90 2.57 -4.76 3.92 4.77 -1.26 -4.91 117.00 122.22 3ix6 n LEU 45 Ca -0.14 -5.14 -0.41 0.00 -0.03 0.00 0.00 56.01 50.29 3ix6 n LEU 45 Cb 0.48 0.12 -0.01 0.00 -2.33 0.00 0.00 43.42 41.67 3ix6 n LEU 45 CO 0.32 2.24 1.14 -0.75 -1.33 0.00 0.00 177.39 179.01 3ix6 s LYS 49 N -2.98 4.17 -0.01 3.23 2.47 -1.26 -4.91 119.74 120.45 3ix6 s LYS 49 Ca 0.43 2.49 0.01 0.00 -1.56 0.00 0.00 55.97 57.33 3ix6 s LYS 49 Cb 0.34 -3.02 0.00 0.00 -1.46 0.00 0.00 37.83 33.69 3ix6 s LYS 49 CO -0.10 -0.50 -0.04 -0.48 0.16 0.00 0.00 175.35 174.39 3ix6 s LEU 50 N -1.32 1.90 -0.49 5.43 0.05 -1.26 -5.12 118.68 117.88 3ix6 s LEU 50 Ca 0.56 -0.07 -0.21 0.00 0.05 0.00 0.00 54.13 54.46 3ix6 s LEU 50 Cb -0.45 -0.22 0.04 0.00 -2.05 0.00 0.00 46.19 43.51 3ix6 s LEU 50 CO 0.54 0.03 0.71 -1.00 -0.55 0.00 0.00 176.35 176.09 3ix6 s HIS 51 N 0.05 2.99 -0.07 3.48 3.76 -1.26 -4.91 115.29 119.33 3ix6 s HIS 51 Ca -0.00 -0.21 0.23 0.00 -0.15 0.00 0.00 55.06 54.93 3ix6 s HIS 51 Cb -0.03 -3.60 0.66 0.00 1.11 0.00 0.00 32.58 30.71 3ix6 s HIS 51 CO -0.00 -1.05 1.71 -0.07 -0.85 0.00 0.00 174.74 174.48 3ix6 h LEU 52 N 10.02 0.00 -1.15 0.89 4.07 -2.01 -3.34 115.31 123.80 3ix6 h LEU 52 Ca -0.26 0.00 0.10 0.00 0.08 0.00 0.00 57.88 57.80 3ix6 h LEU 52 Cb 1.09 0.00 -0.07 0.00 1.08 0.00 0.00 40.66 42.76 3ix6 h LEU 52 CO 0.97 0.21 0.60 0.08 -1.08 0.00 0.00 178.44 179.21 3ix6 h ARG 53 N 0.00 0.89 -0.43 1.13 0.11 -1.99 0.36 114.38 114.44 3ix6 h ARG 53 Ca -0.00 -0.05 -0.14 0.00 0.10 0.00 0.00 59.98 59.88 3ix6 h ARG 53 Cb 0.92 -0.20 -0.01 0.00 1.11 0.00 0.00 29.97 31.79 3ix6 h ARG 53 CO 0.03 0.59 -0.29 0.77 0.10 0.00 0.00 179.97 181.17 3ix6 h SER 54 N 0.92 1.00 -0.45 0.08 0.02 -1.98 -0.35 113.55 112.80 3ix6 h SER 54 Ca 0.44 -0.43 0.04 0.00 -0.84 0.00 0.00 61.79 61.00 3ix6 h SER 54 Cb 0.44 -0.28 -0.04 0.00 0.14 0.00 0.00 62.40 62.66 3ix6 h SER 54 CO -0.20 1.22 0.22 0.40 -1.14 0.00 0.00 176.83 177.33 3ix6 h ILE 55 N 0.80 0.97 0.20 3.27 1.08 -1.33 0.14 117.51 122.63 3ix6 h ILE 55 Ca 0.09 -0.15 -0.01 0.00 -0.39 0.00 0.00 64.86 64.39 3ix6 h ILE 55 Cb 0.88 0.48 0.00 0.00 -3.07 0.00 0.00 36.82 35.11 3ix6 h ILE 55 CO 0.08 0.08 -0.10 0.40 -0.69 0.00 0.00 178.15 177.92 3ix6 h ILE 56 N 0.45 0.88 -0.36 -0.67 2.04 -0.75 -1.35 117.51 117.75 3ix6 h ILE 56 Ca 0.19 -0.76 0.04 0.00 1.00 0.00 0.00 64.86 65.34 3ix6 h ILE 56 Cb 0.10 1.31 -0.04 0.00 -0.74 0.00 0.00 36.82 37.45 3ix6 h ILE 56 CO -0.14 0.16 0.13 0.45 0.00 0.00 0.00 178.15 178.76 3ix6 h HIS 57 N -0.67 0.24 -0.44 1.37 3.86 -1.02 -0.71 115.15 117.77 3ix6 h HIS 57 Ca -0.03 0.02 0.05 0.00 -1.16 0.00 0.00 60.37 59.25 3ix6 h HIS 57 Cb 0.47 -0.05 -0.05 0.00 1.06 0.00 0.00 27.41 28.84 3ix6 h HIS 57 CO 0.04 0.10 0.18 1.49 0.86 0.00 0.00 177.93 180.60 3ix6 h GLU 58 N 0.29 0.35 0.04 2.45 4.81 -0.72 0.95 114.58 122.75 3ix6 h GLU 58 Ca 0.16 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.37 3ix6 h GLU 58 Cb 0.13 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.43 3ix6 h GLU 58 CO -0.16 0.23 -0.02 1.25 -0.73 0.00 0.00 179.01 179.58 3ix6 h LEU 59 N 0.36 -0.05 -1.02 1.64 5.85 -0.73 0.26 115.31 121.63 3ix6 h LEU 59 Ca 0.20 -0.04 0.10 0.00 0.84 0.00 0.00 57.88 58.98 3ix6 h LEU 59 Cb 0.17 0.01 -0.08 0.00 0.37 0.00 0.00 40.66 41.14 3ix6 h LEU 59 CO -0.19 0.01 0.64 -0.07 -0.34 0.00 0.00 178.44 178.49 3ix6 h LEU 60 N -0.10 0.97 -0.35 2.25 3.38 -0.91 0.75 115.31 121.30 3ix6 h LEU 60 Ca -0.01 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 3ix6 h LEU 60 Cb 0.08 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 3ix6 h LEU 60 CO 0.01 0.57 0.12 -0.25 0.09 0.00 0.00 178.44 178.97 3ix6 h TRP 61 N 1.07 0.55 -0.52 1.13 7.01 -0.33 -2.40 115.95 122.46 3ix6 h TRP 61 Ca 0.46 -0.05 0.10 0.00 2.11 0.00 0.00 58.89 61.51 3ix6 h TRP 61 Cb 0.34 -0.16 -0.08 0.00 -2.10 0.00 0.00 29.16 27.16 3ix6 h TRP 61 CO -0.00 0.53 0.06 0.74 -2.79 0.00 0.00 178.44 176.98 3ix6 h PHE 62 N 0.41 0.08 0.00 2.65 0.04 0.79 -2.24 116.94 118.68 3ix6 h PHE 62 Ca 0.11 0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.91 3ix6 h PHE 62 Cb 0.23 0.04 -0.00 0.00 2.20 0.00 0.00 35.95 38.42 3ix6 h PHE 62 CO 0.00 -0.06 -0.06 -0.07 -0.60 0.00 0.00 178.31 177.53 3ix6 h LEU 63 N 0.19 0.00 -0.21 1.54 3.38 -0.48 -1.70 115.31 118.03 3ix6 h LEU 63 Ca 0.27 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.22 3ix6 h LEU 63 Cb 0.39 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.14 3ix6 h LEU 63 CO -0.39 0.06 -0.07 0.11 0.09 0.00 0.00 178.44 178.24 3ix6 h LYS 64 N 0.00 0.00 0.00 1.13 1.57 -0.92 -3.48 116.57 114.87 3ix6 h LYS 64 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3ix6 h LYS 64 Cb 0.15 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.46 3ix6 h LYS 64 CO 0.01 0.07 0.00 0.41 -0.57 0.00 0.00 179.45 179.36 3ix6 n GLY 65 N 0.96 2.22 3.76 3.86 0.00 -0.64 -5.02 105.19 110.32 3ix6 n GLY 65 Ca 0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.66 3ix6 n GLY 65 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3ix6 s ASP 66 N -3.57 7.49 0.00 1.61 1.47 -1.26 -3.41 116.67 119.00 3ix6 s ASP 66 Ca 0.00 1.98 0.25 0.00 1.18 0.00 0.00 52.55 55.96 3ix6 s ASP 66 Cb 0.00 -2.61 0.51 0.00 -0.34 0.00 0.00 42.92 40.49 3ix6 s ASP 66 CO 0.00 0.04 1.41 0.35 0.68 0.00 0.00 175.17 177.65 3ix6 n THR 67 N 1.19 0.00 -2.67 2.11 -2.24 -1.26 -4.71 114.28 106.70 3ix6 n THR 67 Ca -0.01 -0.13 -0.41 0.00 -2.27 0.00 0.00 64.05 61.23 3ix6 n THR 67 Cb 0.47 0.60 -0.04 0.00 -2.10 0.00 0.00 70.33 69.26 3ix6 n THR 67 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 3ix6 s ASN 68 N -2.58 7.45 0.00 3.42 3.84 -1.26 -2.15 114.94 123.66 3ix6 s ASN 68 Ca 0.21 1.89 0.22 0.00 0.21 0.00 0.00 52.86 55.39 3ix6 s ASN 68 Cb 0.19 -2.59 1.19 0.00 -0.55 0.00 0.00 41.25 39.49 3ix6 s ASN 68 CO 0.57 -0.08 1.70 0.00 -2.79 0.00 0.00 177.10 176.50 3ix6 n ILE 69 N 2.54 0.19 -0.25 -5.21 3.06 0.66 -4.33 119.36 116.02 3ix6 n ILE 69 Ca 0.02 0.05 0.06 0.00 -2.50 0.00 0.00 62.75 60.38 3ix6 n ILE 69 Cb 0.48 -0.69 0.19 0.00 0.54 0.00 0.00 39.64 40.15 3ix6 n ILE 69 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 3ix6 h ALA 70 N 3.18 0.98 -0.74 1.51 0.00 -1.92 -0.02 119.26 122.24 3ix6 h ALA 70 Ca 0.00 0.17 0.02 0.00 0.00 0.00 0.00 54.91 55.10 3ix6 h ALA 70 Cb 0.12 0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.08 3ix6 h ALA 70 CO 0.00 -0.33 0.48 -0.92 0.00 0.00 0.00 179.25 178.47 3ix6 h TYR 71 N 0.28 0.89 -0.15 0.00 3.20 -1.99 -0.18 116.97 119.02 3ix6 h TYR 71 Ca 0.42 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.29 3ix6 h TYR 71 Cb 0.72 -0.30 -0.01 0.00 1.54 0.00 0.00 36.73 38.69 3ix6 h TYR 71 CO -0.25 0.53 0.00 -0.07 -1.64 0.00 0.00 178.16 176.73 3ix6 h LEU 72 N 0.94 0.26 -0.45 2.82 3.38 -1.36 -2.18 115.31 118.72 3ix6 h LEU 72 Ca 0.29 -0.31 0.05 0.00 0.09 0.00 0.00 57.88 58.00 3ix6 h LEU 72 Cb -0.02 -0.07 -0.05 0.00 0.09 0.00 0.00 40.66 40.61 3ix6 h LEU 72 CO -0.09 0.50 0.18 0.11 0.09 0.00 0.00 178.44 179.23 3ix6 h LYS 73 N 0.01 0.36 0.00 1.13 1.57 -1.03 0.22 116.57 118.84 3ix6 h LYS 73 Ca 0.04 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 3ix6 h LYS 73 Cb 0.37 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.60 3ix6 h LYS 73 CO 0.01 0.24 -0.03 1.49 -0.57 0.00 0.00 179.45 180.59 3ix6 h GLU 74 N 0.37 0.00 -0.34 3.15 4.81 -0.99 -2.36 114.58 119.22 3ix6 h GLU 74 Ca 0.20 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.43 3ix6 h GLU 74 Cb 0.17 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.55 3ix6 h GLU 74 CO -0.18 0.03 0.00 0.09 -0.73 0.00 0.00 179.01 178.22 3ix6 n ASN 75 N -3.92 4.36 -2.94 1.04 3.02 -0.53 -4.97 115.26 111.32 3ix6 n ASN 75 Ca -0.03 -2.98 -0.22 0.00 -0.03 0.00 0.00 54.58 51.32 3ix6 n ASN 75 Cb 0.12 -0.58 0.02 0.00 -0.61 0.00 0.00 39.78 38.73 3ix6 n ASN 75 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3ix6 n GLY 76 N -0.20 -0.52 3.48 7.41 0.00 -0.54 -4.98 105.19 109.85 3ix6 n GLY 76 Ca 0.23 0.10 -0.36 0.00 0.00 0.00 0.00 46.02 45.99 3ix6 n GLY 76 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ix6 s VAL 77 N -3.11 4.35 -1.50 1.61 1.01 -0.04 -5.00 120.40 117.71 3ix6 s VAL 77 Ca 0.26 -0.17 0.12 0.00 0.00 0.00 0.00 61.98 62.19 3ix6 s VAL 77 Cb -0.12 -3.01 0.10 0.00 0.00 0.00 0.00 36.38 33.36 3ix6 s VAL 77 CO 0.32 0.37 0.89 0.35 0.00 0.00 0.00 175.10 177.03 3ix6 n THR 78 N 4.56 0.02 -0.32 3.92 -2.24 -1.26 -4.09 114.28 114.87 3ix6 n THR 78 Ca -0.16 -0.51 0.18 0.00 -2.27 0.00 0.00 64.05 61.29 3ix6 n THR 78 Cb 0.52 1.23 0.38 0.00 -2.10 0.00 0.00 70.33 70.36 3ix6 n THR 78 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 3ix6 h ILE 79 N 2.37 0.25 -0.23 2.28 2.04 -1.97 -1.98 117.51 120.27 3ix6 h ILE 79 Ca 0.00 -0.07 0.00 0.00 1.00 0.00 0.00 64.86 65.79 3ix6 h ILE 79 Cb 0.51 0.03 0.00 0.00 -0.74 0.00 0.00 36.82 36.62 3ix6 h ILE 79 CO 0.00 0.04 0.00 0.79 0.00 0.00 0.00 178.15 178.98 3ix6 n TRP 80 N -5.20 0.28 -0.01 1.37 7.02 -1.26 -4.68 117.44 114.95 3ix6 n TRP 80 Ca 0.26 -0.17 -0.10 0.00 -1.02 0.00 0.00 57.50 56.48 3ix6 n TRP 80 Cb 0.84 -0.00 -0.03 0.00 -2.42 0.00 0.00 31.31 29.70 3ix6 n TRP 80 CO 0.00 0.00 0.00 -0.44 -2.02 0.00 0.00 177.69 175.23 3ix6 h ASP 81 N 3.80 -0.82 -0.14 -0.99 3.32 -1.67 -2.36 116.42 117.56 3ix6 h ASP 81 Ca 0.00 0.13 0.04 0.00 0.02 0.00 0.00 57.03 57.22 3ix6 h ASP 81 Cb 0.86 0.36 -0.01 0.00 0.22 0.00 0.00 39.33 40.77 3ix6 h ASP 81 CO 0.00 -0.31 0.29 1.05 -1.72 0.00 0.00 179.24 178.55 3ix6 h GLU 82 N -0.31 0.00 0.00 3.56 4.11 -1.83 -1.35 114.58 118.75 3ix6 h GLU 82 Ca 0.11 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.54 3ix6 h GLU 82 Cb 0.48 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.73 3ix6 h GLU 82 CO -0.34 0.00 -1.06 0.91 0.07 0.00 0.00 179.01 178.59 3ix6 n TRP 83 N -3.32 0.01 -2.64 2.06 7.02 -0.90 -4.96 117.44 114.71 3ix6 n TRP 83 Ca 0.01 0.00 -0.36 0.00 -1.02 0.00 0.00 57.50 56.13 3ix6 n TRP 83 Cb 0.38 -0.08 -0.05 0.00 -2.42 0.00 0.00 31.31 29.14 3ix6 n TRP 83 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 3ix6 s ALA 84 N -3.06 3.11 0.77 6.99 0.00 -0.51 -4.71 121.76 124.35 3ix6 s ALA 84 Ca 0.07 0.61 -0.05 0.00 0.00 0.00 0.00 51.96 52.58 3ix6 s ALA 84 Cb 0.16 -3.23 0.13 0.00 0.00 0.00 0.00 23.12 20.18 3ix6 s ALA 84 CO 0.86 -0.07 1.07 0.16 0.00 0.00 0.00 175.76 177.78 3ix6 s ASP 85 N -1.67 4.15 0.43 0.00 1.47 -0.16 -4.87 116.67 116.01 3ix6 s ASP 85 Ca 0.57 -0.07 0.25 0.00 1.18 0.00 0.00 52.55 54.48 3ix6 s ASP 85 Cb -0.19 -0.29 1.29 0.00 -0.34 0.00 0.00 42.92 43.39 3ix6 s ASP 85 CO 0.24 -2.01 1.71 1.05 0.68 0.00 0.00 175.17 176.84 3ix6 h GLU 86 N -0.79 0.21 -0.01 2.11 9.09 -1.98 0.64 114.58 123.86 3ix6 h GLU 86 Ca -0.40 -0.01 0.00 0.00 0.05 0.00 0.00 59.36 59.00 3ix6 h GLU 86 Cb 1.27 -0.05 0.00 0.00 -1.65 0.00 0.00 28.75 28.32 3ix6 h GLU 86 CO 0.43 0.14 -0.08 0.09 0.05 0.00 0.00 179.01 179.64 3ix6 n ASN 87 N -4.61 0.68 0.00 3.06 3.02 -1.26 -4.91 115.26 111.23 3ix6 n ASN 87 Ca 0.31 -0.88 0.00 0.00 -0.03 0.00 0.00 54.58 53.98 3ix6 n ASN 87 Cb 1.17 -0.02 0.00 0.00 -0.61 0.00 0.00 39.78 40.32 3ix6 n ASN 87 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3ix6 n GLY 88 N 1.22 0.64 3.78 7.41 0.00 0.22 -4.89 105.19 113.57 3ix6 n GLY 88 Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.80 3ix6 n GLY 88 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3ix6 s ASP 89 N -2.14 7.36 0.49 1.61 1.01 -1.26 -0.24 116.67 123.50 3ix6 s ASP 89 Ca 0.00 1.68 0.06 0.00 0.71 0.00 0.00 52.55 55.00 3ix6 s ASP 89 Cb 0.00 -2.51 0.01 0.00 1.01 0.00 0.00 42.92 41.43 3ix6 s ASP 89 CO 0.00 0.12 0.38 -0.76 0.21 0.00 0.00 175.17 175.12 3ix6 s LEU 90 N -1.46 2.96 0.00 1.23 1.43 -0.91 -0.99 118.68 120.93 3ix6 s LEU 90 Ca 0.40 -1.08 0.00 0.00 -1.03 0.00 0.00 54.13 52.43 3ix6 s LEU 90 Cb -0.22 -1.47 0.00 0.00 0.03 0.00 0.00 46.19 44.53 3ix6 s LEU 90 CO 0.26 -0.91 0.00 0.61 0.23 0.00 0.00 176.35 176.53 3ix6 n GLY 91 N -1.65 -1.73 2.81 -3.19 0.00 -1.26 -4.82 105.19 95.34 3ix6 n GLY 91 Ca 0.00 -1.35 -0.42 0.00 0.00 0.00 0.00 46.02 44.26 3ix6 n GLY 91 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3ix6 n PRO 92 N 0.00 2.49 -1.59 1.61 -0.04 -1.26 -4.89 135.00 131.33 3ix6 n PRO 92 Ca 0.00 -2.33 -0.25 0.00 -0.04 0.00 0.00 63.50 60.88 3ix6 n PRO 92 Cb 0.00 -3.13 0.18 0.00 -0.04 0.00 0.00 33.50 30.50 3ix6 n PRO 92 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 3ix6 n VAL 93 N 5.25 0.00 -0.28 0.52 0.24 -1.26 -4.58 118.33 118.21 3ix6 n VAL 93 Ca 0.53 -0.82 -0.05 0.00 -2.04 0.00 0.00 64.34 61.96 3ix6 n VAL 93 Cb 0.38 -1.57 -0.00 0.00 -1.47 0.00 0.00 33.84 31.18 3ix6 n VAL 93 CO 0.00 0.00 0.00 1.88 -2.14 0.00 0.00 176.83 176.57 3ix6 h TYR 94 N -1.70 -1.15 -0.84 6.34 0.05 -1.95 -0.59 116.97 117.13 3ix6 h TYR 94 Ca -0.37 0.09 0.14 0.00 0.05 0.00 0.00 58.73 58.64 3ix6 h TYR 94 Cb 1.01 0.61 -0.09 0.00 1.01 0.00 0.00 36.73 39.28 3ix6 h TYR 94 CO 0.00 -0.40 0.44 0.78 -1.05 0.00 0.00 178.16 177.93 3ix6 h GLY 95 N -0.11 1.36 0.86 3.88 0.00 -1.87 0.26 103.07 107.45 3ix6 h GLY 95 Ca 0.25 -0.26 -0.05 0.00 0.00 0.00 0.00 47.33 47.27 3ix6 h GLY 95 CO -0.81 -0.01 -0.02 -1.82 0.00 0.00 0.00 176.54 173.89 3ix6 h TYR 96 N 0.65 0.52 -0.27 5.60 3.20 -1.14 -1.69 116.97 123.85 3ix6 h TYR 96 Ca 0.45 -0.10 -0.12 0.00 3.14 0.00 0.00 58.73 62.10 3ix6 h TYR 96 Cb 0.60 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.73 3ix6 h TYR 96 CO -0.09 0.65 -0.33 1.96 -1.64 0.00 0.00 178.16 178.71 3ix6 h GLN 97 N 0.25 0.58 -0.21 1.82 1.08 -0.68 0.19 115.11 118.13 3ix6 h GLN 97 Ca 0.07 -0.26 -0.05 0.00 -1.45 0.00 0.00 58.65 56.96 3ix6 h GLN 97 Cb 0.45 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.87 3ix6 h GLN 97 CO 0.02 0.84 -0.07 -1.49 -0.95 0.00 0.00 178.83 177.17 3ix6 h TRP 98 N 0.49 0.48 0.00 2.96 4.06 -0.50 -3.12 115.95 120.33 3ix6 h TRP 98 Ca 0.06 -0.11 0.00 0.00 2.06 0.00 0.00 58.89 60.90 3ix6 h TRP 98 Cb 0.81 -0.11 0.00 0.00 -1.00 0.00 0.00 29.16 28.86 3ix6 h TRP 98 CO 0.03 0.68 -1.65 0.54 -3.56 0.00 0.00 178.44 174.48 3ix6 n ARG 99 N -4.59 0.46 -2.77 0.49 5.12 -0.64 -0.44 116.66 114.30 3ix6 n ARG 99 Ca -0.05 -0.13 -0.02 0.00 -1.93 0.00 0.00 57.85 55.73 3ix6 n ARG 99 Cb 0.30 -1.53 0.07 0.00 -1.16 0.00 0.00 32.46 30.15 3ix6 n ARG 99 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 3ix6 n SER 100 N -2.05 0.54 -4.68 0.55 7.64 0.65 -3.44 113.62 112.83 3ix6 n SER 100 Ca -0.01 -2.17 -0.47 0.00 1.01 0.00 0.00 58.87 57.23 3ix6 n SER 100 Cb 0.50 -0.09 -0.04 0.00 -1.01 0.00 0.00 64.21 63.57 3ix6 n SER 100 CO 0.00 0.00 0.00 1.87 -3.01 0.00 0.00 175.04 173.90 3ix6 n TRP 101 N -0.81 2.38 -2.21 1.43 -0.00 0.26 -4.51 117.44 113.98 3ix6 n TRP 101 Ca -0.00 -0.08 -0.43 0.00 -0.00 0.00 0.00 57.50 56.99 3ix6 n TRP 101 Cb 0.83 -2.69 -0.02 0.00 -0.00 0.00 0.00 31.31 29.42 3ix6 n TRP 101 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 177.69 176.44 3ix6 s PRO 102 N 3.98 3.40 0.39 5.87 0.04 -1.26 0.40 135.00 147.81 3ix6 s PRO 102 Ca 0.91 1.03 -0.23 0.00 0.04 0.00 0.00 61.00 62.75 3ix6 s PRO 102 Cb -0.63 -4.12 -0.10 0.00 0.04 0.00 0.00 34.50 29.69 3ix6 s PRO 102 CO 0.48 -1.79 0.96 0.00 0.04 0.00 0.00 177.00 176.70 3ix6 s ALA 103 N 6.26 3.11 0.20 8.56 0.00 0.11 -4.96 121.76 135.04 3ix6 s ALA 103 Ca 0.67 0.50 -0.19 0.00 0.00 0.00 0.00 51.96 52.94 3ix6 s ALA 103 Cb -0.16 -3.18 0.17 0.00 0.00 0.00 0.00 23.12 19.94 3ix6 s ALA 103 CO 0.31 0.08 1.45 -2.30 0.00 0.00 0.00 175.76 175.30 3ix6 n PRO 104 N -0.10 -0.25 0.00 0.00 -0.02 -1.26 -0.41 135.00 132.96 3ix6 n PRO 104 Ca 0.05 1.43 0.04 0.00 -2.02 0.00 0.00 63.50 63.00 3ix6 n PRO 104 Cb 0.52 -2.12 0.22 0.00 -0.02 0.00 0.00 33.50 32.10 3ix6 n PRO 104 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 3ix6 n ASP 105 N -5.34 0.00 0.00 2.55 5.68 -1.26 -4.83 116.55 113.36 3ix6 n ASP 105 Ca 0.08 0.14 0.00 0.00 -0.50 0.00 0.00 54.79 54.51 3ix6 n ASP 105 Cb 0.35 -0.27 0.00 0.00 -1.14 0.00 0.00 41.12 40.06 3ix6 n ASP 105 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3ix6 n GLY 106 N -0.54 0.32 3.78 6.12 0.00 0.45 -5.08 105.19 110.24 3ix6 n GLY 106 Ca 0.04 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.77 3ix6 n GLY 106 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3ix6 s ARG 107 N -0.94 1.58 -0.05 1.61 3.03 -1.26 -4.80 118.95 118.13 3ix6 s ARG 107 Ca 0.00 0.56 0.05 0.00 2.03 0.00 0.00 55.73 58.38 3ix6 s ARG 107 Cb 0.00 -1.87 -0.02 0.00 -1.03 0.00 0.00 34.95 32.04 3ix6 s ARG 107 CO 0.00 -1.95 -0.22 -1.01 -1.13 0.00 0.00 175.30 170.99 3ix6 s HIS 108 N -3.14 2.50 -0.30 5.89 3.76 -1.26 0.05 115.29 122.79 3ix6 s HIS 108 Ca 0.62 -0.53 -0.12 0.00 -0.15 0.00 0.00 55.06 54.89 3ix6 s HIS 108 Cb -0.15 -1.60 -0.04 0.00 1.11 0.00 0.00 32.58 31.90 3ix6 s HIS 108 CO 0.55 -0.09 0.22 0.42 -0.85 0.00 0.00 174.74 174.99 3ix6 s ILE 109 N -0.35 5.29 -0.99 0.60 -1.09 0.16 -4.81 121.20 120.01 3ix6 s ILE 109 Ca 0.02 0.08 -0.20 0.00 -2.23 0.00 0.00 60.65 58.32 3ix6 s ILE 109 Cb -0.12 -3.60 0.09 0.00 -1.58 0.00 0.00 42.46 37.25 3ix6 s ILE 109 CO 0.02 0.16 1.31 -0.62 -1.23 0.00 0.00 174.94 174.58 3ix6 s ASP 110 N 1.74 6.59 0.42 3.58 -1.08 -1.22 -0.57 116.67 126.13 3ix6 s ASP 110 Ca 0.07 -1.82 0.15 0.00 -0.52 0.00 0.00 52.55 50.43 3ix6 s ASP 110 Cb -0.16 -2.48 0.91 0.00 -1.46 0.00 0.00 42.92 39.72 3ix6 s ASP 110 CO 0.11 -1.26 1.92 1.56 0.52 0.00 0.00 175.17 178.02 3ix6 h GLN 111 N 9.17 0.00 -0.02 4.34 4.20 -1.00 -1.41 115.11 130.41 3ix6 h GLN 111 Ca 0.19 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.89 3ix6 h GLN 111 Cb 1.01 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.79 3ix6 h GLN 111 CO 1.27 0.27 -0.04 0.82 -0.67 0.00 0.00 178.83 180.48 3ix6 h ILE 112 N 0.00 1.47 -1.00 2.54 1.08 -1.82 -0.56 117.51 119.21 3ix6 h ILE 112 Ca -0.00 -1.43 0.08 0.00 -0.39 0.00 0.00 64.86 63.12 3ix6 h ILE 112 Cb 0.49 2.39 -0.07 0.00 -3.07 0.00 0.00 36.82 36.56 3ix6 h ILE 112 CO 0.03 0.38 0.64 0.00 -0.69 0.00 0.00 178.15 178.52 3ix6 h ALA 113 N 0.42 1.43 -0.48 1.87 0.00 -1.82 -1.12 119.26 119.55 3ix6 h ALA 113 Ca -0.00 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.77 3ix6 h ALA 113 Cb 0.64 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 3ix6 h ALA 113 CO 0.01 0.38 -0.23 -0.91 0.00 0.00 0.00 179.25 178.50 3ix6 h ASN 114 N 1.12 1.03 0.05 0.00 2.35 -1.26 -1.89 115.58 116.98 3ix6 h ASN 114 Ca 0.45 -0.40 0.02 0.00 -0.55 0.00 0.00 56.30 55.83 3ix6 h ASN 114 Cb 0.26 -0.28 -0.04 0.00 0.05 0.00 0.00 38.32 38.31 3ix6 h ASN 114 CO -0.20 1.20 -0.25 0.25 -1.65 0.00 0.00 177.43 176.77 3ix6 h LEU 115 N 0.85 -0.74 -1.08 1.61 5.85 -0.45 -0.44 115.31 120.91 3ix6 h LEU 115 Ca 0.11 0.09 0.01 0.00 0.84 0.00 0.00 57.88 58.93 3ix6 h LEU 115 Cb 0.81 0.29 -0.05 0.00 0.37 0.00 0.00 40.66 42.09 3ix6 h LEU 115 CO 0.07 -0.33 0.62 -0.07 -0.34 0.00 0.00 178.44 178.39 3ix6 h LEU 116 N -0.42 1.07 0.30 2.25 3.38 -1.13 0.39 115.31 121.15 3ix6 h LEU 116 Ca 0.05 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 3ix6 h LEU 116 Cb 0.48 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.97 3ix6 h LEU 116 CO -0.19 0.77 -0.14 0.11 0.09 0.00 0.00 178.44 179.08 3ix6 h LYS 117 N 1.26 -0.39 -0.88 1.13 1.57 -1.13 -2.80 116.57 115.34 3ix6 h LYS 117 Ca 0.34 0.03 0.03 0.00 -1.87 0.00 0.00 60.65 59.18 3ix6 h LYS 117 Cb -0.14 0.09 -0.05 0.00 0.08 0.00 0.00 32.23 32.21 3ix6 h LYS 117 CO -0.08 -0.24 0.58 0.52 -0.57 0.00 0.00 179.45 179.67 3ix6 h MET 118 N -0.43 1.09 -0.54 3.15 2.86 -0.56 -0.50 114.93 120.01 3ix6 h MET 118 Ca -0.04 -0.07 -0.02 0.00 -2.06 0.00 0.00 59.70 57.52 3ix6 h MET 118 Cb 0.33 -0.24 -0.03 0.00 0.06 0.00 0.00 31.60 31.72 3ix6 h MET 118 CO 0.07 0.72 0.26 -0.07 1.06 0.00 0.00 176.91 178.95 3ix6 h LEU 119 N 1.12 0.67 0.06 1.22 3.38 -0.84 0.54 115.31 121.46 3ix6 h LEU 119 Ca 0.35 -0.06 -0.23 0.00 0.09 0.00 0.00 57.88 58.02 3ix6 h LEU 119 Cb -0.00 -0.17 0.02 0.00 0.09 0.00 0.00 40.66 40.60 3ix6 h LEU 119 CO -0.10 0.57 -0.95 0.45 0.09 0.00 0.00 178.44 178.50 3ix6 h HIS 120 N 0.75 0.85 0.17 1.13 3.86 -1.12 -3.23 115.15 117.56 3ix6 h HIS 120 Ca 0.19 -0.50 -0.36 0.00 -1.16 0.00 0.00 60.37 58.54 3ix6 h HIS 120 Cb 0.07 -0.08 0.00 0.00 1.06 0.00 0.00 27.41 28.46 3ix6 h HIS 120 CO 0.01 1.34 -1.82 1.79 0.86 0.00 0.00 177.93 180.11 3ix6 h THR 121 N 0.11 0.84 -2.23 2.45 1.35 -0.91 -3.41 112.91 111.10 3ix6 h THR 121 Ca -0.14 -2.45 -0.58 0.00 -0.55 0.00 0.00 66.41 62.69 3ix6 h THR 121 Cb 1.65 2.68 -0.39 0.00 -1.73 0.00 0.00 68.15 70.37 3ix6 h THR 121 CO 0.18 0.87 -1.00 -3.20 -0.25 0.00 0.00 175.52 172.13 3ix6 n ASN 122 N -3.57 0.15 0.31 5.36 5.15 0.19 -4.97 115.26 117.88 3ix6 n ASN 122 Ca -0.27 -2.60 0.18 0.00 -0.60 0.00 0.00 54.58 51.29 3ix6 n ASN 122 Cb 1.06 -0.60 0.91 0.00 -0.53 0.00 0.00 39.78 40.62 3ix6 n ASN 122 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 3ix6 h PRO 123 N 4.85 0.00 -0.01 1.20 0.13 -1.57 -0.85 132.00 135.75 3ix6 h PRO 123 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 3ix6 h PRO 123 Cb 0.88 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.01 3ix6 h PRO 123 CO 0.45 0.00 -0.05 1.04 -0.23 0.00 0.00 178.00 179.21 3ix6 n GLN 124 N -3.08 1.41 -1.60 0.86 6.02 -1.26 -3.79 117.38 115.93 3ix6 n GLN 124 Ca -0.01 -0.75 -0.42 0.00 -0.01 0.00 0.00 57.00 55.80 3ix6 n GLN 124 Cb 0.32 -1.48 0.00 0.00 1.02 0.00 0.00 30.24 30.10 3ix6 n GLN 124 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 3ix6 n SER 125 N -0.14 1.25 -1.48 1.08 2.88 -0.32 -4.91 113.62 111.97 3ix6 n SER 125 Ca 0.18 1.08 0.11 0.00 -1.33 0.00 0.00 58.87 58.91 3ix6 n SER 125 Cb 0.33 -1.33 0.34 0.00 -0.75 0.00 0.00 64.21 62.80 3ix6 n SER 125 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 3ix6 n ARG 126 N 0.38 3.18 -2.64 -1.46 1.74 -1.26 -4.27 116.66 112.33 3ix6 n ARG 126 Ca 0.09 -2.78 -0.06 0.00 -0.77 0.00 0.00 57.85 54.33 3ix6 n ARG 126 Cb 0.37 -1.72 0.04 0.00 -1.02 0.00 0.00 32.46 30.13 3ix6 n ARG 126 CO 0.00 0.00 0.00 2.89 -1.52 0.00 0.00 177.63 179.00 3ix6 n ARG 127 N 1.46 2.18 -1.45 5.56 1.85 -1.26 -4.93 116.66 120.07 3ix6 n ARG 127 Ca 0.25 -3.67 -0.41 0.00 -1.00 0.00 0.00 57.85 53.03 3ix6 n ARG 127 Cb 0.75 -1.77 -0.02 0.00 -1.05 0.00 0.00 32.46 30.37 3ix6 n ARG 127 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 3ix6 n LEU 128 N -0.62 6.00 -4.40 2.89 4.77 -1.26 -4.91 117.00 119.47 3ix6 n LEU 128 Ca 0.16 -3.68 -0.32 0.00 -0.03 0.00 0.00 56.01 52.14 3ix6 n LEU 128 Cb 0.84 -1.44 -0.14 0.00 -2.33 0.00 0.00 43.42 40.35 3ix6 n LEU 128 CO 0.15 0.67 -0.50 -0.63 -1.33 0.00 0.00 177.39 175.75 3ix6 s ILE 129 N 3.72 2.63 -0.12 -0.08 1.01 -1.26 -0.60 121.20 126.51 3ix6 s ILE 129 Ca 0.52 -0.88 0.03 0.00 0.00 0.00 0.00 60.65 60.32 3ix6 s ILE 129 Cb 0.14 -1.99 0.00 0.00 0.01 0.00 0.00 42.46 40.62 3ix6 s ILE 129 CO -0.02 0.58 -0.22 -0.69 0.00 0.00 0.00 174.94 174.60 3ix6 s VAL 130 N -0.57 2.23 -0.03 2.92 1.01 -0.21 -4.92 120.40 120.82 3ix6 s VAL 130 Ca 0.08 -0.95 0.05 0.00 0.00 0.00 0.00 61.98 61.17 3ix6 s VAL 130 Cb -0.11 -1.88 -0.02 0.00 0.00 0.00 0.00 36.38 34.37 3ix6 s VAL 130 CO 0.01 0.55 -0.19 -0.55 0.00 0.00 0.00 175.10 174.92 3ix6 s SER 131 N 0.48 3.68 -0.01 3.32 0.15 -1.26 -0.97 113.70 119.08 3ix6 s SER 131 Ca -0.14 -0.30 0.07 0.00 0.70 0.00 0.00 55.95 56.27 3ix6 s SER 131 Cb -0.17 -0.66 0.20 0.00 -1.71 0.00 0.00 66.02 63.68 3ix6 s SER 131 CO 0.06 0.33 1.16 0.00 1.20 0.00 0.00 173.24 175.99 3ix6 n ALA 132 N 2.31 2.14 -3.11 5.45 0.00 0.11 -4.61 120.51 122.79 3ix6 n ALA 132 Ca -0.17 -1.16 -0.45 0.00 0.00 0.00 0.00 53.44 51.67 3ix6 n ALA 132 Cb 0.52 -0.28 -0.07 0.00 0.00 0.00 0.00 19.45 19.62 3ix6 n ALA 132 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.50 177.04 3ix6 s TRP 133 N -1.10 3.26 -0.34 0.00 -0.11 -0.91 -4.71 118.94 115.04 3ix6 s TRP 133 Ca 0.15 -1.16 -0.01 0.00 1.22 0.00 0.00 56.10 56.31 3ix6 s TRP 133 Cb 0.09 -3.44 0.08 0.00 -1.50 0.00 0.00 33.47 28.70 3ix6 s TRP 133 CO 0.09 -0.90 0.06 1.21 -4.62 0.00 0.00 176.95 172.79 3ix6 s ASN 134 N 2.99 4.95 0.55 5.86 3.84 -1.26 -4.97 114.94 126.90 3ix6 s ASN 134 Ca 0.04 -1.66 0.25 0.00 0.21 0.00 0.00 52.86 51.70 3ix6 s ASN 134 Cb -0.27 -1.72 1.45 0.00 -0.55 0.00 0.00 41.25 40.16 3ix6 s ASN 134 CO 0.05 -0.36 2.03 -0.65 -2.79 0.00 0.00 177.10 175.37 3ix6 h PRO 135 N 7.93 0.00 0.00 0.43 0.11 -2.00 0.42 132.00 138.90 3ix6 h PRO 135 Ca -0.16 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.95 3ix6 h PRO 135 Cb 1.05 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.16 3ix6 h PRO 135 CO 0.58 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.37 3ix6 h ALA 136 N 1.74 1.00 0.00 -0.75 0.00 -2.02 -3.33 119.26 115.90 3ix6 h ALA 136 Ca 0.19 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.99 3ix6 h ALA 136 Cb 0.81 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 3ix6 h ALA 136 CO -0.00 0.00 -1.39 1.28 0.00 0.00 0.00 179.25 179.14 3ix6 n LEU 137 N -2.43 1.40 -0.12 0.00 4.77 -0.17 -4.84 117.00 115.60 3ix6 n LEU 137 Ca 0.03 -0.02 0.05 0.00 -0.03 0.00 0.00 56.01 56.04 3ix6 n LEU 137 Cb 0.29 -0.04 0.37 0.00 -2.33 0.00 0.00 43.42 41.71 3ix6 n LEU 137 CO 0.24 0.36 1.20 -0.37 -1.33 0.00 0.00 177.39 177.49 3ix6 h VAL 138 N 0.00 1.07 0.00 4.08 -1.51 -1.11 -2.00 116.25 116.77 3ix6 h VAL 138 Ca -0.15 -0.25 0.00 0.00 -1.23 0.00 0.00 66.70 65.07 3ix6 h VAL 138 Cb 1.29 0.29 0.00 0.00 -2.13 0.00 0.00 31.29 30.75 3ix6 h VAL 138 CO -0.01 0.13 0.00 0.44 -1.23 0.00 0.00 177.57 176.90 3ix6 h ASP 139 N 0.71 0.00 -0.01 4.19 3.32 -1.86 -2.53 116.42 120.24 3ix6 h ASP 139 Ca 0.25 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.30 3ix6 h ASP 139 Cb 0.11 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.66 3ix6 h ASP 139 CO -0.07 0.00 -0.39 -0.62 -1.72 0.00 0.00 179.24 176.44 3ix6 n GLU 140 N -2.95 1.44 -2.89 3.56 4.71 -0.76 -4.96 120.64 118.78 3ix6 n GLU 140 Ca 0.00 -0.99 -0.40 0.00 -0.01 0.00 0.00 57.16 55.76 3ix6 n GLU 140 Cb 0.27 -1.40 -0.06 0.00 -1.01 0.00 0.00 31.44 29.24 3ix6 n GLU 140 CO 0.00 0.00 0.00 -1.64 0.09 0.00 0.00 177.13 175.58 3ix6 s MET 141 N -2.21 4.64 0.39 3.49 -1.94 -0.96 -4.95 119.30 117.77 3ix6 s MET 141 Ca 0.17 1.26 0.19 0.00 -1.71 0.00 0.00 55.69 55.60 3ix6 s MET 141 Cb 0.16 -3.30 0.80 0.00 2.01 0.00 0.00 34.83 34.50 3ix6 s MET 141 CO 0.49 0.46 1.80 0.00 -0.01 0.00 0.00 175.02 177.75 3ix6 h ALA 142 N 4.70 1.11 -2.66 3.03 0.00 -1.93 -3.37 119.26 120.14 3ix6 h ALA 142 Ca -0.45 -0.31 -0.59 0.00 0.00 0.00 0.00 54.91 53.56 3ix6 h ALA 142 Cb 1.21 -0.06 -0.39 0.00 0.00 0.00 0.00 17.79 18.55 3ix6 h ALA 142 CO 0.68 0.43 -0.83 -1.17 0.00 0.00 0.00 179.25 178.36 3ix6 s LEU 143 N -7.33 1.33 0.35 0.00 2.96 -1.26 -5.12 118.68 109.62 3ix6 s LEU 143 Ca -0.01 -2.29 -0.28 0.00 -0.22 0.00 0.00 54.13 51.33 3ix6 s LEU 143 Cb 0.12 -0.53 -0.12 0.00 0.50 0.00 0.00 46.19 46.16 3ix6 s LEU 143 CO 0.68 -0.30 1.37 -2.65 -1.32 0.00 0.00 176.35 174.13 3ix6 n PRO 144 N 3.92 2.32 -1.68 0.98 -0.02 -1.26 -4.87 135.00 134.39 3ix6 n PRO 144 Ca 0.12 0.81 -0.45 0.00 -2.02 0.00 0.00 63.50 61.96 3ix6 n PRO 144 Cb 0.37 -2.45 -0.03 0.00 -0.02 0.00 0.00 33.50 31.36 3ix6 n PRO 144 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 3ix6 n PRO 145 N 0.58 2.15 0.09 0.52 -0.02 -1.26 -4.89 135.00 132.16 3ix6 n PRO 145 Ca 0.04 0.77 -0.04 0.00 -2.02 0.00 0.00 63.50 62.25 3ix6 n PRO 145 Cb 0.37 -2.50 -0.07 0.00 -0.02 0.00 0.00 33.50 31.28 3ix6 n PRO 145 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ix6 s HIS 147 N -2.79 3.38 0.09 0.00 3.76 -1.26 -1.45 115.29 117.01 3ix6 s HIS 147 Ca 0.02 -1.62 -0.15 0.00 -0.15 0.00 0.00 55.06 53.17 3ix6 s HIS 147 Cb 0.09 -4.07 -0.14 0.00 1.11 0.00 0.00 32.58 29.56 3ix6 s HIS 147 CO 0.80 -1.27 1.31 0.00 -0.85 0.00 0.00 174.74 174.73 3ix6 s LEU 149 N -8.59 -0.50 0.04 0.00 0.20 -1.22 0.04 118.68 108.65 3ix6 s LEU 149 Ca -0.11 0.88 0.00 0.00 0.69 0.00 0.00 54.13 55.59 3ix6 s LEU 149 Cb 0.08 2.03 -0.03 0.00 -0.43 0.00 0.00 46.19 47.84 3ix6 s LEU 149 CO 0.87 -0.23 -0.04 0.72 -0.29 0.00 0.00 176.35 177.37 3ix6 s PHE 150 N -0.08 0.45 -0.01 5.38 -0.12 -0.14 0.23 117.98 123.68 3ix6 s PHE 150 Ca 0.01 -0.67 0.03 0.00 -0.05 0.00 0.00 56.93 56.24 3ix6 s PHE 150 Cb -0.04 -0.30 -0.00 0.00 -0.63 0.00 0.00 43.02 42.05 3ix6 s PHE 150 CO -0.02 -0.21 -0.08 -1.14 -0.05 0.00 0.00 175.22 173.72 3ix6 s GLN 151 N -2.21 0.75 0.36 1.99 0.74 0.73 -1.04 119.66 120.98 3ix6 s GLN 151 Ca -0.08 -0.30 0.07 0.00 0.05 0.00 0.00 55.36 55.11 3ix6 s GLN 151 Cb -0.05 -0.72 -0.02 0.00 1.10 0.00 0.00 33.01 33.32 3ix6 s GLN 151 CO -0.03 0.16 0.37 -0.06 -0.55 0.00 0.00 175.29 175.17 3ix6 s PHE 152 N -0.08 2.89 -0.27 1.67 0.08 0.24 0.66 117.98 123.17 3ix6 s PHE 152 Ca 0.01 -0.34 -0.25 0.00 0.12 0.00 0.00 56.93 56.48 3ix6 s PHE 152 Cb -0.05 -1.96 0.07 0.00 -0.57 0.00 0.00 43.02 40.51 3ix6 s PHE 152 CO -0.00 0.03 0.72 -0.47 -0.10 0.00 0.00 175.22 175.40 3ix6 s TYR 153 N -2.32 -0.80 -0.12 0.36 5.04 -0.08 -4.50 117.35 114.93 3ix6 s TYR 153 Ca 0.44 1.93 0.01 0.00 -2.44 0.00 0.00 57.07 57.01 3ix6 s TYR 153 Cb -0.06 0.28 0.02 0.00 0.35 0.00 0.00 41.96 42.55 3ix6 s TYR 153 CO 0.28 -0.38 -0.15 0.08 -1.34 0.00 0.00 175.55 174.04 3ix6 s VAL 154 N 0.42 1.51 -0.08 3.14 1.01 -1.25 -0.02 120.40 125.14 3ix6 s VAL 154 Ca -0.00 -0.63 -0.07 0.00 0.00 0.00 0.00 61.98 61.28 3ix6 s VAL 154 Cb -0.05 -1.40 0.02 0.00 0.00 0.00 0.00 36.38 34.95 3ix6 s VAL 154 CO 0.00 0.45 0.21 0.00 0.00 0.00 0.00 175.10 175.76 3ix6 s ALA 155 N 1.22 -0.52 -1.53 5.51 0.00 -0.81 -4.74 121.76 120.88 3ix6 s ALA 155 Ca -0.01 0.57 -0.07 0.00 0.00 0.00 0.00 51.96 52.44 3ix6 s ALA 155 Cb -0.14 -0.32 0.06 0.00 0.00 0.00 0.00 23.12 22.71 3ix6 s ALA 155 CO -0.06 -0.10 0.49 0.09 0.00 0.00 0.00 175.76 176.18 3ix6 n ASN 156 N 2.90 -1.18 -0.41 0.00 5.03 -1.26 -0.52 115.26 119.81 3ix6 n ASN 156 Ca -0.13 -1.05 -0.05 0.00 0.87 0.00 0.00 54.58 54.22 3ix6 n ASN 156 Cb 0.58 -2.74 -0.02 0.00 -1.02 0.00 0.00 39.78 36.58 3ix6 n ASN 156 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3ix6 n GLY 157 N -1.85 0.73 3.34 7.41 0.00 -1.26 -4.99 105.19 108.57 3ix6 n GLY 157 Ca -0.18 -0.27 -0.32 0.00 0.00 0.00 0.00 46.02 45.26 3ix6 n GLY 157 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ix6 s ARG 158 N -1.97 2.43 -0.30 1.61 0.52 0.32 -0.88 118.95 120.68 3ix6 s ARG 158 Ca 0.00 -0.85 -0.13 0.00 -0.52 0.00 0.00 55.73 54.24 3ix6 s ARG 158 Cb 0.00 -2.20 -0.04 0.00 0.52 0.00 0.00 34.95 33.23 3ix6 s ARG 158 CO 0.00 0.50 0.25 -1.17 0.02 0.00 0.00 175.30 174.90 3ix6 s LEU 159 N -0.44 4.17 0.24 2.53 2.96 0.15 -1.93 118.68 126.35 3ix6 s LEU 159 Ca 0.05 -0.06 0.07 0.00 -0.22 0.00 0.00 54.13 53.97 3ix6 s LEU 159 Cb -0.12 -2.21 -0.04 0.00 0.50 0.00 0.00 46.19 44.33 3ix6 s LEU 159 CO 0.01 -0.14 0.13 -0.44 -1.32 0.00 0.00 176.35 174.59 3ix6 s SER 160 N 1.73 5.25 -0.04 3.68 0.01 0.97 0.35 113.70 125.64 3ix6 s SER 160 Ca 0.09 -0.33 -0.02 0.00 1.31 0.00 0.00 55.95 57.00 3ix6 s SER 160 Cb -0.16 -1.26 0.03 0.00 0.21 0.00 0.00 66.02 64.84 3ix6 s SER 160 CO 0.11 -0.00 0.09 0.00 0.41 0.00 0.00 173.24 173.84 3ix6 s GLN 162 N 0.91 3.14 -0.15 0.00 0.74 0.21 0.17 119.66 124.67 3ix6 s GLN 162 Ca -0.07 -0.82 -0.05 0.00 0.05 0.00 0.00 55.36 54.47 3ix6 s GLN 162 Cb -0.10 -2.44 -0.04 0.00 1.10 0.00 0.00 33.01 31.53 3ix6 s GLN 162 CO -0.04 0.13 0.03 -1.17 -0.55 0.00 0.00 175.29 173.69 3ix6 s LEU 163 N 0.50 3.65 -0.39 3.68 2.96 -0.17 -0.19 118.68 128.72 3ix6 s LEU 163 Ca -0.13 0.06 -0.17 0.00 -0.22 0.00 0.00 54.13 53.67 3ix6 s LEU 163 Cb -0.17 -1.90 0.01 0.00 0.50 0.00 0.00 46.19 44.64 3ix6 s LEU 163 CO 0.05 0.22 0.41 -0.47 -1.32 0.00 0.00 176.35 175.25 3ix6 s TYR 164 N 0.07 3.18 -0.29 5.38 5.04 0.13 -0.69 117.35 130.18 3ix6 s TYR 164 Ca 0.04 -0.24 -0.04 0.00 -2.44 0.00 0.00 57.07 54.38 3ix6 s TYR 164 Cb -0.13 -2.82 0.03 0.00 0.35 0.00 0.00 41.96 39.39 3ix6 s TYR 164 CO 0.01 -0.61 0.02 -1.14 -1.34 0.00 0.00 175.55 172.50 3ix6 s GLN 165 N 2.10 2.81 0.47 4.97 0.74 0.67 -1.26 119.66 130.17 3ix6 s GLN 165 Ca 0.12 -1.02 0.25 0.00 0.05 0.00 0.00 55.36 54.75 3ix6 s GLN 165 Cb -0.17 -3.22 1.15 0.00 1.10 0.00 0.00 33.01 31.88 3ix6 s GLN 165 CO 0.13 -0.50 1.94 0.07 -0.55 0.00 0.00 175.29 176.38 3ix6 h ARG 166 N 8.11 0.00 -2.76 1.67 0.11 -1.54 0.20 114.38 120.17 3ix6 h ARG 166 Ca -0.29 0.00 -0.15 0.00 0.10 0.00 0.00 59.98 59.64 3ix6 h ARG 166 Cb 1.10 0.00 -0.29 0.00 1.11 0.00 0.00 29.97 31.89 3ix6 h ARG 166 CO 0.58 0.19 -0.41 0.45 0.10 0.00 0.00 179.97 180.89 3ix6 s SER 167 N -6.22 -0.23 -0.15 0.08 0.15 -1.26 -1.37 113.70 104.69 3ix6 s SER 167 Ca -0.01 0.76 -0.04 0.00 0.70 0.00 0.00 55.95 57.36 3ix6 s SER 167 Cb 0.12 0.77 0.07 0.00 -1.71 0.00 0.00 66.02 65.27 3ix6 s SER 167 CO 0.62 -0.20 0.18 0.00 1.20 0.00 0.00 173.24 175.03 3ix6 s ALA 168 N 1.79 -0.11 -0.75 5.45 0.00 -0.05 -4.91 121.76 123.19 3ix6 s ALA 168 Ca -0.06 0.28 -0.27 0.00 0.00 0.00 0.00 51.96 51.91 3ix6 s ALA 168 Cb -0.10 -1.07 0.03 0.00 0.00 0.00 0.00 23.12 21.98 3ix6 s ALA 168 CO -0.11 -0.95 1.28 0.34 0.00 0.00 0.00 175.76 176.33 3ix6 s ASP 169 N 2.28 6.17 0.60 0.00 -1.08 -1.26 -0.23 116.67 123.15 3ix6 s ASP 169 Ca 0.04 -0.47 0.34 0.00 -0.52 0.00 0.00 52.55 51.94 3ix6 s ASP 169 Cb -0.14 -2.56 1.94 0.00 -1.46 0.00 0.00 42.92 40.70 3ix6 s ASP 169 CO -0.09 -1.83 2.25 0.16 0.52 0.00 0.00 175.17 176.18 3ix6 h ILE 170 N 6.05 0.35 0.01 4.11 3.07 -1.04 0.24 117.51 130.29 3ix6 h ILE 170 Ca -0.27 -0.11 -0.32 0.00 1.55 0.00 0.00 64.86 65.71 3ix6 h ILE 170 Cb 1.05 1.08 -0.05 0.00 -0.27 0.00 0.00 36.82 38.63 3ix6 h ILE 170 CO 1.28 0.02 -1.76 0.33 -1.05 0.00 0.00 178.15 176.97 3ix6 n PHE 171 N -3.55 0.68 0.01 0.16 7.35 -1.26 -4.25 117.46 116.60 3ix6 n PHE 171 Ca -0.03 0.28 0.04 0.00 -0.76 0.00 0.00 57.45 56.98 3ix6 n PHE 171 Cb 0.11 -1.07 -0.11 0.00 0.35 0.00 0.00 39.48 38.76 3ix6 n PHE 171 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 3ix6 n LEU 172 N -4.28 0.42 -0.09 -2.13 4.77 -1.23 -4.72 117.00 109.74 3ix6 n LEU 172 Ca -0.40 0.17 -0.19 0.00 -0.03 0.00 0.00 56.01 55.57 3ix6 n LEU 172 Cb 0.78 0.10 -0.06 0.00 -2.33 0.00 0.00 43.42 41.91 3ix6 n LEU 172 CO 0.15 0.10 -1.05 0.61 -1.33 0.00 0.00 177.39 175.87 3ix6 n GLY 173 N 1.37 -0.34 0.25 -0.72 0.00 -0.11 -4.69 105.19 100.95 3ix6 n GLY 173 Ca -0.10 -0.13 0.02 0.00 0.00 0.00 0.00 46.02 45.82 3ix6 n GLY 173 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3ix6 h VAL 174 N -0.71 0.49 -0.89 1.61 2.07 -1.23 -0.81 116.25 116.79 3ix6 h VAL 174 Ca -0.41 -0.05 0.11 0.00 0.82 0.00 0.00 66.70 67.16 3ix6 h VAL 174 Cb 1.30 0.32 -0.08 0.00 -1.52 0.00 0.00 31.29 31.32 3ix6 h VAL 174 CO -0.25 0.03 0.52 -0.65 0.02 0.00 0.00 177.57 177.24 3ix6 h PRO 175 N 0.16 0.82 -0.29 1.57 0.11 -1.84 0.12 132.00 132.64 3ix6 h PRO 175 Ca 0.35 -0.05 -0.05 0.00 0.11 0.00 0.00 66.00 66.36 3ix6 h PRO 175 Cb 0.58 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 31.49 3ix6 h PRO 175 CO -0.53 0.54 -0.02 0.74 -0.21 0.00 0.00 178.00 178.52 3ix6 h PHE 176 N 0.85 0.59 -0.74 0.65 0.04 -1.47 -2.21 116.94 114.65 3ix6 h PHE 176 Ca 0.44 -0.11 0.06 0.00 2.80 0.00 0.00 57.97 61.16 3ix6 h PHE 176 Cb 0.43 -0.15 -0.06 0.00 2.20 0.00 0.00 35.95 38.38 3ix6 h PHE 176 CO -0.04 0.69 0.44 -0.91 -0.60 0.00 0.00 178.31 177.88 3ix6 h ASN 177 N 0.31 0.66 -0.29 2.17 -0.26 -0.34 -0.71 115.58 117.13 3ix6 h ASN 177 Ca 0.08 0.02 -0.02 0.00 -0.56 0.00 0.00 56.30 55.82 3ix6 h ASN 177 Cb 0.47 -0.11 -0.01 0.00 -1.06 0.00 0.00 38.32 37.61 3ix6 h ASN 177 CO 0.02 0.43 0.10 0.40 -1.06 0.00 0.00 177.43 177.32 3ix6 h ILE 178 N 0.80 1.19 -0.41 2.81 2.04 -0.68 -2.56 117.51 120.70 3ix6 h ILE 178 Ca 0.33 -0.59 0.05 0.00 1.00 0.00 0.00 64.86 65.64 3ix6 h ILE 178 Cb 0.18 1.03 -0.04 0.00 -0.74 0.00 0.00 36.82 37.25 3ix6 h ILE 178 CO -0.18 0.20 0.16 0.00 0.00 0.00 0.00 178.15 178.33 3ix6 h ALA 179 N 0.94 0.49 -0.05 1.87 0.00 -0.94 0.46 119.26 122.04 3ix6 h ALA 179 Ca 0.10 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 3ix6 h ALA 179 Cb 0.21 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 3ix6 h ALA 179 CO -0.01 -0.22 0.03 1.03 0.00 0.00 0.00 179.25 180.08 3ix6 h SER 180 N 0.34 0.06 0.56 0.00 0.87 -0.98 0.34 113.55 114.73 3ix6 h SER 180 Ca 0.19 -0.03 -0.21 0.00 -1.23 0.00 0.00 61.79 60.50 3ix6 h SER 180 Cb 0.15 -0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.09 3ix6 h SER 180 CO -0.18 0.07 -0.94 1.88 -0.53 0.00 0.00 176.83 177.14 3ix6 h TYR 181 N 0.03 0.37 -0.48 2.24 0.05 -1.40 -0.92 116.97 116.87 3ix6 h TYR 181 Ca 0.02 -0.21 0.01 0.00 0.05 0.00 0.00 58.73 58.59 3ix6 h TYR 181 Cb 0.03 -0.04 -0.03 0.00 1.01 0.00 0.00 36.73 37.71 3ix6 h TYR 181 CO -0.06 1.05 0.31 0.00 -1.05 0.00 0.00 178.16 178.40 3ix6 h ALA 182 N 0.88 0.60 -0.46 3.88 0.00 -0.82 -0.58 119.26 122.77 3ix6 h ALA 182 Ca -0.06 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 3ix6 h ALA 182 Cb 1.59 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 19.18 3ix6 h ALA 182 CO 0.15 0.03 0.08 1.25 0.00 0.00 0.00 179.25 180.77 3ix6 h LEU 183 N 0.63 0.72 -0.58 0.00 5.85 -0.77 -1.97 115.31 119.18 3ix6 h LEU 183 Ca 0.18 -0.25 0.03 0.00 0.84 0.00 0.00 57.88 58.67 3ix6 h LEU 183 Cb -0.05 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 40.75 3ix6 h LEU 183 CO -0.05 0.79 0.35 0.25 -0.34 0.00 0.00 178.44 179.43 3ix6 h LEU 184 N 0.62 0.56 -0.48 2.25 5.85 -0.90 0.14 115.31 123.34 3ix6 h LEU 184 Ca 0.14 0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.89 3ix6 h LEU 184 Cb 0.37 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.25 3ix6 h LEU 184 CO 0.01 0.39 0.28 0.74 -0.34 0.00 0.00 178.44 179.51 3ix6 h THR 185 N 0.68 1.03 -0.69 1.05 2.02 -0.90 0.13 112.91 116.25 3ix6 h THR 185 Ca 0.24 -0.19 -0.05 0.00 0.77 0.00 0.00 66.41 67.17 3ix6 h THR 185 Cb 0.04 0.43 -0.03 0.00 -1.74 0.00 0.00 68.15 66.85 3ix6 h THR 185 CO -0.11 0.10 0.22 0.24 0.37 0.00 0.00 175.52 176.34 3ix6 h MET 186 N 0.55 1.06 0.09 6.66 2.86 -0.67 0.99 114.93 126.48 3ix6 h MET 186 Ca 0.20 -0.23 -0.00 0.00 -2.06 0.00 0.00 59.70 57.60 3ix6 h MET 186 Cb 0.04 -0.15 0.00 0.00 0.06 0.00 0.00 31.60 31.54 3ix6 h MET 186 CO -0.10 0.92 -0.04 0.52 1.06 0.00 0.00 176.91 179.27 3ix6 h MET 187 N 1.00 -0.12 -0.57 1.72 2.07 -0.53 -1.25 114.93 117.26 3ix6 h MET 187 Ca 0.22 0.01 -0.00 0.00 -2.07 0.00 0.00 59.70 57.86 3ix6 h MET 187 Cb 0.30 0.03 -0.03 0.00 -1.87 0.00 0.00 31.60 30.03 3ix6 h MET 187 CO -0.01 0.01 0.35 0.82 1.07 0.00 0.00 176.91 179.15 3ix6 h ILE 188 N -0.22 1.17 -0.66 -1.22 2.04 -0.60 -2.30 117.51 115.72 3ix6 h ILE 188 Ca -0.01 -0.36 0.04 0.00 1.00 0.00 0.00 64.86 65.53 3ix6 h ILE 188 Cb 0.18 0.38 -0.05 0.00 -0.74 0.00 0.00 36.82 36.60 3ix6 h ILE 188 CO 0.02 0.17 0.40 0.00 0.00 0.00 0.00 178.15 178.73 3ix6 h ALA 189 N 1.18 0.87 -0.28 1.87 0.00 -0.69 -1.60 119.26 120.60 3ix6 h ALA 189 Ca 0.20 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.12 3ix6 h ALA 189 Cb -0.03 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 3ix6 h ALA 189 CO -0.04 0.12 0.17 0.37 0.00 0.00 0.00 179.25 179.87 3ix6 h GLN 190 N 0.76 0.34 0.00 0.00 4.15 -0.84 0.68 115.11 120.20 3ix6 h GLN 190 Ca 0.28 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.68 3ix6 h GLN 190 Cb 0.08 -0.08 0.00 0.00 0.21 0.00 0.00 27.48 27.69 3ix6 h GLN 190 CO -0.13 0.22 0.00 1.33 -1.93 0.00 0.00 178.83 178.32 3ix6 n VAL 191 N -4.92 0.39 0.25 2.39 0.24 -0.90 -2.84 118.33 112.94 3ix6 n VAL 191 Ca -0.01 -0.09 0.10 0.00 -2.04 0.00 0.00 64.34 62.30 3ix6 n VAL 191 Cb 0.04 -0.62 0.18 0.00 -1.47 0.00 0.00 33.84 31.97 3ix6 n VAL 191 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 3ix6 n THR 192 N -1.88 0.50 -1.04 3.34 -2.24 -0.65 -4.90 114.28 107.42 3ix6 n THR 192 Ca 0.06 -0.75 -0.01 0.00 -2.27 0.00 0.00 64.05 61.07 3ix6 n THR 192 Cb 0.36 0.95 -0.01 0.00 -2.10 0.00 0.00 70.33 69.54 3ix6 n THR 192 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ix6 n GLY 193 N 1.22 0.49 3.71 3.38 0.00 -0.81 -4.96 105.19 108.22 3ix6 n GLY 193 Ca 0.16 -0.93 -0.23 0.00 0.00 0.00 0.00 46.02 45.02 3ix6 n GLY 193 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ix6 s LEU 194 N -0.30 3.37 0.34 0.99 1.43 0.17 -5.03 118.68 119.65 3ix6 s LEU 194 Ca 0.00 -0.57 -0.06 0.00 -1.03 0.00 0.00 54.13 52.47 3ix6 s LEU 194 Cb 0.00 -1.89 -0.05 0.00 0.03 0.00 0.00 46.19 44.28 3ix6 s LEU 194 CO 0.00 -0.07 0.64 -0.54 0.23 0.00 0.00 176.35 176.61 3ix6 s LYS 195 N -3.76 3.67 0.19 1.70 1.02 -0.06 -4.00 119.74 118.51 3ix6 s LYS 195 Ca 0.33 0.16 -0.30 0.00 0.02 0.00 0.00 55.97 56.18 3ix6 s LYS 195 Cb -0.06 -2.54 -0.09 0.00 -0.52 0.00 0.00 37.83 34.62 3ix6 s LYS 195 CO 0.22 0.10 1.29 -2.14 -0.92 0.00 0.00 175.35 173.89 3ix6 s PRO 196 N -3.78 4.41 0.00 -1.68 0.02 -1.26 -0.67 135.00 132.03 3ix6 s PRO 196 Ca 0.46 2.02 0.00 0.00 0.02 0.00 0.00 61.00 63.50 3ix6 s PRO 196 Cb -0.10 -3.21 0.00 0.00 0.02 0.00 0.00 34.50 31.21 3ix6 s PRO 196 CO 0.32 -0.22 0.00 0.41 -0.33 0.00 0.00 177.00 177.17 3ix6 n GLY 197 N 2.34 0.42 3.54 0.52 0.00 0.15 -4.39 105.19 107.78 3ix6 n GLY 197 Ca 0.06 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.79 3ix6 n GLY 197 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ix6 s GLU 198 N 2.97 1.97 -0.22 1.61 2.02 -1.26 -1.10 118.70 124.70 3ix6 s GLU 198 Ca 0.00 -1.14 -0.08 0.00 0.02 0.00 0.00 54.97 53.77 3ix6 s GLU 198 Cb 0.00 -2.20 -0.04 0.00 0.10 0.00 0.00 34.13 32.00 3ix6 s GLU 198 CO 0.00 0.48 0.08 0.12 0.02 0.00 0.00 175.26 175.96 3ix6 s PHE 199 N -1.28 3.19 -0.19 1.61 5.36 0.50 -1.59 117.98 125.58 3ix6 s PHE 199 Ca 0.21 -0.07 -0.04 0.00 -0.96 0.00 0.00 56.93 56.07 3ix6 s PHE 199 Cb -0.10 -2.17 -0.02 0.00 -0.34 0.00 0.00 43.02 40.39 3ix6 s PHE 199 CO 0.12 -0.04 -0.03 0.42 -1.46 0.00 0.00 175.22 174.23 3ix6 s ILE 200 N 0.93 3.71 -0.27 3.12 1.09 0.13 -1.07 121.20 128.83 3ix6 s ILE 200 Ca 0.04 -0.40 -0.02 0.00 -1.10 0.00 0.00 60.65 59.17 3ix6 s ILE 200 Cb -0.14 -2.66 0.03 0.00 -1.06 0.00 0.00 42.46 38.64 3ix6 s ILE 200 CO 0.03 0.45 -0.02 -2.28 -0.10 0.00 0.00 174.94 173.02 3ix6 s HIS 201 N 0.93 3.14 -0.16 3.97 2.46 0.53 -1.00 115.29 125.16 3ix6 s HIS 201 Ca 0.00 -1.57 -0.05 0.00 0.47 0.00 0.00 55.06 53.91 3ix6 s HIS 201 Cb -0.15 -2.10 -0.03 0.00 -0.13 0.00 0.00 32.58 30.17 3ix6 s HIS 201 CO 0.01 -0.73 0.01 0.99 -2.47 0.00 0.00 174.74 172.55 3ix6 s THR 202 N 1.33 4.36 -0.01 0.89 2.01 0.14 -1.29 115.64 123.06 3ix6 s THR 202 Ca -0.01 -0.19 0.04 0.00 0.31 0.00 0.00 61.69 61.83 3ix6 s THR 202 Cb -0.18 -2.93 -0.03 0.00 0.01 0.00 0.00 72.50 69.37 3ix6 s THR 202 CO -0.02 0.49 -0.12 -0.76 -0.69 0.00 0.00 174.62 173.52 3ix6 s LEU 203 N 0.22 2.90 0.00 4.42 1.43 -0.15 -0.24 118.68 127.26 3ix6 s LEU 203 Ca 0.01 -0.22 0.00 0.00 -1.03 0.00 0.00 54.13 52.89 3ix6 s LEU 203 Cb -0.13 -1.66 0.00 0.00 0.03 0.00 0.00 46.19 44.43 3ix6 s LEU 203 CO 0.02 0.30 0.00 0.61 0.23 0.00 0.00 176.35 177.51 3ix6 n GLY 204 N 1.83 1.34 3.55 -3.19 0.00 0.72 -2.15 105.19 107.30 3ix6 n GLY 204 Ca -0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.45 3ix6 n GLY 204 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3ix6 s ASP 205 N -1.00 6.17 -0.41 1.61 -1.08 -0.47 -0.28 116.67 121.21 3ix6 s ASP 205 Ca 0.00 -0.58 -0.15 0.00 -0.52 0.00 0.00 52.55 51.30 3ix6 s ASP 205 Cb 0.00 -2.56 0.02 0.00 -1.46 0.00 0.00 42.92 38.92 3ix6 s ASP 205 CO 0.00 -1.81 0.30 0.00 0.52 0.00 0.00 175.17 174.18 3ix6 s ALA 206 N 5.78 3.48 0.14 3.66 0.00 0.22 -0.87 121.76 134.16 3ix6 s ALA 206 Ca 0.38 -1.70 0.06 0.00 0.00 0.00 0.00 51.96 50.70 3ix6 s ALA 206 Cb -0.07 -2.88 -0.04 0.00 0.00 0.00 0.00 23.12 20.13 3ix6 s ALA 206 CO 0.11 -1.44 -0.13 -3.38 0.00 0.00 0.00 175.76 170.92 3ix6 s HIS 207 N 1.69 1.37 -0.05 0.00 -3.43 0.68 -1.37 115.29 114.19 3ix6 s HIS 207 Ca 0.05 -0.62 0.02 0.00 -0.80 0.00 0.00 55.06 53.71 3ix6 s HIS 207 Cb -0.19 -0.70 0.02 0.00 -1.43 0.00 0.00 32.58 30.27 3ix6 s HIS 207 CO 0.10 0.14 -0.08 -1.50 -2.00 0.00 0.00 174.74 171.40 3ix6 s ILE 208 N -2.56 0.78 0.37 -5.38 2.07 -0.01 -0.33 121.20 116.14 3ix6 s ILE 208 Ca 0.12 -0.28 -0.25 0.00 -1.41 0.00 0.00 60.65 58.82 3ix6 s ILE 208 Cb -0.02 -0.75 -0.09 0.00 0.13 0.00 0.00 42.46 41.72 3ix6 s ILE 208 CO 0.03 0.27 1.06 -0.31 -1.91 0.00 0.00 174.94 174.07 3ix6 s TYR 209 N 0.72 3.36 0.53 3.50 2.02 -1.26 -0.40 117.35 125.82 3ix6 s TYR 209 Ca -0.12 1.67 0.22 0.00 -0.37 0.00 0.00 57.07 58.47 3ix6 s TYR 209 Cb -0.14 -3.15 1.37 0.00 -0.40 0.00 0.00 41.96 39.63 3ix6 s TYR 209 CO 0.02 -0.56 2.06 0.66 -1.57 0.00 0.00 175.55 176.16 3ix6 h SER 210 N 2.85 0.00 0.24 2.29 4.64 -1.70 0.19 113.55 122.05 3ix6 h SER 210 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 3ix6 h SER 210 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 3ix6 h SER 210 CO 0.64 0.00 0.00 -0.46 -0.87 0.00 0.00 176.83 176.14 3ix6 n ASN 211 N -4.40 0.00 -0.11 4.97 6.94 -1.26 -2.30 115.26 119.10 3ix6 n ASN 211 Ca 0.04 -0.13 0.04 0.00 -0.02 0.00 0.00 54.58 54.51 3ix6 n ASN 211 Cb 0.39 -0.21 -0.01 0.00 -2.36 0.00 0.00 39.78 37.59 3ix6 n ASN 211 CO 0.00 0.00 0.00 1.41 -1.03 0.00 0.00 177.26 177.64 3ix6 n HIS 212 N -1.21 0.00 -0.19 -2.53 8.25 0.64 -4.76 115.22 115.43 3ix6 n HIS 212 Ca 0.10 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.49 3ix6 n HIS 212 Cb 0.12 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.22 3ix6 n HIS 212 CO 0.00 0.00 0.00 0.74 0.64 0.00 0.00 176.34 177.72 3ix6 h PHE 213 N 0.54 -1.04 -0.36 4.41 0.04 -1.37 -0.83 116.94 118.34 3ix6 h PHE 213 Ca 0.00 0.07 -0.17 0.00 2.80 0.00 0.00 57.97 60.67 3ix6 h PHE 213 Cb 0.22 0.54 -0.00 0.00 2.20 0.00 0.00 35.95 38.90 3ix6 h PHE 213 CO 0.00 -0.40 -0.44 1.49 -0.60 0.00 0.00 178.31 178.36 3ix6 h GLU 214 N -0.20 0.93 -0.64 1.51 4.57 -1.86 -0.50 114.58 118.39 3ix6 h GLU 214 Ca 0.20 -0.52 -0.02 0.00 -1.18 0.00 0.00 59.36 57.84 3ix6 h GLU 214 Cb 0.56 0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 29.15 3ix6 h GLU 214 CO -0.66 1.17 0.31 1.96 -1.18 0.00 0.00 179.01 180.61 3ix6 h GLN 215 N 0.74 0.91 -0.19 1.92 4.20 -1.80 0.27 115.11 121.17 3ix6 h GLN 215 Ca 0.05 -0.12 -0.03 0.00 0.06 0.00 0.00 58.65 58.61 3ix6 h GLN 215 Cb 1.04 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 28.64 3ix6 h GLN 215 CO 0.10 0.71 0.01 0.00 -0.67 0.00 0.00 178.83 178.98 3ix6 h ALA 216 N 1.43 0.25 -0.52 3.87 0.00 -0.88 -1.81 119.26 121.60 3ix6 h ALA 216 Ca 0.22 -0.19 0.10 0.00 0.00 0.00 0.00 54.91 55.04 3ix6 h ALA 216 Cb 0.10 -0.07 -0.09 0.00 0.00 0.00 0.00 17.79 17.73 3ix6 h ALA 216 CO -0.03 -0.05 -0.01 0.00 0.00 0.00 0.00 179.25 179.16 3ix6 h ARG 217 N 0.09 0.11 -0.53 0.00 2.47 -0.77 -1.41 114.38 114.33 3ix6 h ARG 217 Ca 0.05 -0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.77 3ix6 h ARG 217 Cb 0.37 -0.02 -0.03 0.00 -1.65 0.00 0.00 29.97 28.64 3ix6 h ARG 217 CO 0.01 0.07 0.34 -0.07 0.56 0.00 0.00 179.97 180.88 3ix6 h LEU 218 N 0.11 0.62 -1.42 3.04 3.38 -0.80 -2.44 115.31 117.80 3ix6 h LEU 218 Ca 0.27 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 58.15 3ix6 h LEU 218 Cb 0.41 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 3ix6 h LEU 218 CO -0.45 0.46 -0.29 1.56 0.09 0.00 0.00 178.44 179.81 3ix6 h GLN 219 N 0.73 0.00 0.00 1.13 4.20 -0.38 -2.11 115.11 118.68 3ix6 h GLN 219 Ca 0.19 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.90 3ix6 h GLN 219 Cb -0.06 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.72 3ix6 h GLN 219 CO -0.04 0.29 -0.00 -0.07 -0.67 0.00 0.00 178.83 178.34 3ix6 h LEU 220 N 0.00 0.00 0.04 1.46 3.38 -0.98 -2.72 115.31 116.48 3ix6 h LEU 220 Ca -0.00 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.70 3ix6 h LEU 220 Cb 0.53 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.25 3ix6 h LEU 220 CO 0.04 0.00 -1.38 0.71 0.09 0.00 0.00 178.44 177.90 3ix6 h THR 221 N 0.00 1.27 -2.24 0.22 1.35 -1.47 -3.47 112.91 108.57 3ix6 h THR 221 Ca -0.00 -3.01 -0.59 0.00 -0.55 0.00 0.00 66.41 62.26 3ix6 h THR 221 Cb 0.03 2.69 0.06 0.00 -1.73 0.00 0.00 68.15 69.20 3ix6 h THR 221 CO 0.00 0.78 0.78 0.54 -0.25 0.00 0.00 175.52 177.36 3ix6 n ARG 222 N -3.29 2.09 -2.41 4.72 3.00 -1.03 -4.90 116.66 114.84 3ix6 n ARG 222 Ca -0.10 0.75 -0.43 0.00 -0.01 0.00 0.00 57.85 58.07 3ix6 n ARG 222 Cb 1.01 -2.51 -0.02 0.00 0.00 0.00 0.00 32.46 30.93 3ix6 n ARG 222 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.63 178.58 3ix6 s THR 223 N 0.88 4.20 0.12 0.55 -4.23 -1.26 -4.95 115.64 110.95 3ix6 s THR 223 Ca 0.79 1.50 -0.30 0.00 -1.18 0.00 0.00 61.69 62.50 3ix6 s THR 223 Cb -0.70 -3.97 -0.07 0.00 1.34 0.00 0.00 72.50 69.11 3ix6 s THR 223 CO 0.38 -0.06 1.17 -2.16 -0.54 0.00 0.00 174.62 173.41 3ix6 s PRO 224 N 2.83 4.49 0.20 3.99 0.04 -1.26 -5.01 135.00 140.28 3ix6 s PRO 224 Ca 0.56 1.77 0.05 0.00 0.04 0.00 0.00 61.00 63.43 3ix6 s PRO 224 Cb -0.24 -3.30 -0.03 0.00 0.04 0.00 0.00 34.50 30.96 3ix6 s PRO 224 CO 0.19 -0.12 0.24 0.15 0.04 0.00 0.00 177.00 177.50 3ix6 s LYS 225 N 0.36 3.17 0.14 4.56 1.02 -1.26 -5.05 119.74 122.68 3ix6 s LYS 225 Ca 0.55 -0.82 -0.34 0.00 0.02 0.00 0.00 55.97 55.37 3ix6 s LYS 225 Cb -0.30 -2.76 -0.16 0.00 -0.52 0.00 0.00 37.83 34.08 3ix6 s LYS 225 CO 0.32 0.46 1.22 1.63 -0.92 0.00 0.00 175.35 178.06 3ix6 n LYS 226 N -0.86 1.15 -2.08 1.68 5.02 -1.26 -4.90 118.16 116.90 3ix6 n LYS 226 Ca -0.08 0.41 -0.39 0.00 -2.02 0.00 0.00 58.31 56.23 3ix6 n LYS 226 Cb 0.56 -1.96 -0.01 0.00 -0.02 0.00 0.00 35.03 33.61 3ix6 n LYS 226 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3ix6 s LEU 227 N 0.60 4.20 0.92 -0.35 1.43 -1.26 -5.01 118.68 119.21 3ix6 s LEU 227 Ca 0.77 2.61 -0.12 0.00 -1.03 0.00 0.00 54.13 56.36 3ix6 s LEU 227 Cb -0.89 -3.93 0.14 0.00 0.03 0.00 0.00 46.19 41.54 3ix6 s LEU 227 CO 0.50 -0.84 1.09 -2.16 0.23 0.00 0.00 176.35 175.18 3ix6 s PRO 228 N -2.26 1.10 -0.16 1.29 0.04 -1.26 -4.73 135.00 129.02 3ix6 s PRO 228 Ca 0.57 0.84 -0.06 0.00 0.04 0.00 0.00 61.00 62.39 3ix6 s PRO 228 Cb -0.37 -1.79 -0.04 0.00 0.04 0.00 0.00 34.50 32.34 3ix6 s PRO 228 CO 0.47 -2.36 0.05 0.08 0.04 0.00 0.00 177.00 175.29 3ix6 s VAL 229 N -2.90 4.70 -0.40 -0.36 1.01 -0.55 -0.24 120.40 121.66 3ix6 s VAL 229 Ca 0.64 -0.07 -0.21 0.00 0.00 0.00 0.00 61.98 62.34 3ix6 s VAL 229 Cb -0.19 -3.09 0.01 0.00 0.00 0.00 0.00 36.38 33.12 3ix6 s VAL 229 CO 0.57 0.50 0.65 -0.32 0.00 0.00 0.00 175.10 176.51 3ix6 s MET 230 N 0.07 3.47 -0.11 2.72 1.75 -1.26 -1.61 119.30 124.33 3ix6 s MET 230 Ca 0.05 -0.16 -0.20 0.00 -1.25 0.00 0.00 55.69 54.13 3ix6 s MET 230 Cb -0.12 -3.89 -0.04 0.00 2.84 0.00 0.00 34.83 33.62 3ix6 s MET 230 CO 0.01 -0.90 0.54 -1.01 -0.65 0.00 0.00 175.02 173.01 3ix6 s HIS 231 N 2.82 3.53 -0.10 4.11 3.76 0.26 -4.96 115.29 124.71 3ix6 s HIS 231 Ca 0.24 0.99 0.04 0.00 -0.15 0.00 0.00 55.06 56.18 3ix6 s HIS 231 Cb -0.14 -2.63 -0.00 0.00 1.11 0.00 0.00 32.58 30.92 3ix6 s HIS 231 CO 0.18 0.13 -0.23 0.42 -0.85 0.00 0.00 174.74 174.39 3ix6 s ILE 232 N 0.72 2.15 -0.43 0.60 1.01 -1.26 -1.27 121.20 122.72 3ix6 s ILE 232 Ca 0.29 -0.99 -0.40 0.00 0.00 0.00 0.00 60.65 59.55 3ix6 s ILE 232 Cb -0.16 -1.82 -0.16 0.00 0.01 0.00 0.00 42.46 40.33 3ix6 s ILE 232 CO 0.12 0.56 2.16 -3.20 0.00 0.00 0.00 174.94 174.58 3ix6 n ASN 233 N 3.49 1.38 0.00 3.58 5.15 0.16 -4.78 115.26 124.23 3ix6 n ASN 233 Ca -0.19 0.56 0.09 0.00 -0.60 0.00 0.00 54.58 54.45 3ix6 n ASN 233 Cb 0.53 -1.06 0.43 0.00 -0.53 0.00 0.00 39.78 39.15 3ix6 n ASN 233 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 3ix6 n PRO 234 N 7.79 0.13 0.07 1.20 -0.04 -1.26 -2.75 135.00 140.14 3ix6 n PRO 234 Ca 0.49 0.15 0.13 0.00 -0.04 0.00 0.00 63.50 64.23 3ix6 n PRO 234 Cb 0.08 -1.50 0.42 0.00 -0.04 0.00 0.00 33.50 32.46 3ix6 n PRO 234 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3ix6 n ASP 235 N -1.40 0.61 -4.68 3.54 8.00 -1.26 -4.81 116.55 116.55 3ix6 n ASP 235 Ca 0.07 0.48 -0.42 0.00 0.71 0.00 0.00 54.79 55.62 3ix6 n ASP 235 Cb 0.18 -0.59 -0.03 0.00 -0.02 0.00 0.00 41.12 40.67 3ix6 n ASP 235 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3ix6 s VAL 236 N -3.08 4.79 0.00 2.53 1.01 -1.11 -4.88 120.40 119.65 3ix6 s VAL 236 Ca 0.11 2.00 0.00 0.00 0.00 0.00 0.00 61.98 64.09 3ix6 s VAL 236 Cb 0.14 -4.29 0.00 0.00 0.00 0.00 0.00 36.38 32.23 3ix6 s VAL 236 CO 0.60 0.00 0.33 2.29 0.00 0.00 0.00 175.10 178.32 3ix6 n LYS 237 N 5.08 1.46 -4.17 2.72 2.85 -1.26 -4.68 118.16 120.16 3ix6 n LYS 237 Ca 0.08 -0.33 -0.28 0.00 -1.05 0.00 0.00 58.31 56.74 3ix6 n LYS 237 Cb 0.49 -0.82 -0.17 0.00 -0.65 0.00 0.00 35.03 33.88 3ix6 n LYS 237 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 3ix6 s ASP 238 N -0.30 2.41 0.39 -5.58 2.15 -1.26 -4.79 116.67 109.68 3ix6 s ASP 238 Ca 0.00 -0.41 0.14 0.00 0.43 0.00 0.00 52.55 52.72 3ix6 s ASP 238 Cb 0.00 -1.04 0.99 0.00 -0.30 0.00 0.00 42.92 42.57 3ix6 s ASP 238 CO 0.00 -0.04 1.86 0.25 -0.17 0.00 0.00 175.17 177.06 3ix6 h LEU 239 N 7.80 0.50 -0.47 -1.34 5.85 -1.92 0.01 115.31 125.73 3ix6 h LEU 239 Ca -0.33 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.43 3ix6 h LEU 239 Cb 1.15 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 42.13 3ix6 h LEU 239 CO 0.48 0.21 -0.01 0.49 -0.34 0.00 0.00 178.44 179.28 3ix6 n PHE 240 N -4.54 0.00 1.06 1.25 3.72 -1.26 -3.42 117.46 114.28 3ix6 n PHE 240 Ca 0.19 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.71 3ix6 n PHE 240 Cb 0.62 -0.01 0.12 0.00 -0.94 0.00 0.00 39.48 39.27 3ix6 n PHE 240 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3ix6 n ALA 241 N -0.44 2.94 -1.81 4.37 0.00 -0.01 -4.96 120.51 120.60 3ix6 n ALA 241 Ca 0.21 -0.63 -0.41 0.00 0.00 0.00 0.00 53.44 52.61 3ix6 n ALA 241 Cb 0.24 -0.86 -0.02 0.00 0.00 0.00 0.00 19.45 18.81 3ix6 n ALA 241 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 3ix6 s PHE 242 N -2.22 2.89 0.19 0.00 0.08 -1.22 -5.03 117.98 112.67 3ix6 s PHE 242 Ca 0.25 1.13 0.07 0.00 0.12 0.00 0.00 56.93 58.50 3ix6 s PHE 242 Cb 0.19 -3.87 -0.05 0.00 -0.57 0.00 0.00 43.02 38.73 3ix6 s PHE 242 CO 0.42 -2.65 -0.14 -0.98 -0.10 0.00 0.00 175.22 171.77 3ix6 s ARG 243 N -1.19 1.28 0.29 0.44 1.04 -1.26 -5.02 118.95 114.52 3ix6 s ARG 243 Ca 0.55 -1.56 0.04 0.00 -1.04 0.00 0.00 55.73 53.72 3ix6 s ARG 243 Cb -0.43 -1.03 0.73 0.00 -2.04 0.00 0.00 34.95 32.18 3ix6 s ARG 243 CO 0.51 0.17 1.71 0.35 -0.04 0.00 0.00 175.30 178.00 3ix6 h PHE 244 N 2.61 0.75 0.00 5.89 3.57 -1.95 0.11 116.94 127.91 3ix6 h PHE 244 Ca -0.38 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.16 3ix6 h PHE 244 Cb 1.21 -0.19 0.00 0.00 2.79 0.00 0.00 35.95 39.77 3ix6 h PHE 244 CO 0.70 0.01 0.00 -0.85 -2.23 0.00 0.00 178.31 175.95 3ix6 n GLU 245 N -4.98 0.03 -0.00 1.11 0.00 -1.26 -2.75 120.64 112.79 3ix6 n GLU 245 Ca 0.22 0.39 0.15 0.00 0.00 0.00 0.00 57.16 57.92 3ix6 n GLU 245 Cb 0.64 -1.57 0.86 0.00 0.00 0.00 0.00 31.44 31.37 3ix6 n GLU 245 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 3ix6 n ASP 246 N -1.63 0.12 -4.22 -1.84 8.00 0.39 -4.81 116.55 112.57 3ix6 n ASP 246 Ca 0.02 -1.10 -0.28 0.00 0.71 0.00 0.00 54.79 54.14 3ix6 n ASP 246 Cb 0.10 -0.00 -0.16 0.00 -0.02 0.00 0.00 41.12 41.04 3ix6 n ASP 246 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3ix6 s PHE 247 N -2.00 2.00 -0.16 1.24 0.08 -1.11 -0.67 117.98 117.36 3ix6 s PHE 247 Ca 0.44 -0.49 -0.04 0.00 0.12 0.00 0.00 56.93 56.96 3ix6 s PHE 247 Cb 0.21 -1.31 0.08 0.00 -0.57 0.00 0.00 43.02 41.42 3ix6 s PHE 247 CO 0.35 -0.12 0.26 0.50 -0.10 0.00 0.00 175.22 176.10 3ix6 s ARG 248 N -0.27 0.17 -0.32 0.44 3.52 -0.39 -5.01 118.95 117.09 3ix6 s ARG 248 Ca 0.02 0.55 -0.19 0.00 -0.13 0.00 0.00 55.73 55.98 3ix6 s ARG 248 Cb -0.11 -0.45 -0.01 0.00 -1.56 0.00 0.00 34.95 32.83 3ix6 s ARG 248 CO 0.01 -0.43 0.57 -1.17 -0.81 0.00 0.00 175.30 173.47 3ix6 s LEU 249 N 2.40 4.22 0.38 -0.88 2.96 -1.26 -0.57 118.68 125.91 3ix6 s LEU 249 Ca 0.04 0.23 0.08 0.00 -0.22 0.00 0.00 54.13 54.27 3ix6 s LEU 249 Cb -0.13 -2.71 -0.07 0.00 0.50 0.00 0.00 46.19 43.78 3ix6 s LEU 249 CO -0.10 -0.47 -0.02 -1.81 -1.32 0.00 0.00 176.35 172.63 3ix6 s ASP 250 N 1.70 3.90 0.00 3.68 1.01 -0.63 -4.98 116.67 121.35 3ix6 s ASP 250 Ca 0.22 -1.23 0.00 0.00 0.71 0.00 0.00 52.55 52.25 3ix6 s ASP 250 Cb -0.15 -0.40 0.00 0.00 1.01 0.00 0.00 42.92 43.38 3ix6 s ASP 250 CO 0.13 -0.33 0.00 0.61 0.21 0.00 0.00 175.17 175.78