#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nvl s ILE 5 N 0.00 0.11 1.01 2.46 -5.25 -1.26 -4.05 121.20 114.23 2nvl s ILE 5 Ca 0.00 -1.81 -0.15 0.00 -0.99 0.00 0.00 60.65 57.70 2nvl s ILE 5 Cb 0.00 -1.93 0.20 0.00 2.95 0.00 0.00 42.46 43.68 2nvl s ILE 5 CO 0.00 -0.52 1.18 -2.16 -1.79 0.00 0.00 174.94 171.65 2nvl s PRO 6 N -4.01 0.29 0.13 0.37 0.04 -1.26 -5.00 135.00 125.55 2nvl s PRO 6 Ca 0.20 0.01 0.06 0.00 0.04 0.00 0.00 61.00 61.31 2nvl s PRO 6 Cb 0.07 -1.77 -0.04 0.00 0.04 0.00 0.00 34.50 32.80 2nvl s PRO 6 CO -0.00 -2.72 -0.13 -0.51 0.04 0.00 0.00 177.00 173.67 2nvl s LEU 7 N -6.28 2.42 0.15 -3.56 1.43 -1.26 -5.08 118.68 106.50 2nvl s LEU 7 Ca 0.69 -0.84 -0.31 0.00 -1.03 0.00 0.00 54.13 52.64 2nvl s LEU 7 Cb -0.11 -0.51 -0.10 0.00 0.03 0.00 0.00 46.19 45.50 2nvl s LEU 7 CO 0.54 -0.17 1.64 -0.63 0.23 0.00 0.00 176.35 177.95 2nvl s ILE 8 N -2.30 2.61 0.00 -0.59 -1.09 -1.26 -1.53 121.20 117.04 2nvl s ILE 8 Ca 0.10 0.35 0.00 0.00 -2.23 0.00 0.00 60.65 58.87 2nvl s ILE 8 Cb -0.04 -3.23 0.00 0.00 -1.58 0.00 0.00 42.46 37.62 2nvl s ILE 8 CO 0.03 0.02 0.00 0.61 -1.23 0.00 0.00 174.94 174.36 2nvl n GLY 9 N 3.89 2.82 3.83 6.18 0.00 0.20 -5.02 105.19 117.08 2nvl n GLY 9 Ca 0.15 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.85 2nvl n GLY 9 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2nvl s GLU 10 N -0.28 3.72 0.31 1.61 2.02 -0.58 -4.72 118.70 120.77 2nvl s GLU 10 Ca 0.00 1.04 -0.28 0.00 0.02 0.00 0.00 54.97 55.75 2nvl s GLU 10 Cb 0.00 -2.10 -0.09 0.00 0.10 0.00 0.00 34.13 32.04 2nvl s GLU 10 CO 0.00 -0.47 1.04 0.50 0.02 0.00 0.00 175.26 176.35 2nvl s ARG 11 N -4.10 4.56 0.21 1.61 3.52 -1.26 -0.93 118.95 122.54 2nvl s ARG 11 Ca 0.60 1.64 -0.32 0.00 -0.13 0.00 0.00 55.73 57.52 2nvl s ARG 11 Cb -0.12 -3.01 -0.13 0.00 -1.56 0.00 0.00 34.95 30.12 2nvl s ARG 11 CO 0.34 0.19 1.54 0.34 -0.81 0.00 0.00 175.30 176.89 2nvl n PHE 12 N 0.88 2.35 -1.65 5.12 7.35 0.13 -4.82 117.46 126.80 2nvl n PHE 12 Ca 0.00 0.30 -0.48 0.00 -0.76 0.00 0.00 57.45 56.52 2nvl n PHE 12 Cb 0.47 -2.53 -0.05 0.00 0.35 0.00 0.00 39.48 37.72 2nvl n PHE 12 CO 0.00 0.00 0.00 -2.30 -0.76 0.00 0.00 176.76 173.70 2nvl n PRO 13 N 2.86 1.91 -1.74 -7.13 -0.02 -1.26 -4.50 135.00 125.12 2nvl n PRO 13 Ca 0.14 0.69 -0.42 0.00 -2.02 0.00 0.00 63.50 61.90 2nvl n PRO 13 Cb 0.31 -2.44 -0.01 0.00 -0.02 0.00 0.00 33.50 31.34 2nvl n PRO 13 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 2nvl n GLU 14 N 3.62 2.50 0.00 -0.52 4.07 -1.26 -4.40 120.64 124.66 2nvl n GLU 14 Ca 0.18 0.88 0.00 0.00 -0.06 0.00 0.00 57.16 58.16 2nvl n GLU 14 Cb 0.26 -2.58 0.00 0.00 -0.06 0.00 0.00 31.44 29.07 2nvl n GLU 14 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2nvl n MET 15 N 0.92 0.00 -3.48 5.31 0.00 -0.90 -4.99 117.12 113.98 2nvl n MET 15 Ca 0.04 0.00 -0.38 0.00 0.00 0.00 0.00 57.70 57.37 2nvl n MET 15 Cb 0.37 0.00 -0.06 0.00 0.00 0.00 0.00 33.22 33.53 2nvl n MET 15 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 175.97 174.76 2nvl s GLU 16 N -1.33 4.03 0.06 3.17 0.41 -1.26 -0.54 118.70 123.23 2nvl s GLU 16 Ca 0.00 0.36 0.01 0.00 -0.41 0.00 0.00 54.97 54.93 2nvl s GLU 16 Cb 0.00 -3.29 -0.03 0.00 -1.78 0.00 0.00 34.13 29.03 2nvl s GLU 16 CO 0.00 0.53 -0.06 0.14 -0.49 0.00 0.00 175.26 175.38 2nvl s VAL 17 N -0.52 0.44 -0.19 2.63 -7.23 0.44 -4.99 120.40 110.99 2nvl s VAL 17 Ca 0.23 -1.43 -0.06 0.00 -1.81 0.00 0.00 61.98 58.91 2nvl s VAL 17 Cb -0.16 -1.02 -0.03 0.00 0.56 0.00 0.00 36.38 35.73 2nvl s VAL 17 CO 0.11 -0.66 0.02 -0.89 -0.31 0.00 0.00 175.10 173.37 2nvl s THR 18 N -2.52 4.25 0.36 5.32 2.01 -1.26 -1.39 115.64 122.41 2nvl s THR 18 Ca -0.02 -0.22 0.06 0.00 0.31 0.00 0.00 61.69 61.82 2nvl s THR 18 Cb -0.02 -2.91 -0.07 0.00 0.01 0.00 0.00 72.50 69.51 2nvl s THR 18 CO -0.03 0.45 0.03 0.42 -0.69 0.00 0.00 174.62 174.79 2nvl s THR 19 N 0.67 1.62 -2.00 -0.82 -4.23 0.45 -0.43 115.64 110.90 2nvl s THR 19 Ca 0.01 -2.01 0.03 0.00 -1.18 0.00 0.00 61.69 58.53 2nvl s THR 19 Cb -0.14 -2.88 0.08 0.00 1.34 0.00 0.00 72.50 70.90 2nvl s THR 19 CO 0.02 -0.02 0.70 -0.90 -0.54 0.00 0.00 174.62 173.89 2nvl n ASP 20 N -0.82 0.00 -0.04 3.99 5.75 -0.54 -1.81 116.55 123.08 2nvl n ASP 20 Ca -0.04 -1.05 0.01 0.00 -0.01 0.00 0.00 54.79 53.70 2nvl n ASP 20 Cb 0.67 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.76 2nvl n ASP 20 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 2nvl n HIS 21 N -0.57 0.00 0.00 2.11 8.25 -1.26 -4.98 115.22 118.77 2nvl n HIS 21 Ca 0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.48 2nvl n HIS 21 Cb 0.01 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.12 2nvl n HIS 21 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2nvl n GLY 22 N 0.52 1.23 3.78 -1.41 0.00 -0.75 -5.07 105.19 103.49 2nvl n GLY 22 Ca 0.01 -1.99 -0.39 0.00 0.00 0.00 0.00 46.02 43.65 2nvl n GLY 22 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2nvl s VAL 23 N -1.11 4.75 -0.00 1.61 1.01 -1.26 -0.41 120.40 124.98 2nvl s VAL 23 Ca 0.00 1.32 -0.14 0.00 0.00 0.00 0.00 61.98 63.16 2nvl s VAL 23 Cb 0.00 -3.96 0.02 0.00 0.00 0.00 0.00 36.38 32.44 2nvl s VAL 23 CO 0.00 0.49 0.30 0.27 0.00 0.00 0.00 175.10 176.16 2nvl s ILE 24 N -0.72 0.06 -0.10 2.22 -4.36 -0.49 -4.98 121.20 112.84 2nvl s ILE 24 Ca 0.31 -0.53 -0.13 0.00 -0.26 0.00 0.00 60.65 60.04 2nvl s ILE 24 Cb -0.20 -0.68 -0.05 0.00 1.25 0.00 0.00 42.46 42.78 2nvl s ILE 24 CO 0.20 -0.29 0.32 -0.75 0.24 0.00 0.00 174.94 174.66 2nvl s LYS 25 N -1.60 4.04 -0.01 0.37 2.47 -1.26 -0.42 119.74 123.33 2nvl s LYS 25 Ca -0.12 0.19 0.04 0.00 -1.56 0.00 0.00 55.97 54.53 2nvl s LYS 25 Cb -0.04 -3.33 -0.03 0.00 -1.46 0.00 0.00 37.83 32.97 2nvl s LYS 25 CO 0.03 0.45 -0.13 -0.51 0.16 0.00 0.00 175.35 175.34 2nvl s LEU 26 N -0.21 2.82 0.00 5.43 1.43 0.29 -0.44 118.68 128.00 2nvl s LEU 26 Ca 0.19 -0.25 0.17 0.00 -1.03 0.00 0.00 54.13 53.22 2nvl s LEU 26 Cb -0.14 -1.62 0.76 0.00 0.03 0.00 0.00 46.19 45.22 2nvl s LEU 26 CO 0.07 0.30 1.52 -0.81 0.23 0.00 0.00 176.35 177.67 2nvl n PRO 27 N 1.88 1.39 -0.09 1.29 -0.04 -1.26 -2.11 135.00 136.05 2nvl n PRO 27 Ca -0.16 -0.59 -0.06 0.00 -0.04 0.00 0.00 63.50 62.65 2nvl n PRO 27 Cb 0.52 -1.30 0.01 0.00 -0.04 0.00 0.00 33.50 32.69 2nvl n PRO 27 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 2nvl h ASP 28 N 1.13 -0.04 -0.98 3.54 5.19 -1.92 0.15 116.42 123.49 2nvl h ASP 28 Ca 0.00 0.06 0.24 0.00 -0.62 0.00 0.00 57.03 56.71 2nvl h ASP 28 Cb 0.25 0.10 -0.08 0.00 0.18 0.00 0.00 39.33 39.78 2nvl h ASP 28 CO 0.00 0.01 0.65 -0.74 -3.12 0.00 0.00 179.24 176.04 2nvl h HIS 29 N 0.15 0.55 0.04 4.55 2.76 -1.11 -0.14 115.15 121.95 2nvl h HIS 29 Ca 0.16 0.02 -0.23 0.00 -2.20 0.00 0.00 60.37 58.12 2nvl h HIS 29 Cb 0.20 -0.16 -0.02 0.00 1.55 0.00 0.00 27.41 28.97 2nvl h HIS 29 CO -0.20 0.10 -1.21 1.88 -1.30 0.00 0.00 177.93 177.19 2nvl h TYR 30 N 0.37 0.14 -0.14 5.26 -1.99 -1.03 -3.33 116.97 116.25 2nvl h TYR 30 Ca 0.53 -0.10 0.04 0.00 2.00 0.00 0.00 58.73 61.20 2nvl h TYR 30 Cb 1.39 -0.01 -0.07 0.00 2.00 0.00 0.00 36.73 40.05 2nvl h TYR 30 CO -0.00 1.47 -0.45 0.28 -0.00 0.00 0.00 178.16 179.47 2nvl h VAL 31 N -0.75 0.11 0.00 -2.88 2.07 -0.95 -0.50 116.25 113.36 2nvl h VAL 31 Ca -0.30 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.22 2nvl h VAL 31 Cb 1.44 0.11 0.00 0.00 -1.52 0.00 0.00 31.29 31.32 2nvl h VAL 31 CO -0.10 0.00 0.65 0.28 0.02 0.00 0.00 177.57 178.42 2nvl h SER 32 N -0.51 0.00 -0.36 0.57 0.02 -1.20 1.23 113.55 113.30 2nvl h SER 32 Ca 0.07 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 2nvl h SER 32 Cb 0.64 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.18 2nvl h SER 32 CO -0.41 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 175.28 2nvl n GLN 33 N -2.29 2.32 -4.05 3.45 6.02 -0.30 -4.97 117.38 117.56 2nvl n GLN 33 Ca -0.01 -2.06 -0.28 0.00 -0.01 0.00 0.00 57.00 54.64 2nvl n GLN 33 Cb 0.66 -1.38 -0.04 0.00 1.02 0.00 0.00 30.24 30.50 2nvl n GLN 33 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2nvl n GLY 34 N 1.01 -0.24 3.26 1.08 0.00 0.42 -5.00 105.19 105.72 2nvl n GLY 34 Ca 0.15 0.18 -0.26 0.00 0.00 0.00 0.00 46.02 46.09 2nvl n GLY 34 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2nvl s LYS 35 N -6.80 1.42 0.74 1.61 -0.14 -0.59 -4.94 119.74 111.04 2nvl s LYS 35 Ca 0.04 -0.95 -0.11 0.00 -1.36 0.00 0.00 55.97 53.58 2nvl s LYS 35 Cb -0.02 -1.53 0.03 0.00 -1.68 0.00 0.00 37.83 34.63 2nvl s LYS 35 CO 0.92 0.39 1.08 -1.58 -0.76 0.00 0.00 175.35 175.41 2nvl s TRP 36 N -0.80 3.06 -0.02 3.18 0.52 -0.93 -3.99 118.94 119.94 2nvl s TRP 36 Ca 0.08 1.21 -0.09 0.00 0.02 0.00 0.00 56.10 57.32 2nvl s TRP 36 Cb -0.09 -3.02 0.01 0.00 -1.15 0.00 0.00 33.47 29.22 2nvl s TRP 36 CO 0.02 -1.44 0.20 -0.59 0.02 0.00 0.00 176.95 175.16 2nvl s PHE 37 N -3.17 -0.09 -0.30 -1.98 -0.12 -0.40 -0.78 117.98 111.14 2nvl s PHE 37 Ca 0.59 0.15 -0.07 0.00 -0.05 0.00 0.00 56.93 57.55 2nvl s PHE 37 Cb -0.13 0.02 0.01 0.00 -0.63 0.00 0.00 43.02 42.29 2nvl s PHE 37 CO 0.54 -0.27 0.09 0.08 -0.05 0.00 0.00 175.22 175.61 2nvl s VAL 38 N -0.97 4.00 -0.33 -2.49 1.01 -0.19 -0.98 120.40 120.45 2nvl s VAL 38 Ca -0.11 -0.73 -0.14 0.00 0.00 0.00 0.00 61.98 61.01 2nvl s VAL 38 Cb -0.05 -3.09 -0.02 0.00 0.00 0.00 0.00 36.38 33.22 2nvl s VAL 38 CO 0.02 0.04 0.28 -0.22 0.00 0.00 0.00 175.10 175.23 2nvl s LEU 39 N 1.50 4.41 0.03 3.92 0.20 -0.73 -1.32 118.68 126.69 2nvl s LEU 39 Ca 0.02 -0.27 0.07 0.00 0.69 0.00 0.00 54.13 54.65 2nvl s LEU 39 Cb -0.17 -2.22 -0.03 0.00 -0.43 0.00 0.00 46.19 43.33 2nvl s LEU 39 CO 0.03 -0.25 -0.20 0.72 -0.29 0.00 0.00 176.35 176.36 2nvl s PHE 40 N 1.85 2.51 0.22 5.38 -0.12 -0.85 -0.52 117.98 126.45 2nvl s PHE 40 Ca 0.09 -0.29 0.11 0.00 -0.05 0.00 0.00 56.93 56.78 2nvl s PHE 40 Cb -0.17 -1.46 -0.05 0.00 -0.63 0.00 0.00 43.02 40.72 2nvl s PHE 40 CO 0.11 0.21 -0.17 -1.54 -0.05 0.00 0.00 175.22 173.78 2nvl s SER 41 N -1.31 3.79 -0.01 1.98 1.04 -0.15 -1.16 113.70 117.87 2nvl s SER 41 Ca 0.14 -0.82 -0.00 0.00 0.48 0.00 0.00 55.95 55.75 2nvl s SER 41 Cb -0.10 -0.44 0.02 0.00 0.10 0.00 0.00 66.02 65.59 2nvl s SER 41 CO 0.04 0.08 0.02 -1.00 0.98 0.00 0.00 173.24 173.37 2nvl s HIS 42 N -1.97 0.01 0.20 5.02 3.76 0.14 -3.93 115.29 118.53 2nvl s HIS 42 Ca 0.25 0.10 -0.10 0.00 -0.15 0.00 0.00 55.06 55.16 2nvl s HIS 42 Cb -0.07 -0.13 0.25 0.00 1.11 0.00 0.00 32.58 33.73 2nvl s HIS 42 CO 0.14 -0.06 1.75 -1.35 -0.85 0.00 0.00 174.74 174.37 2nvl h PRO 43 N 6.81 0.41 -1.99 8.40 0.11 -1.83 -3.35 132.00 140.56 2nvl h PRO 43 Ca -0.37 -0.02 0.07 0.00 0.11 0.00 0.00 66.00 65.79 2nvl h PRO 43 Cb 1.16 -0.09 -0.19 0.00 0.11 0.00 0.00 31.00 31.99 2nvl h PRO 43 CO 0.49 0.27 0.46 0.00 -0.21 0.00 0.00 178.00 179.01 2nvl s ALA 44 N -6.10 -1.85 0.80 -0.75 0.00 -1.26 -4.08 121.76 108.52 2nvl s ALA 44 Ca -0.13 1.26 -0.10 0.00 0.00 0.00 0.00 51.96 52.98 2nvl s ALA 44 Cb 0.16 -0.06 0.08 0.00 0.00 0.00 0.00 23.12 23.30 2nvl s ALA 44 CO 0.74 -0.50 1.10 -0.51 0.00 0.00 0.00 175.76 176.60 2nvl s ASP 45 N -1.78 4.16 -1.44 0.00 1.11 -1.26 -3.83 116.67 113.63 2nvl s ASP 45 Ca -0.00 1.89 -0.05 0.00 0.18 0.00 0.00 52.55 54.57 2nvl s ASP 45 Cb -0.01 -2.52 0.01 0.00 1.07 0.00 0.00 42.92 41.47 2nvl s ASP 45 CO -0.02 -2.27 0.65 0.49 1.18 0.00 0.00 175.17 175.20 2nvl n PHE 46 N -3.68 -1.98 -4.77 4.23 3.01 -1.26 -5.00 117.46 108.02 2nvl n PHE 46 Ca 0.10 0.56 -0.32 0.00 1.01 0.00 0.00 57.45 58.80 2nvl n PHE 46 Cb 0.53 -4.38 -0.13 0.00 -0.01 0.00 0.00 39.48 35.50 2nvl n PHE 46 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 2nvl s THR 47 N -3.17 2.97 0.01 4.37 -4.23 -1.25 -5.08 115.64 109.26 2nvl s THR 47 Ca 0.32 -0.93 -0.25 0.00 -1.18 0.00 0.00 61.69 59.65 2nvl s THR 47 Cb -0.14 -2.21 -0.18 0.00 1.34 0.00 0.00 72.50 71.31 2nvl s THR 47 CO 0.40 0.47 1.34 1.55 -0.54 0.00 0.00 174.62 177.83 2nvl h PRO 48 N 4.93 -0.17 -0.30 3.99 0.13 -1.94 -0.70 132.00 137.94 2nvl h PRO 48 Ca -0.47 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2nvl h PRO 48 Cb 1.15 0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2nvl h PRO 48 CO 0.49 0.16 0.00 0.28 -0.23 0.00 0.00 178.00 178.70 2nvl n VAL 49 N -5.01 0.00 0.00 1.56 0.31 -1.26 -0.86 118.33 113.06 2nvl n VAL 49 Ca -0.09 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.24 2nvl n VAL 49 Cb 0.22 -0.07 0.00 0.00 -0.91 0.00 0.00 33.84 33.08 2nvl n VAL 49 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 2nvl n THR 51 N 0.53 0.00 -0.34 2.52 -1.04 -0.27 -1.28 114.28 114.40 2nvl n THR 51 Ca 0.00 0.00 0.05 0.00 -2.04 0.00 0.00 64.05 62.06 2nvl n THR 51 Cb 0.00 0.00 0.21 0.00 -1.82 0.00 0.00 70.33 68.72 2nvl n THR 51 CO 0.00 0.00 0.00 0.71 -0.64 0.00 0.00 175.07 175.14 2nvl h THR 52 N 0.00 0.94 -0.32 12.58 1.35 -1.27 -1.48 112.91 124.71 2nvl h THR 52 Ca 0.00 -0.33 -0.01 0.00 -0.55 0.00 0.00 66.41 65.52 2nvl h THR 52 Cb 0.00 -0.10 -0.01 0.00 -1.73 0.00 0.00 68.15 66.30 2nvl h THR 52 CO 0.00 0.17 0.15 -0.33 -0.25 0.00 0.00 175.52 175.26 2nvl h GLU 53 N 0.95 0.46 -0.13 4.72 5.08 -1.45 -1.61 114.58 122.61 2nvl h GLU 53 Ca 0.46 -0.07 0.02 0.00 -1.00 0.00 0.00 59.36 58.77 2nvl h GLU 53 Cb 0.41 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.56 2nvl h GLU 53 CO -0.25 0.44 -0.02 0.74 -1.00 0.00 0.00 179.01 178.92 2nvl h PHE 54 N 0.37 -0.04 -0.94 4.33 -1.00 -1.78 0.21 116.94 118.10 2nvl h PHE 54 Ca 0.11 0.01 0.09 0.00 2.81 0.00 0.00 57.97 60.99 2nvl h PHE 54 Cb 0.14 0.04 -0.07 0.00 3.61 0.00 0.00 35.95 39.66 2nvl h PHE 54 CO -0.01 -0.04 0.60 0.28 -1.61 0.00 0.00 178.31 177.53 2nvl h VAL 55 N 0.02 0.99 -0.42 -0.55 2.07 -1.19 -0.77 116.25 116.41 2nvl h VAL 55 Ca 0.06 -0.34 -0.14 0.00 0.82 0.00 0.00 66.70 67.10 2nvl h VAL 55 Cb 0.08 -0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 29.77 2nvl h VAL 55 CO -0.12 0.18 -0.31 -1.28 0.02 0.00 0.00 177.57 176.06 2nvl h SER 56 N 0.98 0.97 -0.31 0.57 0.87 -0.53 -1.59 113.55 114.52 2nvl h SER 56 Ca 0.43 -0.41 -0.08 0.00 -1.23 0.00 0.00 61.79 60.50 2nvl h SER 56 Cb 0.36 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 62.04 2nvl h SER 56 CO -0.19 1.19 -0.13 -0.26 -0.53 0.00 0.00 176.83 176.91 2nvl h PHE 57 N 0.78 0.72 -0.73 2.24 -1.00 -0.68 -2.84 116.94 115.43 2nvl h PHE 57 Ca 0.08 -0.17 0.05 0.00 2.81 0.00 0.00 57.97 60.74 2nvl h PHE 57 Cb 0.89 -0.17 -0.05 0.00 3.61 0.00 0.00 35.95 40.23 2nvl h PHE 57 CO 0.06 0.84 0.44 0.00 -1.61 0.00 0.00 178.31 178.04 2nvl h ALA 58 N 0.77 0.98 -0.06 2.45 0.00 -1.06 -1.11 119.26 121.22 2nvl h ALA 58 Ca 0.07 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 2nvl h ALA 58 Cb 0.64 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 2nvl h ALA 58 CO 0.04 0.18 0.00 0.00 0.00 0.00 0.00 179.25 179.47 2nvl h ARG 59 N 0.83 0.08 -0.65 0.00 -0.00 -1.18 -2.78 114.38 110.68 2nvl h ARG 59 Ca 0.31 -0.01 0.00 0.00 -0.50 0.00 0.00 59.98 59.78 2nvl h ARG 59 Cb 0.11 -0.02 0.00 0.00 0.00 0.00 0.00 29.97 30.07 2nvl h ARG 59 CO -0.15 0.09 0.00 0.54 0.00 0.00 0.00 179.97 180.45 2nvl n ARG 60 N -4.49 3.08 -0.26 0.04 1.74 -0.82 -4.70 116.66 111.25 2nvl n ARG 60 Ca -0.02 -2.67 -0.01 0.00 -0.77 0.00 0.00 57.85 54.38 2nvl n ARG 60 Cb 0.12 -1.64 0.11 0.00 -1.02 0.00 0.00 32.46 30.02 2nvl n ARG 60 CO 0.00 0.00 0.00 -0.92 -1.52 0.00 0.00 177.63 175.19 2nvl h TYR 61 N 3.89 0.79 -0.19 -1.55 3.20 -0.93 -0.54 116.97 121.64 2nvl h TYR 61 Ca 0.00 0.03 -0.15 0.00 3.14 0.00 0.00 58.73 61.75 2nvl h TYR 61 Cb 1.12 -0.25 -0.01 0.00 1.54 0.00 0.00 36.73 39.13 2nvl h TYR 61 CO 0.55 0.40 -0.50 1.49 -1.64 0.00 0.00 178.16 178.46 2nvl h GLU 62 N 0.80 0.51 -0.92 1.82 4.57 -1.84 -1.30 114.58 118.22 2nvl h GLU 62 Ca 0.32 -0.30 0.06 0.00 -1.18 0.00 0.00 59.36 58.26 2nvl h GLU 62 Cb 0.15 0.03 -0.06 0.00 -0.16 0.00 0.00 28.75 28.70 2nvl h GLU 62 CO -0.16 0.89 0.60 -0.44 -1.18 0.00 0.00 179.01 178.72 2nvl h ASP 63 N 0.40 0.93 -0.30 1.04 3.32 -1.79 0.30 116.42 120.33 2nvl h ASP 63 Ca 0.02 0.01 -0.08 0.00 0.02 0.00 0.00 57.03 56.99 2nvl h ASP 63 Cb 1.02 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 40.37 2nvl h ASP 63 CO 0.09 0.60 -0.14 -0.26 -1.72 0.00 0.00 179.24 177.81 2nvl h PHE 64 N 1.05 0.71 -0.66 4.55 -1.00 -0.71 -3.09 116.94 117.80 2nvl h PHE 64 Ca 0.39 -0.17 -0.04 0.00 2.81 0.00 0.00 57.97 60.96 2nvl h PHE 64 Cb 0.19 -0.16 -0.03 0.00 3.61 0.00 0.00 35.95 39.55 2nvl h PHE 64 CO -0.00 0.84 0.25 1.96 -1.61 0.00 0.00 178.31 179.75 2nvl h GLN 65 N 0.37 0.98 -0.79 1.51 1.08 -0.79 0.29 115.11 117.75 2nvl h GLN 65 Ca 0.07 -0.17 0.03 0.00 -1.45 0.00 0.00 58.65 57.13 2nvl h GLN 65 Cb 0.65 -0.16 -0.04 0.00 -0.05 0.00 0.00 27.48 27.88 2nvl h GLN 65 CO 0.04 0.81 0.52 0.00 -0.95 0.00 0.00 178.83 179.25 2nvl h ARG 66 N 0.96 0.96 -0.00 1.46 3.08 -0.41 -0.80 114.38 119.63 2nvl h ARG 66 Ca 0.22 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.21 2nvl h ARG 66 Cb 0.21 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 30.04 2nvl h ARG 66 CO -0.02 0.64 -0.01 1.28 -1.07 0.00 0.00 179.97 180.79 2nvl n LEU 67 N -4.45 0.05 -1.19 3.04 4.77 -0.89 -4.92 117.00 113.41 2nvl n LEU 67 Ca 0.10 0.20 -0.07 0.00 -0.03 0.00 0.00 56.01 56.21 2nvl n LEU 67 Cb 0.10 -0.22 0.01 0.00 -2.33 0.00 0.00 43.42 40.99 2nvl n LEU 67 CO 0.35 0.01 0.02 0.61 -1.33 0.00 0.00 177.39 177.04 2nvl n GLY 68 N 1.23 0.34 3.14 -0.72 0.00 -0.30 -4.94 105.19 103.94 2nvl n GLY 68 Ca 0.16 -0.48 -0.32 0.00 0.00 0.00 0.00 46.02 45.38 2nvl n GLY 68 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2nvl s VAL 69 N -2.80 2.02 0.19 1.61 1.01 0.92 -2.20 120.40 121.15 2nvl s VAL 69 Ca 0.11 -0.94 -0.04 0.00 0.00 0.00 0.00 61.98 61.11 2nvl s VAL 69 Cb -0.05 -1.80 -0.05 0.00 0.00 0.00 0.00 36.38 34.47 2nvl s VAL 69 CO 0.14 0.54 0.43 -1.81 0.00 0.00 0.00 175.10 174.40 2nvl s ASP 70 N 1.02 6.48 -0.02 3.32 1.01 0.04 -3.72 116.67 124.80 2nvl s ASP 70 Ca -0.02 0.61 0.01 0.00 0.71 0.00 0.00 52.55 53.86 2nvl s ASP 70 Cb -0.14 -2.10 -0.04 0.00 1.01 0.00 0.00 42.92 41.65 2nvl s ASP 70 CO -0.06 -0.03 0.01 -0.76 0.21 0.00 0.00 175.17 174.54 2nvl s LEU 71 N -2.98 3.56 -0.16 1.23 1.43 -1.26 -1.02 118.68 119.47 2nvl s LEU 71 Ca 0.42 0.03 -0.07 0.00 -1.03 0.00 0.00 54.13 53.48 2nvl s LEU 71 Cb -0.11 -2.00 0.06 0.00 0.03 0.00 0.00 46.19 44.16 2nvl s LEU 71 CO 0.26 0.30 0.36 -0.51 0.23 0.00 0.00 176.35 176.99 2nvl s ILE 72 N -1.06 -0.21 0.68 -0.59 2.07 -0.43 -4.24 121.20 117.41 2nvl s ILE 72 Ca 0.19 0.14 -0.02 0.00 -1.41 0.00 0.00 60.65 59.55 2nvl s ILE 72 Cb -0.12 -0.56 0.08 0.00 0.13 0.00 0.00 42.46 42.00 2nvl s ILE 72 CO 0.09 0.06 0.95 -0.83 -1.91 0.00 0.00 174.94 173.30 2nvl s GLY 73 N 1.76 1.77 -0.20 1.50 0.00 0.04 -2.00 107.32 110.20 2nvl s GLY 73 Ca -0.06 -1.37 -0.09 0.00 0.00 0.00 0.00 44.72 43.19 2nvl s GLY 73 CO -0.11 -0.92 0.45 -2.27 0.00 0.00 0.00 173.10 170.24 2nvl s LEU 74 N -5.09 -0.44 -0.01 0.66 1.98 -0.31 -0.88 118.68 114.60 2nvl s LEU 74 Ca 0.62 1.02 -0.08 0.00 -2.89 0.00 0.00 54.13 52.80 2nvl s LEU 74 Cb -0.08 1.49 0.01 0.00 0.66 0.00 0.00 46.19 48.26 2nvl s LEU 74 CO 0.43 -0.21 0.17 -0.55 -1.89 0.00 0.00 176.35 174.30 2nvl s SER 75 N 1.97 -0.04 -1.00 3.68 0.15 -0.86 0.28 113.70 117.88 2nvl s SER 75 Ca -0.06 -0.07 -0.18 0.00 0.70 0.00 0.00 55.95 56.34 2nvl s SER 75 Cb -0.10 0.25 0.14 0.00 -1.71 0.00 0.00 66.02 64.60 2nvl s SER 75 CO -0.14 -0.33 1.20 -0.69 1.20 0.00 0.00 173.24 174.49 2nvl s VAL 76 N -1.13 4.79 -0.22 4.45 1.01 -1.26 -1.91 120.40 126.14 2nvl s VAL 76 Ca -0.12 -1.82 -0.32 0.00 0.00 0.00 0.00 61.98 59.72 2nvl s VAL 76 Cb -0.06 -4.82 0.15 0.00 0.00 0.00 0.00 36.38 31.66 2nvl s VAL 76 CO 0.02 -1.54 1.22 -1.81 0.00 0.00 0.00 175.10 172.98 2nvl s ASP 77 N 3.47 -0.15 0.98 3.32 -0.00 -1.26 -4.76 116.67 118.26 2nvl s ASP 77 Ca 0.35 0.10 -0.12 0.00 -0.00 0.00 0.00 52.55 52.87 2nvl s ASP 77 Cb -0.04 0.14 0.18 0.00 -0.00 0.00 0.00 42.92 43.19 2nvl s ASP 77 CO -0.07 -0.19 1.11 -0.94 -0.00 0.00 0.00 175.17 175.08 2nvl s SER 78 N -1.57 2.82 0.28 0.27 1.04 -1.26 -3.12 113.70 112.15 2nvl s SER 78 Ca 0.07 1.10 0.00 0.00 0.48 0.00 0.00 55.95 57.60 2nvl s SER 78 Cb -0.01 -1.73 0.40 0.00 0.10 0.00 0.00 66.02 64.78 2nvl s SER 78 CO -0.05 -3.00 1.77 1.62 0.98 0.00 0.00 173.24 174.56 2nvl h VAL 79 N -1.80 1.24 -0.52 5.02 3.04 -1.95 -2.41 116.25 118.86 2nvl h VAL 79 Ca -0.54 -1.03 -0.08 0.00 -1.01 0.00 0.00 66.70 64.05 2nvl h VAL 79 Cb 1.33 1.01 -0.02 0.00 -2.01 0.00 0.00 31.29 31.60 2nvl h VAL 79 CO 0.59 0.35 0.02 -0.26 -1.01 0.00 0.00 177.57 177.26 2nvl h PHE 80 N 0.62 0.99 -0.66 3.17 -1.00 -1.99 -1.47 116.94 116.60 2nvl h PHE 80 Ca 0.12 -0.17 -0.07 0.00 2.81 0.00 0.00 57.97 60.66 2nvl h PHE 80 Cb 0.48 -0.26 -0.03 0.00 3.61 0.00 0.00 35.95 39.76 2nvl h PHE 80 CO 0.02 0.91 0.12 0.77 -1.61 0.00 0.00 178.31 178.52 2nvl h SER 81 N 0.79 1.03 -0.05 2.17 0.02 -1.90 -2.12 113.55 113.48 2nvl h SER 81 Ca 0.15 -0.24 -0.00 0.00 -0.84 0.00 0.00 61.79 60.86 2nvl h SER 81 Cb 0.51 -0.27 -0.00 0.00 0.14 0.00 0.00 62.40 62.77 2nvl h SER 81 CO 0.02 1.01 0.03 0.45 -1.14 0.00 0.00 176.83 177.21 2nvl h HIS 82 N 1.02 0.07 -0.67 3.45 3.86 -1.08 0.27 115.15 122.07 2nvl h HIS 82 Ca 0.20 -0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.39 2nvl h HIS 82 Cb 0.42 -0.02 -0.03 0.00 1.06 0.00 0.00 27.41 28.83 2nvl h HIS 82 CO 0.03 0.09 0.34 0.82 0.86 0.00 0.00 177.93 180.07 2nvl h ILE 83 N 0.03 1.22 -0.25 2.45 2.04 -1.22 0.26 117.51 122.04 2nvl h ILE 83 Ca 0.02 -0.60 -0.07 0.00 1.00 0.00 0.00 64.86 65.22 2nvl h ILE 83 Cb 0.04 0.38 -0.01 0.00 -0.74 0.00 0.00 36.82 36.49 2nvl h ILE 83 CO -0.00 0.25 -0.14 0.11 0.00 0.00 0.00 178.15 178.37 2nvl h LYS 84 N 0.92 0.43 -0.03 2.37 1.79 -1.11 -0.90 116.57 120.05 2nvl h LYS 84 Ca 0.23 -0.12 -0.01 0.00 -2.18 0.00 0.00 60.65 58.57 2nvl h LYS 84 Cb 0.09 -0.05 -0.00 0.00 -1.58 0.00 0.00 32.23 30.69 2nvl h LYS 84 CO -0.03 0.57 -0.03 2.35 -1.08 0.00 0.00 179.45 181.23 2nvl h TRP 85 N 0.40 0.08 -0.72 -1.35 7.01 0.17 -0.89 115.95 120.65 2nvl h TRP 85 Ca 0.07 -0.02 0.09 0.00 2.11 0.00 0.00 58.89 61.14 2nvl h TRP 85 Cb 0.49 -0.02 -0.07 0.00 -2.10 0.00 0.00 29.16 27.46 2nvl h TRP 85 CO 0.01 0.54 0.37 0.87 -2.79 0.00 0.00 178.44 177.44 2nvl h LYS 86 N -0.41 0.61 -0.71 2.65 1.57 -0.33 -1.55 116.57 118.40 2nvl h LYS 86 Ca 0.00 -0.04 0.02 0.00 -1.87 0.00 0.00 60.65 58.77 2nvl h LYS 86 Cb 0.52 -0.14 -0.04 0.00 0.08 0.00 0.00 32.23 32.66 2nvl h LYS 86 CO 0.01 0.40 0.46 1.49 -0.57 0.00 0.00 179.45 181.24 2nvl h GLU 87 N 0.63 0.90 -0.64 3.15 4.81 -1.09 -0.31 114.58 122.03 2nvl h GLU 87 Ca 0.35 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.49 2nvl h GLU 87 Cb 0.35 -0.20 -0.03 0.00 0.63 0.00 0.00 28.75 29.50 2nvl h GLU 87 CO -0.26 0.59 0.28 2.35 -0.73 0.00 0.00 179.01 181.24 2nvl h TRP 88 N 0.92 0.96 -0.23 0.92 7.01 -0.59 -1.41 115.95 123.53 2nvl h TRP 88 Ca 0.27 -0.06 -0.01 0.00 2.11 0.00 0.00 58.89 61.20 2nvl h TRP 88 Cb -0.05 -0.29 -0.01 0.00 -2.10 0.00 0.00 29.16 26.71 2nvl h TRP 88 CO -0.03 0.74 0.11 0.82 -2.79 0.00 0.00 178.44 177.29 2nvl h ILE 89 N 0.89 1.15 -0.70 2.65 2.04 -0.22 0.29 117.51 123.61 2nvl h ILE 89 Ca 0.22 -0.42 -0.01 0.00 1.00 0.00 0.00 64.86 65.64 2nvl h ILE 89 Cb 0.17 1.00 -0.03 0.00 -0.74 0.00 0.00 36.82 37.22 2nvl h ILE 89 CO -0.02 0.14 0.39 -0.08 0.00 0.00 0.00 178.15 178.58 2nvl h GLU 90 N 0.24 0.98 -0.03 2.37 4.81 -0.96 0.23 114.58 122.21 2nvl h GLU 90 Ca 0.08 -0.11 -0.00 0.00 -0.13 0.00 0.00 59.36 59.19 2nvl h GLU 90 Cb 0.13 -0.19 -0.00 0.00 0.63 0.00 0.00 28.75 29.32 2nvl h GLU 90 CO -0.01 0.73 -0.00 -0.09 -0.73 0.00 0.00 179.01 178.91 2nvl h ARG 91 N 0.96 0.05 0.00 1.92 2.43 -1.05 -1.70 114.38 116.98 2nvl h ARG 91 Ca 0.25 -0.02 -0.22 0.00 -0.81 0.00 0.00 59.98 59.19 2nvl h ARG 91 Cb 0.03 -0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.54 2nvl h ARG 91 CO -0.04 0.36 -1.52 0.72 -1.51 0.00 0.00 179.97 177.98 2nvl n HIS 92 N -4.90 1.00 0.04 2.20 8.25 0.10 -4.43 115.22 117.48 2nvl n HIS 92 Ca -0.08 0.34 0.07 0.00 -0.26 0.00 0.00 57.72 57.80 2nvl n HIS 92 Cb 0.19 -1.13 -0.10 0.00 1.12 0.00 0.00 29.99 30.07 2nvl n HIS 92 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 2nvl n ILE 93 N -2.95 0.00 -0.60 1.59 5.41 0.79 -4.77 119.36 118.83 2nvl n ILE 93 Ca -0.12 -0.30 0.00 0.00 1.00 0.00 0.00 62.75 63.32 2nvl n ILE 93 Cb 0.92 0.25 0.00 0.00 -0.71 0.00 0.00 39.64 40.10 2nvl n ILE 93 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2nvl n GLY 94 N 1.70 0.75 3.34 7.39 0.00 -0.64 -4.92 105.19 112.81 2nvl n GLY 94 Ca -0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.66 2nvl n GLY 94 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2nvl s VAL 95 N -2.64 3.16 0.06 1.61 1.01 -1.25 -4.95 120.40 117.39 2nvl s VAL 95 Ca 0.00 -0.60 -0.29 0.00 0.00 0.00 0.00 61.98 61.09 2nvl s VAL 95 Cb 0.00 -2.37 -0.05 0.00 0.00 0.00 0.00 36.38 33.96 2nvl s VAL 95 CO 0.00 0.49 0.93 -0.60 0.00 0.00 0.00 175.10 175.92 2nvl s ARG 96 N 0.81 4.62 -0.40 2.72 3.52 -1.26 -2.86 118.95 126.10 2nvl s ARG 96 Ca -0.03 1.36 -0.16 0.00 -0.13 0.00 0.00 55.73 56.77 2nvl s ARG 96 Cb -0.15 -3.40 0.01 0.00 -1.56 0.00 0.00 34.95 29.85 2nvl s ARG 96 CO 0.01 0.14 0.36 0.42 -0.81 0.00 0.00 175.30 175.42 2nvl s ILE 97 N 0.31 5.18 -0.99 4.11 -1.09 -1.26 -4.91 121.20 122.56 2nvl s ILE 97 Ca 0.47 -0.40 0.26 0.00 -2.23 0.00 0.00 60.65 58.74 2nvl s ILE 97 Cb -0.22 -3.94 0.04 0.00 -1.58 0.00 0.00 42.46 36.76 2nvl s ILE 97 CO 0.28 -0.29 1.49 -0.81 -1.23 0.00 0.00 174.94 174.37 2nvl n PRO 98 N 5.35 0.01 -3.70 2.79 -0.04 -1.26 -4.96 135.00 133.20 2nvl n PRO 98 Ca -0.09 0.00 -0.26 0.00 -0.04 0.00 0.00 63.50 63.11 2nvl n PRO 98 Cb 0.48 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.41 2nvl n PRO 98 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 2nvl s PHE 99 N -3.00 3.48 0.80 0.54 -0.12 -1.26 -5.08 117.98 113.34 2nvl s PHE 99 Ca 0.11 0.27 -0.11 0.00 -0.05 0.00 0.00 56.93 57.15 2nvl s PHE 99 Cb 0.18 -1.80 0.07 0.00 -0.63 0.00 0.00 43.02 40.84 2nvl s PHE 99 CO 0.68 0.35 1.09 -1.25 -0.05 0.00 0.00 175.22 176.04 2nvl s PRO 100 N -3.60 2.01 -0.07 1.99 0.04 -1.26 -4.85 135.00 129.25 2nvl s PRO 100 Ca 0.38 1.13 0.01 0.00 0.04 0.00 0.00 61.00 62.55 2nvl s PRO 100 Cb -0.10 -1.87 0.02 0.00 0.04 0.00 0.00 34.50 32.59 2nvl s PRO 100 CO 0.30 -1.81 -0.07 0.42 0.04 0.00 0.00 177.00 175.89 2nvl s ILE 101 N -2.89 0.79 0.13 0.56 1.01 -1.26 -0.78 121.20 118.76 2nvl s ILE 101 Ca 0.62 -0.22 -0.31 0.00 0.00 0.00 0.00 60.65 60.74 2nvl s ILE 101 Cb -0.18 -0.80 -0.09 0.00 0.01 0.00 0.00 42.46 41.40 2nvl s ILE 101 CO 0.56 0.30 1.46 -0.63 0.00 0.00 0.00 174.94 176.64 2nvl s ILE 102 N 1.22 3.05 -0.29 2.92 1.01 -0.05 -1.46 121.20 127.60 2nvl s ILE 102 Ca -0.05 0.75 -0.16 0.00 0.00 0.00 0.00 60.65 61.19 2nvl s ILE 102 Cb -0.14 -3.48 -0.03 0.00 0.01 0.00 0.00 42.46 38.82 2nvl s ILE 102 CO -0.02 0.06 0.40 0.00 0.00 0.00 0.00 174.94 175.37 2nvl s ALA 103 N 1.18 3.55 -0.42 9.38 0.00 0.43 -2.03 121.76 133.85 2nvl s ALA 103 Ca 0.67 -0.88 0.09 0.00 0.00 0.00 0.00 51.96 51.84 2nvl s ALA 103 Cb -0.39 -2.77 0.42 0.00 0.00 0.00 0.00 23.12 20.37 2nvl s ALA 103 CO 0.31 -0.78 1.03 -3.47 0.00 0.00 0.00 175.76 172.84 2nvl n ASP 104 N 5.40 3.60 -4.77 0.00 2.03 -0.80 -4.56 116.55 117.46 2nvl n ASP 104 Ca -0.08 -3.41 -0.41 0.00 0.52 0.00 0.00 54.79 51.41 2nvl n ASP 104 Cb 0.50 -0.50 -0.01 0.00 -0.72 0.00 0.00 41.12 40.39 2nvl n ASP 104 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 2nvl s PRO 105 N -3.36 4.21 0.00 -0.67 0.04 -1.26 0.47 135.00 134.43 2nvl s PRO 105 Ca 0.42 2.43 0.00 0.00 0.04 0.00 0.00 61.00 63.89 2nvl s PRO 105 Cb 0.40 -3.02 0.00 0.00 0.04 0.00 0.00 34.50 31.92 2nvl s PRO 105 CO -0.12 -0.42 0.00 1.04 0.04 0.00 0.00 177.00 177.55 2nvl n GLN 106 N 0.95 0.00 -2.72 4.56 6.02 -1.26 -4.47 117.38 120.46 2nvl n GLN 106 Ca 0.02 0.00 -0.18 0.00 -0.01 0.00 0.00 57.00 56.83 2nvl n GLN 106 Cb 0.40 -0.16 0.02 0.00 1.02 0.00 0.00 30.24 31.52 2nvl n GLN 106 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2nvl n GLY 107 N -0.63 -0.32 0.11 1.08 0.00 0.18 -4.94 105.19 100.66 2nvl n GLY 107 Ca 0.00 -0.07 -0.09 0.00 0.00 0.00 0.00 46.02 45.85 2nvl n GLY 107 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2nvl h THR 108 N -0.81 0.98 -0.10 2.61 2.02 -1.78 -1.76 112.91 114.06 2nvl h THR 108 Ca -0.43 -0.07 -0.01 0.00 0.77 0.00 0.00 66.41 66.68 2nvl h THR 108 Cb 1.30 0.77 -0.00 0.00 -1.74 0.00 0.00 68.15 68.48 2nvl h THR 108 CO 0.47 0.03 0.02 0.58 0.37 0.00 0.00 175.52 177.00 2nvl h VAL 109 N 0.19 1.20 -0.86 3.16 2.07 -1.92 -2.19 116.25 117.91 2nvl h VAL 109 Ca 0.08 -0.63 0.20 0.00 0.82 0.00 0.00 66.70 67.17 2nvl h VAL 109 Cb 0.03 1.43 -0.12 0.00 -1.52 0.00 0.00 31.29 31.11 2nvl h VAL 109 CO -0.07 0.18 0.35 0.00 0.02 0.00 0.00 177.57 178.05 2nvl h ALA 110 N 0.81 1.31 -0.10 1.67 0.00 -1.90 -1.97 119.26 119.07 2nvl h ALA 110 Ca 0.03 0.15 -0.15 0.00 0.00 0.00 0.00 54.91 54.95 2nvl h ALA 110 Cb 0.26 0.14 0.01 0.00 0.00 0.00 0.00 17.79 18.20 2nvl h ALA 110 CO 0.00 -0.30 -0.51 0.00 0.00 0.00 0.00 179.25 178.44 2nvl h ARG 111 N 0.40 0.53 -0.87 0.00 3.08 -1.18 0.56 114.38 116.90 2nvl h ARG 111 Ca 0.51 -0.43 0.23 0.00 0.07 0.00 0.00 59.98 60.37 2nvl h ARG 111 Cb 0.92 0.09 -0.05 0.00 0.08 0.00 0.00 29.97 31.02 2nvl h ARG 111 CO -0.50 1.06 0.61 -0.09 -1.07 0.00 0.00 179.97 179.98 2nvl h ARG 112 N 0.13 0.13 -0.19 0.04 9.65 -0.94 -0.73 114.38 122.48 2nvl h ARG 112 Ca -0.03 -0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.84 2nvl h ARG 112 Cb 1.16 -0.03 0.00 0.00 -1.39 0.00 0.00 29.97 29.71 2nvl h ARG 112 CO 0.11 0.09 0.00 1.28 2.80 0.00 0.00 179.97 184.24 2nvl n LEU 113 N -4.36 3.07 -0.28 3.80 4.77 -0.78 -4.62 117.00 118.59 2nvl n LEU 113 Ca 0.18 -1.25 -0.04 0.00 -0.03 0.00 0.00 56.01 54.87 2nvl n LEU 113 Cb 0.85 -0.11 -0.02 0.00 -2.33 0.00 0.00 43.42 41.81 2nvl n LEU 113 CO 0.36 0.60 -0.04 0.61 -1.33 0.00 0.00 177.39 177.59 2nvl n GLY 114 N 1.29 0.66 0.24 -0.72 0.00 -0.28 -4.36 105.19 102.03 2nvl n GLY 114 Ca 0.15 -0.60 0.12 0.00 0.00 0.00 0.00 46.02 45.69 2nvl n GLY 114 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2nvl n LEU 115 N -0.42 0.74 -4.44 0.99 4.77 0.19 -4.19 117.00 114.64 2nvl n LEU 115 Ca -0.04 -0.29 -0.44 0.00 -0.03 0.00 0.00 56.01 55.21 2nvl n LEU 115 Cb 0.16 -0.03 -0.01 0.00 -2.33 0.00 0.00 43.42 41.21 2nvl n LEU 115 CO 0.06 0.14 1.21 -0.76 -1.33 0.00 0.00 177.39 176.71 2nvl s LEU 116 N -1.75 5.28 0.00 2.23 1.43 -1.25 -1.64 118.68 122.99 2nvl s LEU 116 Ca 0.35 -2.89 0.00 0.00 -1.03 0.00 0.00 54.13 50.57 2nvl s LEU 116 Cb 0.18 -2.37 0.00 0.00 0.03 0.00 0.00 46.19 44.03 2nvl s LEU 116 CO 0.28 -0.74 0.00 1.41 0.23 0.00 0.00 176.35 177.53 2nvl n HIS 117 N 5.38 -1.99 -0.02 0.29 8.25 -1.26 -4.98 115.22 120.89 2nvl n HIS 117 Ca 0.32 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.66 2nvl n HIS 117 Cb 0.44 0.00 -0.14 0.00 1.12 0.00 0.00 29.99 31.41 2nvl n HIS 117 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2nvl n ALA 118 N -3.00 1.36 0.29 -1.41 0.00 -1.26 -4.03 120.51 112.46 2nvl n ALA 118 Ca 0.00 -0.77 0.18 0.00 0.00 0.00 0.00 53.44 52.85 2nvl n ALA 118 Cb 0.00 -0.76 0.94 0.00 0.00 0.00 0.00 19.45 19.63 2nvl n ALA 118 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2nvl h GLU 119 N 0.02 0.00 -1.99 0.00 5.08 -1.97 -3.39 114.58 112.32 2nvl h GLU 119 Ca -0.34 0.00 0.07 0.00 -1.00 0.00 0.00 59.36 58.10 2nvl h GLU 119 Cb 2.03 0.00 -0.20 0.00 0.50 0.00 0.00 28.75 31.08 2nvl h GLU 119 CO 0.07 0.00 -0.11 0.45 -1.00 0.00 0.00 179.01 178.42 2nvl s SER 120 N -5.06 -1.12 0.00 1.42 0.15 -1.26 -4.98 113.70 102.85 2nvl s SER 120 Ca -0.04 1.57 0.18 0.00 0.70 0.00 0.00 55.95 58.36 2nvl s SER 120 Cb 0.12 2.21 0.75 0.00 -1.71 0.00 0.00 66.02 67.39 2nvl s SER 120 CO 0.40 -0.22 1.53 0.00 1.20 0.00 0.00 173.24 176.15 2nvl n ALA 121 N 5.33 2.53 -0.01 5.45 0.00 -1.26 -4.10 120.51 128.44 2nvl n ALA 121 Ca -0.13 -0.43 -0.02 0.00 0.00 0.00 0.00 53.44 52.86 2nvl n ALA 121 Cb 0.50 -1.12 -0.01 0.00 0.00 0.00 0.00 19.45 18.82 2nvl n ALA 121 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2nvl n THR 122 N 0.08 0.17 -4.88 0.00 -1.04 -1.26 -4.98 114.28 102.37 2nvl n THR 122 Ca 0.15 -0.07 -0.33 0.00 -2.04 0.00 0.00 64.05 61.76 2nvl n THR 122 Cb 0.26 -0.63 -0.16 0.00 -1.82 0.00 0.00 70.33 67.98 2nvl n THR 122 CO 0.00 0.00 0.00 -1.00 -0.64 0.00 0.00 175.07 173.43 2nvl s HIS 123 N -2.06 2.68 0.22 -1.42 4.02 -1.26 -4.96 115.29 112.52 2nvl s HIS 123 Ca -0.04 -1.01 -0.29 0.00 1.02 0.00 0.00 55.06 54.74 2nvl s HIS 123 Cb 0.01 -1.80 -0.16 0.00 -1.02 0.00 0.00 32.58 29.62 2nvl s HIS 123 CO 0.07 -0.42 0.85 0.25 1.02 0.00 0.00 174.74 176.51 2nvl n THR 124 N 3.74 1.74 -0.71 1.30 -2.24 -1.26 -4.57 114.28 112.27 2nvl n THR 124 Ca -0.19 -0.43 -0.32 0.00 -2.27 0.00 0.00 64.05 60.83 2nvl n THR 124 Cb 0.52 -0.55 0.16 0.00 -2.10 0.00 0.00 70.33 68.36 2nvl n THR 124 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 2nvl n VAL 125 N 0.39 0.00 -2.79 2.28 0.24 -0.65 -3.61 118.33 114.19 2nvl n VAL 125 Ca 0.14 -0.25 -0.43 0.00 -2.04 0.00 0.00 64.34 61.76 2nvl n VAL 125 Cb 0.27 -0.67 -0.02 0.00 -1.47 0.00 0.00 33.84 31.95 2nvl n VAL 125 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2nvl s ARG 126 N -3.69 3.76 0.07 7.34 1.70 -1.24 -4.45 118.95 122.44 2nvl s ARG 126 Ca 0.58 -1.81 0.02 0.00 -0.47 0.00 0.00 55.73 54.05 2nvl s ARG 126 Cb -0.18 -5.14 -0.04 0.00 -0.57 0.00 0.00 34.95 29.02 2nvl s ARG 126 CO 0.66 -1.95 0.10 0.20 -1.08 0.00 0.00 175.30 173.23 2nvl s GLY 127 N 3.87 2.04 -0.08 3.88 0.00 -1.25 -1.96 107.32 113.82 2nvl s GLY 127 Ca 0.41 -0.98 0.03 0.00 0.00 0.00 0.00 44.72 44.18 2nvl s GLY 127 CO -0.05 -0.95 -0.16 0.14 0.00 0.00 0.00 173.10 172.07 2nvl s VAL 128 N -1.39 1.44 -0.19 1.40 1.01 0.85 -0.98 120.40 122.54 2nvl s VAL 128 Ca 0.30 -0.65 -0.01 0.00 0.00 0.00 0.00 61.98 61.61 2nvl s VAL 128 Cb -0.12 -1.29 0.00 0.00 0.00 0.00 0.00 36.38 34.97 2nvl s VAL 128 CO 0.22 0.42 -0.13 -0.36 0.00 0.00 0.00 175.10 175.25 2nvl s PHE 129 N 0.60 2.84 -0.23 5.22 0.40 0.32 -1.28 117.98 125.85 2nvl s PHE 129 Ca -0.15 -1.25 -0.11 0.00 -0.60 0.00 0.00 56.93 54.82 2nvl s PHE 129 Cb -0.16 -1.97 -0.05 0.00 0.51 0.00 0.00 43.02 41.34 2nvl s PHE 129 CO 0.05 -0.63 0.18 0.42 0.70 0.00 0.00 175.22 175.94 2nvl s ILE 130 N 1.22 5.35 -0.09 0.64 1.01 0.65 -1.77 121.20 128.22 2nvl s ILE 130 Ca 0.02 0.24 0.00 0.00 0.00 0.00 0.00 60.65 60.92 2nvl s ILE 130 Cb -0.14 -3.52 0.02 0.00 0.01 0.00 0.00 42.46 38.83 2nvl s ILE 130 CO -0.06 0.36 -0.07 -0.69 0.00 0.00 0.00 174.94 174.47 2nvl s VAL 131 N 0.91 0.91 0.81 2.92 1.01 -0.15 -0.77 120.40 126.04 2nvl s VAL 131 Ca 0.09 -0.26 -0.13 0.00 0.00 0.00 0.00 61.98 61.68 2nvl s VAL 131 Cb -0.13 -0.91 0.18 0.00 0.00 0.00 0.00 36.38 35.52 2nvl s VAL 131 CO 0.03 0.33 1.10 -0.90 0.00 0.00 0.00 175.10 175.67 2nvl n ASP 132 N 4.55 0.20 0.00 3.32 5.68 -0.12 -1.28 116.55 128.90 2nvl n ASP 132 Ca -0.16 -1.47 0.08 0.00 -0.50 0.00 0.00 54.79 52.74 2nvl n ASP 132 Cb 0.51 -0.83 0.47 0.00 -1.14 0.00 0.00 41.12 40.13 2nvl n ASP 132 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2nvl n ALA 133 N -3.64 2.31 0.18 2.12 0.00 -1.26 -0.87 120.51 119.36 2nvl n ALA 133 Ca -0.18 -0.10 0.07 0.00 0.00 0.00 0.00 53.44 53.23 2nvl n ALA 133 Cb 0.49 -1.26 0.13 0.00 0.00 0.00 0.00 19.45 18.81 2nvl n ALA 133 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2nvl n ARG 134 N -0.85 1.90 -0.94 0.00 1.74 -1.26 -4.59 116.66 112.66 2nvl n ARG 134 Ca 0.12 -1.77 0.00 0.00 -0.77 0.00 0.00 57.85 55.43 2nvl n ARG 134 Cb 0.05 -1.31 0.00 0.00 -1.02 0.00 0.00 32.46 30.19 2nvl n ARG 134 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2nvl n GLY 135 N 0.79 0.45 3.82 -0.13 0.00 -0.05 -4.96 105.19 105.11 2nvl n GLY 135 Ca 0.11 -0.79 -0.37 0.00 0.00 0.00 0.00 46.02 44.97 2nvl n GLY 135 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2nvl s VAL 136 N -2.00 5.25 -0.19 1.61 1.01 -1.25 0.18 120.40 125.01 2nvl s VAL 136 Ca 0.00 0.57 -0.29 0.00 0.00 0.00 0.00 61.98 62.25 2nvl s VAL 136 Cb 0.00 -3.60 -0.01 0.00 0.00 0.00 0.00 36.38 32.77 2nvl s VAL 136 CO 0.00 0.54 1.32 -0.63 0.00 0.00 0.00 175.10 176.33 2nvl s ILE 137 N -0.61 4.17 -0.15 2.22 1.01 -0.11 -0.95 121.20 126.78 2nvl s ILE 137 Ca 0.19 1.38 0.17 0.00 0.00 0.00 0.00 60.65 62.40 2nvl s ILE 137 Cb -0.14 -3.98 -0.25 0.00 0.01 0.00 0.00 42.46 38.10 2nvl s ILE 137 CO 0.08 -0.22 0.15 0.54 0.00 0.00 0.00 174.94 175.49 2nvl n ARG 138 N 6.87 0.88 -3.54 2.79 5.12 0.06 -0.63 116.66 128.21 2nvl n ARG 138 Ca 0.15 -0.05 -0.16 0.00 -1.93 0.00 0.00 57.85 55.85 2nvl n ARG 138 Cb 0.45 -1.48 -0.06 0.00 -1.16 0.00 0.00 32.46 30.22 2nvl n ARG 138 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 2nvl s THR 139 N -2.68 0.00 -0.01 0.55 2.01 -1.15 -4.91 115.64 109.45 2nvl s THR 139 Ca -0.09 0.00 -0.00 0.00 0.31 0.00 0.00 61.69 61.91 2nvl s THR 139 Cb 0.07 -1.00 0.02 0.00 0.01 0.00 0.00 72.50 71.60 2nvl s THR 139 CO 0.78 0.00 0.02 -0.04 -0.69 0.00 0.00 174.62 174.69 2nvl s MET 140 N -1.11 -0.02 -0.04 4.92 -1.94 -1.26 -0.26 119.30 119.59 2nvl s MET 140 Ca -0.08 0.12 0.04 0.00 -1.71 0.00 0.00 55.69 54.05 2nvl s MET 140 Cb -0.00 -0.15 0.00 0.00 2.01 0.00 0.00 34.83 36.69 2nvl s MET 140 CO 0.08 -0.10 -0.15 -0.51 -0.01 0.00 0.00 175.02 174.33 2nvl s LEU 141 N 0.66 1.84 -0.34 -0.03 1.43 -0.41 -4.95 118.68 116.90 2nvl s LEU 141 Ca -0.06 -0.31 0.03 0.00 -1.03 0.00 0.00 54.13 52.77 2nvl s LEU 141 Cb -0.08 -0.86 0.10 0.00 0.03 0.00 0.00 46.19 45.38 2nvl s LEU 141 CO -0.02 0.11 0.06 -0.31 0.23 0.00 0.00 176.35 176.43 2nvl s TYR 142 N 0.19 3.37 0.39 0.29 1.51 -1.26 -0.11 117.35 121.73 2nvl s TYR 142 Ca -0.06 -2.77 -0.02 0.00 -1.01 0.00 0.00 57.07 53.21 2nvl s TYR 142 Cb -0.12 -2.70 -0.04 0.00 -0.11 0.00 0.00 41.96 39.00 2nvl s TYR 142 CO 0.02 -0.93 0.64 0.71 -1.11 0.00 0.00 175.55 174.88 2nvl s TYR 143 N 1.02 3.52 0.79 2.71 1.51 -0.83 -5.01 117.35 121.06 2nvl s TYR 143 Ca 0.11 0.56 -0.11 0.00 -1.01 0.00 0.00 57.07 56.61 2nvl s TYR 143 Cb -0.19 -2.07 0.06 0.00 -0.11 0.00 0.00 41.96 39.65 2nvl s TYR 143 CO -0.11 -0.03 1.10 -1.25 -1.11 0.00 0.00 175.55 174.15 2nvl s PRO 144 N -4.41 2.18 0.27 -1.71 0.04 -1.26 -3.70 135.00 126.40 2nvl s PRO 144 Ca 0.43 0.61 0.24 0.00 0.04 0.00 0.00 61.00 62.32 2nvl s PRO 144 Cb -0.10 -1.93 0.98 0.00 0.04 0.00 0.00 34.50 33.49 2nvl s PRO 144 CO 0.39 -1.55 1.73 0.00 0.04 0.00 0.00 177.00 177.62 2nvl n MET 145 N -3.38 0.22 0.00 4.56 0.00 -1.26 -2.24 117.12 115.02 2nvl n MET 145 Ca 0.07 0.41 0.13 0.00 0.00 0.00 0.00 57.70 58.31 2nvl n MET 145 Cb 0.56 -1.89 0.41 0.00 0.00 0.00 0.00 33.22 32.30 2nvl n MET 145 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 175.97 175.12 2nvl n GLU 146 N -2.29 0.37 -4.09 3.17 0.00 -1.26 -4.84 120.64 111.70 2nvl n GLU 146 Ca 0.02 -0.18 -0.32 0.00 0.00 0.00 0.00 57.16 56.68 2nvl n GLU 146 Cb 0.26 -1.50 -0.15 0.00 0.00 0.00 0.00 31.44 30.05 2nvl n GLU 146 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.13 175.96 2nvl s LEU 147 N -2.76 2.84 0.43 -1.84 0.20 -0.95 -5.07 118.68 111.53 2nvl s LEU 147 Ca 0.19 -1.06 -0.26 0.00 0.69 0.00 0.00 54.13 53.69 2nvl s LEU 147 Cb 0.19 -1.51 -0.09 0.00 -0.43 0.00 0.00 46.19 44.34 2nvl s LEU 147 CO 0.58 -0.11 1.39 0.61 -0.29 0.00 0.00 176.35 178.54 2nvl n GLY 148 N 4.52 0.88 3.65 7.98 0.00 -1.26 -4.52 105.19 116.44 2nvl n GLY 148 Ca -0.17 0.21 -0.30 0.00 0.00 0.00 0.00 46.02 45.76 2nvl n GLY 148 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2nvl s ARG 149 N -2.31 0.67 -0.43 1.61 0.52 -1.26 -5.02 118.95 112.73 2nvl s ARG 149 Ca 0.60 1.05 -0.05 0.00 -0.52 0.00 0.00 55.73 56.80 2nvl s ARG 149 Cb -0.47 -1.72 0.11 0.00 0.52 0.00 0.00 34.95 33.38 2nvl s ARG 149 CO 0.59 -2.71 0.26 -1.17 0.02 0.00 0.00 175.30 172.28 2nvl s LEU 150 N -6.57 5.39 0.36 2.53 2.96 -1.26 -4.98 118.68 117.10 2nvl s LEU 150 Ca 0.65 -1.95 0.09 0.00 -0.22 0.00 0.00 54.13 52.70 2nvl s LEU 150 Cb -0.21 -1.90 0.67 0.00 0.50 0.00 0.00 46.19 45.25 2nvl s LEU 150 CO 0.59 -0.59 1.84 0.58 -1.32 0.00 0.00 176.35 177.45 2nvl h VAL 151 N 6.27 1.23 -0.48 1.68 2.07 -1.95 -2.27 116.25 122.79 2nvl h VAL 151 Ca -0.17 -1.06 0.02 0.00 0.82 0.00 0.00 66.70 66.32 2nvl h VAL 151 Cb 1.06 1.39 -0.03 0.00 -1.52 0.00 0.00 31.29 32.20 2nvl h VAL 151 CO 0.76 0.32 0.32 0.44 0.02 0.00 0.00 177.57 179.43 2nvl h ASP 152 N 0.20 0.51 -0.14 0.57 3.32 -1.93 -2.00 116.42 116.94 2nvl h ASP 152 Ca 0.03 -0.01 -0.07 0.00 0.02 0.00 0.00 57.03 57.01 2nvl h ASP 152 Cb 0.54 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.95 2nvl h ASP 152 CO 0.04 0.36 -0.11 -0.08 -1.72 0.00 0.00 179.24 177.73 2nvl h GLU 153 N 0.60 0.49 -0.42 3.56 4.57 -1.75 -1.59 114.58 120.03 2nvl h GLU 153 Ca 0.19 -0.14 -0.03 0.00 -1.18 0.00 0.00 59.36 58.20 2nvl h GLU 153 Cb 0.01 -0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 28.53 2nvl h GLU 153 CO -0.04 0.60 0.16 0.82 -1.18 0.00 0.00 179.01 179.37 2nvl h ILE 154 N 0.46 1.20 -0.58 2.32 2.04 -1.41 -0.86 117.51 120.67 2nvl h ILE 154 Ca 0.09 -0.64 0.12 0.00 1.00 0.00 0.00 64.86 65.43 2nvl h ILE 154 Cb 0.47 0.84 -0.09 0.00 -0.74 0.00 0.00 36.82 37.30 2nvl h ILE 154 CO 0.03 0.23 0.05 -0.07 0.00 0.00 0.00 178.15 178.39 2nvl h LEU 155 N 0.53 -0.16 -0.49 1.44 3.38 -1.36 -2.07 115.31 116.59 2nvl h LEU 155 Ca 0.14 0.13 -0.01 0.00 0.09 0.00 0.00 57.88 58.22 2nvl h LEU 155 Cb 0.20 0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 2nvl h LEU 155 CO -0.01 -0.06 0.25 -0.09 0.09 0.00 0.00 178.44 178.62 2nvl h ARG 156 N 0.17 0.70 -0.48 1.13 2.43 -1.05 -0.03 114.38 117.24 2nvl h ARG 156 Ca 0.30 -0.10 0.00 0.00 -0.81 0.00 0.00 59.98 59.38 2nvl h ARG 156 Cb 0.47 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.87 2nvl h ARG 156 CO -0.46 0.57 0.30 0.82 -1.51 0.00 0.00 179.97 179.70 2nvl h ILE 157 N 0.65 1.14 -0.05 1.20 2.04 -1.05 -0.65 117.51 120.78 2nvl h ILE 157 Ca 0.17 -0.28 -0.01 0.00 1.00 0.00 0.00 64.86 65.74 2nvl h ILE 157 Cb 0.09 0.46 -0.00 0.00 -0.74 0.00 0.00 36.82 36.63 2nvl h ILE 157 CO -0.02 0.13 -0.01 0.58 0.00 0.00 0.00 178.15 178.83 2nvl h VAL 158 N 0.64 1.29 0.52 1.67 2.07 -1.12 -0.90 116.25 120.43 2nvl h VAL 158 Ca 0.17 -0.89 -0.01 0.00 0.82 0.00 0.00 66.70 66.79 2nvl h VAL 158 Cb -0.04 1.79 -0.02 0.00 -1.52 0.00 0.00 31.29 31.50 2nvl h VAL 158 CO -0.04 0.24 -0.47 0.50 0.02 0.00 0.00 177.57 177.82 2nvl h LYS 159 N -0.25 -0.95 -0.92 1.57 1.63 -0.97 0.18 116.57 116.86 2nvl h LYS 159 Ca 0.01 0.06 0.18 0.00 -0.85 0.00 0.00 60.65 60.06 2nvl h LYS 159 Cb 0.39 0.22 -0.11 0.00 -0.60 0.00 0.00 32.23 32.13 2nvl h LYS 159 CO 0.00 -0.63 0.50 0.00 -3.45 0.00 0.00 179.45 175.87 2nvl h ALA 160 N -0.79 1.47 -0.22 5.00 0.00 -1.16 -1.23 119.26 122.33 2nvl h ALA 160 Ca -0.06 0.10 -0.19 0.00 0.00 0.00 0.00 54.91 54.76 2nvl h ALA 160 Cb 0.85 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.63 2nvl h ALA 160 CO -0.04 -0.12 -0.61 1.25 0.00 0.00 0.00 179.25 179.73 2nvl h LEU 161 N 0.64 0.92 -0.94 0.00 5.85 -0.79 0.12 115.31 121.10 2nvl h LEU 161 Ca 0.53 -0.58 -0.02 0.00 0.84 0.00 0.00 57.88 58.65 2nvl h LEU 161 Cb 0.84 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 41.56 2nvl h LEU 161 CO -0.40 1.33 0.44 0.11 -0.34 0.00 0.00 178.44 179.58 2nvl h LYS 162 N 0.55 1.20 0.32 1.25 1.57 -0.20 -1.79 116.57 119.47 2nvl h LYS 162 Ca -0.01 -0.15 -0.02 0.00 -1.87 0.00 0.00 60.65 58.60 2nvl h LYS 162 Cb 1.23 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 33.31 2nvl h LYS 162 CO 0.13 0.89 -0.16 -0.07 -0.57 0.00 0.00 179.45 179.68 2nvl h LEU 163 N 1.19 -0.37 -0.52 2.94 3.38 -1.06 -1.50 115.31 119.37 2nvl h LEU 163 Ca 0.30 -0.03 0.09 0.00 0.09 0.00 0.00 57.88 58.33 2nvl h LEU 163 Cb 0.06 0.10 -0.11 0.00 0.09 0.00 0.00 40.66 40.80 2nvl h LEU 163 CO -0.04 -0.21 -0.35 1.23 0.09 0.00 0.00 178.44 179.16 2nvl h GLY 164 N -0.50 -0.22 0.59 0.83 0.00 -0.69 -0.06 103.07 103.03 2nvl h GLY 164 Ca -0.04 0.45 0.05 0.00 0.00 0.00 0.00 47.33 47.78 2nvl h GLY 164 CO 0.07 -0.20 0.03 -0.55 0.00 0.00 0.00 176.54 175.89 2nvl h ASP 165 N -0.21 -0.05 1.47 0.19 3.32 -1.30 -0.22 116.42 119.62 2nvl h ASP 165 Ca 0.20 0.06 -0.02 0.00 0.02 0.00 0.00 57.03 57.29 2nvl h ASP 165 Cb 0.55 0.09 -0.00 0.00 0.22 0.00 0.00 39.33 40.19 2nvl h ASP 165 CO -0.63 0.01 -0.09 0.77 -1.72 0.00 0.00 179.24 177.58 2nvl h SER 166 N 0.13 0.00 -0.15 6.45 4.64 -0.80 -3.21 113.55 120.61 2nvl h SER 166 Ca 0.14 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 2nvl h SER 166 Cb 0.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.26 2nvl h SER 166 CO -0.21 0.09 0.00 0.18 -0.87 0.00 0.00 176.83 176.02 2nvl n LEU 167 N -3.15 2.52 -3.97 5.97 4.32 -0.08 -4.98 117.00 117.63 2nvl n LEU 167 Ca 0.02 -1.30 -0.31 0.00 -0.02 0.00 0.00 56.01 54.40 2nvl n LEU 167 Cb 0.47 -0.09 -0.01 0.00 -1.62 0.00 0.00 43.42 42.16 2nvl n LEU 167 CO 0.32 0.52 -0.23 1.17 -1.22 0.00 0.00 177.39 177.96 2nvl n LYS 168 N 0.83 -1.91 -4.19 3.23 4.81 -0.61 -5.01 118.16 115.31 2nvl n LYS 168 Ca 0.11 0.31 -0.15 0.00 -0.87 0.00 0.00 58.31 57.71 2nvl n LYS 168 Cb 0.40 -3.94 -0.11 0.00 0.02 0.00 0.00 35.03 31.40 2nvl n LYS 168 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 2nvl s ARG 169 N -6.70 0.88 0.22 1.64 1.81 -0.19 -4.55 118.95 112.06 2nvl s ARG 169 Ca 0.19 -1.20 0.06 0.00 -1.72 0.00 0.00 55.73 53.06 2nvl s ARG 169 Cb -0.09 -0.57 -0.03 0.00 -0.45 0.00 0.00 34.95 33.81 2nvl s ARG 169 CO 0.91 0.09 0.24 0.00 -0.68 0.00 0.00 175.30 175.86 2nvl s ALA 170 N -2.54 3.71 -0.17 2.13 0.00 0.76 -4.34 121.76 121.31 2nvl s ALA 170 Ca 0.07 -1.30 -0.00 0.00 0.00 0.00 0.00 51.96 50.73 2nvl s ALA 170 Cb -0.02 -1.47 0.00 0.00 0.00 0.00 0.00 23.12 21.63 2nvl s ALA 170 CO 0.00 0.32 -0.15 0.08 0.00 0.00 0.00 175.76 176.01 2nvl s VAL 171 N -1.99 2.64 0.80 0.00 1.01 -1.26 -0.46 120.40 121.14 2nvl s VAL 171 Ca 0.33 -0.77 -0.12 0.00 0.00 0.00 0.00 61.98 61.42 2nvl s VAL 171 Cb -0.09 -2.13 0.07 0.00 0.00 0.00 0.00 36.38 34.24 2nvl s VAL 171 CO 0.26 0.51 1.14 -2.16 0.00 0.00 0.00 175.10 174.85 2nvl s PRO 172 N 0.96 2.08 0.49 2.72 0.04 -1.26 -4.96 135.00 135.08 2nvl s PRO 172 Ca -0.02 0.32 -0.22 0.00 0.04 0.00 0.00 61.00 61.12 2nvl s PRO 172 Cb -0.15 -1.95 -0.08 0.00 0.04 0.00 0.00 34.50 32.36 2nvl s PRO 172 CO -0.02 -1.55 0.99 0.00 0.04 0.00 0.00 177.00 176.45 2nvl n ALA 173 N -3.33 0.21 -1.33 8.56 0.00 -1.26 -2.43 120.51 120.93 2nvl n ALA 173 Ca 0.07 0.14 -0.13 0.00 0.00 0.00 0.00 53.44 53.52 2nvl n ALA 173 Cb 0.59 -2.09 -0.06 0.00 0.00 0.00 0.00 19.45 17.89 2nvl n ALA 173 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2nvl n ASP 174 N 0.04 -4.90 -4.77 0.00 8.00 -1.26 -3.99 116.55 109.67 2nvl n ASP 174 Ca 0.11 0.32 -0.41 0.00 0.71 0.00 0.00 54.79 55.51 2nvl n ASP 174 Cb 0.43 -3.94 -0.00 0.00 -0.02 0.00 0.00 41.12 37.58 2nvl n ASP 174 CO 0.00 0.00 0.00 0.86 -0.39 0.00 0.00 177.20 177.67 2nvl s TRP 175 N -2.05 2.59 -0.52 1.24 -0.00 -1.02 -0.47 118.94 118.71 2nvl s TRP 175 Ca 0.00 1.09 0.08 0.00 -0.00 0.00 0.00 56.10 57.27 2nvl s TRP 175 Cb 0.00 -4.05 0.49 0.00 -0.00 0.00 0.00 33.47 29.91 2nvl s TRP 175 CO 0.00 -3.16 1.28 -0.35 -0.00 0.00 0.00 176.95 174.73 2nvl n PRO 176 N 0.74 3.21 -1.60 5.86 -0.04 -1.26 -4.94 135.00 136.97 2nvl n PRO 176 Ca 0.02 -1.89 -0.26 0.00 -0.04 0.00 0.00 63.50 61.33 2nvl n PRO 176 Cb 0.39 -1.94 0.07 0.00 -0.04 0.00 0.00 33.50 31.97 2nvl n PRO 176 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2nvl n ASN 177 N 0.30 5.68 -4.76 3.54 3.02 0.38 -3.20 115.26 120.22 2nvl n ASN 177 Ca 0.19 -3.77 -0.41 0.00 -0.03 0.00 0.00 54.58 50.56 2nvl n ASN 177 Cb 0.86 -0.63 -0.02 0.00 -0.61 0.00 0.00 39.78 39.38 2nvl n ASN 177 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 2nvl s ASN 178 N -2.75 6.68 0.48 6.41 3.84 -0.48 -4.86 114.94 124.26 2nvl s ASN 178 Ca 0.56 2.69 0.26 0.00 0.21 0.00 0.00 52.86 56.58 2nvl s ASN 178 Cb 0.45 -2.63 1.13 0.00 -0.55 0.00 0.00 41.25 39.64 2nvl s ASN 178 CO 0.02 -0.65 1.91 -0.33 -2.79 0.00 0.00 177.10 175.26 2nvl h GLU 179 N 4.36 0.00 0.00 0.43 3.07 -1.88 0.66 114.58 121.22 2nvl h GLU 179 Ca -0.47 0.00 -0.13 0.00 -0.50 0.00 0.00 59.36 58.26 2nvl h GLU 179 Cb 1.22 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 29.11 2nvl h GLU 179 CO 0.73 0.17 -0.71 0.82 -1.40 0.00 0.00 179.01 178.61 2nvl h ILE 180 N 0.00 1.30 0.00 3.13 2.04 -1.94 -3.43 117.51 118.61 2nvl h ILE 180 Ca -0.00 -2.25 0.00 0.00 1.00 0.00 0.00 64.86 63.60 2nvl h ILE 180 Cb 0.61 2.74 0.00 0.00 -0.74 0.00 0.00 36.82 39.43 2nvl h ILE 180 CO 0.02 0.44 0.00 2.30 0.00 0.00 0.00 178.15 180.92 2nvl n ILE 181 N -4.50 0.81 0.00 -0.67 -5.35 -1.24 -5.09 119.36 103.31 2nvl n ILE 181 Ca -0.22 -0.82 0.00 0.00 -0.27 0.00 0.00 62.75 61.44 2nvl n ILE 181 Cb 0.60 0.60 0.00 0.00 -1.74 0.00 0.00 39.64 39.10 2nvl n ILE 181 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2nvl n GLY 182 N -0.40 1.38 0.81 3.28 0.00 0.22 -1.37 105.19 109.11 2nvl n GLY 182 Ca 0.00 0.41 0.12 0.00 0.00 0.00 0.00 46.02 46.56 2nvl n GLY 182 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2nvl n GLU 183 N 0.26 2.10 -0.90 1.61 0.00 -1.19 -1.39 120.64 121.13 2nvl n GLU 183 Ca 0.00 -1.62 -0.31 0.00 0.00 0.00 0.00 57.16 55.23 2nvl n GLU 183 Cb 0.00 -1.47 0.15 0.00 0.00 0.00 0.00 31.44 30.12 2nvl n GLU 183 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.13 177.33 2nvl s GLY 184 N -1.85 1.66 0.07 -1.84 0.00 -0.47 -4.87 107.32 100.02 2nvl s GLY 184 Ca 0.33 0.36 0.07 0.00 0.00 0.00 0.00 44.72 45.49 2nvl s GLY 184 CO 0.31 0.79 -0.20 1.08 0.00 0.00 0.00 173.10 175.08 2nvl s LEU 185 N -6.43 2.24 -0.05 0.66 1.43 -0.24 -4.67 118.68 111.61 2nvl s LEU 185 Ca 0.65 -0.60 -0.15 0.00 -1.03 0.00 0.00 54.13 53.00 2nvl s LEU 185 Cb -0.21 -0.88 -0.05 0.00 0.03 0.00 0.00 46.19 45.08 2nvl s LEU 185 CO 0.58 0.09 0.41 -0.63 0.23 0.00 0.00 176.35 177.03 2nvl s ILE 186 N -1.00 5.11 -0.00 -0.59 1.01 0.40 -2.12 121.20 124.01 2nvl s ILE 186 Ca 0.06 0.82 -0.27 0.00 0.00 0.00 0.00 60.65 61.26 2nvl s ILE 186 Cb -0.09 -3.72 -0.04 0.00 0.01 0.00 0.00 42.46 38.62 2nvl s ILE 186 CO 0.03 0.49 0.86 -0.69 0.00 0.00 0.00 174.94 175.63 2nvl s VAL 187 N -0.43 4.86 0.26 2.92 1.01 -0.15 -0.17 120.40 128.70 2nvl s VAL 187 Ca 0.23 1.81 -0.31 0.00 0.00 0.00 0.00 61.98 63.71 2nvl s VAL 187 Cb -0.16 -4.20 -0.13 0.00 0.00 0.00 0.00 36.38 31.89 2nvl s VAL 187 CO 0.11 0.24 1.42 -2.65 0.00 0.00 0.00 175.10 174.21 2nvl n PRO 188 N 3.58 2.14 -1.76 2.72 -0.02 -1.26 -4.55 135.00 135.84 2nvl n PRO 188 Ca 0.02 0.76 -0.40 0.00 -2.02 0.00 0.00 63.50 61.86 2nvl n PRO 188 Cb 0.51 -2.42 0.02 0.00 -0.02 0.00 0.00 33.50 31.59 2nvl n PRO 188 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2nvl n PRO 189 N 1.84 2.18 -1.85 0.52 -0.04 -1.26 -4.97 135.00 131.43 2nvl n PRO 189 Ca 0.10 0.78 -0.38 0.00 -0.04 0.00 0.00 63.50 63.96 2nvl n PRO 189 Cb 0.33 -2.64 0.03 0.00 -0.04 0.00 0.00 33.50 31.18 2nvl n PRO 189 CO 0.00 0.00 0.00 -2.14 -0.04 0.00 0.00 175.50 173.32 2nvl s PRO 190 N -2.53 3.31 0.00 0.54 0.02 -1.26 -4.95 135.00 130.13 2nvl s PRO 190 Ca 0.63 2.20 0.09 0.00 0.02 0.00 0.00 61.00 63.95 2nvl s PRO 190 Cb -0.44 -2.34 0.13 0.00 0.02 0.00 0.00 34.50 31.86 2nvl s PRO 190 CO 0.56 -1.04 0.91 0.25 -0.33 0.00 0.00 177.00 177.35 2nvl n THR 191 N -0.81 0.27 -4.01 0.99 -2.24 -1.26 -4.90 114.28 102.32 2nvl n THR 191 Ca 0.09 -0.64 -0.08 0.00 -2.27 0.00 0.00 64.05 61.15 2nvl n THR 191 Cb 0.45 1.01 -0.10 0.00 -2.10 0.00 0.00 70.33 69.59 2nvl n THR 191 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2nvl s THR 192 N -0.84 0.17 0.24 4.28 -4.23 -1.26 -5.06 115.64 108.94 2nvl s THR 192 Ca 0.13 -1.38 -0.06 0.00 -1.18 0.00 0.00 61.69 59.21 2nvl s THR 192 Cb 0.09 -1.03 0.23 0.00 1.34 0.00 0.00 72.50 73.13 2nvl s THR 192 CO 0.12 -0.76 1.88 -0.33 -0.54 0.00 0.00 174.62 175.00 2nvl h GLU 193 N 3.66 1.26 -0.84 3.99 5.08 -1.99 -1.69 114.58 124.05 2nvl h GLU 193 Ca -0.33 -0.12 -0.01 0.00 -1.00 0.00 0.00 59.36 57.90 2nvl h GLU 193 Cb 1.17 -0.26 -0.04 0.00 0.50 0.00 0.00 28.75 30.12 2nvl h GLU 193 CO 0.55 0.89 0.50 -0.44 -1.00 0.00 0.00 179.01 179.52 2nvl h ASP 194 N 1.28 1.01 -0.51 1.42 3.32 -1.99 -2.21 116.42 118.74 2nvl h ASP 194 Ca 0.33 -0.07 -0.05 0.00 0.02 0.00 0.00 57.03 57.26 2nvl h ASP 194 Cb -0.03 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.24 2nvl h ASP 194 CO -0.06 0.78 0.13 1.56 -1.72 0.00 0.00 179.24 179.93 2nvl h GLN 195 N 1.15 0.80 -0.56 3.56 4.20 -1.87 -1.81 115.11 120.59 2nvl h GLN 195 Ca 0.30 -0.19 -0.02 0.00 0.06 0.00 0.00 58.65 58.80 2nvl h GLN 195 Cb -0.04 -0.11 -0.03 0.00 0.30 0.00 0.00 27.48 27.61 2nvl h GLN 195 CO -0.06 0.77 0.26 0.00 -0.67 0.00 0.00 178.83 179.14 2nvl h ALA 196 N 1.00 0.73 -0.02 3.87 0.00 -1.27 0.41 119.26 123.97 2nvl h ALA 196 Ca 0.16 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 2nvl h ALA 196 Cb 0.32 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 2nvl h ALA 196 CO 0.00 0.30 0.01 -0.09 0.00 0.00 0.00 179.25 179.47 2nvl h ARG 197 N 0.76 0.04 -0.47 0.00 2.43 -1.35 -2.78 114.38 113.01 2nvl h ARG 197 Ca 0.19 -0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.37 2nvl h ARG 197 Cb 0.13 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.65 2nvl h ARG 197 CO -0.02 0.19 0.29 0.00 -1.51 0.00 0.00 179.97 178.91 2nvl h ALA 198 N 0.85 0.59 -0.92 2.80 0.00 -1.21 -2.43 119.26 118.94 2nvl h ALA 198 Ca 0.01 -0.02 0.10 0.00 0.00 0.00 0.00 54.91 55.00 2nvl h ALA 198 Cb 0.16 -0.15 -0.08 0.00 0.00 0.00 0.00 17.79 17.72 2nvl h ALA 198 CO -0.00 -0.01 0.56 -0.09 0.00 0.00 0.00 179.25 179.72 2nvl h ARG 199 N 0.58 0.90 0.00 0.00 9.65 -0.86 -1.34 114.38 123.31 2nvl h ARG 199 Ca 0.18 -0.05 -0.02 0.00 -1.10 0.00 0.00 59.98 58.99 2nvl h ARG 199 Cb -0.02 -0.20 -0.00 0.00 -1.39 0.00 0.00 29.97 28.36 2nvl h ARG 199 CO -0.07 0.60 -0.17 0.52 2.80 0.00 0.00 179.97 183.65 2nvl h MET 200 N 0.93 0.00 0.00 0.20 2.86 -1.20 -3.13 114.93 114.59 2nvl h MET 200 Ca 0.44 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 58.08 2nvl h MET 200 Cb 0.39 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.05 2nvl h MET 200 CO -0.24 0.07 -0.85 0.93 1.06 0.00 0.00 176.91 177.87 2nvl h GLU 201 N 0.00 0.00 0.00 1.72 5.08 -1.05 -3.31 114.58 117.03 2nvl h GLU 201 Ca -0.00 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.24 2nvl h GLU 201 Cb 1.06 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.29 2nvl h GLU 201 CO 0.01 0.02 -0.54 0.66 -1.00 0.00 0.00 179.01 178.16 2nvl h SER 202 N 0.00 0.00 -0.75 1.42 4.64 -1.19 -3.47 113.55 114.20 2nvl h SER 202 Ca -0.01 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 61.08 2nvl h SER 202 Cb 1.03 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 63.02 2nvl h SER 202 CO 0.00 0.54 -0.22 0.61 -0.87 0.00 0.00 176.83 176.90 2nvl n GLY 203 N 0.44 1.10 0.07 -0.77 0.00 -1.24 -4.87 105.19 99.92 2nvl n GLY 203 Ca -0.00 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.14 2nvl n GLY 203 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2nvl n GLN 204 N -1.12 0.21 -4.45 1.61 10.64 -1.26 -4.88 117.38 118.13 2nvl n GLN 204 Ca -0.12 0.13 -0.23 0.00 -1.83 0.00 0.00 57.00 54.95 2nvl n GLN 204 Cb 0.53 -1.70 -0.10 0.00 -0.86 0.00 0.00 30.24 28.11 2nvl n GLN 204 CO 0.00 0.00 0.00 0.71 -1.83 0.00 0.00 177.06 175.94 2nvl s TYR 205 N -3.10 2.20 0.30 2.61 1.51 -1.26 -5.05 117.35 114.56 2nvl s TYR 205 Ca 0.10 -0.38 -0.29 0.00 -1.01 0.00 0.00 57.07 55.48 2nvl s TYR 205 Cb 0.14 -0.98 -0.10 0.00 -0.11 0.00 0.00 41.96 40.91 2nvl s TYR 205 CO 0.63 0.65 1.18 1.03 -1.11 0.00 0.00 175.55 177.93 2nvl s ARG 206 N -3.54 4.52 -0.02 -0.62 0.52 -1.08 -4.89 118.95 113.85 2nvl s ARG 206 Ca 0.29 1.97 -0.22 0.00 -0.52 0.00 0.00 55.73 57.25 2nvl s ARG 206 Cb -0.04 -3.14 0.04 0.00 0.52 0.00 0.00 34.95 32.33 2nvl s ARG 206 CO 0.14 0.04 0.48 -1.54 0.02 0.00 0.00 175.30 174.44 2nvl s SER 207 N -0.68 -0.40 -0.04 0.23 1.04 -1.26 -1.46 113.70 111.13 2nvl s SER 207 Ca 0.47 0.32 0.12 0.00 0.48 0.00 0.00 55.95 57.34 2nvl s SER 207 Cb -0.35 0.42 -0.19 0.00 0.10 0.00 0.00 66.02 66.01 2nvl s SER 207 CO 0.45 -0.55 0.22 0.18 0.98 0.00 0.00 173.24 174.52 2nvl n LEU 208 N 0.98 0.00 -3.82 2.42 4.32 -0.12 -5.01 117.00 115.77 2nvl n LEU 208 Ca -0.20 0.00 -0.06 0.00 -0.02 0.00 0.00 56.01 55.73 2nvl n LEU 208 Cb 0.57 0.08 -0.02 0.00 -1.62 0.00 0.00 43.42 42.43 2nvl n LEU 208 CO 0.22 0.08 0.58 -0.62 -1.22 0.00 0.00 177.39 176.43 2nvl s ASP 209 N -3.75 -0.22 0.61 -1.43 -1.08 -1.22 -4.96 116.67 104.62 2nvl s ASP 209 Ca -0.05 -0.54 0.29 0.00 -0.52 0.00 0.00 52.55 51.73 2nvl s ASP 209 Cb 0.07 0.63 1.59 0.00 -1.46 0.00 0.00 42.92 43.75 2nvl s ASP 209 CO 0.53 -1.17 1.98 4.11 0.52 0.00 0.00 175.17 181.14 2nvl h TRP 210 N 2.00 0.00 -0.02 -5.34 5.08 -1.97 -1.71 115.95 113.99 2nvl h TRP 210 Ca -0.21 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.76 2nvl h TRP 210 Cb 1.24 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.40 2nvl h TRP 210 CO 0.44 0.00 -0.20 -2.67 -1.28 0.00 0.00 178.44 174.73 2nvl n TRP 211 N -3.57 0.00 -3.78 0.12 4.27 -1.26 -4.44 117.44 108.78 2nvl n TRP 211 Ca 0.04 0.00 -0.29 0.00 -3.89 0.00 0.00 57.50 53.36 2nvl n TRP 211 Cb 0.48 0.00 -0.12 0.00 -1.36 0.00 0.00 31.31 30.31 2nvl n TRP 211 CO 0.00 0.00 0.00 0.12 -2.29 0.00 0.00 177.69 175.52 2nvl s PHE 212 N -2.02 2.67 0.12 -2.67 5.99 -0.64 -4.60 117.98 116.83 2nvl s PHE 212 Ca 0.21 -2.90 0.11 0.00 0.00 0.00 0.00 56.93 54.35 2nvl s PHE 212 Cb 0.17 -2.22 -0.04 0.00 0.00 0.00 0.00 43.02 40.93 2nvl s PHE 212 CO 0.38 -0.69 -0.27 0.00 -0.00 0.00 0.00 175.22 174.65 2nvl s TRP 214 N -1.03 -0.26 0.00 0.00 -2.14 -0.53 -0.97 118.94 114.00 2nvl s TRP 214 Ca 0.13 -0.04 0.00 0.00 2.66 0.00 0.00 56.10 58.86 2nvl s TRP 214 Cb -0.10 0.38 0.00 0.00 -3.10 0.00 0.00 33.47 30.65 2nvl s TRP 214 CO 0.05 -0.81 0.00 -0.40 -2.66 0.00 0.00 176.95 173.13 2nvl n ASP 215 N -0.30 0.00 -3.32 -2.66 5.68 -0.90 -2.64 116.55 112.41 2nvl n ASP 215 Ca -0.14 -0.85 -0.26 0.00 -0.50 0.00 0.00 54.79 53.05 2nvl n ASP 215 Cb 0.64 0.00 -0.08 0.00 -1.14 0.00 0.00 41.12 40.54 2nvl n ASP 215 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 2nvl n THR 216 N 0.00 0.61 1.16 2.12 -2.24 -1.26 -1.08 114.28 113.58 2nvl n THR 216 Ca 0.00 -4.51 0.13 0.00 -2.27 0.00 0.00 64.05 57.41 2nvl n THR 216 Cb 0.00 -2.01 0.46 0.00 -2.10 0.00 0.00 70.33 66.68 2nvl n THR 216 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 2nvl n PRO 217 N 1.27 0.32 -2.87 -0.78 -0.04 -1.26 -4.88 135.00 126.76 2nvl n PRO 217 Ca 0.25 -0.14 -0.41 0.00 -0.04 0.00 0.00 63.50 63.17 2nvl n PRO 217 Cb 0.47 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.39 2nvl n PRO 217 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2nvl s ALA 218 N -2.77 3.30 0.46 0.55 0.00 -1.26 -5.02 121.76 117.01 2nvl s ALA 218 Ca 0.19 0.40 -0.22 0.00 0.00 0.00 0.00 51.96 52.33 2nvl s ALA 218 Cb 0.19 -3.13 -0.10 0.00 0.00 0.00 0.00 23.12 20.07 2nvl s ALA 218 CO 0.57 -0.02 0.79 -1.13 0.00 0.00 0.00 175.76 175.97 2nvl n SER 219 N 3.04 0.20 -0.22 0.00 3.41 -1.26 -4.79 113.62 114.00 2nvl n SER 219 Ca 0.00 0.93 0.21 0.00 -0.26 0.00 0.00 58.87 59.75 2nvl n SER 219 Cb 0.50 -1.25 0.56 0.00 -0.26 0.00 0.00 64.21 63.76 2nvl n SER 219 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 2nvl h ARG 220 N 1.00 0.29 -0.39 4.33 2.43 -1.98 -2.23 114.38 117.84 2nvl h ARG 220 Ca -0.44 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 58.71 2nvl h ARG 220 Cb 1.37 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 30.83 2nvl h ARG 220 CO 0.53 0.19 0.20 -0.44 -1.51 0.00 0.00 179.97 178.95 2nvl h ASP 221 N 0.30 0.50 -0.24 -3.80 3.32 -1.99 -1.75 116.42 112.75 2nvl h ASP 221 Ca 0.45 -0.11 0.02 0.00 0.02 0.00 0.00 57.03 57.41 2nvl h ASP 221 Cb 1.27 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 40.67 2nvl h ASP 221 CO -0.14 0.46 0.11 0.44 -1.72 0.00 0.00 179.24 178.40 2nvl h ASP 222 N 0.49 0.16 -0.41 6.45 3.32 -1.80 0.30 116.42 124.93 2nvl h ASP 222 Ca 0.14 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.19 2nvl h ASP 222 Cb 0.09 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 39.60 2nvl h ASP 222 CO -0.02 0.13 0.21 0.58 -1.72 0.00 0.00 179.24 178.41 2nvl h VAL 223 N 0.24 1.17 0.01 -1.35 2.07 -1.37 -2.42 116.25 114.60 2nvl h VAL 223 Ca 0.10 -0.47 -0.19 0.00 0.82 0.00 0.00 66.70 66.96 2nvl h VAL 223 Cb 0.04 0.72 -0.02 0.00 -1.52 0.00 0.00 31.29 30.51 2nvl h VAL 223 CO -0.08 0.18 -0.88 -0.33 0.02 0.00 0.00 177.57 176.49 2nvl h GLU 224 N 0.53 0.09 -0.12 1.57 5.08 -1.13 -2.40 114.58 118.20 2nvl h GLU 224 Ca 0.14 -0.11 0.04 0.00 -1.00 0.00 0.00 59.36 58.43 2nvl h GLU 224 Cb 0.10 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.34 2nvl h GLU 224 CO -0.02 0.91 -0.12 0.93 -1.00 0.00 0.00 179.01 179.70 2nvl h GLU 225 N 0.05 -0.15 -0.87 2.33 4.39 -0.90 -0.27 114.58 119.16 2nvl h GLU 225 Ca -0.03 0.01 0.03 0.00 0.34 0.00 0.00 59.36 59.71 2nvl h GLU 225 Cb 1.52 0.03 -0.05 0.00 -0.10 0.00 0.00 28.75 30.16 2nvl h GLU 225 CO 0.12 -0.10 0.57 0.00 -1.16 0.00 0.00 179.01 178.45 2nvl h ALA 226 N 0.92 1.44 0.00 3.43 0.00 -1.30 -2.42 119.26 121.33 2nvl h ALA 226 Ca 0.09 -0.05 -0.15 0.00 0.00 0.00 0.00 54.91 54.80 2nvl h ALA 226 Cb 0.28 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 2nvl h ALA 226 CO -0.21 0.49 -0.71 -0.09 0.00 0.00 0.00 179.25 178.73 2nvl h ARG 227 N 1.11 0.00 -0.28 0.00 2.43 -1.25 -2.92 114.38 113.46 2nvl h ARG 227 Ca 0.34 0.00 0.04 0.00 -0.81 0.00 0.00 59.98 59.55 2nvl h ARG 227 Cb -0.02 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.49 2nvl h ARG 227 CO -0.09 0.71 0.03 -0.09 -1.51 0.00 0.00 179.97 179.01 2nvl h ARG 228 N 0.00 0.12 -0.55 0.20 2.43 -0.55 0.64 114.38 116.66 2nvl h ARG 228 Ca -0.01 -0.01 0.11 0.00 -0.81 0.00 0.00 59.98 59.27 2nvl h ARG 228 Cb 1.34 -0.03 -0.10 0.00 -0.42 0.00 0.00 29.97 30.76 2nvl h ARG 228 CO 0.09 0.08 -0.13 1.88 -1.51 0.00 0.00 179.97 180.38 2nvl h TYR 229 N 0.12 -0.27 -0.37 2.20 0.99 -1.31 0.26 116.97 118.60 2nvl h TYR 229 Ca 0.13 0.05 -0.06 0.00 2.00 0.00 0.00 58.73 60.85 2nvl h TYR 229 Cb 0.16 0.20 -0.01 0.00 1.00 0.00 0.00 36.73 38.08 2nvl h TYR 229 CO -0.19 -0.23 -0.01 -0.07 -0.00 0.00 0.00 178.16 177.66 2nvl h LEU 230 N 0.01 0.65 -0.57 3.88 3.38 -1.47 -2.16 115.31 119.03 2nvl h LEU 230 Ca 0.27 -0.32 0.03 0.00 0.09 0.00 0.00 57.88 57.95 2nvl h LEU 230 Cb 0.41 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.94 2nvl h LEU 230 CO -0.56 0.81 0.33 -0.09 0.09 0.00 0.00 178.44 179.02 2nvl h ARG 231 N 0.47 0.63 -0.72 1.13 2.43 -0.20 -0.49 114.38 117.63 2nvl h ARG 231 Ca 0.10 -0.04 0.05 0.00 -0.81 0.00 0.00 59.98 59.29 2nvl h ARG 231 Cb 0.49 -0.14 -0.05 0.00 -0.42 0.00 0.00 29.97 29.84 2nvl h ARG 231 CO 0.02 0.42 0.43 -0.09 -1.51 0.00 0.00 179.97 179.24 2nvl h ARG 232 N 0.65 0.77 -0.60 0.20 2.43 -0.31 -0.91 114.38 116.61 2nvl h ARG 232 Ca 0.24 -0.05 -0.04 0.00 -0.81 0.00 0.00 59.98 59.32 2nvl h ARG 232 Cb 0.07 -0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 29.41 2nvl h ARG 232 CO -0.12 0.51 0.21 0.00 -1.51 0.00 0.00 179.97 179.06 2nvl h ALA 233 N 1.35 1.24 0.00 2.80 0.00 -0.92 -2.54 119.26 121.19 2nvl h ALA 233 Ca 0.31 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2nvl h ALA 233 Cb 0.14 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.69 2nvl h ALA 233 CO -0.16 0.54 0.00 0.00 0.00 0.00 0.00 179.25 179.63 2nvl h ALA 234 N 1.36 1.00 -2.45 0.00 0.00 -0.47 -3.46 119.26 115.24 2nvl h ALA 234 Ca 0.20 0.00 -0.54 0.00 0.00 0.00 0.00 54.91 54.57 2nvl h ALA 234 Cb 0.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.00 2nvl h ALA 234 CO -0.01 0.00 0.63 -1.21 0.00 0.00 0.00 179.25 178.66 2nvl s GLU 235 N -3.40 4.39 0.17 0.00 2.02 -0.40 -5.00 118.70 116.47 2nvl s GLU 235 Ca 0.05 1.81 -0.32 0.00 0.02 0.00 0.00 54.97 56.53 2nvl s GLU 235 Cb 0.08 -3.40 -0.11 0.00 0.10 0.00 0.00 34.13 30.80 2nvl s GLU 235 CO 0.58 -0.35 1.73 0.21 0.02 0.00 0.00 175.26 177.46 2nvl s LYS 236 N 1.41 4.14 0.44 1.61 2.20 -1.26 -4.95 119.74 123.33 2nvl s LYS 236 Ca 0.59 2.56 -0.23 0.00 -0.36 0.00 0.00 55.97 58.53 2nvl s LYS 236 Cb -0.30 -3.24 -0.08 0.00 -1.51 0.00 0.00 37.83 32.70 2nvl s LYS 236 CO 0.28 -0.76 1.14 -1.25 -0.36 0.00 0.00 175.35 174.40 2nvl s PRO 237 N 1.65 3.86 -0.16 4.03 0.04 -1.26 -5.01 135.00 138.16 2nvl s PRO 237 Ca 0.76 1.72 -0.25 0.00 0.04 0.00 0.00 61.00 63.27 2nvl s PRO 237 Cb -0.48 -2.45 -0.02 0.00 0.04 0.00 0.00 34.50 31.60 2nvl s PRO 237 CO 0.33 -0.45 0.81 0.00 0.04 0.00 0.00 177.00 177.73 2nvl s ALA 238 N -1.56 3.50 0.11 8.56 0.00 -1.26 -4.78 121.76 126.32 2nvl s ALA 238 Ca 0.62 0.03 0.00 0.00 0.00 0.00 0.00 51.96 52.61 2nvl s ALA 238 Cb -0.27 -3.20 0.00 0.00 0.00 0.00 0.00 23.12 19.65 2nvl s ALA 238 CO 0.33 -0.60 0.00 1.17 0.00 0.00 0.00 175.76 176.66 2nvl n LYS 239 N 5.10 -4.13 -3.23 0.00 4.81 -1.26 -4.96 118.16 114.49 2nvl n LYS 239 Ca 0.04 2.93 -0.36 0.00 -0.87 0.00 0.00 58.31 60.04 2nvl n LYS 239 Cb 0.49 -3.46 -0.06 0.00 0.02 0.00 0.00 35.03 32.02 2nvl n LYS 239 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 2nvl s LEU 240 N -0.41 4.39 0.59 3.14 1.43 -1.26 -4.99 118.68 121.57 2nvl s LEU 240 Ca 0.00 1.26 0.36 0.00 -1.03 0.00 0.00 54.13 54.72 2nvl s LEU 240 Cb 0.00 -3.30 1.84 0.00 0.03 0.00 0.00 46.19 44.76 2nvl s LEU 240 CO 0.00 0.12 2.18 -0.07 0.23 0.00 0.00 176.35 178.81 2nvl h LEU 241 N 3.74 0.00 -0.72 1.79 3.38 -1.95 -2.79 115.31 118.77 2nvl h LEU 241 Ca -0.48 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.36 2nvl h LEU 241 Cb 1.20 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.94 2nvl h LEU 241 CO 0.65 0.04 -0.33 0.10 0.09 0.00 0.00 178.44 178.99 2nvl h TYR 242 N 0.00 0.71 0.53 1.13 -0.00 -1.94 -2.94 116.97 114.46 2nvl h TYR 242 Ca -0.00 -0.18 -0.02 0.00 0.00 0.00 0.00 58.73 58.52 2nvl h TYR 242 Cb 0.22 -0.16 0.00 0.00 0.00 0.00 0.00 36.73 36.79 2nvl h TYR 242 CO 0.00 0.86 -0.30 0.93 -0.00 0.00 0.00 178.16 179.65 2nvl h GLU 243 N 0.52 -0.74 -1.13 0.10 5.08 -1.91 -2.60 114.58 113.90 2nvl h GLU 243 Ca 0.06 0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 2nvl h GLU 243 Cb 0.82 0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.24 2nvl h GLU 243 CO 0.07 -0.50 0.00 -0.85 -1.00 0.00 0.00 179.01 176.73 2nvl n GLU 244 N -4.24 0.86 0.00 2.33 0.28 -1.23 -5.13 120.64 113.50 2nvl n GLU 244 Ca -0.10 0.00 0.11 0.00 -0.16 0.00 0.00 57.16 57.01 2nvl n GLU 244 Cb 0.32 -1.09 0.63 0.00 1.43 0.00 0.00 31.44 32.73 2nvl n GLU 244 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97