#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f42 s TRP 2 N 0.00 0.34 -0.20 9.51 1.48 -0.82 -4.99 118.94 124.25 1f42 s TRP 2 Ca 0.00 -0.74 -0.25 0.00 -1.06 0.00 0.00 56.10 54.04 1f42 s TRP 2 Cb 0.00 -0.24 -0.01 0.00 -1.16 0.00 0.00 33.47 32.06 1f42 s TRP 2 CO 0.00 -0.36 0.86 -2.00 -4.06 0.00 0.00 176.95 171.39 1f42 s GLU 3 N -3.04 4.25 -0.14 3.25 2.12 -1.26 -1.00 118.70 122.88 1f42 s GLU 3 Ca -0.01 1.03 -0.17 0.00 0.36 0.00 0.00 54.97 56.18 1f42 s GLU 3 Cb 0.01 -3.61 -0.15 0.00 0.26 0.00 0.00 34.13 30.65 1f42 s GLU 3 CO -0.07 -0.44 0.32 1.25 -0.54 0.00 0.00 175.26 175.79 1f42 h LEU 4 N 8.78 0.00 -8.38 2.70 5.85 -1.53 -3.48 115.31 119.25 1f42 h LEU 4 Ca -0.26 -0.50 -0.14 0.00 0.84 0.00 0.00 57.88 57.82 1f42 h LEU 4 Cb 1.11 0.00 -0.10 0.00 0.37 0.00 0.00 40.66 42.04 1f42 h LEU 4 CO 0.87 0.93 -0.25 -1.59 -0.34 0.00 0.00 178.44 178.06 1f42 s LYS 5 N -2.07 1.54 -0.41 1.25 -2.85 -1.22 -5.06 119.74 110.92 1f42 s LYS 5 Ca -0.15 -1.44 -0.44 0.00 -1.00 0.00 0.00 55.97 52.94 1f42 s LYS 5 Cb 0.00 0.42 -0.18 0.00 -2.06 0.00 0.00 37.83 36.01 1f42 s LYS 5 CO 0.42 -0.62 1.70 1.17 0.10 0.00 0.00 175.35 178.13 1f42 n LYS 6 N -0.39 0.46 -0.98 1.78 4.81 -1.26 -1.21 118.16 121.37 1f42 n LYS 6 Ca -0.00 0.17 0.00 0.00 -0.87 0.00 0.00 58.31 57.61 1f42 n LYS 6 Cb 0.63 -1.75 0.00 0.00 0.02 0.00 0.00 35.03 33.92 1f42 n LYS 6 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1f42 n ASP 7 N 4.87 -4.56 -4.17 3.14 8.00 -1.26 -4.98 116.55 117.59 1f42 n ASP 7 Ca 0.31 0.00 -0.31 0.00 0.71 0.00 0.00 54.79 55.50 1f42 n ASP 7 Cb 0.02 -2.28 -0.17 0.00 -0.02 0.00 0.00 41.12 38.67 1f42 n ASP 7 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1f42 s VAL 8 N -1.44 1.93 0.07 2.53 1.01 -0.35 -1.15 120.40 123.01 1f42 s VAL 8 Ca 0.00 -0.93 0.05 0.00 0.00 0.00 0.00 61.98 61.10 1f42 s VAL 8 Cb 0.00 -1.69 -0.03 0.00 0.00 0.00 0.00 36.38 34.66 1f42 s VAL 8 CO 0.00 0.53 -0.13 -0.31 0.00 0.00 0.00 175.10 175.19 1f42 s TYR 9 N 0.56 1.14 -0.08 5.22 2.02 0.53 -1.25 117.35 125.48 1f42 s TYR 9 Ca -0.14 -0.49 0.03 0.00 -0.37 0.00 0.00 57.07 56.10 1f42 s TYR 9 Cb -0.17 -0.64 -0.02 0.00 -0.40 0.00 0.00 41.96 40.74 1f42 s TYR 9 CO 0.04 0.04 -0.16 0.08 -1.57 0.00 0.00 175.55 173.98 1f42 s VAL 10 N -1.45 2.82 -0.16 0.71 1.01 -0.17 -0.69 120.40 122.47 1f42 s VAL 10 Ca -0.02 -0.78 0.01 0.00 0.00 0.00 0.00 61.98 61.19 1f42 s VAL 10 Cb -0.09 -2.12 0.01 0.00 0.00 0.00 0.00 36.38 34.18 1f42 s VAL 10 CO 0.02 0.56 -0.17 -0.69 0.00 0.00 0.00 175.10 174.82 1f42 s VAL 11 N -0.17 2.45 -0.39 2.92 1.01 -0.52 -1.95 120.40 123.75 1f42 s VAL 11 Ca -0.01 -0.83 -0.22 0.00 0.00 0.00 0.00 61.98 60.92 1f42 s VAL 11 Cb -0.14 -2.03 0.01 0.00 0.00 0.00 0.00 36.38 34.23 1f42 s VAL 11 CO 0.03 0.52 0.71 -1.61 0.00 0.00 0.00 175.10 174.75 1f42 s GLU 12 N 0.98 3.60 -0.05 2.72 2.02 -1.26 -1.38 118.70 125.34 1f42 s GLU 12 Ca -0.02 0.05 0.05 0.00 0.02 0.00 0.00 54.97 55.07 1f42 s GLU 12 Cb -0.15 -3.85 -0.02 0.00 0.10 0.00 0.00 34.13 30.21 1f42 s GLU 12 CO -0.04 -0.87 -0.21 -0.51 0.02 0.00 0.00 175.26 173.65 1f42 s LEU 13 N 2.95 2.33 -0.25 1.80 1.02 -1.01 -4.94 118.68 120.58 1f42 s LEU 13 Ca 0.27 -0.39 -0.29 0.00 0.02 0.00 0.00 54.13 53.74 1f42 s LEU 13 Cb -0.14 -1.44 0.01 0.00 0.02 0.00 0.00 46.19 44.64 1f42 s LEU 13 CO 0.17 0.29 1.07 -1.81 0.02 0.00 0.00 176.35 176.09 1f42 s ASP 14 N -0.39 7.04 -0.58 2.29 1.01 -1.26 -0.70 116.67 124.07 1f42 s ASP 14 Ca 0.04 1.32 -0.23 0.00 0.71 0.00 0.00 52.55 54.38 1f42 s ASP 14 Cb -0.12 -2.54 0.05 0.00 1.01 0.00 0.00 42.92 41.32 1f42 s ASP 14 CO 0.02 -0.74 0.93 0.86 0.21 0.00 0.00 175.17 176.45 1f42 s TRP 15 N 3.36 2.77 -0.09 4.23 -0.11 -0.83 -4.86 118.94 123.42 1f42 s TRP 15 Ca 0.45 -0.20 -0.31 0.00 1.22 0.00 0.00 56.10 57.27 1f42 s TRP 15 Cb -0.15 -4.09 0.09 0.00 -1.50 0.00 0.00 33.47 27.82 1f42 s TRP 15 CO 0.09 -1.41 0.79 1.52 -4.62 0.00 0.00 176.95 173.32 1f42 s TYR 16 N 3.90 -0.55 0.21 5.86 -0.85 -1.26 -4.63 117.35 120.02 1f42 s TYR 16 Ca 0.27 0.94 -0.32 0.00 -0.52 0.00 0.00 57.07 57.43 1f42 s TYR 16 Cb -0.14 0.43 -0.14 0.00 0.38 0.00 0.00 41.96 42.49 1f42 s TYR 16 CO 0.16 -0.52 1.46 -2.30 -1.52 0.00 0.00 175.55 172.83 1f42 n PRO 17 N 0.82 2.02 -3.52 -3.49 -0.02 -1.26 -2.67 135.00 126.87 1f42 n PRO 17 Ca -0.16 0.72 -0.23 0.00 -2.02 0.00 0.00 63.50 61.82 1f42 n PRO 17 Cb 0.57 -2.41 0.07 0.00 -0.02 0.00 0.00 33.50 31.72 1f42 n PRO 17 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1f42 n ASP 18 N 2.58 -6.18 -4.77 2.55 10.43 -1.26 -4.98 116.55 114.92 1f42 n ASP 18 Ca 0.14 -0.50 -0.39 0.00 2.57 0.00 0.00 54.79 56.60 1f42 n ASP 18 Cb 0.30 -4.81 -0.02 0.00 1.84 0.00 0.00 41.12 38.42 1f42 n ASP 18 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1f42 s ALA 19 N -3.30 3.31 0.26 2.24 0.00 -1.09 -4.93 121.76 118.24 1f42 s ALA 19 Ca 0.55 1.08 -0.02 0.00 0.00 0.00 0.00 51.96 53.57 1f42 s ALA 19 Cb -0.24 -3.42 0.48 0.00 0.00 0.00 0.00 23.12 19.94 1f42 s ALA 19 CO 0.68 -0.55 1.79 -1.00 0.00 0.00 0.00 175.76 176.68 1f42 h PRO 20 N 3.04 0.72 0.00 0.00 0.13 -1.92 -3.46 132.00 130.51 1f42 h PRO 20 Ca -0.49 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.60 1f42 h PRO 20 Cb 1.23 -0.16 0.00 0.00 0.13 0.00 0.00 31.00 32.20 1f42 h PRO 20 CO 0.64 0.48 0.00 0.41 -0.23 0.00 0.00 178.00 179.30 1f42 n GLY 21 N -1.32 -0.38 2.90 1.56 0.00 -1.26 -4.75 105.19 101.93 1f42 n GLY 21 Ca 0.16 -1.37 -0.17 0.00 0.00 0.00 0.00 46.02 44.64 1f42 n GLY 21 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1f42 s GLU 22 N 0.00 0.47 -0.33 1.61 2.12 0.02 -4.96 118.70 117.64 1f42 s GLU 22 Ca 0.00 -0.08 -0.26 0.00 0.36 0.00 0.00 54.97 54.99 1f42 s GLU 22 Cb 0.00 -0.51 0.01 0.00 0.26 0.00 0.00 34.13 33.89 1f42 s GLU 22 CO 0.00 -0.01 0.93 1.41 -0.54 0.00 0.00 175.26 177.05 1f42 s MET 23 N 0.47 3.96 -0.12 4.30 -2.45 -1.26 0.22 119.30 124.43 1f42 s MET 23 Ca -0.05 0.76 0.01 0.00 -1.25 0.00 0.00 55.69 55.16 1f42 s MET 23 Cb -0.09 -3.75 -0.01 0.00 1.25 0.00 0.00 34.83 32.23 1f42 s MET 23 CO -0.01 -0.83 -0.16 0.08 1.05 0.00 0.00 175.02 175.15 1f42 s VAL 24 N 3.34 2.78 -0.33 10.11 1.01 0.08 -4.98 120.40 132.42 1f42 s VAL 24 Ca 0.39 -0.76 -0.04 0.00 0.00 0.00 0.00 61.98 61.56 1f42 s VAL 24 Cb -0.13 -2.14 0.05 0.00 0.00 0.00 0.00 36.38 34.16 1f42 s VAL 24 CO 0.15 0.54 0.06 -0.69 0.00 0.00 0.00 175.10 175.16 1f42 s VAL 25 N 0.30 3.36 -0.10 2.92 1.01 -1.26 -1.28 120.40 125.34 1f42 s VAL 25 Ca -0.12 -1.34 -0.17 0.00 0.00 0.00 0.00 61.98 60.34 1f42 s VAL 25 Cb -0.16 -2.95 -0.05 0.00 0.00 0.00 0.00 36.38 33.22 1f42 s VAL 25 CO 0.06 -0.19 0.46 -0.76 0.00 0.00 0.00 175.10 174.67 1f42 s LEU 26 N 1.31 4.31 -0.13 3.92 1.43 0.48 -4.92 118.68 125.08 1f42 s LEU 26 Ca -0.03 0.83 -0.02 0.00 -1.03 0.00 0.00 54.13 53.88 1f42 s LEU 26 Cb -0.20 -2.67 -0.03 0.00 0.03 0.00 0.00 46.19 43.33 1f42 s LEU 26 CO 0.00 0.06 -0.05 -0.89 0.23 0.00 0.00 176.35 175.70 1f42 s THR 27 N 0.34 3.80 0.16 5.49 2.01 -1.26 -1.12 115.64 125.06 1f42 s THR 27 Ca 0.25 -0.41 -0.30 0.00 0.31 0.00 0.00 61.69 61.54 1f42 s THR 27 Cb -0.15 -2.63 -0.07 0.00 0.01 0.00 0.00 72.50 69.66 1f42 s THR 27 CO 0.11 0.53 1.09 0.00 -0.69 0.00 0.00 174.62 175.65 1f42 n ASP 29 N 2.49 5.30 -3.62 0.00 2.03 -1.26 -4.90 116.55 116.59 1f42 n ASP 29 Ca 0.03 -3.01 -0.15 0.00 0.52 0.00 0.00 54.79 52.18 1f42 n ASP 29 Cb 0.47 -1.52 -0.06 0.00 -0.72 0.00 0.00 41.12 39.28 1f42 n ASP 29 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 1f42 s THR 30 N 0.85 0.03 -2.52 5.18 -1.32 -1.26 -4.66 115.64 111.94 1f42 s THR 30 Ca 0.40 -0.26 0.25 0.00 -1.21 0.00 0.00 61.69 60.87 1f42 s THR 30 Cb -0.03 -0.89 0.21 0.00 -1.51 0.00 0.00 72.50 70.28 1f42 s THR 30 CO -0.01 -0.14 1.33 -0.81 -2.21 0.00 0.00 174.62 172.77 1f42 n PRO 31 N 0.79 1.76 -2.60 7.08 -0.04 -1.26 -4.94 135.00 135.78 1f42 n PRO 31 Ca -0.19 -1.36 -0.40 0.00 -0.04 0.00 0.00 63.50 61.50 1f42 n PRO 31 Cb 0.58 -1.47 -0.05 0.00 -0.04 0.00 0.00 33.50 32.52 1f42 n PRO 31 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1f42 s GLU 32 N -2.18 4.70 -0.10 0.54 0.41 -1.26 -4.98 118.70 115.83 1f42 s GLU 32 Ca 0.27 1.65 0.14 0.00 -0.41 0.00 0.00 54.97 56.62 1f42 s GLU 32 Cb 0.20 -3.26 -0.21 0.00 -1.78 0.00 0.00 34.13 29.08 1f42 s GLU 32 CO 0.40 0.27 0.16 0.39 -0.49 0.00 0.00 175.26 175.99 1f42 n GLU 33 N 1.78 1.18 -3.36 1.61 -0.58 -1.26 -4.93 120.64 115.08 1f42 n GLU 33 Ca 0.00 -0.06 -0.34 0.00 -0.42 0.00 0.00 57.16 56.34 1f42 n GLU 33 Cb 0.46 -1.38 -0.06 0.00 -0.57 0.00 0.00 31.44 29.90 1f42 n GLU 33 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1f42 s ASP 34 N -4.44 6.77 -1.50 1.62 -0.00 -1.26 -4.52 116.67 113.34 1f42 s ASP 34 Ca -0.07 1.04 0.00 0.00 -0.00 0.00 0.00 52.55 53.53 1f42 s ASP 34 Cb 0.07 -2.28 0.00 0.00 -0.00 0.00 0.00 42.92 40.71 1f42 s ASP 34 CO 0.62 0.05 0.00 0.61 -0.00 0.00 0.00 175.17 176.45 1f42 n GLY 35 N 0.53 -0.47 3.72 0.21 0.00 -1.26 -4.98 105.19 102.94 1f42 n GLY 35 Ca -0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.57 1f42 n GLY 35 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1f42 s ILE 36 N -2.87 4.78 0.21 -0.61 1.01 -1.26 -4.27 121.20 118.20 1f42 s ILE 36 Ca 0.00 1.89 0.09 0.00 0.00 0.00 0.00 60.65 62.63 1f42 s ILE 36 Cb 0.00 -4.24 -0.05 0.00 0.01 0.00 0.00 42.46 38.18 1f42 s ILE 36 CO 0.00 0.25 -0.16 0.28 0.00 0.00 0.00 174.94 175.30 1f42 s THR 37 N 0.55 1.91 -0.04 2.92 -1.32 0.35 -2.75 115.64 117.27 1f42 s THR 37 Ca 0.46 -2.19 0.03 0.00 -1.21 0.00 0.00 61.69 58.79 1f42 s THR 37 Cb -0.21 -2.05 0.00 0.00 -1.51 0.00 0.00 72.50 68.73 1f42 s THR 37 CO 0.26 -0.50 -0.14 0.26 -2.21 0.00 0.00 174.62 172.30 1f42 s TRP 38 N -2.68 1.41 0.07 9.09 0.52 -0.32 -0.65 118.94 126.38 1f42 s TRP 38 Ca 0.23 -0.40 0.03 0.00 0.02 0.00 0.00 56.10 55.98 1f42 s TRP 38 Cb -0.03 -0.97 -0.03 0.00 -1.15 0.00 0.00 33.47 31.29 1f42 s TRP 38 CO 0.08 -0.15 -0.09 0.95 0.02 0.00 0.00 176.95 177.76 1f42 s THR 39 N 0.15 0.76 -0.18 2.01 -4.23 0.28 -1.10 115.64 113.32 1f42 s THR 39 Ca -0.04 -1.38 -0.04 0.00 -1.18 0.00 0.00 61.69 59.05 1f42 s THR 39 Cb -0.11 -1.02 -0.02 0.00 1.34 0.00 0.00 72.50 72.69 1f42 s THR 39 CO 0.02 -0.47 -0.03 -0.22 -0.54 0.00 0.00 174.62 173.37 1f42 s LEU 40 N -2.03 3.14 0.00 4.79 2.96 -1.26 0.02 118.68 126.30 1f42 s LEU 40 Ca -0.02 -0.22 0.00 0.00 -0.22 0.00 0.00 54.13 53.68 1f42 s LEU 40 Cb -0.06 -1.77 0.00 0.00 0.50 0.00 0.00 46.19 44.86 1f42 s LEU 40 CO -0.00 0.10 0.00 0.47 -1.32 0.00 0.00 176.35 175.60 1f42 n ASP 41 N 3.98 0.00 0.02 3.68 8.00 -0.71 -2.28 116.55 129.24 1f42 n ASP 41 Ca -0.17 0.00 0.12 0.00 0.71 0.00 0.00 54.79 55.44 1f42 n ASP 41 Cb 0.52 0.00 0.12 0.00 -0.02 0.00 0.00 41.12 41.74 1f42 n ASP 41 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1f42 n GLN 42 N 11.86 0.17 -2.23 -1.24 1.13 -1.26 -4.95 117.38 120.85 1f42 n GLN 42 Ca 0.00 0.02 -0.39 0.00 -1.94 0.00 0.00 57.00 54.69 1f42 n GLN 42 Cb 0.00 -1.57 -0.02 0.00 0.11 0.00 0.00 30.24 28.76 1f42 n GLN 42 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 1f42 s SER 43 N -3.60 6.46 0.13 1.08 0.15 -0.97 -4.96 113.70 111.99 1f42 s SER 43 Ca 0.07 2.42 0.24 0.00 0.70 0.00 0.00 55.95 59.38 1f42 s SER 43 Cb 0.15 -2.62 0.27 0.00 -1.71 0.00 0.00 66.02 62.11 1f42 s SER 43 CO 0.75 -0.72 1.26 -1.28 1.20 0.00 0.00 173.24 174.45 1f42 h SER 44 N 2.64 0.00 -2.12 5.45 0.87 -1.93 -3.40 113.55 115.07 1f42 h SER 44 Ca -0.49 -0.19 -0.59 0.00 -1.23 0.00 0.00 61.79 59.29 1f42 h SER 44 Cb 1.24 0.00 0.02 0.00 -0.44 0.00 0.00 62.40 63.21 1f42 h SER 44 CO 0.62 0.10 1.17 1.21 -0.53 0.00 0.00 176.83 179.40 1f42 n GLU 45 N -2.20 2.40 -2.32 2.24 2.13 -1.26 -4.95 120.64 116.68 1f42 n GLU 45 Ca 0.03 0.87 -0.42 0.00 0.66 0.00 0.00 57.16 58.29 1f42 n GLU 45 Cb 0.46 -2.80 -0.03 0.00 0.27 0.00 0.00 31.44 29.35 1f42 n GLU 45 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 1f42 s VAL 46 N 4.46 4.00 -0.13 6.31 1.01 -1.26 -4.57 120.40 130.22 1f42 s VAL 46 Ca 0.92 1.31 0.16 0.00 0.00 0.00 0.00 61.98 64.37 1f42 s VAL 46 Cb -0.59 -3.84 -0.08 0.00 0.00 0.00 0.00 36.38 31.87 1f42 s VAL 46 CO 0.48 -0.04 1.00 -0.07 0.00 0.00 0.00 175.10 176.46 1f42 h LEU 47 N 8.88 0.00 0.00 3.92 -0.00 -1.48 -3.49 115.31 123.14 1f42 h LEU 47 Ca -0.34 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.54 1f42 h LEU 47 Cb 1.15 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.81 1f42 h LEU 47 CO 0.92 0.55 0.00 0.61 -0.00 0.00 0.00 178.44 180.52 1f42 n GLY 48 N 1.34 -0.48 3.32 0.83 0.00 -1.26 -5.01 105.19 103.94 1f42 n GLY 48 Ca -0.06 -1.04 -0.17 0.00 0.00 0.00 0.00 46.02 44.75 1f42 n GLY 48 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1f42 s SER 49 N 0.00 1.35 0.00 1.61 1.04 -1.26 -1.18 113.70 115.27 1f42 s SER 49 Ca 0.00 -1.35 0.00 0.00 0.48 0.00 0.00 55.95 55.08 1f42 s SER 49 Cb 0.00 0.12 0.00 0.00 0.10 0.00 0.00 66.02 66.24 1f42 s SER 49 CO 0.00 -0.69 0.00 0.61 0.98 0.00 0.00 173.24 174.14 1f42 n GLY 50 N -0.47 1.38 0.22 7.32 0.00 -1.11 -4.73 105.19 107.80 1f42 n GLY 50 Ca -0.01 -2.00 0.10 0.00 0.00 0.00 0.00 46.02 44.11 1f42 n GLY 50 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1f42 h LYS 51 N 0.00 0.00 -6.64 1.61 3.64 -1.90 -3.44 116.57 109.84 1f42 h LYS 51 Ca 0.00 0.00 -0.67 0.00 -1.27 0.00 0.00 60.65 58.71 1f42 h LYS 51 Cb 0.00 0.00 -0.17 0.00 -0.41 0.00 0.00 32.23 31.65 1f42 h LYS 51 CO 0.00 0.23 -0.77 -0.08 -2.27 0.00 0.00 179.45 176.56 1f42 s THR 52 N -3.62 3.07 -0.04 1.00 -1.32 -1.26 -1.45 115.64 112.02 1f42 s THR 52 Ca 0.01 -1.39 0.01 0.00 -1.21 0.00 0.00 61.69 59.11 1f42 s THR 52 Cb 0.10 -2.42 0.02 0.00 -1.51 0.00 0.00 72.50 68.69 1f42 s THR 52 CO 0.64 0.11 -0.03 -0.22 -2.21 0.00 0.00 174.62 172.91 1f42 s LEU 53 N -2.15 1.27 -0.08 9.08 2.96 -0.28 -4.78 118.68 124.70 1f42 s LEU 53 Ca 0.19 -0.10 0.01 0.00 -0.22 0.00 0.00 54.13 54.01 1f42 s LEU 53 Cb -0.11 -0.40 -0.03 0.00 0.50 0.00 0.00 46.19 46.16 1f42 s LEU 53 CO 0.12 -0.07 -0.10 -0.89 -1.32 0.00 0.00 176.35 174.09 1f42 s THR 54 N 0.98 3.42 0.01 3.68 2.01 -1.26 -0.39 115.64 124.09 1f42 s THR 54 Ca -0.10 -0.57 -0.07 0.00 0.31 0.00 0.00 61.69 61.25 1f42 s THR 54 Cb -0.14 -2.40 -0.00 0.00 0.01 0.00 0.00 72.50 69.97 1f42 s THR 54 CO -0.00 0.57 0.14 0.27 -0.69 0.00 0.00 174.62 174.90 1f42 s ILE 55 N -0.46 0.10 -0.39 1.82 -4.36 -0.41 -5.02 121.20 112.49 1f42 s ILE 55 Ca 0.06 -0.79 -0.13 0.00 -0.26 0.00 0.00 60.65 59.52 1f42 s ILE 55 Cb -0.12 -0.57 0.02 0.00 1.25 0.00 0.00 42.46 43.03 1f42 s ILE 55 CO 0.02 -0.44 0.26 -1.58 0.24 0.00 0.00 174.94 173.44 1f42 s GLN 56 N -1.76 2.99 -0.53 0.37 2.00 -1.26 -0.74 119.66 120.73 1f42 s GLN 56 Ca -0.12 -0.99 -0.22 0.00 -2.00 0.00 0.00 55.36 52.03 1f42 s GLN 56 Cb -0.06 -3.87 0.05 0.00 0.80 0.00 0.00 33.01 29.93 1f42 s GLN 56 CO -0.00 -0.69 0.79 0.08 -0.50 0.00 0.00 175.29 174.97 1f42 s VAL 57 N 1.64 4.62 0.00 1.34 1.01 0.13 -4.80 120.40 124.35 1f42 s VAL 57 Ca 0.04 -0.10 0.00 0.00 0.00 0.00 0.00 61.98 61.92 1f42 s VAL 57 Cb -0.19 -4.43 0.00 0.00 0.00 0.00 0.00 36.38 31.76 1f42 s VAL 57 CO 0.09 -0.97 0.00 2.29 0.00 0.00 0.00 175.10 176.50 1f42 n LYS 58 N 6.85 0.91 -3.98 2.72 2.85 -1.26 -0.80 118.16 125.45 1f42 n LYS 58 Ca -0.02 0.00 -0.11 0.00 -1.05 0.00 0.00 58.31 57.13 1f42 n LYS 58 Cb 0.46 -0.94 -0.03 0.00 -0.65 0.00 0.00 35.03 33.87 1f42 n LYS 58 CO 0.00 0.00 0.00 -1.83 -0.05 0.00 0.00 177.40 175.52 1f42 s GLU 59 N -1.77 1.85 0.62 -1.58 -1.05 -1.26 -4.81 118.70 110.71 1f42 s GLU 59 Ca 0.00 -1.47 0.31 0.00 -0.15 0.00 0.00 54.97 53.66 1f42 s GLU 59 Cb 0.00 0.50 1.75 0.00 -0.44 0.00 0.00 34.13 35.94 1f42 s GLU 59 CO 0.00 -0.80 2.08 0.74 0.95 0.00 0.00 175.26 178.23 1f42 h PHE 60 N 2.13 0.00 -0.03 4.83 0.04 -1.98 -0.78 116.94 121.15 1f42 h PHE 60 Ca -0.28 0.00 -0.06 0.00 2.80 0.00 0.00 57.97 60.43 1f42 h PHE 60 Cb 1.25 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.39 1f42 h PHE 60 CO 1.03 0.00 -0.28 0.78 -0.60 0.00 0.00 178.31 179.24 1f42 h GLY 61 N 0.00 0.06 1.18 -1.45 0.00 -2.01 -1.92 103.07 98.93 1f42 h GLY 61 Ca 0.07 -0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.36 1f42 h GLY 61 CO -0.00 0.04 -0.39 1.22 0.00 0.00 0.00 176.54 177.41 1f42 n ASP 62 N -4.19 0.41 -4.95 0.19 8.00 -0.30 -4.88 116.55 110.84 1f42 n ASP 62 Ca -0.02 -0.12 -0.23 0.00 0.71 0.00 0.00 54.79 55.13 1f42 n ASP 62 Cb 0.34 0.09 0.00 0.00 -0.02 0.00 0.00 41.12 41.53 1f42 n ASP 62 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1f42 s ALA 63 N -2.98 3.73 0.00 2.24 0.00 -0.72 -4.91 121.76 119.12 1f42 s ALA 63 Ca 0.12 -0.99 0.00 0.00 0.00 0.00 0.00 51.96 51.09 1f42 s ALA 63 Cb 0.18 -2.14 0.00 0.00 0.00 0.00 0.00 23.12 21.16 1f42 s ALA 63 CO 0.66 -0.24 0.00 0.41 0.00 0.00 0.00 175.76 176.59 1f42 n GLY 64 N -1.97 0.95 3.41 0.00 0.00 -0.51 -4.95 105.19 102.13 1f42 n GLY 64 Ca -0.01 -1.93 -0.44 0.00 0.00 0.00 0.00 46.02 43.64 1f42 n GLY 64 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1f42 s GLN 65 N -1.86 3.26 -0.02 1.61 0.74 -1.26 -0.37 119.66 121.75 1f42 s GLN 65 Ca 0.00 -1.40 -0.29 0.00 0.05 0.00 0.00 55.36 53.72 1f42 s GLN 65 Cb 0.00 -4.45 -0.03 0.00 1.10 0.00 0.00 33.01 29.63 1f42 s GLN 65 CO 0.00 -1.67 0.96 0.71 -0.55 0.00 0.00 175.29 174.74 1f42 s TYR 66 N 2.88 3.63 -0.03 1.67 1.51 -0.40 -1.74 117.35 124.86 1f42 s TYR 66 Ca 0.21 1.64 0.05 0.00 -1.01 0.00 0.00 57.07 57.96 1f42 s TYR 66 Cb -0.16 -3.11 -0.01 0.00 -0.11 0.00 0.00 41.96 38.58 1f42 s TYR 66 CO 0.02 -0.04 -0.19 0.99 -1.11 0.00 0.00 175.55 175.22 1f42 s THR 67 N 1.17 1.54 -0.17 -0.71 2.01 0.10 -1.45 115.64 118.13 1f42 s THR 67 Ca 0.50 -0.80 -0.06 0.00 0.31 0.00 0.00 61.69 61.64 1f42 s THR 67 Cb -0.20 -1.30 -0.04 0.00 0.01 0.00 0.00 72.50 70.97 1f42 s THR 67 CO 0.25 0.44 0.03 0.00 -0.69 0.00 0.00 174.62 174.66 1f42 s HIS 69 N 0.37 2.27 -0.21 0.00 3.76 0.18 -1.18 115.29 120.48 1f42 s HIS 69 Ca 0.01 -0.36 -0.06 0.00 -0.15 0.00 0.00 55.06 54.50 1f42 s HIS 69 Cb -0.13 -1.09 0.10 0.00 1.11 0.00 0.00 32.58 32.57 1f42 s HIS 69 CO 0.01 0.54 0.44 0.21 -0.85 0.00 0.00 174.74 175.09 1f42 s LYS 70 N -2.87 0.35 -1.43 1.40 2.47 -0.81 -0.49 119.74 118.37 1f42 s LYS 70 Ca 0.23 1.01 -0.08 0.00 -1.56 0.00 0.00 55.97 55.57 1f42 s LYS 70 Cb -0.07 0.29 0.01 0.00 -1.46 0.00 0.00 37.83 36.60 1f42 s LYS 70 CO 0.11 -0.30 1.00 0.41 0.16 0.00 0.00 175.35 176.73 1f42 n GLY 71 N 5.39 -0.54 3.47 5.54 0.00 -1.26 -1.66 105.19 116.13 1f42 n GLY 71 Ca -0.08 0.22 0.00 0.00 0.00 0.00 0.00 46.02 46.16 1f42 n GLY 71 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1f42 n GLY 72 N -1.86 2.92 3.84 -0.02 0.00 -1.26 -5.01 105.19 103.81 1f42 n GLY 72 Ca -0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.67 1f42 n GLY 72 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1f42 s GLU 73 N 0.00 4.02 -0.14 1.61 0.41 -0.66 -5.06 118.70 118.87 1f42 s GLU 73 Ca 0.00 0.85 -0.17 0.00 -0.41 0.00 0.00 54.97 55.24 1f42 s GLU 73 Cb 0.00 -2.27 -0.04 0.00 -1.78 0.00 0.00 34.13 30.04 1f42 s GLU 73 CO 0.00 -0.05 0.45 0.08 -0.49 0.00 0.00 175.26 175.25 1f42 s VAL 74 N -2.28 5.20 -0.20 2.63 1.01 -1.26 -1.92 120.40 123.58 1f42 s VAL 74 Ca 0.57 0.87 -0.15 0.00 0.00 0.00 0.00 61.98 63.26 1f42 s VAL 74 Cb -0.10 -3.78 -0.10 0.00 0.00 0.00 0.00 36.38 32.40 1f42 s VAL 74 CO 0.22 0.31 -0.14 0.18 0.00 0.00 0.00 175.10 175.66 1f42 n LEU 75 N 3.89 1.88 -3.82 3.92 4.77 -0.32 -4.97 117.00 122.36 1f42 n LEU 75 Ca -0.08 0.45 -0.10 0.00 -0.03 0.00 0.00 56.01 56.26 1f42 n LEU 75 Cb 0.51 -0.86 -0.05 0.00 -2.33 0.00 0.00 43.42 40.69 1f42 n LEU 75 CO 0.42 -0.01 0.12 -0.55 -1.33 0.00 0.00 177.39 176.04 1f42 s SER 76 N -6.45 -0.11 0.09 -1.43 0.15 -1.23 -4.91 113.70 99.81 1f42 s SER 76 Ca -0.27 -0.62 0.08 0.00 0.70 0.00 0.00 55.95 55.84 1f42 s SER 76 Cb 0.06 0.49 -0.03 0.00 -1.71 0.00 0.00 66.02 64.83 1f42 s SER 76 CO 0.42 -0.94 -0.21 -1.00 1.20 0.00 0.00 173.24 172.71 1f42 s HIS 77 N -3.90 1.81 -0.27 3.44 3.76 -1.26 -2.29 115.29 116.58 1f42 s HIS 77 Ca 0.11 -0.41 -0.04 0.00 -0.15 0.00 0.00 55.06 54.58 1f42 s HIS 77 Cb 0.01 -1.01 0.09 0.00 1.11 0.00 0.00 32.58 32.79 1f42 s HIS 77 CO -0.04 0.19 0.11 -1.12 -0.85 0.00 0.00 174.74 173.03 1f42 s SER 78 N -1.75 3.44 -0.28 1.40 0.01 -0.53 -4.80 113.70 111.20 1f42 s SER 78 Ca 0.07 -1.24 -0.21 0.00 1.31 0.00 0.00 55.95 55.88 1f42 s SER 78 Cb -0.10 -0.44 -0.01 0.00 0.21 0.00 0.00 66.02 65.68 1f42 s SER 78 CO 0.04 -0.42 0.67 -0.22 0.41 0.00 0.00 173.24 173.72 1f42 s LEU 79 N 2.01 4.09 -0.29 2.44 2.96 -0.30 -1.27 118.68 128.32 1f42 s LEU 79 Ca 0.08 0.64 -0.09 0.00 -0.22 0.00 0.00 54.13 54.54 1f42 s LEU 79 Cb -0.16 -2.91 -0.02 0.00 0.50 0.00 0.00 46.19 43.60 1f42 s LEU 79 CO -0.30 -0.46 0.13 -0.76 -1.32 0.00 0.00 176.35 173.64 1f42 s LEU 80 N 2.64 3.89 0.11 -0.68 1.43 0.50 -0.35 118.68 126.22 1f42 s LEU 80 Ca 0.28 -0.36 0.05 0.00 -1.03 0.00 0.00 54.13 53.07 1f42 s LEU 80 Cb -0.15 -1.99 -0.04 0.00 0.03 0.00 0.00 46.19 44.04 1f42 s LEU 80 CO 0.10 -0.13 0.00 -0.76 0.23 0.00 0.00 176.35 175.80 1f42 s LEU 81 N 1.63 3.44 0.11 1.79 1.43 0.14 -1.42 118.68 125.79 1f42 s LEU 81 Ca 0.05 -0.22 0.06 0.00 -1.03 0.00 0.00 54.13 53.00 1f42 s LEU 81 Cb -0.16 -2.16 -0.04 0.00 0.03 0.00 0.00 46.19 43.86 1f42 s LEU 81 CO 0.06 0.16 -0.06 -0.76 0.23 0.00 0.00 176.35 175.98 1f42 s LEU 82 N -2.45 3.20 -0.36 1.79 1.43 -0.47 -1.44 118.68 120.38 1f42 s LEU 82 Ca 0.26 -0.32 0.03 0.00 -1.03 0.00 0.00 54.13 53.06 1f42 s LEU 82 Cb -0.11 -1.96 0.11 0.00 0.03 0.00 0.00 46.19 44.25 1f42 s LEU 82 CO 0.18 0.17 0.10 -2.28 0.23 0.00 0.00 176.35 174.75 1f42 s HIS 83 N -1.30 3.09 0.22 0.29 2.46 -0.48 0.30 115.29 119.87 1f42 s HIS 83 Ca 0.23 -2.69 -0.30 0.00 0.47 0.00 0.00 55.06 52.77 1f42 s HIS 83 Cb -0.11 -2.56 -0.09 0.00 -0.13 0.00 0.00 32.58 29.69 1f42 s HIS 83 CO 0.16 -0.90 1.33 0.15 -2.47 0.00 0.00 174.74 173.01 1f42 s LYS 84 N 0.89 4.37 -0.52 2.88 1.02 -1.26 -2.41 119.74 124.71 1f42 s LYS 84 Ca 0.12 2.10 0.04 0.00 0.02 0.00 0.00 55.97 58.24 1f42 s LYS 84 Cb -0.20 -3.17 0.14 0.00 -0.52 0.00 0.00 37.83 34.08 1f42 s LYS 84 CO -0.11 -0.27 0.30 0.21 -0.92 0.00 0.00 175.35 174.57 1f42 s LYS 85 N -0.27 1.77 -0.30 1.68 2.20 0.12 -1.91 119.74 123.03 1f42 s LYS 85 Ca 0.56 -2.52 -0.24 0.00 -0.36 0.00 0.00 55.97 53.41 1f42 s LYS 85 Cb -0.37 -2.88 0.00 0.00 -1.51 0.00 0.00 37.83 33.07 1f42 s LYS 85 CO 0.40 -1.18 0.79 -1.83 -0.36 0.00 0.00 175.35 173.17 1f42 s GLU 86 N -0.28 3.99 -1.61 4.03 -1.05 -0.97 -1.97 118.70 120.84 1f42 s GLU 86 Ca 0.20 0.63 -0.01 0.00 -0.15 0.00 0.00 54.97 55.63 1f42 s GLU 86 Cb -0.19 -3.72 0.00 0.00 -0.44 0.00 0.00 34.13 29.78 1f42 s GLU 86 CO -0.04 -0.66 0.14 -0.25 0.95 0.00 0.00 175.26 175.39 1f42 n ASP 87 N 6.19 -5.58 0.00 0.83 9.92 -1.26 -2.35 116.55 124.30 1f42 n ASP 87 Ca 0.04 -0.05 0.00 0.00 -0.53 0.00 0.00 54.79 54.25 1f42 n ASP 87 Cb 0.48 -4.63 0.00 0.00 -0.64 0.00 0.00 41.12 36.33 1f42 n ASP 87 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1f42 n GLY 88 N -1.09 0.72 3.08 0.44 0.00 -1.26 -5.07 105.19 102.01 1f42 n GLY 88 Ca -0.20 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.56 1f42 n GLY 88 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1f42 s ILE 89 N -2.42 1.32 0.31 -0.61 1.01 -0.99 -5.10 121.20 114.73 1f42 s ILE 89 Ca 0.00 -0.61 -0.29 0.00 0.00 0.00 0.00 60.65 59.75 1f42 s ILE 89 Cb 0.00 -1.18 -0.12 0.00 0.01 0.00 0.00 42.46 41.17 1f42 s ILE 89 CO 0.00 0.39 1.44 0.79 0.00 0.00 0.00 174.94 177.57 1f42 n TRP 90 N 3.61 2.57 -1.33 3.97 7.02 -1.26 -2.28 117.44 129.73 1f42 n TRP 90 Ca -0.21 0.42 -0.34 0.00 -1.02 0.00 0.00 57.50 56.35 1f42 n TRP 90 Cb 0.52 -2.50 0.10 0.00 -2.42 0.00 0.00 31.31 27.02 1f42 n TRP 90 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 1f42 s SER 91 N 0.08 4.00 -0.31 -0.99 1.04 -0.80 -4.90 113.70 111.82 1f42 s SER 91 Ca 0.60 2.36 0.18 0.00 0.48 0.00 0.00 55.95 59.58 1f42 s SER 91 Cb -0.55 -2.59 0.46 0.00 0.10 0.00 0.00 66.02 63.45 1f42 s SER 91 CO 0.56 -2.39 0.99 0.35 0.98 0.00 0.00 173.24 173.73 1f42 n THR 92 N -2.90 1.00 0.09 2.02 -2.24 -1.26 -4.77 114.28 106.22 1f42 n THR 92 Ca 0.13 -2.98 -0.05 0.00 -2.27 0.00 0.00 64.05 58.89 1f42 n THR 92 Cb 0.50 0.77 0.00 0.00 -2.10 0.00 0.00 70.33 69.51 1f42 n THR 92 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1f42 h ASP 93 N 2.91 0.01 0.17 3.42 3.32 -2.01 -3.37 116.42 120.86 1f42 h ASP 93 Ca -0.11 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 56.92 1f42 h ASP 93 Cb 1.20 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.75 1f42 h ASP 93 CO 0.43 0.85 -0.08 0.40 -1.72 0.00 0.00 179.24 179.12 1f42 h ILE 94 N 0.00 0.95 -2.79 0.35 2.04 -1.97 -3.46 117.51 112.63 1f42 h ILE 94 Ca -0.01 -0.96 -0.64 0.00 1.00 0.00 0.00 64.86 64.25 1f42 h ILE 94 Cb 1.49 1.49 -0.06 0.00 -0.74 0.00 0.00 36.82 39.00 1f42 h ILE 94 CO 0.11 0.21 -0.43 -0.76 0.00 0.00 0.00 178.15 177.27 1f42 s LEU 95 N -9.22 4.38 0.30 1.44 1.43 -1.26 -4.28 118.68 111.47 1f42 s LEU 95 Ca -0.14 0.50 -0.26 0.00 -1.03 0.00 0.00 54.13 53.20 1f42 s LEU 95 Cb 0.01 -2.45 -0.10 0.00 0.03 0.00 0.00 46.19 43.69 1f42 s LEU 95 CO 0.55 0.31 0.92 -0.54 0.23 0.00 0.00 176.35 177.83 1f42 s LYS 96 N -1.51 4.59 -0.23 1.70 1.02 0.43 -4.98 119.74 120.77 1f42 s LYS 96 Ca 0.23 1.31 -0.29 0.00 0.02 0.00 0.00 55.97 57.23 1f42 s LYS 96 Cb -0.13 -2.87 0.00 0.00 -0.52 0.00 0.00 37.83 34.31 1f42 s LYS 96 CO 0.12 0.32 1.16 0.34 -0.92 0.00 0.00 175.35 176.38 1f42 s ASP 97 N -1.56 6.96 0.28 2.83 -1.08 -1.26 -4.62 116.67 118.22 1f42 s ASP 97 Ca 0.48 1.43 0.25 0.00 -0.52 0.00 0.00 52.55 54.19 1f42 s ASP 97 Cb -0.19 -2.54 0.93 0.00 -1.46 0.00 0.00 42.92 39.66 1f42 s ASP 97 CO 0.25 -0.79 1.76 1.56 0.52 0.00 0.00 175.17 178.46 1f42 h GLN 98 N 8.06 0.00 0.00 4.34 4.20 -1.61 -3.47 115.11 126.62 1f42 h GLN 98 Ca -0.23 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.48 1f42 h GLN 98 Cb 1.08 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.86 1f42 h GLN 98 CO 0.99 0.00 0.00 0.36 -0.67 0.00 0.00 178.83 179.51 1f42 n LYS 99 N -2.38 0.00 0.06 1.46 -0.00 -1.26 -4.88 118.16 111.16 1f42 n LYS 99 Ca 0.03 0.00 -0.03 0.00 -0.00 0.00 0.00 58.31 58.32 1f42 n LYS 99 Cb 0.32 -3.15 -0.01 0.00 -0.00 0.00 0.00 35.03 32.18 1f42 n LYS 99 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.40 178.45 1f42 h GLU 100 N 0.00 -0.15 0.37 -1.58 4.11 -1.91 -3.34 114.58 112.08 1f42 h GLU 100 Ca 0.00 0.01 -0.02 0.00 0.07 0.00 0.00 59.36 59.42 1f42 h GLU 100 Cb 0.00 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.29 1f42 h GLU 100 CO 0.00 -0.10 -0.18 -1.00 0.07 0.00 0.00 179.01 177.80 1f42 h PRO 101 N -0.16 -0.48 0.00 1.06 0.13 -1.97 -3.45 132.00 127.13 1f42 h PRO 101 Ca -0.01 0.03 -0.19 0.00 -0.87 0.00 0.00 66.00 64.96 1f42 h PRO 101 Cb 0.13 0.11 -0.14 0.00 0.13 0.00 0.00 31.00 31.23 1f42 h PRO 101 CO 0.01 -0.25 -0.39 0.36 -0.23 0.00 0.00 178.00 177.51 1f42 n LYS 102 N -5.11 0.67 -1.37 0.86 0.00 -1.26 -5.16 118.16 106.78 1f42 n LYS 102 Ca -0.07 -1.53 0.00 0.00 -0.00 0.00 0.00 58.31 56.70 1f42 n LYS 102 Cb 0.23 -1.18 -0.00 0.00 -0.00 0.00 0.00 35.03 34.09 1f42 n LYS 102 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.40 177.67 1f42 n ASN 103 N 1.49 -5.31 -3.73 -5.58 0.23 -1.25 -4.81 115.26 96.31 1f42 n ASN 103 Ca 0.07 1.18 -0.27 0.00 -0.53 0.00 0.00 54.58 55.03 1f42 n ASN 103 Cb 0.65 -3.79 0.06 0.00 -2.08 0.00 0.00 39.78 34.62 1f42 n ASN 103 CO 0.00 0.00 0.00 2.29 -0.93 0.00 0.00 177.26 178.62 1f42 n LYS 104 N -2.41 -6.92 -3.76 -3.83 -0.00 -1.26 -4.98 118.16 95.00 1f42 n LYS 104 Ca -0.00 0.73 -0.37 0.00 -0.00 0.00 0.00 58.31 58.67 1f42 n LYS 104 Cb 0.31 -5.72 -0.12 0.00 -0.00 0.00 0.00 35.03 29.50 1f42 n LYS 104 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.40 178.39 1f42 s THR 105 N -3.31 3.49 -0.14 0.58 2.01 -1.26 -4.92 115.64 112.08 1f42 s THR 105 Ca 0.62 -1.71 0.17 0.00 0.31 0.00 0.00 61.69 61.08 1f42 s THR 105 Cb -0.29 -3.23 -0.24 0.00 0.01 0.00 0.00 72.50 68.75 1f42 s THR 105 CO 0.77 -0.50 0.14 0.49 -0.69 0.00 0.00 174.62 174.83 1f42 n PHE 106 N 4.69 0.00 -4.18 4.92 3.01 -1.26 -1.55 117.46 123.10 1f42 n PHE 106 Ca -0.07 0.00 -0.34 0.00 1.01 0.00 0.00 57.45 58.05 1f42 n PHE 106 Cb 0.42 -0.79 -0.13 0.00 -0.01 0.00 0.00 39.48 38.98 1f42 n PHE 106 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1f42 s LEU 107 N -5.10 3.18 -0.23 4.37 1.43 -1.26 -4.48 118.68 116.59 1f42 s LEU 107 Ca -0.08 -0.21 -0.01 0.00 -1.03 0.00 0.00 54.13 52.80 1f42 s LEU 107 Cb 0.07 -1.79 0.02 0.00 0.03 0.00 0.00 46.19 44.52 1f42 s LEU 107 CO 0.75 0.09 -0.10 -0.60 0.23 0.00 0.00 176.35 176.72 1f42 s ARG 108 N 0.86 2.87 0.00 1.70 3.52 -0.59 -4.95 118.95 122.35 1f42 s ARG 108 Ca -0.00 -0.94 0.03 0.00 -0.13 0.00 0.00 55.73 54.69 1f42 s ARG 108 Cb -0.14 -2.86 -0.03 0.00 -1.56 0.00 0.00 34.95 30.35 1f42 s ARG 108 CO 0.02 -0.34 -0.06 0.00 -0.81 0.00 0.00 175.30 174.10 1f42 s GLU 110 N -1.43 0.34 0.17 0.00 2.12 0.07 -4.86 118.70 115.11 1f42 s GLU 110 Ca 0.17 0.13 0.10 0.00 0.36 0.00 0.00 54.97 55.73 1f42 s GLU 110 Cb -0.11 0.15 -0.04 0.00 0.26 0.00 0.00 34.13 34.39 1f42 s GLU 110 CO 0.08 -0.06 -0.22 0.00 -0.54 0.00 0.00 175.26 174.52 1f42 s ALA 111 N -0.29 2.29 -0.98 6.30 0.00 -0.82 -0.86 121.76 127.39 1f42 s ALA 111 Ca -0.04 -1.55 0.14 0.00 0.00 0.00 0.00 51.96 50.52 1f42 s ALA 111 Cb -0.03 -0.28 -0.08 0.00 0.00 0.00 0.00 23.12 22.74 1f42 s ALA 111 CO 0.01 0.37 0.69 1.63 0.00 0.00 0.00 175.76 178.45 1f42 n LYS 112 N 0.39 2.14 -0.98 0.00 5.02 -1.26 -1.51 118.16 121.95 1f42 n LYS 112 Ca -0.14 -0.37 0.00 0.00 -2.02 0.00 0.00 58.31 55.78 1f42 n LYS 112 Cb 0.56 -1.18 0.00 0.00 -0.02 0.00 0.00 35.03 34.38 1f42 n LYS 112 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 1f42 n ASN 113 N -0.75 0.00 -1.44 4.39 0.23 -1.26 -4.44 115.26 111.99 1f42 n ASN 113 Ca 0.04 -0.89 0.08 0.00 -0.53 0.00 0.00 54.58 53.28 1f42 n ASN 113 Cb 0.26 0.00 0.33 0.00 -2.08 0.00 0.00 39.78 38.29 1f42 n ASN 113 CO 0.00 0.00 0.00 -1.22 -0.93 0.00 0.00 177.26 175.11 1f42 n TYR 114 N 0.00 1.46 0.18 -2.53 4.01 -1.26 -4.63 117.16 114.38 1f42 n TYR 114 Ca 0.00 -0.70 0.05 0.00 -0.16 0.00 0.00 57.90 57.09 1f42 n TYR 114 Cb 0.00 -0.32 0.24 0.00 -0.31 0.00 0.00 39.34 38.94 1f42 n TYR 114 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 1f42 n SER 115 N 0.54 0.18 0.00 7.72 3.41 -1.26 -3.92 113.62 120.30 1f42 n SER 115 Ca 0.24 0.57 0.00 0.00 -0.26 0.00 0.00 58.87 59.42 1f42 n SER 115 Cb 0.95 -0.60 0.00 0.00 -0.26 0.00 0.00 64.21 64.30 1f42 n SER 115 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1f42 n GLY 116 N -1.00 0.73 3.83 5.00 0.00 -1.26 -4.81 105.19 107.69 1f42 n GLY 116 Ca 0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.66 1f42 n GLY 116 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1f42 s ARG 117 N -0.60 3.76 0.13 1.61 3.52 -1.26 -0.23 118.95 125.89 1f42 s ARG 117 Ca 0.00 0.08 -0.09 0.00 -0.13 0.00 0.00 55.73 55.59 1f42 s ARG 117 Cb 0.00 -3.25 -0.00 0.00 -1.56 0.00 0.00 34.95 30.14 1f42 s ARG 117 CO 0.00 0.64 0.24 -0.59 -0.81 0.00 0.00 175.30 174.78 1f42 s PHE 118 N -0.73 0.28 -0.07 5.12 -0.12 0.39 -4.56 117.98 118.29 1f42 s PHE 118 Ca 0.18 -0.67 0.03 0.00 -0.05 0.00 0.00 56.93 56.41 1f42 s PHE 118 Cb -0.14 -0.05 0.01 0.00 -0.63 0.00 0.00 43.02 42.21 1f42 s PHE 118 CO 0.07 -0.64 -0.15 0.99 -0.05 0.00 0.00 175.22 175.43 1f42 s THR 119 N -3.92 1.36 -0.05 -4.49 2.01 -0.04 -0.94 115.64 109.57 1f42 s THR 119 Ca 0.12 -0.61 0.05 0.00 0.31 0.00 0.00 61.69 61.56 1f42 s THR 119 Cb 0.04 -1.22 -0.02 0.00 0.01 0.00 0.00 72.50 71.31 1f42 s THR 119 CO -0.05 0.40 -0.20 0.00 -0.69 0.00 0.00 174.62 174.08 1f42 s TRP 121 N -0.51 1.31 0.13 0.00 1.48 0.14 -0.74 118.94 120.76 1f42 s TRP 121 Ca 0.07 -0.58 -0.10 0.00 -1.06 0.00 0.00 56.10 54.43 1f42 s TRP 121 Cb -0.11 -0.69 -0.00 0.00 -1.16 0.00 0.00 33.47 31.50 1f42 s TRP 121 CO 0.01 0.11 0.26 1.67 -4.06 0.00 0.00 176.95 174.94 1f42 s TRP 122 N -2.22 0.24 0.01 1.66 -2.14 -0.50 -1.54 118.94 114.45 1f42 s TRP 122 Ca 0.08 -0.63 0.08 0.00 2.66 0.00 0.00 56.10 58.29 1f42 s TRP 122 Cb -0.04 -0.02 -0.02 0.00 -3.10 0.00 0.00 33.47 30.28 1f42 s TRP 122 CO 0.02 -0.65 -0.23 -0.51 -2.66 0.00 0.00 176.95 172.92 1f42 s LEU 123 N -2.91 2.10 0.05 -4.66 1.43 -1.26 -1.04 118.68 112.39 1f42 s LEU 123 Ca 0.11 -0.48 -0.02 0.00 -1.03 0.00 0.00 54.13 52.71 1f42 s LEU 123 Cb 0.04 -1.16 -0.03 0.00 0.03 0.00 0.00 46.19 45.07 1f42 s LEU 123 CO -0.06 0.25 -0.00 0.28 0.23 0.00 0.00 176.35 177.05 1f42 s THR 124 N -0.66 0.19 -0.25 5.49 -1.32 0.85 -0.42 115.64 119.51 1f42 s THR 124 Ca 0.09 -1.57 0.22 0.00 -1.21 0.00 0.00 61.69 59.22 1f42 s THR 124 Cb -0.09 -1.28 -0.16 0.00 -1.51 0.00 0.00 72.50 69.46 1f42 s THR 124 CO 0.00 -0.87 0.82 0.35 -2.21 0.00 0.00 174.62 172.72 1f42 n THR 125 N 0.36 0.28 -2.61 5.08 -2.24 -1.26 0.46 114.28 114.35 1f42 n THR 125 Ca -0.16 -0.45 -0.42 0.00 -2.27 0.00 0.00 64.05 60.75 1f42 n THR 125 Cb 0.60 -0.07 -0.03 0.00 -2.10 0.00 0.00 70.33 68.73 1f42 n THR 125 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1f42 s ILE 126 N -3.38 4.52 -0.66 2.28 1.01 -1.26 -4.81 121.20 118.89 1f42 s ILE 126 Ca -0.02 1.84 0.21 0.00 0.00 0.00 0.00 60.65 62.68 1f42 s ILE 126 Cb 0.12 -4.18 -0.26 0.00 0.01 0.00 0.00 42.46 38.16 1f42 s ILE 126 CO 0.84 0.16 0.77 -1.54 0.00 0.00 0.00 174.94 175.17 1f42 n SER 127 N 3.75 0.65 -3.51 3.58 3.41 -1.26 -4.87 113.62 115.37 1f42 n SER 127 Ca 0.07 -0.63 -0.04 0.00 -0.26 0.00 0.00 58.87 58.00 1f42 n SER 127 Cb 0.49 1.31 0.00 0.00 -0.26 0.00 0.00 64.21 65.76 1f42 n SER 127 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1f42 s THR 128 N -3.18 0.00 -1.58 6.66 -1.32 -1.26 -4.96 115.64 110.01 1f42 s THR 128 Ca 0.03 -0.70 -0.04 0.00 -1.21 0.00 0.00 61.69 59.77 1f42 s THR 128 Cb 0.15 -2.44 0.00 0.00 -1.51 0.00 0.00 72.50 68.71 1f42 s THR 128 CO 0.88 0.00 0.48 0.47 -2.21 0.00 0.00 174.62 174.24 1f42 n ASP 129 N -0.87 -6.03 -3.87 8.08 8.00 -1.26 -4.88 116.55 115.72 1f42 n ASP 129 Ca -0.05 -0.23 -0.23 0.00 0.71 0.00 0.00 54.79 54.99 1f42 n ASP 129 Cb 0.60 -4.88 -0.17 0.00 -0.02 0.00 0.00 41.12 36.65 1f42 n ASP 129 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1f42 s LEU 130 N -6.42 1.08 0.09 0.64 2.96 -1.26 -1.49 118.68 114.28 1f42 s LEU 130 Ca 0.24 -0.17 0.08 0.00 -0.22 0.00 0.00 54.13 54.06 1f42 s LEU 130 Cb -0.11 -0.58 -0.03 0.00 0.50 0.00 0.00 46.19 45.97 1f42 s LEU 130 CO 0.29 -0.11 -0.22 0.42 -1.32 0.00 0.00 176.35 175.42 1f42 s THR 131 N 1.43 1.80 0.07 3.68 -4.23 0.06 -5.01 115.64 113.45 1f42 s THR 131 Ca -0.02 -1.50 0.06 0.00 -1.18 0.00 0.00 61.69 59.05 1f42 s THR 131 Cb -0.13 -1.61 -0.03 0.00 1.34 0.00 0.00 72.50 72.07 1f42 s THR 131 CO -0.03 0.04 -0.15 -0.36 -0.54 0.00 0.00 174.62 173.57 1f42 s PHE 132 N -1.05 1.31 -0.04 3.99 0.08 -1.26 -1.39 117.98 119.62 1f42 s PHE 132 Ca 0.08 -0.44 -0.01 0.00 0.12 0.00 0.00 56.93 56.68 1f42 s PHE 132 Cb -0.10 -0.74 0.03 0.00 -0.57 0.00 0.00 43.02 41.64 1f42 s PHE 132 CO 0.04 0.08 0.02 0.45 -0.10 0.00 0.00 175.22 175.71 1f42 s SER 133 N -1.70 0.94 -0.12 1.36 0.15 -0.83 -4.81 113.70 108.70 1f42 s SER 133 Ca -0.00 -0.01 0.00 0.00 0.70 0.00 0.00 55.95 56.64 1f42 s SER 133 Cb -0.10 -0.25 -0.02 0.00 -1.71 0.00 0.00 66.02 63.95 1f42 s SER 133 CO 0.02 -0.17 -0.14 -0.69 1.20 0.00 0.00 173.24 173.47 1f42 s VAL 134 N 1.62 3.01 0.02 4.45 1.01 -1.26 -0.30 120.40 128.96 1f42 s VAL 134 Ca -0.01 -0.68 0.02 0.00 0.00 0.00 0.00 61.98 61.30 1f42 s VAL 134 Cb -0.13 -2.25 -0.02 0.00 0.00 0.00 0.00 36.38 33.99 1f42 s VAL 134 CO -0.03 0.53 -0.07 -1.59 0.00 0.00 0.00 175.10 173.94 1f42 s LYS 135 N 0.24 0.52 0.07 2.72 -2.85 -0.13 -4.83 119.74 115.48 1f42 s LYS 135 Ca -0.09 -0.53 -0.11 0.00 -1.00 0.00 0.00 55.97 54.23 1f42 s LYS 135 Cb -0.15 -0.39 0.01 0.00 -2.06 0.00 0.00 37.83 35.23 1f42 s LYS 135 CO 0.05 0.09 0.24 0.45 0.10 0.00 0.00 175.35 176.29 1f42 s SER 136 N -0.97 -0.01 0.06 0.03 0.15 -1.26 -0.59 113.70 111.11 1f42 s SER 136 Ca -0.04 -0.42 -0.27 0.00 0.70 0.00 0.00 55.95 55.92 1f42 s SER 136 Cb -0.07 0.35 0.09 0.00 -1.71 0.00 0.00 66.02 64.67 1f42 s SER 136 CO 0.00 -0.67 0.90 -0.94 1.20 0.00 0.00 173.24 173.73 1f42 s SER 137 N -2.44 -0.31 -0.32 5.45 1.04 -0.95 -3.75 113.70 112.43 1f42 s SER 137 Ca -0.01 -0.15 -0.12 0.00 0.48 0.00 0.00 55.95 56.15 1f42 s SER 137 Cb 0.01 0.44 -0.03 0.00 0.10 0.00 0.00 66.02 66.55 1f42 s SER 137 CO -0.07 -0.75 0.21 -0.60 0.98 0.00 0.00 173.24 173.01 1f42 s ARG 138 N -3.22 3.60 0.00 4.02 3.52 -1.26 -1.10 118.95 124.50 1f42 s ARG 138 Ca 0.07 -0.56 0.00 0.00 -0.13 0.00 0.00 55.73 55.11 1f42 s ARG 138 Cb -0.01 -3.73 0.00 0.00 -1.56 0.00 0.00 34.95 29.65 1f42 s ARG 138 CO -0.05 -0.37 0.00 0.41 -0.81 0.00 0.00 175.30 174.48 1f42 n GLY 139 N 5.08 1.41 3.45 8.12 0.00 -0.96 -5.01 105.19 117.28 1f42 n GLY 139 Ca -0.13 -0.10 -0.44 0.00 0.00 0.00 0.00 46.02 45.34 1f42 n GLY 139 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1f42 s GLY 145 N -0.08 2.15 -0.03 -0.02 0.00 -1.26 -4.83 107.32 103.25 1f42 s GLY 145 Ca 0.00 -3.03 0.03 0.00 0.00 0.00 0.00 44.72 41.72 1f42 s GLY 145 CO 0.00 2.01 -0.10 0.14 0.00 0.00 0.00 173.10 175.16 1f42 s VAL 146 N 2.16 0.84 -0.16 1.40 1.01 -1.25 -0.86 120.40 123.55 1f42 s VAL 146 Ca 0.37 -0.39 -0.02 0.00 0.00 0.00 0.00 61.98 61.94 1f42 s VAL 146 Cb -0.04 -0.74 -0.02 0.00 0.00 0.00 0.00 36.38 35.58 1f42 s VAL 146 CO -0.06 0.26 -0.08 -0.89 0.00 0.00 0.00 175.10 174.34 1f42 s THR 147 N 0.20 3.46 0.03 3.92 2.01 -0.42 -4.41 115.64 120.42 1f42 s THR 147 Ca -0.03 -0.51 0.08 0.00 0.31 0.00 0.00 61.69 61.53 1f42 s THR 147 Cb -0.09 -2.50 -0.03 0.00 0.01 0.00 0.00 72.50 69.89 1f42 s THR 147 CO 0.01 0.49 -0.21 0.00 -0.69 0.00 0.00 174.62 174.22 1f42 n GLY 149 N 1.76 -0.86 3.82 0.00 0.00 -0.27 -5.00 105.19 104.65 1f42 n GLY 149 Ca -0.16 -1.66 -0.36 0.00 0.00 0.00 0.00 46.02 43.83 1f42 n GLY 149 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1f42 s ALA 150 N -3.94 3.51 -0.05 4.61 0.00 -1.26 -4.77 121.76 119.86 1f42 s ALA 150 Ca 0.00 0.03 -0.30 0.00 0.00 0.00 0.00 51.96 51.70 1f42 s ALA 150 Cb 0.00 -2.68 -0.05 0.00 0.00 0.00 0.00 23.12 20.40 1f42 s ALA 150 CO 0.00 0.39 1.49 0.00 0.00 0.00 0.00 175.76 177.64 1f42 s ALA 151 N -1.42 3.62 0.17 0.00 0.00 -1.26 -4.71 121.76 118.16 1f42 s ALA 151 Ca 0.38 0.83 0.11 0.00 0.00 0.00 0.00 51.96 53.28 1f42 s ALA 151 Cb -0.17 -3.67 -0.04 0.00 0.00 0.00 0.00 23.12 19.24 1f42 s ALA 151 CO 0.20 -1.18 -0.22 -0.08 0.00 0.00 0.00 175.76 174.49 1f42 s THR 152 N 3.31 2.52 -0.30 0.00 -1.32 -0.62 -4.93 115.64 114.31 1f42 s THR 152 Ca 0.66 -1.87 -0.29 0.00 -1.21 0.00 0.00 61.69 58.98 1f42 s THR 152 Cb -0.31 -2.20 0.01 0.00 -1.51 0.00 0.00 72.50 68.50 1f42 s THR 152 CO 0.25 -0.06 1.14 -0.22 -2.21 0.00 0.00 174.62 173.52 1f42 s LEU 153 N -2.54 3.94 -0.00 9.08 2.96 -1.26 -1.14 118.68 129.72 1f42 s LEU 153 Ca 0.20 1.14 0.08 0.00 -0.22 0.00 0.00 54.13 55.33 1f42 s LEU 153 Cb -0.09 -3.54 -0.09 0.00 0.50 0.00 0.00 46.19 42.97 1f42 s LEU 153 CO 0.10 -0.91 0.30 -1.54 -1.32 0.00 0.00 176.35 172.98 1f42 n SER 154 N 6.99 0.86 -3.60 3.68 3.41 0.12 -4.96 113.62 120.12 1f42 n SER 154 Ca 0.13 -0.56 -0.12 0.00 -0.26 0.00 0.00 58.87 58.05 1f42 n SER 154 Cb 0.47 1.06 -0.06 0.00 -0.26 0.00 0.00 64.21 65.42 1f42 n SER 154 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1f42 s ALA 155 N -1.87 -1.88 -0.10 7.33 0.00 -1.02 -5.01 121.76 119.21 1f42 s ALA 155 Ca 0.02 1.73 0.01 0.00 0.00 0.00 0.00 51.96 53.72 1f42 s ALA 155 Cb 0.06 -0.94 0.02 0.00 0.00 0.00 0.00 23.12 22.26 1f42 s ALA 155 CO 0.32 -0.30 -0.12 -2.00 0.00 0.00 0.00 175.76 173.66 1f42 s GLU 156 N -0.33 1.89 0.25 0.00 2.12 -1.26 -0.29 118.70 121.07 1f42 s GLU 156 Ca -0.01 -0.43 0.05 0.00 0.36 0.00 0.00 54.97 54.93 1f42 s GLU 156 Cb -0.03 -1.70 -0.05 0.00 0.26 0.00 0.00 34.13 32.61 1f42 s GLU 156 CO 0.00 -0.12 -0.02 1.03 -0.54 0.00 0.00 175.26 175.61 1f42 s ARG 157 N 1.18 1.43 -0.28 4.30 0.52 0.22 -5.00 118.95 121.32 1f42 s ARG 157 Ca -0.04 -1.73 -0.04 0.00 -0.52 0.00 0.00 55.73 53.40 1f42 s ARG 157 Cb -0.14 -0.82 0.03 0.00 0.52 0.00 0.00 34.95 34.53 1f42 s ARG 157 CO -0.03 -0.06 0.00 0.14 0.02 0.00 0.00 175.30 175.37 1f42 s VAL 158 N -3.27 3.30 -0.52 3.52 -7.23 -1.26 -0.76 120.40 114.17 1f42 s VAL 158 Ca 0.29 -0.99 0.03 0.00 -1.81 0.00 0.00 61.98 59.50 1f42 s VAL 158 Cb 0.05 -2.73 0.13 0.00 0.56 0.00 0.00 36.38 34.39 1f42 s VAL 158 CO 0.10 0.08 0.27 -0.13 -0.31 0.00 0.00 175.10 175.12 1f42 s ARG 159 N 1.37 2.03 7.87 4.82 1.81 -0.96 -4.97 118.95 130.93 1f42 s ARG 159 Ca -0.00 -2.55 0.00 0.00 -1.72 0.00 0.00 55.73 51.46 1f42 s ARG 159 Cb -0.18 -3.38 0.00 0.00 -0.45 0.00 0.00 34.95 30.95 1f42 s ARG 159 CO -0.01 -1.11 0.00 0.41 -0.68 0.00 0.00 175.30 173.91 1f42 n GLY 160 N 3.27 3.11 0.12 -3.53 0.00 -1.26 -2.83 105.19 104.08 1f42 n GLY 160 Ca 0.05 -0.17 -0.19 0.00 0.00 0.00 0.00 46.02 45.71 1f42 n GLY 160 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1f42 h ASP 161 N 0.00 0.48 -3.49 1.61 3.58 -2.03 -3.47 116.42 113.10 1f42 h ASP 161 Ca 0.00 -0.67 -0.46 0.00 0.42 0.00 0.00 57.03 56.33 1f42 h ASP 161 Cb 0.00 -0.16 0.09 0.00 1.72 0.00 0.00 39.33 40.98 1f42 h ASP 161 CO 0.00 1.55 0.22 0.20 -2.88 0.00 0.00 179.24 178.34 1f42 s ASN 162 N -7.11 4.54 0.06 2.28 -0.87 -1.13 -5.11 114.94 107.60 1f42 s ASN 162 Ca -0.11 0.28 0.04 0.00 -1.57 0.00 0.00 52.86 51.51 1f42 s ASN 162 Cb 0.06 -0.82 -0.04 0.00 -0.02 0.00 0.00 41.25 40.43 1f42 s ASN 162 CO 0.86 -1.77 -0.04 -0.75 -2.57 0.00 0.00 177.10 172.83 1f42 s LYS 163 N -5.29 2.48 -0.16 -0.60 2.20 -1.26 -2.26 119.74 114.85 1f42 s LYS 163 Ca 0.63 -0.82 0.01 0.00 -0.36 0.00 0.00 55.97 55.42 1f42 s LYS 163 Cb -0.09 -2.49 0.02 0.00 -1.51 0.00 0.00 37.83 33.76 1f42 s LYS 163 CO 0.45 0.56 -0.17 -2.00 -0.36 0.00 0.00 175.35 173.84 1f42 s GLU 164 N -1.95 2.58 -0.17 4.03 2.12 0.06 -4.44 118.70 120.92 1f42 s GLU 164 Ca 0.22 -0.67 -0.07 0.00 0.36 0.00 0.00 54.97 54.81 1f42 s GLU 164 Cb -0.11 -2.28 -0.04 0.00 0.26 0.00 0.00 34.13 31.95 1f42 s GLU 164 CO 0.13 -0.22 0.06 0.71 -0.54 0.00 0.00 175.26 175.41 1f42 s TYR 165 N 1.38 3.26 -0.20 5.30 1.51 0.17 -0.61 117.35 128.16 1f42 s TYR 165 Ca 0.04 0.09 -0.04 0.00 -1.01 0.00 0.00 57.07 56.16 1f42 s TYR 165 Cb -0.13 -2.06 -0.02 0.00 -0.11 0.00 0.00 41.96 39.65 1f42 s TYR 165 CO -0.11 0.19 -0.04 -2.00 -1.11 0.00 0.00 175.55 172.48 1f42 s GLU 166 N 0.24 3.48 -0.03 -0.62 2.12 0.60 -0.10 118.70 124.39 1f42 s GLU 166 Ca 0.04 -0.59 0.01 0.00 0.36 0.00 0.00 54.97 54.79 1f42 s GLU 166 Cb -0.12 -2.97 -0.03 0.00 0.26 0.00 0.00 34.13 31.26 1f42 s GLU 166 CO 0.00 -0.04 -0.02 0.71 -0.54 0.00 0.00 175.26 175.38 1f42 s TYR 167 N 1.08 3.05 0.03 5.30 2.02 -0.21 -0.70 117.35 127.92 1f42 s TYR 167 Ca 0.01 0.08 0.02 0.00 -0.37 0.00 0.00 57.07 56.81 1f42 s TYR 167 Cb -0.15 -1.69 -0.02 0.00 -0.40 0.00 0.00 41.96 39.70 1f42 s TYR 167 CO 0.00 0.43 -0.06 -1.54 -1.57 0.00 0.00 175.55 172.81 1f42 s SER 168 N -1.28 0.65 0.01 2.29 1.04 -0.30 -1.40 113.70 114.70 1f42 s SER 168 Ca 0.17 -0.48 0.04 0.00 0.48 0.00 0.00 55.95 56.16 1f42 s SER 168 Cb -0.11 0.04 -0.01 0.00 0.10 0.00 0.00 66.02 66.03 1f42 s SER 168 CO 0.07 -0.20 -0.14 0.54 0.98 0.00 0.00 173.24 174.49 1f42 s VAL 169 N -1.24 1.08 -0.15 5.02 0.11 0.08 -1.58 120.40 123.71 1f42 s VAL 169 Ca -0.10 -0.73 -0.02 0.00 -2.93 0.00 0.00 61.98 58.19 1f42 s VAL 169 Cb -0.09 -0.93 -0.02 0.00 -1.53 0.00 0.00 36.38 33.81 1f42 s VAL 169 CO -0.00 0.19 -0.07 -0.70 -3.33 0.00 0.00 175.10 171.18 1f42 s GLU 170 N -0.62 3.54 0.16 1.54 2.12 -1.26 -0.79 118.70 123.38 1f42 s GLU 170 Ca 0.04 -0.59 0.07 0.00 0.36 0.00 0.00 54.97 54.85 1f42 s GLU 170 Cb -0.06 -2.81 -0.04 0.00 0.26 0.00 0.00 34.13 31.47 1f42 s GLU 170 CO 0.00 0.19 -0.16 0.00 -0.54 0.00 0.00 175.26 174.76 1f42 s GLN 172 N -2.96 0.02 0.01 0.00 2.00 -0.11 -0.46 119.66 118.17 1f42 s GLN 172 Ca 0.14 0.18 -0.30 0.00 -2.00 0.00 0.00 55.36 53.38 1f42 s GLN 172 Cb -0.04 -0.14 -0.05 0.00 0.80 0.00 0.00 33.01 33.58 1f42 s GLN 172 CO 0.05 -0.11 1.28 -2.00 -0.50 0.00 0.00 175.29 174.01 1f42 s GLU 173 N 0.72 4.35 0.24 1.67 2.12 0.68 -1.30 118.70 127.18 1f42 s GLU 173 Ca -0.06 1.83 -0.05 0.00 0.36 0.00 0.00 54.97 57.05 1f42 s GLU 173 Cb -0.08 -3.47 0.40 0.00 0.26 0.00 0.00 34.13 31.24 1f42 s GLU 173 CO -0.03 -0.43 1.76 -0.44 -0.54 0.00 0.00 175.26 175.59 1f42 h ASP 174 N 7.31 0.39 -2.11 -1.70 3.32 -1.35 -3.29 116.42 118.99 1f42 h ASP 174 Ca -0.38 0.08 -0.58 0.00 0.02 0.00 0.00 57.03 56.17 1f42 h ASP 174 Cb 1.19 0.03 -0.40 0.00 0.22 0.00 0.00 39.33 40.36 1f42 h ASP 174 CO 0.86 0.19 -0.88 -0.24 -1.72 0.00 0.00 179.24 177.46 1f42 n SER 175 N -4.92 1.74 -4.78 6.45 2.88 -1.26 -5.11 113.62 108.62 1f42 n SER 175 Ca 0.13 -3.02 -0.32 0.00 -1.33 0.00 0.00 58.87 54.34 1f42 n SER 175 Cb 0.34 -0.65 0.07 0.00 -0.75 0.00 0.00 64.21 63.22 1f42 n SER 175 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1f42 s ALA 176 N -1.72 2.39 -0.42 -1.46 0.00 -1.24 -5.04 121.76 114.28 1f42 s ALA 176 Ca 0.37 0.33 0.04 0.00 0.00 0.00 0.00 51.96 52.70 1f42 s ALA 176 Cb 0.16 -3.27 0.17 0.00 0.00 0.00 0.00 23.12 20.17 1f42 s ALA 176 CO -0.07 -1.51 0.44 0.00 0.00 0.00 0.00 175.76 174.62 1f42 n PRO 178 N 3.30 -0.11 0.05 0.00 -0.02 -1.25 -1.83 135.00 135.13 1f42 n PRO 178 Ca 0.21 1.16 0.13 0.00 -2.02 0.00 0.00 63.50 62.98 1f42 n PRO 178 Cb 0.49 -1.73 0.42 0.00 -0.02 0.00 0.00 33.50 32.65 1f42 n PRO 178 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1f42 n ALA 179 N -3.67 2.56 -1.78 3.55 0.00 -1.26 -4.90 120.51 115.00 1f42 n ALA 179 Ca 0.10 -0.13 -0.36 0.00 0.00 0.00 0.00 53.44 53.06 1f42 n ALA 179 Cb 0.34 -1.38 -0.03 0.00 0.00 0.00 0.00 19.45 18.39 1f42 n ALA 179 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1f42 s ALA 180 N -3.07 2.95 0.31 0.00 0.00 -0.76 -5.01 121.76 116.19 1f42 s ALA 180 Ca 0.11 0.73 -0.29 0.00 0.00 0.00 0.00 51.96 52.51 1f42 s ALA 180 Cb 0.15 -3.30 -0.10 0.00 0.00 0.00 0.00 23.12 19.88 1f42 s ALA 180 CO 0.61 -0.39 1.25 -2.00 0.00 0.00 0.00 175.76 175.22 1f42 s GLU 181 N -2.85 4.44 -0.17 0.00 2.12 -1.26 -5.01 118.70 115.97 1f42 s GLU 181 Ca 0.64 2.09 -0.15 0.00 0.36 0.00 0.00 54.97 57.91 1f42 s GLU 181 Cb -0.22 -3.11 -0.04 0.00 0.26 0.00 0.00 34.13 31.02 1f42 s GLU 181 CO 0.26 -0.08 0.36 -1.21 -0.54 0.00 0.00 175.26 174.05 1f42 s GLU 182 N -1.59 4.25 -0.17 4.30 2.02 -1.26 -4.96 118.70 121.29 1f42 s GLU 182 Ca 0.48 0.19 0.10 0.00 0.02 0.00 0.00 54.97 55.76 1f42 s GLU 182 Cb -0.37 -3.46 -0.17 0.00 0.10 0.00 0.00 34.13 30.22 1f42 s GLU 182 CO 0.49 0.13 -0.02 -1.13 0.02 0.00 0.00 175.26 174.75 1f42 n SER 183 N 3.89 1.58 -4.41 -0.19 3.41 -1.26 -4.97 113.62 111.66 1f42 n SER 183 Ca -0.10 -0.03 -0.33 0.00 -0.26 0.00 0.00 58.87 58.15 1f42 n SER 183 Cb 0.52 0.51 -0.14 0.00 -0.26 0.00 0.00 64.21 64.84 1f42 n SER 183 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1f42 s LEU 184 N -5.46 2.66 0.60 1.04 1.43 -1.26 -5.14 118.68 112.56 1f42 s LEU 184 Ca -0.14 -0.28 -0.13 0.00 -1.03 0.00 0.00 54.13 52.55 1f42 s LEU 184 Cb 0.05 -1.56 -0.04 0.00 0.03 0.00 0.00 46.19 44.67 1f42 s LEU 184 CO 0.58 0.26 1.03 -2.16 0.23 0.00 0.00 176.35 176.29 1f42 s PRO 185 N -0.22 3.52 0.28 1.29 0.04 -1.26 -4.68 135.00 133.97 1f42 s PRO 185 Ca 0.00 0.91 -0.25 0.00 0.04 0.00 0.00 61.00 61.71 1f42 s PRO 185 Cb -0.13 -2.07 -0.09 0.00 0.04 0.00 0.00 34.50 32.25 1f42 s PRO 185 CO 0.03 -0.63 0.87 0.42 0.04 0.00 0.00 177.00 177.73 1f42 s ILE 186 N -2.90 4.30 -0.11 0.56 1.01 0.27 -2.26 121.20 122.07 1f42 s ILE 186 Ca 0.58 1.70 0.03 0.00 0.00 0.00 0.00 60.65 62.96 1f42 s ILE 186 Cb -0.12 -4.01 0.01 0.00 0.01 0.00 0.00 42.46 38.35 1f42 s ILE 186 CO 0.46 0.23 -0.19 -0.70 0.00 0.00 0.00 174.94 174.73 1f42 s GLU 187 N -1.87 2.60 -0.12 2.79 2.56 -0.26 -0.79 118.70 123.62 1f42 s GLU 187 Ca 0.46 -0.71 0.00 0.00 0.00 0.00 0.00 54.97 54.72 1f42 s GLU 187 Cb -0.19 -2.10 -0.02 0.00 2.00 0.00 0.00 34.13 33.82 1f42 s GLU 187 CO 0.24 0.02 -0.13 0.08 -0.56 0.00 0.00 175.26 174.91 1f42 s VAL 188 N 0.75 3.11 -0.12 3.70 1.01 0.85 -2.23 120.40 127.48 1f42 s VAL 188 Ca -0.10 -0.65 0.02 0.00 0.00 0.00 0.00 61.98 61.24 1f42 s VAL 188 Cb -0.16 -2.30 0.02 0.00 0.00 0.00 0.00 36.38 33.94 1f42 s VAL 188 CO 0.01 0.53 -0.16 -0.04 0.00 0.00 0.00 175.10 175.45 1f42 s MET 189 N 0.19 2.33 -0.10 2.72 -1.94 0.24 -1.65 119.30 121.08 1f42 s MET 189 Ca -0.07 -0.60 0.03 0.00 -1.71 0.00 0.00 55.69 53.34 1f42 s MET 189 Cb -0.15 -1.99 0.01 0.00 2.01 0.00 0.00 34.83 34.71 1f42 s MET 189 CO 0.05 -0.08 -0.19 0.08 -0.01 0.00 0.00 175.02 174.87 1f42 s VAL 190 N 1.04 1.70 -0.12 -6.03 1.01 0.45 -0.95 120.40 117.50 1f42 s VAL 190 Ca -0.05 -0.79 -0.09 0.00 0.00 0.00 0.00 61.98 61.06 1f42 s VAL 190 Cb -0.15 -1.51 -0.04 0.00 0.00 0.00 0.00 36.38 34.68 1f42 s VAL 190 CO -0.03 0.48 0.18 -1.81 0.00 0.00 0.00 175.10 173.92 1f42 s ASP 191 N 0.70 6.43 -0.13 3.32 1.01 0.59 -0.99 116.67 127.59 1f42 s ASP 191 Ca -0.12 0.51 -0.00 0.00 0.71 0.00 0.00 52.55 53.64 1f42 s ASP 191 Cb -0.16 -2.10 0.03 0.00 1.01 0.00 0.00 42.92 41.69 1f42 s ASP 191 CO 0.03 0.35 -0.08 0.00 0.21 0.00 0.00 175.17 175.67 1f42 s ALA 192 N -0.76 1.46 -0.21 5.23 0.00 -0.00 -1.96 121.76 125.53 1f42 s ALA 192 Ca 0.15 -0.68 0.02 0.00 0.00 0.00 0.00 51.96 51.45 1f42 s ALA 192 Cb -0.13 -0.98 0.03 0.00 0.00 0.00 0.00 23.12 22.04 1f42 s ALA 192 CO 0.04 -0.49 -0.17 0.08 0.00 0.00 0.00 175.76 175.23 1f42 s VAL 193 N 1.65 2.08 -0.26 0.00 1.01 -0.49 -0.39 120.40 124.01 1f42 s VAL 193 Ca 0.04 -1.17 0.03 0.00 0.00 0.00 0.00 61.98 60.87 1f42 s VAL 193 Cb -0.13 -1.99 0.06 0.00 0.00 0.00 0.00 36.38 34.31 1f42 s VAL 193 CO -0.09 0.34 -0.11 -2.28 0.00 0.00 0.00 175.10 172.96 1f42 s HIS 194 N 1.23 3.25 0.00 5.22 5.04 -0.91 -0.76 115.29 128.36 1f42 s HIS 194 Ca 0.00 -2.28 0.00 0.00 -1.54 0.00 0.00 55.06 51.24 1f42 s HIS 194 Cb -0.15 -1.94 0.00 0.00 0.04 0.00 0.00 32.58 30.53 1f42 s HIS 194 CO -0.10 -0.87 0.00 1.63 -2.34 0.00 0.00 174.74 173.05 1f42 n LYS 195 N 4.45 0.00 -0.01 2.88 5.02 -0.55 -1.04 118.16 128.90 1f42 n LYS 195 Ca -0.14 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.15 1f42 n LYS 195 Cb 0.42 0.00 0.01 0.00 -0.02 0.00 0.00 35.03 35.44 1f42 n LYS 195 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1f42 n LEU 196 N 0.00 1.40 -4.63 -0.35 4.32 -1.26 -5.00 117.00 111.48 1f42 n LEU 196 Ca 0.00 -1.46 -0.38 0.00 -0.02 0.00 0.00 56.01 54.15 1f42 n LEU 196 Cb 0.00 -0.02 -0.09 0.00 -1.62 0.00 0.00 43.42 41.69 1f42 n LEU 196 CO 0.00 0.36 -0.03 -0.75 -1.22 0.00 0.00 177.39 175.76 1f42 s LYS 197 N -0.78 4.06 -0.18 3.23 2.20 -0.21 -1.37 119.74 126.69 1f42 s LYS 197 Ca 0.02 -0.06 -0.08 0.00 -0.36 0.00 0.00 55.97 55.49 1f42 s LYS 197 Cb 0.01 -3.60 -0.04 0.00 -1.51 0.00 0.00 37.83 32.69 1f42 s LYS 197 CO 0.00 -0.12 0.10 -0.47 -0.36 0.00 0.00 175.35 174.50 1f42 s TYR 198 N 1.59 3.36 0.08 4.03 5.04 0.15 -2.13 117.35 129.46 1f42 s TYR 198 Ca 0.13 0.25 0.03 0.00 -2.44 0.00 0.00 57.07 55.03 1f42 s TYR 198 Cb -0.15 -2.08 -0.03 0.00 0.35 0.00 0.00 41.96 40.05 1f42 s TYR 198 CO 0.08 0.31 -0.09 -1.21 -1.34 0.00 0.00 175.55 173.31 1f42 s GLU 199 N 0.09 0.73 -0.09 4.97 2.02 0.47 -4.34 118.70 122.55 1f42 s GLU 199 Ca 0.07 -1.05 0.04 0.00 0.02 0.00 0.00 54.97 54.06 1f42 s GLU 199 Cb -0.12 -0.38 -0.00 0.00 0.10 0.00 0.00 34.13 33.73 1f42 s GLU 199 CO -0.00 0.05 -0.24 1.21 0.02 0.00 0.00 175.26 176.30 1f42 s ASN 200 N -2.24 3.04 0.01 -0.19 3.84 -1.26 -0.82 114.94 117.32 1f42 s ASN 200 Ca 0.01 -0.54 0.02 0.00 0.21 0.00 0.00 52.86 52.55 1f42 s ASN 200 Cb -0.04 -1.28 -0.01 0.00 -0.55 0.00 0.00 41.25 39.37 1f42 s ASN 200 CO -0.01 0.17 -0.06 -0.31 -2.79 0.00 0.00 177.10 174.11 1f42 s TYR 201 N 0.26 0.50 0.04 0.43 2.02 -0.16 -5.02 117.35 115.41 1f42 s TYR 201 Ca -0.16 -0.26 -0.05 0.00 -0.37 0.00 0.00 57.07 56.23 1f42 s TYR 201 Cb -0.17 -0.31 -0.01 0.00 -0.40 0.00 0.00 41.96 41.06 1f42 s TYR 201 CO 0.08 -0.05 0.08 -0.08 -1.57 0.00 0.00 175.55 174.01 1f42 s THR 202 N -0.66 0.14 -0.18 -0.71 -1.32 -1.26 -0.41 115.64 111.23 1f42 s THR 202 Ca -0.04 -1.12 -0.13 0.00 -1.21 0.00 0.00 61.69 59.19 1f42 s THR 202 Cb -0.05 -0.89 0.05 0.00 -1.51 0.00 0.00 72.50 70.10 1f42 s THR 202 CO -0.00 -0.62 0.45 -0.55 -2.21 0.00 0.00 174.62 171.69 1f42 s SER 203 N -2.13 -0.52 -0.08 8.08 0.15 -0.66 -4.79 113.70 113.75 1f42 s SER 203 Ca -0.05 0.95 0.05 0.00 0.70 0.00 0.00 55.95 57.59 1f42 s SER 203 Cb -0.01 0.90 -0.00 0.00 -1.71 0.00 0.00 66.02 65.20 1f42 s SER 203 CO -0.05 -0.18 -0.22 -0.55 1.20 0.00 0.00 173.24 173.44 1f42 s SER 204 N 0.75 2.83 0.05 5.45 0.15 -1.26 -0.10 113.70 121.57 1f42 s SER 204 Ca -0.04 -0.49 -0.27 0.00 0.70 0.00 0.00 55.95 55.85 1f42 s SER 204 Cb -0.05 -1.06 0.09 0.00 -1.71 0.00 0.00 66.02 63.29 1f42 s SER 204 CO -0.06 0.17 0.86 0.72 1.20 0.00 0.00 173.24 176.14 1f42 s PHE 205 N 0.17 -0.33 -0.00 3.44 -0.12 0.03 -4.98 117.98 116.19 1f42 s PHE 205 Ca -0.11 0.15 -0.02 0.00 -0.05 0.00 0.00 56.93 56.90 1f42 s PHE 205 Cb -0.16 0.56 -0.04 0.00 -0.63 0.00 0.00 43.02 42.76 1f42 s PHE 205 CO 0.06 -0.65 0.14 -0.06 -0.05 0.00 0.00 175.22 174.66 1f42 s PHE 206 N -3.24 3.44 0.21 3.49 0.40 -1.26 0.97 117.98 121.99 1f42 s PHE 206 Ca 0.06 0.29 -0.10 0.00 -0.60 0.00 0.00 56.93 56.58 1f42 s PHE 206 Cb -0.01 -1.79 0.30 0.00 0.51 0.00 0.00 43.02 42.03 1f42 s PHE 206 CO -0.07 0.61 1.70 0.82 0.70 0.00 0.00 175.22 178.97 1f42 h ILE 207 N 2.95 0.61 -1.07 0.64 1.08 -1.96 -1.67 117.51 118.08 1f42 h ILE 207 Ca -0.49 -0.08 0.30 0.00 -0.39 0.00 0.00 64.86 64.20 1f42 h ILE 207 Cb 1.18 0.36 -0.06 0.00 -3.07 0.00 0.00 36.82 35.23 1f42 h ILE 207 CO 0.66 0.04 0.75 0.08 -0.69 0.00 0.00 178.15 179.00 1f42 h ARG 208 N 0.23 0.11 0.03 2.37 0.11 -1.94 -1.55 114.38 113.75 1f42 h ARG 208 Ca 0.32 -0.01 -0.25 0.00 0.10 0.00 0.00 59.98 60.14 1f42 h ARG 208 Cb 0.49 -0.03 -0.03 0.00 1.11 0.00 0.00 29.97 31.52 1f42 h ARG 208 CO -0.43 0.08 -1.29 -0.44 0.10 0.00 0.00 179.97 177.98 1f42 h ASP 209 N 0.12 0.11 -0.14 0.08 3.32 -1.71 -3.32 116.42 114.87 1f42 h ASP 209 Ca 0.54 -0.14 0.00 0.00 0.02 0.00 0.00 57.03 57.45 1f42 h ASP 209 Cb 1.91 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 41.42 1f42 h ASP 209 CO -0.09 1.12 0.00 2.30 -1.72 0.00 0.00 179.24 180.85 1f42 n ILE 210 N -3.31 0.18 -2.18 0.35 -5.35 -0.61 -4.62 119.36 103.82 1f42 n ILE 210 Ca -0.08 -0.34 -0.41 0.00 -0.27 0.00 0.00 62.75 61.65 1f42 n ILE 210 Cb 0.99 0.40 -0.03 0.00 -1.74 0.00 0.00 39.64 39.27 1f42 n ILE 210 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 1f42 s ILE 211 N -1.82 3.16 -0.28 7.28 1.01 -1.05 -1.94 121.20 127.56 1f42 s ILE 211 Ca 0.33 0.93 0.00 0.00 0.00 0.00 0.00 60.65 61.91 1f42 s ILE 211 Cb 0.18 -3.59 0.15 0.00 0.01 0.00 0.00 42.46 39.20 1f42 s ILE 211 CO 0.27 0.13 0.36 -0.75 0.00 0.00 0.00 174.94 174.95 1f42 s LYS 212 N 0.10 0.36 0.82 2.79 2.20 -0.57 -2.15 119.74 123.30 1f42 s LYS 212 Ca 0.59 0.11 -0.11 0.00 -0.36 0.00 0.00 55.97 56.20 1f42 s LYS 212 Cb -0.37 -0.49 0.09 0.00 -1.51 0.00 0.00 37.83 35.55 1f42 s LYS 212 CO 0.37 -0.95 1.10 -1.25 -0.36 0.00 0.00 175.35 174.26 1f42 s PRO 213 N 2.47 1.82 0.77 4.03 0.04 -1.26 -4.34 135.00 138.53 1f42 s PRO 213 Ca 0.10 1.20 -0.11 0.00 0.04 0.00 0.00 61.00 62.23 1f42 s PRO 213 Cb -0.14 -1.84 0.06 0.00 0.04 0.00 0.00 34.50 32.62 1f42 s PRO 213 CO -0.28 -1.96 1.10 -0.51 0.04 0.00 0.00 177.00 175.39 1f42 s ASP 214 N -3.23 4.42 0.91 6.66 1.01 -1.26 -4.28 116.67 120.90 1f42 s ASP 214 Ca 0.63 1.89 -0.11 0.00 0.71 0.00 0.00 52.55 55.67 1f42 s ASP 214 Cb -0.19 -2.53 0.14 0.00 1.01 0.00 0.00 42.92 41.35 1f42 s ASP 214 CO 0.57 -2.09 1.11 -2.84 0.21 0.00 0.00 175.17 172.12 1f42 s PRO 215 N -4.77 1.09 0.43 8.23 0.02 -1.26 -4.70 135.00 134.04 1f42 s PRO 215 Ca 0.63 1.28 -0.26 0.00 0.02 0.00 0.00 61.00 62.67 1f42 s PRO 215 Cb -0.18 -1.76 -0.09 0.00 0.02 0.00 0.00 34.50 32.49 1f42 s PRO 215 CO 0.54 -2.49 1.44 -2.14 -0.33 0.00 0.00 177.00 174.03 1f42 s PRO 216 N -4.72 3.82 0.52 5.54 0.02 -1.26 -4.31 135.00 134.61 1f42 s PRO 216 Ca 0.65 2.46 0.08 0.00 0.02 0.00 0.00 61.00 64.22 1f42 s PRO 216 Cb -0.21 -2.75 0.05 0.00 0.02 0.00 0.00 34.50 31.60 1f42 s PRO 216 CO 0.58 -0.73 0.59 -1.59 -0.33 0.00 0.00 177.00 175.53 1f42 s LYS 217 N -2.34 2.40 -1.56 5.54 -2.85 -0.55 -4.74 119.74 115.65 1f42 s LYS 217 Ca 0.58 -1.67 -0.02 0.00 -1.00 0.00 0.00 55.97 53.86 1f42 s LYS 217 Cb -0.45 -2.48 0.02 0.00 -2.06 0.00 0.00 37.83 32.87 1f42 s LYS 217 CO 0.58 -0.61 0.13 0.09 0.10 0.00 0.00 175.35 175.64 1f42 n ASN 218 N -1.95 0.45 -4.72 0.03 3.02 -1.26 -1.28 115.26 109.55 1f42 n ASN 218 Ca 0.08 -1.23 -0.42 0.00 -0.03 0.00 0.00 54.58 52.98 1f42 n ASN 218 Cb 0.62 -1.83 -0.03 0.00 -0.61 0.00 0.00 39.78 37.93 1f42 n ASN 218 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1f42 s LEU 219 N -7.31 4.37 0.09 3.41 2.96 -1.26 -4.41 118.68 116.52 1f42 s LEU 219 Ca 0.09 2.51 0.05 0.00 -0.22 0.00 0.00 54.13 56.55 1f42 s LEU 219 Cb -0.05 -3.59 -0.03 0.00 0.50 0.00 0.00 46.19 43.02 1f42 s LEU 219 CO 0.98 -0.76 -0.14 -1.10 -1.32 0.00 0.00 176.35 174.02 1f42 s GLN 220 N 1.10 0.87 -0.13 1.98 -0.21 -0.29 -4.99 119.66 117.99 1f42 s GLN 220 Ca 0.68 -1.04 -0.00 0.00 0.02 0.00 0.00 55.36 55.01 1f42 s GLN 220 Cb -0.41 -0.83 0.03 0.00 1.00 0.00 0.00 33.01 32.80 1f42 s GLN 220 CO 0.31 0.17 -0.09 -1.17 -2.12 0.00 0.00 175.29 172.39 1f42 s LEU 221 N -1.97 1.39 -0.30 2.90 0.20 -1.26 -2.03 118.68 117.62 1f42 s LEU 221 Ca 0.01 -0.41 0.03 0.00 0.69 0.00 0.00 54.13 54.45 1f42 s LEU 221 Cb -0.08 -0.94 0.08 0.00 -0.43 0.00 0.00 46.19 44.82 1f42 s LEU 221 CO 0.02 -0.11 -0.01 -0.75 -0.29 0.00 0.00 176.35 175.21 1f42 s LYS 222 N 1.64 1.69 0.61 1.98 2.20 0.11 -4.98 119.74 122.99 1f42 s LYS 222 Ca 0.04 -1.54 -0.18 0.00 -0.36 0.00 0.00 55.97 53.93 1f42 s LYS 222 Cb -0.13 -2.94 -0.03 0.00 -1.51 0.00 0.00 37.83 33.22 1f42 s LYS 222 CO -0.09 -0.78 1.18 -1.25 -0.36 0.00 0.00 175.35 174.05 1f42 s PRO 223 N 1.08 2.92 -0.09 4.03 0.04 -1.26 -1.09 135.00 140.62 1f42 s PRO 223 Ca 0.02 1.72 0.01 0.00 0.04 0.00 0.00 61.00 62.79 1f42 s PRO 223 Cb -0.19 -1.94 -0.02 0.00 0.04 0.00 0.00 34.50 32.39 1f42 s PRO 223 CO -0.08 -1.22 -0.11 -0.51 0.04 0.00 0.00 177.00 175.12 1f42 s LEU 224 N -4.26 2.88 0.24 -3.56 1.43 -1.23 -4.86 118.68 109.32 1f42 s LEU 224 Ca 0.75 -0.19 -0.30 0.00 -1.03 0.00 0.00 54.13 53.35 1f42 s LEU 224 Cb -0.28 -1.63 -0.10 0.00 0.03 0.00 0.00 46.19 44.22 1f42 s LEU 224 CO 0.34 0.27 1.39 -1.59 0.23 0.00 0.00 176.35 177.00 1f42 s LYS 225 N -0.26 4.31 -1.47 1.70 0.00 -1.26 -3.11 119.74 119.65 1f42 s LYS 225 Ca 0.02 2.22 -0.08 0.00 0.00 0.00 0.00 55.97 58.14 1f42 s LYS 225 Cb -0.13 -3.13 0.03 0.00 0.00 0.00 0.00 37.83 34.60 1f42 s LYS 225 CO 0.03 -0.36 0.82 0.09 0.00 0.00 0.00 175.35 175.93 1f42 n ASN 226 N 2.32 -5.76 -3.92 0.03 5.03 -1.26 -4.96 115.26 106.74 1f42 n ASN 226 Ca 0.06 -0.44 -0.10 0.00 0.87 0.00 0.00 54.58 54.97 1f42 n ASN 226 Cb 0.41 -4.62 -0.10 0.00 -1.02 0.00 0.00 39.78 34.46 1f42 n ASN 226 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 1f42 s SER 227 N -2.96 0.15 0.17 6.41 0.15 -1.18 -5.02 113.70 111.42 1f42 s SER 227 Ca 0.45 -0.46 0.23 0.00 0.70 0.00 0.00 55.95 56.87 1f42 s SER 227 Cb -0.21 0.21 -0.00 0.00 -1.71 0.00 0.00 66.02 64.31 1f42 s SER 227 CO 0.55 -0.46 1.02 -1.14 1.20 0.00 0.00 173.24 174.41 1f42 n ARG 228 N 1.00 0.58 -2.86 5.44 0.63 -1.26 -4.77 116.66 115.41 1f42 n ARG 228 Ca -0.20 0.09 -0.29 0.00 -0.92 0.00 0.00 57.85 56.53 1f42 n ARG 228 Cb 0.57 -1.79 -0.02 0.00 0.45 0.00 0.00 32.46 31.68 1f42 n ARG 228 CO 0.00 0.00 0.00 -0.65 -2.51 0.00 0.00 177.63 174.47 1f42 s GLN 229 N -3.36 3.67 0.24 -0.14 -0.21 -1.26 -4.27 119.66 114.33 1f42 s GLN 229 Ca -0.00 0.29 0.10 0.00 0.02 0.00 0.00 55.36 55.77 1f42 s GLN 229 Cb 0.10 -2.43 -0.05 0.00 1.00 0.00 0.00 33.01 31.64 1f42 s GLN 229 CO 0.80 -0.05 -0.18 0.14 -2.12 0.00 0.00 175.29 173.88 1f42 s VAL 230 N -2.46 2.13 -0.22 1.09 -7.23 0.78 -3.57 120.40 110.92 1f42 s VAL 230 Ca 0.49 -2.30 -0.05 0.00 -1.81 0.00 0.00 61.98 58.30 1f42 s VAL 230 Cb -0.10 -2.17 -0.02 0.00 0.56 0.00 0.00 36.38 34.64 1f42 s VAL 230 CO 0.36 -0.48 0.01 -0.70 -0.31 0.00 0.00 175.10 173.98 1f42 s GLU 231 N -3.53 3.58 -0.03 4.82 2.12 -0.25 -1.42 118.70 123.98 1f42 s GLU 231 Ca 0.26 -0.53 -0.01 0.00 0.36 0.00 0.00 54.97 55.05 1f42 s GLU 231 Cb -0.03 -3.13 -0.04 0.00 0.26 0.00 0.00 34.13 31.19 1f42 s GLU 231 CO 0.11 -0.09 0.06 0.14 -0.54 0.00 0.00 175.26 174.94 1f42 s VAL 232 N 1.27 4.63 0.04 3.70 -7.23 -0.33 -0.71 120.40 121.77 1f42 s VAL 232 Ca 0.04 -0.34 -0.04 0.00 -1.81 0.00 0.00 61.98 59.83 1f42 s VAL 232 Cb -0.15 -3.06 -0.02 0.00 0.56 0.00 0.00 36.38 33.72 1f42 s VAL 232 CO 0.01 0.44 0.07 -0.94 -0.31 0.00 0.00 175.10 174.37 1f42 s SER 233 N -1.44 0.24 0.35 4.85 1.04 -0.86 -1.24 113.70 116.64 1f42 s SER 233 Ca 0.19 -0.64 -0.10 0.00 0.48 0.00 0.00 55.95 55.88 1f42 s SER 233 Cb -0.12 0.22 0.04 0.00 0.10 0.00 0.00 66.02 66.27 1f42 s SER 233 CO 0.10 -0.54 0.63 -2.67 0.98 0.00 0.00 173.24 171.74 1f42 n TRP 234 N 0.60 -1.97 -4.22 5.02 2.14 -0.17 -1.14 117.44 117.70 1f42 n TRP 234 Ca -0.18 -1.83 -0.13 0.00 2.07 0.00 0.00 57.50 57.43 1f42 n TRP 234 Cb 0.59 0.74 -0.10 0.00 -0.81 0.00 0.00 31.31 31.73 1f42 n TRP 234 CO 0.00 0.00 0.00 -1.21 2.07 0.00 0.00 177.69 178.55 1f42 s GLU 235 N -2.29 0.97 0.50 -2.67 2.02 -0.40 -4.79 118.70 112.04 1f42 s GLU 235 Ca 0.18 -1.41 -0.23 0.00 0.02 0.00 0.00 54.97 53.53 1f42 s GLU 235 Cb -0.03 -0.42 -0.06 0.00 0.10 0.00 0.00 34.13 33.71 1f42 s GLU 235 CO 0.13 0.02 1.38 0.71 0.02 0.00 0.00 175.26 177.53 1f42 s TYR 236 N -3.48 2.37 0.69 1.61 1.51 -1.26 -1.48 117.35 117.31 1f42 s TYR 236 Ca 0.15 1.33 -0.13 0.00 -1.01 0.00 0.00 57.07 57.41 1f42 s TYR 236 Cb 0.04 -3.84 0.01 0.00 -0.11 0.00 0.00 41.96 38.06 1f42 s TYR 236 CO -0.02 -2.88 1.09 -1.25 -1.11 0.00 0.00 175.55 171.38 1f42 s PRO 237 N -2.71 2.75 0.29 -1.71 0.04 -1.26 -4.52 135.00 127.88 1f42 s PRO 237 Ca 0.67 1.23 -0.01 0.00 0.04 0.00 0.00 61.00 62.93 1f42 s PRO 237 Cb -0.41 -1.96 0.42 0.00 0.04 0.00 0.00 34.50 32.60 1f42 s PRO 237 CO 0.51 -1.27 1.87 -0.44 0.04 0.00 0.00 177.00 177.72 1f42 h ASP 238 N -0.34 0.82 0.87 6.66 3.32 -1.93 -2.72 116.42 123.10 1f42 h ASP 238 Ca -0.45 -0.10 0.00 0.00 0.02 0.00 0.00 57.03 56.49 1f42 h ASP 238 Cb 1.23 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 40.57 1f42 h ASP 238 CO 0.54 0.73 0.00 0.35 -1.72 0.00 0.00 179.24 179.14 1f42 n THR 239 N -4.32 0.29 -1.66 0.35 -2.24 -1.26 -4.84 114.28 100.59 1f42 n THR 239 Ca 0.05 0.06 -0.33 0.00 -2.27 0.00 0.00 64.05 61.57 1f42 n THR 239 Cb 0.16 -0.64 0.06 0.00 -2.10 0.00 0.00 70.33 67.81 1f42 n THR 239 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 1f42 s TRP 240 N -3.00 2.52 0.29 4.78 -0.11 -1.03 -4.52 118.94 117.87 1f42 s TRP 240 Ca 0.12 1.56 -0.29 0.00 1.22 0.00 0.00 56.10 58.71 1f42 s TRP 240 Cb 0.16 -3.21 -0.10 0.00 -1.50 0.00 0.00 33.47 28.82 1f42 s TRP 240 CO 0.46 -1.85 1.41 -1.12 -4.62 0.00 0.00 176.95 171.23 1f42 s SER 241 N -2.55 6.64 -0.07 5.86 0.01 -1.26 -5.02 113.70 117.31 1f42 s SER 241 Ca 0.68 2.74 -0.03 0.00 1.31 0.00 0.00 55.95 60.64 1f42 s SER 241 Cb -0.22 -2.64 -0.04 0.00 0.21 0.00 0.00 66.02 63.34 1f42 s SER 241 CO 0.43 -0.68 0.07 0.42 0.41 0.00 0.00 173.24 173.89 1f42 s THR 242 N -0.52 4.79 0.38 1.44 -4.23 -1.26 -4.06 115.64 112.17 1f42 s THR 242 Ca 0.55 -0.17 -0.07 0.00 -1.18 0.00 0.00 61.69 60.81 1f42 s THR 242 Cb -0.42 -3.09 -0.05 0.00 1.34 0.00 0.00 72.50 70.27 1f42 s THR 242 CO 0.49 0.52 0.69 -2.16 -0.54 0.00 0.00 174.62 173.63 1f42 s PRO 243 N -1.21 3.69 0.53 3.99 0.04 -1.26 -4.88 135.00 135.88 1f42 s PRO 243 Ca 0.17 0.25 0.20 0.00 0.04 0.00 0.00 61.00 61.66 1f42 s PRO 243 Cb -0.12 -2.48 1.38 0.00 0.04 0.00 0.00 34.50 33.32 1f42 s PRO 243 CO 0.07 0.03 2.14 0.45 0.04 0.00 0.00 177.00 179.73 1f42 h HIS 244 N 1.23 0.00 -0.65 0.56 3.86 -1.76 -0.89 115.15 117.50 1f42 h HIS 244 Ca -0.47 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 58.73 1f42 h HIS 244 Cb 1.19 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 29.63 1f42 h HIS 244 CO 0.59 0.04 0.37 0.66 0.86 0.00 0.00 177.93 180.45 1f42 h SER 245 N 0.00 0.79 0.00 2.45 4.64 -1.97 -2.41 113.55 117.04 1f42 h SER 245 Ca -0.00 -0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 1f42 h SER 245 Cb 0.08 -0.20 0.00 0.00 -0.31 0.00 0.00 62.40 61.97 1f42 h SER 245 CO 0.01 0.62 -0.43 0.22 -0.87 0.00 0.00 176.83 176.38 1f42 h TYR 246 N 0.90 0.00 -1.83 4.77 5.03 -1.89 -3.41 116.97 120.54 1f42 h TYR 246 Ca 0.23 0.00 -0.73 0.00 2.58 0.00 0.00 58.73 60.81 1f42 h TYR 246 Cb -0.01 0.00 -0.16 0.00 1.55 0.00 0.00 36.73 38.12 1f42 h TYR 246 CO 0.00 0.00 1.60 1.19 -1.32 0.00 0.00 178.16 179.64 1f42 n PHE 247 N -4.61 4.71 -2.76 -3.82 3.72 -0.37 -5.02 117.46 109.32 1f42 n PHE 247 Ca -0.06 -3.21 -0.24 0.00 -0.05 0.00 0.00 57.45 53.89 1f42 n PHE 247 Cb 0.22 -2.25 0.02 0.00 -0.94 0.00 0.00 39.48 36.53 1f42 n PHE 247 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 1f42 s SER 248 N 2.90 5.68 0.26 4.37 1.04 -0.91 -4.36 113.70 122.67 1f42 s SER 248 Ca 0.45 0.38 0.11 0.00 0.48 0.00 0.00 55.95 57.36 1f42 s SER 248 Cb -0.00 -1.50 -0.05 0.00 0.10 0.00 0.00 66.02 64.58 1f42 s SER 248 CO 0.01 -0.88 -0.15 -0.76 0.98 0.00 0.00 173.24 172.45 1f42 s LEU 249 N -4.72 2.75 0.17 2.42 1.43 -1.26 -1.69 118.68 117.79 1f42 s LEU 249 Ca 0.51 -0.89 0.09 0.00 -1.03 0.00 0.00 54.13 52.82 1f42 s LEU 249 Cb -0.10 -1.30 -0.04 0.00 0.03 0.00 0.00 46.19 44.78 1f42 s LEU 249 CO 0.40 0.04 -0.20 0.28 0.23 0.00 0.00 176.35 177.11 1f42 s THR 250 N -2.32 1.95 0.11 5.49 -1.32 0.14 -4.59 115.64 115.10 1f42 s THR 250 Ca 0.29 -1.95 0.06 0.00 -1.21 0.00 0.00 61.69 58.87 1f42 s THR 250 Cb -0.06 -1.91 -0.04 0.00 -1.51 0.00 0.00 72.50 68.98 1f42 s THR 250 CO 0.16 -0.27 -0.14 -0.36 -2.21 0.00 0.00 174.62 171.80 1f42 s PHE 251 N -1.97 1.35 -0.10 9.09 0.08 0.16 -1.64 117.98 124.95 1f42 s PHE 251 Ca 0.17 -0.55 0.02 0.00 0.12 0.00 0.00 56.93 56.69 1f42 s PHE 251 Cb -0.06 -0.71 0.01 0.00 -0.57 0.00 0.00 43.02 41.69 1f42 s PHE 251 CO 0.08 0.12 -0.16 0.00 -0.10 0.00 0.00 175.22 175.15 1f42 s VAL 253 N 0.82 4.50 -0.01 0.00 1.01 0.76 -1.99 120.40 125.48 1f42 s VAL 253 Ca -0.10 -0.15 -0.02 0.00 0.00 0.00 0.00 61.98 61.71 1f42 s VAL 253 Cb -0.16 -2.98 -0.00 0.00 0.00 0.00 0.00 36.38 33.25 1f42 s VAL 253 CO 0.01 0.52 0.04 -1.58 0.00 0.00 0.00 175.10 174.09 1f42 s GLN 254 N -0.06 0.16 -0.45 2.72 0.74 0.07 -0.90 119.66 121.95 1f42 s GLN 254 Ca 0.05 -0.13 -0.14 0.00 0.05 0.00 0.00 55.36 55.19 1f42 s GLN 254 Cb -0.12 0.07 0.07 0.00 1.10 0.00 0.00 33.01 34.12 1f42 s GLN 254 CO 0.02 -0.03 0.34 0.08 -0.55 0.00 0.00 175.29 175.15 1f42 s VAL 255 N -0.45 4.95 -0.56 1.34 1.01 -1.26 0.51 120.40 125.94 1f42 s VAL 255 Ca -0.05 -1.09 -0.22 0.00 0.00 0.00 0.00 61.98 60.62 1f42 s VAL 255 Cb -0.03 -3.94 0.05 0.00 0.00 0.00 0.00 36.38 32.46 1f42 s VAL 255 CO -0.00 -0.51 0.83 -1.10 0.00 0.00 0.00 175.10 174.32 1f42 s GLN 256 N 1.59 3.21 0.00 2.72 -0.21 0.14 -4.88 119.66 122.23 1f42 s GLN 256 Ca 0.04 -0.61 0.00 0.00 0.02 0.00 0.00 55.36 54.80 1f42 s GLN 256 Cb -0.23 -4.11 0.00 0.00 1.00 0.00 0.00 33.01 29.67 1f42 s GLN 256 CO 0.06 -1.46 0.00 0.41 -2.12 0.00 0.00 175.29 172.17 1f42 n GLY 257 N 5.18 1.85 0.10 3.09 0.00 -1.26 -0.36 105.19 113.79 1f42 n GLY 257 Ca -0.02 -1.92 -0.15 0.00 0.00 0.00 0.00 46.02 43.92 1f42 n GLY 257 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1f42 h LYS 258 N 0.00 0.24 -7.09 1.61 1.57 -1.91 -3.46 116.57 107.53 1f42 h LYS 258 Ca 0.00 -0.41 -0.50 0.00 -1.87 0.00 0.00 60.65 57.86 1f42 h LYS 258 Cb 0.00 0.15 0.08 0.00 0.08 0.00 0.00 32.23 32.54 1f42 h LYS 258 CO 0.00 1.17 0.43 0.45 -0.57 0.00 0.00 179.45 180.94 1f42 s SER 259 N -7.06 5.67 -0.02 0.86 0.15 -1.26 -4.97 113.70 107.06 1f42 s SER 259 Ca -0.05 2.19 0.03 0.00 0.70 0.00 0.00 55.95 58.83 1f42 s SER 259 Cb 0.07 -2.58 0.05 0.00 -1.71 0.00 0.00 66.02 61.85 1f42 s SER 259 CO 0.87 -1.26 0.86 0.29 1.20 0.00 0.00 173.24 175.21 1f42 n LYS 260 N -1.34 0.57 0.19 5.44 5.02 -1.26 -5.06 118.16 121.72 1f42 n LYS 260 Ca 0.12 -1.15 0.08 0.00 -2.02 0.00 0.00 58.31 55.34 1f42 n LYS 260 Cb 0.51 -0.72 0.19 0.00 -0.02 0.00 0.00 35.03 34.99 1f42 n LYS 260 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1f42 h ARG 261 N 0.00 0.00 0.00 1.97 3.08 -2.01 -3.54 114.38 113.88 1f42 h ARG 261 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1f42 h ARG 261 Cb 1.10 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.15 1f42 h ARG 261 CO 0.00 0.25 0.00 0.54 -1.07 0.00 0.00 179.97 179.69 1f42 n ARG 266 N -3.21 0.00 -4.90 0.04 1.74 -1.26 -5.24 116.66 103.83 1f42 n ARG 266 Ca 0.02 0.00 -0.28 0.00 -0.77 0.00 0.00 57.85 56.82 1f42 n ARG 266 Cb 0.58 0.00 -0.17 0.00 -1.02 0.00 0.00 32.46 31.86 1f42 n ARG 266 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1f42 s VAL 267 N 0.00 1.59 -0.14 1.55 1.01 -0.08 -4.99 120.40 119.34 1f42 s VAL 267 Ca 0.00 -0.75 -0.05 0.00 0.00 0.00 0.00 61.98 61.18 1f42 s VAL 267 Cb 0.00 -1.40 -0.04 0.00 0.00 0.00 0.00 36.38 34.94 1f42 s VAL 267 CO 0.00 0.46 0.04 -0.36 0.00 0.00 0.00 175.10 175.23 1f42 s PHE 268 N 0.46 3.23 -0.08 5.22 0.08 -1.26 -0.17 117.98 125.46 1f42 s PHE 268 Ca -0.16 0.10 -0.24 0.00 0.12 0.00 0.00 56.93 56.75 1f42 s PHE 268 Cb -0.17 -1.96 0.05 0.00 -0.57 0.00 0.00 43.02 40.37 1f42 s PHE 268 CO 0.06 0.28 0.55 -0.08 -0.10 0.00 0.00 175.22 175.92 1f42 s THR 269 N -0.13 0.02 -1.29 0.64 -1.32 -0.02 -5.01 115.64 108.53 1f42 s THR 269 Ca 0.06 -0.14 0.25 0.00 -1.21 0.00 0.00 61.69 60.65 1f42 s THR 269 Cb -0.12 -0.84 0.05 0.00 -1.51 0.00 0.00 72.50 70.08 1f42 s THR 269 CO 0.02 -0.08 1.37 0.47 -2.21 0.00 0.00 174.62 174.18 1f42 n ASP 270 N 1.48 0.83 -4.89 8.08 8.00 -1.26 0.41 116.55 129.18 1f42 n ASP 270 Ca -0.18 -0.63 -0.29 0.00 0.71 0.00 0.00 54.79 54.40 1f42 n ASP 270 Cb 0.56 0.34 0.06 0.00 -0.02 0.00 0.00 41.12 42.06 1f42 n ASP 270 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1f42 s LYS 271 N -2.82 2.56 -0.07 -1.24 1.02 -1.26 -4.83 119.74 113.10 1f42 s LYS 271 Ca 0.15 0.29 0.15 0.00 0.02 0.00 0.00 55.97 56.58 1f42 s LYS 271 Cb 0.18 -2.02 0.54 0.00 -0.52 0.00 0.00 37.83 36.01 1f42 s LYS 271 CO 0.66 -1.19 1.43 0.25 -0.92 0.00 0.00 175.35 175.58 1f42 n THR 272 N -3.07 1.26 -3.92 2.17 -2.24 -1.26 -4.82 114.28 102.39 1f42 n THR 272 Ca 0.07 -0.87 -0.09 0.00 -2.27 0.00 0.00 64.05 60.89 1f42 n THR 272 Cb 0.58 0.11 -0.07 0.00 -2.10 0.00 0.00 70.33 68.85 1f42 n THR 272 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1f42 s SER 273 N -0.85 0.11 0.00 3.42 1.04 -1.26 -1.00 113.70 115.16 1f42 s SER 273 Ca 0.39 -0.78 -0.29 0.00 0.48 0.00 0.00 55.95 55.75 1f42 s SER 273 Cb 0.24 0.37 0.07 0.00 0.10 0.00 0.00 66.02 66.81 1f42 s SER 273 CO 0.20 -0.79 0.68 0.00 0.98 0.00 0.00 173.24 174.31 1f42 s ALA 274 N -3.92 -1.73 -0.19 5.32 0.00 -0.37 -4.99 121.76 115.88 1f42 s ALA 274 Ca 0.11 1.10 -0.05 0.00 0.00 0.00 0.00 51.96 53.13 1f42 s ALA 274 Cb 0.04 0.21 -0.03 0.00 0.00 0.00 0.00 23.12 23.35 1f42 s ALA 274 CO -0.06 -0.48 -0.00 0.99 0.00 0.00 0.00 175.76 176.21 1f42 s THR 275 N -1.93 4.00 0.20 0.00 2.01 -1.26 -1.19 115.64 117.47 1f42 s THR 275 Ca -0.07 -0.30 -0.01 0.00 0.31 0.00 0.00 61.69 61.62 1f42 s THR 275 Cb -0.00 -2.80 -0.04 0.00 0.01 0.00 0.00 72.50 69.67 1f42 s THR 275 CO 0.03 0.44 0.12 0.68 -0.69 0.00 0.00 174.62 175.20 1f42 s VAL 276 N 0.84 0.07 -0.27 3.82 -7.23 -0.50 -4.97 120.40 112.16 1f42 s VAL 276 Ca 0.01 -1.99 -0.11 0.00 -1.81 0.00 0.00 61.98 58.08 1f42 s VAL 276 Cb -0.14 -2.47 -0.05 0.00 0.56 0.00 0.00 36.38 34.28 1f42 s VAL 276 CO 0.02 -0.04 0.17 -0.63 -0.31 0.00 0.00 175.10 174.31 1f42 s ILE 277 N -4.10 5.23 0.41 -0.62 1.01 -1.26 -0.16 121.20 121.70 1f42 s ILE 277 Ca 0.37 0.14 -0.04 0.00 0.00 0.00 0.00 60.65 61.12 1f42 s ILE 277 Cb 0.07 -3.48 -0.04 0.00 0.01 0.00 0.00 42.46 39.02 1f42 s ILE 277 CO 0.11 0.27 0.69 0.00 0.00 0.00 0.00 174.94 176.01 1f42 s ARG 279 N -4.34 0.73 0.32 0.00 0.52 -1.26 -5.00 118.95 109.91 1f42 s ARG 279 Ca 0.45 -0.15 -0.28 0.00 -0.52 0.00 0.00 55.73 55.23 1f42 s ARG 279 Cb -0.10 0.33 -0.13 0.00 0.52 0.00 0.00 34.95 35.57 1f42 s ARG 279 CO 0.39 -0.21 1.22 1.17 0.02 0.00 0.00 175.30 177.89 1f42 n LYS 280 N 1.19 1.90 -0.80 3.54 4.81 -1.26 -2.10 118.16 125.43 1f42 n LYS 280 Ca -0.21 0.67 0.00 0.00 -0.87 0.00 0.00 58.31 57.90 1f42 n LYS 280 Cb 0.56 -2.20 0.00 0.00 0.02 0.00 0.00 35.03 33.42 1f42 n LYS 280 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1f42 n ASN 281 N 1.02 -1.28 -4.94 3.14 4.13 -1.26 -4.92 115.26 111.14 1f42 n ASN 281 Ca 0.07 0.00 -0.24 0.00 1.68 0.00 0.00 54.58 56.08 1f42 n ASN 281 Cb 0.34 -1.62 -0.02 0.00 -1.54 0.00 0.00 39.78 36.95 1f42 n ASN 281 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1f42 s ALA 282 N -2.08 3.82 0.09 5.41 0.00 -0.89 -4.47 121.76 123.64 1f42 s ALA 282 Ca 0.00 -0.97 0.08 0.00 0.00 0.00 0.00 51.96 51.07 1f42 s ALA 282 Cb 0.00 -1.95 -0.03 0.00 0.00 0.00 0.00 23.12 21.14 1f42 s ALA 282 CO 0.00 0.24 -0.21 -1.12 0.00 0.00 0.00 175.76 174.67 1f42 s SER 283 N -3.66 2.59 -0.15 0.00 0.01 0.51 -0.93 113.70 112.07 1f42 s SER 283 Ca 0.38 -0.65 -0.14 0.00 1.31 0.00 0.00 55.95 56.85 1f42 s SER 283 Cb -0.10 -0.16 -0.05 0.00 0.21 0.00 0.00 66.02 65.92 1f42 s SER 283 CO 0.31 0.10 0.30 -0.63 0.41 0.00 0.00 173.24 173.72 1f42 s ILE 284 N -1.06 5.30 0.01 1.44 -1.09 0.18 0.27 121.20 126.25 1f42 s ILE 284 Ca 0.07 0.55 0.06 0.00 -2.23 0.00 0.00 60.65 59.11 1f42 s ILE 284 Cb -0.10 -3.63 -0.02 0.00 -1.58 0.00 0.00 42.46 37.13 1f42 s ILE 284 CO 0.04 0.40 -0.20 -0.44 -1.23 0.00 0.00 174.94 173.51 1f42 s SER 285 N 0.38 2.31 -0.03 3.58 0.01 0.18 -1.12 113.70 119.01 1f42 s SER 285 Ca 0.17 -0.42 0.01 0.00 1.31 0.00 0.00 55.95 57.02 1f42 s SER 285 Cb -0.13 -0.23 0.02 0.00 0.21 0.00 0.00 66.02 65.89 1f42 s SER 285 CO 0.04 0.20 -0.05 -0.69 0.41 0.00 0.00 173.24 173.15 1f42 s VAL 286 N -0.61 0.52 0.31 3.43 1.01 -0.37 -0.75 120.40 123.95 1f42 s VAL 286 Ca 0.07 -0.15 0.09 0.00 0.00 0.00 0.00 61.98 61.98 1f42 s VAL 286 Cb -0.08 -0.53 -0.06 0.00 0.00 0.00 0.00 36.38 35.71 1f42 s VAL 286 CO 0.00 0.21 -0.09 -0.13 0.00 0.00 0.00 175.10 175.09 1f42 s ARG 287 N 0.68 1.69 0.04 2.72 0.52 -0.84 -1.88 118.95 121.87 1f42 s ARG 287 Ca -0.09 -1.85 0.03 0.00 -0.52 0.00 0.00 55.73 53.30 1f42 s ARG 287 Cb -0.12 -1.49 -0.02 0.00 0.52 0.00 0.00 34.95 33.84 1f42 s ARG 287 CO 0.00 0.12 -0.10 0.00 0.02 0.00 0.00 175.30 175.34 1f42 s ALA 288 N -2.76 0.81 -0.00 2.13 0.00 -1.26 -1.16 121.76 119.51 1f42 s ALA 288 Ca 0.31 -0.72 -0.04 0.00 0.00 0.00 0.00 51.96 51.51 1f42 s ALA 288 Cb 0.02 -0.07 -0.00 0.00 0.00 0.00 0.00 23.12 23.07 1f42 s ALA 288 CO 0.14 0.10 0.07 -1.14 0.00 0.00 0.00 175.76 174.93 1f42 s GLN 289 N -1.20 0.32 -0.15 0.00 0.74 -0.65 -0.84 119.66 117.87 1f42 s GLN 289 Ca -0.03 -0.32 -0.36 0.00 0.05 0.00 0.00 55.36 54.70 1f42 s GLN 289 Cb -0.08 0.13 -0.13 0.00 1.10 0.00 0.00 33.01 34.03 1f42 s GLN 289 CO 0.01 -0.06 1.87 -3.47 -0.55 0.00 0.00 175.29 173.08 1f42 n ASP 290 N 1.95 3.16 -0.31 6.67 -0.08 -1.26 -0.68 116.55 126.00 1f42 n ASP 290 Ca -0.20 0.97 0.11 0.00 -1.51 0.00 0.00 54.79 54.16 1f42 n ASP 290 Cb 0.56 -1.31 0.33 0.00 2.34 0.00 0.00 41.12 43.04 1f42 n ASP 290 CO 0.00 0.00 0.00 -0.09 0.12 0.00 0.00 177.20 177.23 1f42 h ARG 291 N 8.91 0.76 -0.01 -0.67 2.43 -1.57 -3.07 114.38 121.16 1f42 h ARG 291 Ca -0.47 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 58.65 1f42 h ARG 291 Cb 1.28 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 30.66 1f42 h ARG 291 CO 0.96 0.50 -0.62 0.66 -1.51 0.00 0.00 179.97 179.96 1f42 n TYR 292 N -4.60 0.00 -3.72 2.20 4.02 -1.26 -4.89 117.16 108.90 1f42 n TYR 292 Ca 0.19 0.00 -0.17 0.00 -0.01 0.00 0.00 57.90 57.91 1f42 n TYR 292 Cb 0.46 -0.02 -0.16 0.00 -0.02 0.00 0.00 39.34 39.59 1f42 n TYR 292 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 176.86 175.38 1f42 s TYR 293 N -2.67 -0.02 -1.03 -0.72 6.14 -1.16 -5.07 117.35 112.83 1f42 s TYR 293 Ca 0.15 0.28 -0.11 0.00 0.64 0.00 0.00 57.07 58.04 1f42 s TYR 293 Cb 0.18 -0.30 -0.07 0.00 0.42 0.00 0.00 41.96 42.18 1f42 s TYR 293 CO 0.67 -0.16 2.19 0.43 0.64 0.00 0.00 175.55 179.32 1f42 n SER 294 N 4.69 4.79 -1.34 4.32 7.64 -1.26 -4.28 113.62 128.19 1f42 n SER 294 Ca -0.17 -2.49 0.00 0.00 1.01 0.00 0.00 58.87 57.22 1f42 n SER 294 Cb 0.50 -1.22 0.00 0.00 -1.01 0.00 0.00 64.21 62.49 1f42 n SER 294 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1f42 n SER 295 N 5.08 0.00 -4.77 6.43 3.41 -1.26 -5.03 113.62 117.49 1f42 n SER 295 Ca 0.51 0.00 -0.40 0.00 -0.26 0.00 0.00 58.87 58.72 1f42 n SER 295 Cb 0.23 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.16 1f42 n SER 295 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1f42 s SER 296 N -1.00 6.88 0.25 4.04 0.01 -0.91 -4.90 113.70 118.06 1f42 s SER 296 Ca 0.00 2.48 -0.30 0.00 1.31 0.00 0.00 55.95 59.44 1f42 s SER 296 Cb 0.00 -2.63 -0.09 0.00 0.21 0.00 0.00 66.02 63.50 1f42 s SER 296 CO 0.00 -0.44 0.98 0.26 0.41 0.00 0.00 173.24 174.45 1f42 s TRP 297 N -1.21 3.87 1.19 2.43 0.52 -1.26 -4.39 118.94 120.08 1f42 s TRP 297 Ca 0.49 1.86 -0.16 0.00 0.02 0.00 0.00 56.10 58.31 1f42 s TRP 297 Cb -0.35 -3.06 0.28 0.00 -1.15 0.00 0.00 33.47 29.19 1f42 s TRP 297 CO 0.46 0.17 1.04 -1.54 0.02 0.00 0.00 176.95 177.11 1f42 s SER 298 N -1.11 0.93 0.63 2.95 1.04 -0.02 -4.87 113.70 113.25 1f42 s SER 298 Ca 0.42 1.08 -0.15 0.00 0.48 0.00 0.00 55.95 57.79 1f42 s SER 298 Cb -0.27 -1.64 -0.02 0.00 0.10 0.00 0.00 66.02 64.19 1f42 s SER 298 CO 0.34 -4.17 1.08 -1.61 0.98 0.00 0.00 173.24 169.86 1f42 s GLU 299 N -4.92 3.06 0.48 4.02 0.41 -1.26 -4.63 118.70 115.87 1f42 s GLU 299 Ca 0.68 1.24 -0.23 0.00 -0.41 0.00 0.00 54.97 56.25 1f42 s GLU 299 Cb -0.18 -2.00 -0.07 0.00 -1.78 0.00 0.00 34.13 30.11 1f42 s GLU 299 CO 0.60 -1.02 1.24 -1.58 -0.49 0.00 0.00 175.26 174.00 1f42 s TRP 300 N -2.50 2.68 -0.13 1.61 0.52 -1.26 -4.41 118.94 115.46 1f42 s TRP 300 Ca 0.64 1.47 0.01 0.00 0.02 0.00 0.00 56.10 58.24 1f42 s TRP 300 Cb -0.17 -3.54 -0.01 0.00 -1.15 0.00 0.00 33.47 28.60 1f42 s TRP 300 CO 0.41 -2.00 -0.16 0.00 0.02 0.00 0.00 176.95 175.22 1f42 s ALA 301 N -1.44 2.48 0.12 0.98 0.00 -0.79 -4.95 121.76 118.16 1f42 s ALA 301 Ca 0.65 -0.94 0.08 0.00 0.00 0.00 0.00 51.96 51.75 1f42 s ALA 301 Cb -0.33 -1.12 -0.04 0.00 0.00 0.00 0.00 23.12 21.63 1f42 s ALA 301 CO 0.40 0.20 -0.19 -1.12 0.00 0.00 0.00 175.76 175.05 1f42 s SER 302 N 0.45 2.47 -0.03 0.00 0.01 -1.26 -1.23 113.70 114.10 1f42 s SER 302 Ca -0.12 -0.76 0.01 0.00 1.31 0.00 0.00 55.95 56.40 1f42 s SER 302 Cb -0.16 -0.13 0.02 0.00 0.21 0.00 0.00 66.02 65.95 1f42 s SER 302 CO 0.05 -0.01 -0.04 0.54 0.41 0.00 0.00 173.24 174.19 1f42 s VAL 303 N -1.60 0.45 0.45 3.43 0.11 -0.27 -4.99 120.40 117.98 1f42 s VAL 303 Ca 0.09 -0.13 -0.11 0.00 -2.93 0.00 0.00 61.98 58.91 1f42 s VAL 303 Cb -0.08 -0.46 -0.06 0.00 -1.53 0.00 0.00 36.38 34.25 1f42 s VAL 303 CO 0.05 0.18 0.83 -2.16 -3.33 0.00 0.00 175.10 170.67 1f42 s PRO 304 N 0.62 3.78 0.10 1.54 0.04 -1.26 0.48 135.00 140.30 1f42 s PRO 304 Ca -0.08 0.56 0.24 0.00 0.04 0.00 0.00 61.00 61.77 1f42 s PRO 304 Cb -0.11 -2.32 0.29 0.00 0.04 0.00 0.00 34.50 32.40 1f42 s PRO 304 CO -0.00 -0.13 1.26 0.00 0.04 0.00 0.00 177.00 178.17