#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d85 s TRP 2 N 0.00 0.49 -0.25 9.51 1.48 -0.62 -4.96 118.94 124.59 3d85 s TRP 2 Ca 0.00 -0.86 -0.19 0.00 -1.06 0.00 0.00 56.10 53.99 3d85 s TRP 2 Cb 0.00 -0.34 -0.03 0.00 -1.16 0.00 0.00 33.47 31.94 3d85 s TRP 2 CO 0.00 -0.28 0.54 -1.21 -4.06 0.00 0.00 176.95 171.94 3d85 s GLU 3 N -3.05 4.09 -0.01 3.25 2.02 -1.26 -0.75 118.70 122.99 3d85 s GLU 3 Ca -0.00 0.39 -0.19 0.00 0.02 0.00 0.00 54.97 55.19 3d85 s GLU 3 Cb 0.01 -3.64 -0.33 0.00 0.10 0.00 0.00 34.13 30.27 3d85 s GLU 3 CO -0.06 -0.35 0.95 1.25 0.02 0.00 0.00 175.26 177.07 3d85 h LEU 4 N 8.73 0.64 -8.11 1.80 5.85 -1.02 -3.48 115.31 119.71 3d85 h LEU 4 Ca -0.29 -0.93 -0.08 0.00 0.84 0.00 0.00 57.88 57.42 3d85 h LEU 4 Cb 1.14 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.95 3d85 h LEU 4 CO 0.73 1.52 0.18 -1.59 -0.34 0.00 0.00 178.44 178.95 3d85 s LYS 5 N -2.55 2.21 -0.19 1.25 -2.85 -1.17 -5.03 119.74 111.41 3d85 s LYS 5 Ca -0.12 -1.54 -0.38 0.00 -1.00 0.00 0.00 55.97 52.94 3d85 s LYS 5 Cb 0.02 0.59 -0.15 0.00 -2.06 0.00 0.00 37.83 36.24 3d85 s LYS 5 CO 0.88 -1.01 1.75 1.17 0.10 0.00 0.00 175.35 178.24 3d85 n LYS 6 N -0.55 1.47 -1.20 1.78 4.81 -1.26 -1.42 118.16 121.79 3d85 n LYS 6 Ca -0.07 0.54 -0.07 0.00 -0.87 0.00 0.00 58.31 57.84 3d85 n LYS 6 Cb 0.60 -2.27 -0.03 0.00 0.02 0.00 0.00 35.03 33.35 3d85 n LYS 6 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 3d85 n ASP 7 N 5.48 -4.31 -3.91 3.14 8.00 -1.26 -4.98 116.55 118.70 3d85 n ASP 7 Ca 0.25 0.17 -0.27 0.00 0.71 0.00 0.00 54.79 55.65 3d85 n ASP 7 Cb 0.19 -2.43 -0.17 0.00 -0.02 0.00 0.00 41.12 38.69 3d85 n ASP 7 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3d85 s VAL 8 N -2.10 1.03 0.08 2.53 1.01 -0.51 -0.68 120.40 121.76 3d85 s VAL 8 Ca 0.00 -0.30 0.09 0.00 0.00 0.00 0.00 61.98 61.77 3d85 s VAL 8 Cb 0.00 -1.04 -0.03 0.00 0.00 0.00 0.00 36.38 35.30 3d85 s VAL 8 CO 0.00 0.37 -0.24 -0.31 0.00 0.00 0.00 175.10 174.91 3d85 s TYR 9 N 1.64 2.38 -0.17 5.22 1.51 0.71 -0.33 117.35 128.31 3d85 s TYR 9 Ca 0.04 -0.36 -0.01 0.00 -1.01 0.00 0.00 57.07 55.72 3d85 s TYR 9 Cb -0.13 -1.36 -0.00 0.00 -0.11 0.00 0.00 41.96 40.36 3d85 s TYR 9 CO -0.08 0.23 -0.11 0.08 -1.11 0.00 0.00 175.55 174.57 3d85 s VAL 10 N -0.93 2.95 -0.31 0.71 1.01 0.07 -0.08 120.40 123.82 3d85 s VAL 10 Ca 0.13 -0.66 -0.09 0.00 0.00 0.00 0.00 61.98 61.36 3d85 s VAL 10 Cb -0.10 -2.28 -0.00 0.00 0.00 0.00 0.00 36.38 34.00 3d85 s VAL 10 CO 0.04 0.49 0.13 -0.69 0.00 0.00 0.00 175.10 175.08 3d85 s VAL 11 N 0.98 4.42 -0.16 2.92 1.01 -0.08 -1.59 120.40 127.91 3d85 s VAL 11 Ca -0.01 -0.51 -0.24 0.00 0.00 0.00 0.00 61.98 61.21 3d85 s VAL 11 Cb -0.15 -3.27 -0.02 0.00 0.00 0.00 0.00 36.38 32.94 3d85 s VAL 11 CO -0.01 0.06 0.79 -1.61 0.00 0.00 0.00 175.10 174.32 3d85 s GLU 12 N 1.58 4.30 -0.07 2.72 2.02 -1.26 -1.32 118.70 126.67 3d85 s GLU 12 Ca 0.04 0.94 0.04 0.00 0.02 0.00 0.00 54.97 56.01 3d85 s GLU 12 Cb -0.17 -3.56 -0.00 0.00 0.10 0.00 0.00 34.13 30.50 3d85 s GLU 12 CO 0.05 -0.27 -0.20 -0.51 0.02 0.00 0.00 175.26 174.35 3d85 s LEU 13 N 1.97 1.94 -0.37 1.80 1.43 -0.42 -4.92 118.68 120.10 3d85 s LEU 13 Ca 0.37 -0.43 -0.29 0.00 -1.03 0.00 0.00 54.13 52.74 3d85 s LEU 13 Cb -0.17 -1.15 0.02 0.00 0.03 0.00 0.00 46.19 44.93 3d85 s LEU 13 CO 0.13 0.15 1.16 -0.62 0.23 0.00 0.00 176.35 177.40 3d85 s ASP 14 N 0.23 6.74 -0.39 2.29 2.15 -1.26 -0.99 116.67 125.44 3d85 s ASP 14 Ca -0.11 0.88 -0.19 0.00 0.43 0.00 0.00 52.55 53.56 3d85 s ASP 14 Cb -0.15 -2.54 0.01 0.00 -0.30 0.00 0.00 42.92 39.94 3d85 s ASP 14 CO 0.05 -1.08 0.57 0.86 -0.17 0.00 0.00 175.17 175.40 3d85 s TRP 15 N 4.18 3.14 -0.29 -5.34 -0.00 0.26 -4.85 118.94 116.03 3d85 s TRP 15 Ca 0.50 0.06 -0.22 0.00 -0.00 0.00 0.00 56.10 56.43 3d85 s TRP 15 Cb -0.12 -3.09 0.14 0.00 -0.00 0.00 0.00 33.47 30.40 3d85 s TRP 15 CO 0.23 -0.68 1.06 1.52 -0.00 0.00 0.00 176.95 179.08 3d85 s TYR 16 N 2.55 -0.46 -0.11 5.86 -0.85 -1.26 -4.60 117.35 118.47 3d85 s TYR 16 Ca 0.20 1.04 -0.19 0.00 -0.52 0.00 0.00 57.07 57.60 3d85 s TYR 16 Cb -0.15 0.36 -0.09 0.00 0.38 0.00 0.00 41.96 42.47 3d85 s TYR 16 CO 0.15 -0.22 0.59 -2.30 -1.52 0.00 0.00 175.55 172.25 3d85 n PRO 17 N 2.65 0.00 -1.54 -3.49 -0.02 -1.26 -3.75 135.00 127.60 3d85 n PRO 17 Ca -0.14 0.00 -0.00 0.00 -2.02 0.00 0.00 63.50 61.33 3d85 n PRO 17 Cb 0.57 -0.66 0.00 0.00 -0.02 0.00 0.00 33.50 33.39 3d85 n PRO 17 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 3d85 n ASP 18 N 1.22 -2.10 0.00 2.55 -0.08 -1.26 -4.99 116.55 111.89 3d85 n ASP 18 Ca 0.11 -0.01 0.00 0.00 -1.51 0.00 0.00 54.79 53.38 3d85 n ASP 18 Cb 0.00 -0.63 0.00 0.00 2.34 0.00 0.00 41.12 42.83 3d85 n ASP 18 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3d85 n ALA 19 N -1.50 0.00 0.16 -1.67 0.00 -1.25 -4.94 120.51 111.31 3d85 n ALA 19 Ca -0.00 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.47 3d85 n ALA 19 Cb 0.50 0.00 0.19 0.00 0.00 0.00 0.00 19.45 20.14 3d85 n ALA 19 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 3d85 h PRO 20 N 0.00 0.00 0.00 0.00 0.13 -1.90 -3.44 132.00 126.79 3d85 h PRO 20 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 3d85 h PRO 20 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 3d85 h PRO 20 CO 0.00 0.50 0.00 0.41 -0.23 0.00 0.00 178.00 178.68 3d85 n GLY 21 N 0.61 -1.31 2.92 1.56 0.00 -1.26 -4.81 105.19 102.91 3d85 n GLY 21 Ca 0.00 -1.27 -0.15 0.00 0.00 0.00 0.00 46.02 44.60 3d85 n GLY 21 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3d85 s GLU 22 N 0.00 0.35 -0.18 1.61 2.12 -0.11 -4.93 118.70 117.55 3d85 s GLU 22 Ca 0.00 -0.12 -0.27 0.00 0.36 0.00 0.00 54.97 54.95 3d85 s GLU 22 Cb 0.00 -0.36 -0.01 0.00 0.26 0.00 0.00 34.13 34.02 3d85 s GLU 22 CO 0.00 0.05 0.90 1.41 -0.54 0.00 0.00 175.26 177.08 3d85 s MET 23 N 0.09 4.29 -0.16 4.30 -2.45 -1.26 -0.27 119.30 123.84 3d85 s MET 23 Ca -0.01 1.13 0.01 0.00 -1.25 0.00 0.00 55.69 55.57 3d85 s MET 23 Cb -0.04 -3.59 0.00 0.00 1.25 0.00 0.00 34.83 32.45 3d85 s MET 23 CO -0.00 -0.42 -0.16 0.08 1.05 0.00 0.00 175.02 175.56 3d85 s VAL 24 N 2.46 2.55 -0.34 10.11 1.01 0.85 -4.98 120.40 132.06 3d85 s VAL 24 Ca 0.40 -0.81 -0.11 0.00 0.00 0.00 0.00 61.98 61.47 3d85 s VAL 24 Cb -0.16 -2.07 0.00 0.00 0.00 0.00 0.00 36.38 34.15 3d85 s VAL 24 CO 0.11 0.52 0.20 -0.69 0.00 0.00 0.00 175.10 175.24 3d85 s VAL 25 N 0.86 4.81 -0.09 2.92 1.01 -1.26 -0.94 120.40 127.71 3d85 s VAL 25 Ca -0.05 -0.50 -0.09 0.00 0.00 0.00 0.00 61.98 61.34 3d85 s VAL 25 Cb -0.15 -3.53 -0.04 0.00 0.00 0.00 0.00 36.38 32.65 3d85 s VAL 25 CO -0.01 -0.06 0.22 -0.76 0.00 0.00 0.00 175.10 174.49 3d85 s LEU 26 N 1.63 4.41 -0.10 3.92 1.43 -0.58 -4.95 118.68 124.43 3d85 s LEU 26 Ca 0.04 0.60 0.04 0.00 -1.03 0.00 0.00 54.13 53.78 3d85 s LEU 26 Cb -0.18 -2.22 -0.00 0.00 0.03 0.00 0.00 46.19 43.82 3d85 s LEU 26 CO 0.08 0.38 -0.23 -0.89 0.23 0.00 0.00 176.35 175.91 3d85 s THR 27 N -0.98 2.16 0.18 5.49 2.01 -1.26 -1.56 115.64 121.68 3d85 s THR 27 Ca 0.17 -0.98 -0.30 0.00 0.31 0.00 0.00 61.69 60.88 3d85 s THR 27 Cb -0.13 -1.83 -0.09 0.00 0.01 0.00 0.00 72.50 70.46 3d85 s THR 27 CO 0.06 0.56 1.37 0.00 -0.69 0.00 0.00 174.62 175.92 3d85 s ASP 29 N 0.62 6.63 -0.18 0.00 2.15 -1.26 -4.88 116.67 119.75 3d85 s ASP 29 Ca 0.60 -1.89 -0.29 0.00 0.43 0.00 0.00 52.55 51.40 3d85 s ASP 29 Cb -0.38 -2.50 0.11 0.00 -0.30 0.00 0.00 42.92 39.85 3d85 s ASP 29 CO 0.36 -1.26 0.93 0.28 -0.17 0.00 0.00 175.17 175.31 3d85 s THR 30 N 3.89 0.00 -0.17 1.71 -1.32 -1.26 -4.69 115.64 113.80 3d85 s THR 30 Ca 0.43 0.00 0.29 0.00 -1.21 0.00 0.00 61.69 61.20 3d85 s THR 30 Cb -0.01 -1.00 0.35 0.00 -1.51 0.00 0.00 72.50 70.33 3d85 s THR 30 CO -0.07 0.00 1.85 1.55 -2.21 0.00 0.00 174.62 175.74 3d85 h PRO 31 N 3.23 0.00 -7.12 7.08 0.13 -2.05 -3.45 132.00 129.82 3d85 h PRO 31 Ca -0.23 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.37 3d85 h PRO 31 Cb 1.16 0.00 0.12 0.00 0.13 0.00 0.00 31.00 32.41 3d85 h PRO 31 CO 0.25 0.00 0.45 -1.21 -0.23 0.00 0.00 178.00 177.27 3d85 s GLU 32 N -3.48 2.78 0.00 0.86 0.41 -1.26 -4.99 118.70 113.02 3d85 s GLU 32 Ca 0.04 1.80 0.00 0.00 -0.41 0.00 0.00 54.97 56.40 3d85 s GLU 32 Cb 0.08 -1.91 0.00 0.00 -1.78 0.00 0.00 34.13 30.53 3d85 s GLU 32 CO 0.55 -1.35 0.00 0.39 -0.49 0.00 0.00 175.26 174.36 3d85 n GLU 33 N -1.88 1.45 -4.20 1.61 1.02 -1.26 -4.93 120.64 112.45 3d85 n GLU 33 Ca 0.14 0.00 -0.23 0.00 -0.02 0.00 0.00 57.16 57.04 3d85 n GLU 33 Cb 0.50 -0.96 -0.06 0.00 -0.02 0.00 0.00 31.44 30.89 3d85 n GLU 33 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3d85 s ASP 34 N -2.16 4.98 -1.14 1.62 1.01 -1.26 -4.19 116.67 115.54 3d85 s ASP 34 Ca 0.00 -0.43 0.00 0.00 0.71 0.00 0.00 52.55 52.83 3d85 s ASP 34 Cb 0.00 -1.10 0.00 0.00 1.01 0.00 0.00 42.92 42.83 3d85 s ASP 34 CO 0.00 0.01 0.00 0.61 0.21 0.00 0.00 175.17 176.00 3d85 n GLY 35 N -0.81 1.19 3.77 0.21 0.00 -1.26 -5.00 105.19 103.30 3d85 n GLY 35 Ca -0.08 -0.46 -0.39 0.00 0.00 0.00 0.00 46.02 45.10 3d85 n GLY 35 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3d85 s ILE 36 N -2.36 4.85 0.27 -0.61 1.01 -1.26 -4.39 121.20 118.73 3d85 s ILE 36 Ca 0.00 1.26 0.07 0.00 0.00 0.00 0.00 60.65 61.98 3d85 s ILE 36 Cb 0.00 -3.94 -0.06 0.00 0.01 0.00 0.00 42.46 38.48 3d85 s ILE 36 CO 0.00 0.45 -0.06 0.42 0.00 0.00 0.00 174.94 175.74 3d85 s THR 37 N -0.41 1.66 0.02 2.92 -4.23 -0.25 -0.78 115.64 114.58 3d85 s THR 37 Ca 0.31 -2.13 0.05 0.00 -1.18 0.00 0.00 61.69 58.74 3d85 s THR 37 Cb -0.19 -2.42 -0.02 0.00 1.34 0.00 0.00 72.50 71.21 3d85 s THR 37 CO 0.18 -0.32 -0.15 0.26 -0.54 0.00 0.00 174.62 174.05 3d85 s TRP 38 N -3.00 1.34 0.20 3.99 0.52 -0.04 0.04 118.94 121.98 3d85 s TRP 38 Ca 0.29 -0.32 0.02 0.00 0.02 0.00 0.00 56.10 56.11 3d85 s TRP 38 Cb 0.03 -0.81 -0.05 0.00 -1.15 0.00 0.00 33.47 31.49 3d85 s TRP 38 CO 0.12 0.03 0.02 0.95 0.02 0.00 0.00 176.95 178.08 3d85 s THR 39 N -0.68 0.73 -0.08 2.01 -4.23 -0.27 -0.70 115.64 112.42 3d85 s THR 39 Ca 0.04 -2.00 0.04 0.00 -1.18 0.00 0.00 61.69 58.59 3d85 s THR 39 Cb -0.07 -2.25 -0.00 0.00 1.34 0.00 0.00 72.50 71.52 3d85 s THR 39 CO 0.01 -0.37 -0.22 -0.22 -0.54 0.00 0.00 174.62 173.29 3d85 s LEU 40 N -3.22 1.99 0.00 4.79 2.96 -1.26 -1.06 118.68 122.88 3d85 s LEU 40 Ca 0.27 -0.48 0.00 0.00 -0.22 0.00 0.00 54.13 53.70 3d85 s LEU 40 Cb 0.06 -1.25 0.00 0.00 0.50 0.00 0.00 46.19 45.50 3d85 s LEU 40 CO 0.07 0.16 0.00 0.47 -1.32 0.00 0.00 176.35 175.72 3d85 n ASP 41 N 3.39 0.00 -0.62 3.68 10.43 0.43 -2.62 116.55 131.24 3d85 n ASP 41 Ca -0.19 0.00 0.13 0.00 2.57 0.00 0.00 54.79 57.30 3d85 n ASP 41 Cb 0.53 0.00 0.40 0.00 1.84 0.00 0.00 41.12 43.89 3d85 n ASP 41 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3d85 n GLN 42 N 14.00 1.85 -2.78 -1.24 1.13 -1.26 -4.93 117.38 124.16 3d85 n GLN 42 Ca 0.00 -1.24 -0.41 0.00 -1.94 0.00 0.00 57.00 53.41 3d85 n GLN 42 Cb 0.00 -1.47 -0.04 0.00 0.11 0.00 0.00 30.24 28.84 3d85 n GLN 42 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 3d85 s SER 43 N -1.92 7.43 0.00 1.08 0.15 -1.08 -4.95 113.70 114.41 3d85 s SER 43 Ca 0.35 1.71 0.25 0.00 0.70 0.00 0.00 55.95 58.97 3d85 s SER 43 Cb 0.20 -2.56 1.19 0.00 -1.71 0.00 0.00 66.02 63.14 3d85 s SER 43 CO 0.32 -0.07 1.84 -1.54 1.20 0.00 0.00 173.24 174.99 3d85 n SER 44 N 2.90 0.00 -4.68 5.45 3.41 -1.26 -4.15 113.62 115.29 3d85 n SER 44 Ca 0.02 0.20 -0.45 0.00 -0.26 0.00 0.00 58.87 58.38 3d85 n SER 44 Cb 0.50 -0.39 -0.04 0.00 -0.26 0.00 0.00 64.21 64.02 3d85 n SER 44 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3d85 n GLU 45 N -1.39 2.40 -2.53 4.33 1.02 -1.26 -4.90 120.64 118.31 3d85 n GLU 45 Ca 0.09 0.87 -0.43 0.00 -0.02 0.00 0.00 57.16 57.68 3d85 n GLU 45 Cb 0.25 -2.69 -0.02 0.00 -0.02 0.00 0.00 31.44 28.96 3d85 n GLU 45 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3d85 s VAL 46 N 1.72 4.45 -0.13 2.62 1.01 -1.26 -4.50 120.40 124.30 3d85 s VAL 46 Ca 0.80 1.75 0.22 0.00 0.00 0.00 0.00 61.98 64.75 3d85 s VAL 46 Cb -0.61 -4.12 -0.18 0.00 0.00 0.00 0.00 36.38 31.47 3d85 s VAL 46 CO 0.38 -0.06 0.72 0.18 0.00 0.00 0.00 175.10 176.33 3d85 n LEU 47 N 5.65 0.42 0.00 3.92 4.77 0.12 -5.01 117.00 126.86 3d85 n LEU 47 Ca 0.11 0.16 0.00 0.00 -0.03 0.00 0.00 56.01 56.26 3d85 n LEU 47 Cb 0.46 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.55 3d85 n LEU 47 CO 0.54 -0.05 0.00 0.61 -1.33 0.00 0.00 177.39 177.16 3d85 n GLY 48 N 1.25 -0.01 3.10 -0.72 0.00 -1.24 -4.98 105.19 102.59 3d85 n GLY 48 Ca -0.04 -0.88 -0.08 0.00 0.00 0.00 0.00 46.02 45.02 3d85 n GLY 48 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3d85 s SER 49 N 0.00 0.34 0.00 1.61 1.04 -1.26 -0.86 113.70 114.57 3d85 s SER 49 Ca 0.00 -0.78 0.00 0.00 0.48 0.00 0.00 55.95 55.65 3d85 s SER 49 Cb 0.00 0.21 0.00 0.00 0.10 0.00 0.00 66.02 66.33 3d85 s SER 49 CO 0.00 -0.56 0.00 0.61 0.98 0.00 0.00 173.24 174.27 3d85 n GLY 50 N 0.42 2.89 0.28 7.32 0.00 0.04 -4.80 105.19 111.35 3d85 n GLY 50 Ca -0.17 -2.02 0.17 0.00 0.00 0.00 0.00 46.02 44.01 3d85 n GLY 50 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3d85 h LYS 51 N 0.00 0.00 -5.78 1.61 3.64 -1.87 -3.43 116.57 110.73 3d85 h LYS 51 Ca 0.00 0.00 -0.50 0.00 -1.27 0.00 0.00 60.65 58.88 3d85 h LYS 51 Cb 0.00 0.00 -0.14 0.00 -0.41 0.00 0.00 32.23 31.68 3d85 h LYS 51 CO 0.00 0.05 -0.74 0.95 -2.27 0.00 0.00 179.45 177.43 3d85 s THR 52 N -3.85 1.99 -0.03 1.00 -4.23 -1.26 -0.45 115.64 108.80 3d85 s THR 52 Ca -0.01 -2.28 -0.01 0.00 -1.18 0.00 0.00 61.69 58.22 3d85 s THR 52 Cb 0.11 -2.13 0.03 0.00 1.34 0.00 0.00 72.50 71.84 3d85 s THR 52 CO 0.53 -0.53 0.03 -0.22 -0.54 0.00 0.00 174.62 173.89 3d85 s LEU 53 N -3.38 0.81 -0.21 4.79 2.96 -0.60 -4.81 118.68 118.24 3d85 s LEU 53 Ca 0.25 0.02 -0.07 0.00 -0.22 0.00 0.00 54.13 54.11 3d85 s LEU 53 Cb -0.02 -0.16 -0.04 0.00 0.50 0.00 0.00 46.19 46.47 3d85 s LEU 53 CO 0.10 -0.16 0.06 -0.89 -1.32 0.00 0.00 176.35 174.14 3d85 s THR 54 N 1.42 4.59 -0.04 3.68 2.01 -1.26 -1.53 115.64 124.52 3d85 s THR 54 Ca -0.04 -0.09 0.06 0.00 0.31 0.00 0.00 61.69 61.93 3d85 s THR 54 Cb -0.13 -3.10 -0.01 0.00 0.01 0.00 0.00 72.50 69.27 3d85 s THR 54 CO -0.03 0.41 -0.23 -0.63 -0.69 0.00 0.00 174.62 173.45 3d85 s ILE 55 N 0.86 1.88 -0.56 1.82 1.01 -0.12 -4.99 121.20 121.11 3d85 s ILE 55 Ca 0.04 -0.99 -0.17 0.00 0.00 0.00 0.00 60.65 59.52 3d85 s ILE 55 Cb -0.14 -1.58 0.12 0.00 0.01 0.00 0.00 42.46 40.87 3d85 s ILE 55 CO 0.02 0.53 0.59 -1.58 0.00 0.00 0.00 174.94 174.51 3d85 s GLN 56 N -0.32 3.02 -0.39 2.79 2.00 -1.26 -0.11 119.66 125.38 3d85 s GLN 56 Ca 0.02 -1.51 -0.26 0.00 -2.00 0.00 0.00 55.36 51.61 3d85 s GLN 56 Cb -0.11 -4.28 0.02 0.00 0.80 0.00 0.00 33.01 29.44 3d85 s GLN 56 CO 0.01 -1.42 0.93 0.08 -0.50 0.00 0.00 175.29 174.39 3d85 s VAL 57 N 2.12 4.55 0.00 1.34 1.01 0.63 -4.79 120.40 125.26 3d85 s VAL 57 Ca 0.07 1.07 0.00 0.00 0.00 0.00 0.00 61.98 63.12 3d85 s VAL 57 Cb -0.27 -4.36 0.00 0.00 0.00 0.00 0.00 36.38 31.75 3d85 s VAL 57 CO 0.05 -0.62 0.00 0.29 0.00 0.00 0.00 175.10 174.82 3d85 n LYS 58 N 6.89 2.58 -4.09 2.72 5.02 -1.26 -0.94 118.16 129.09 3d85 n LYS 58 Ca 0.07 0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.25 3d85 n LYS 58 Cb 0.48 -0.78 -0.08 0.00 -0.02 0.00 0.00 35.03 34.64 3d85 n LYS 58 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3d85 s GLU 59 N -1.20 1.28 0.55 1.97 2.02 -1.26 -4.92 118.70 117.13 3d85 s GLU 59 Ca 0.00 -1.41 0.23 0.00 0.02 0.00 0.00 54.97 53.81 3d85 s GLU 59 Cb 0.00 0.35 1.45 0.00 0.10 0.00 0.00 34.13 36.03 3d85 s GLU 59 CO 0.00 -0.47 2.11 0.74 0.02 0.00 0.00 175.26 177.66 3d85 h PHE 60 N 2.51 0.00 0.00 1.61 -1.00 -1.97 0.20 116.94 118.29 3d85 h PHE 60 Ca -0.32 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.46 3d85 h PHE 60 Cb 1.24 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.80 3d85 h PHE 60 CO 0.38 0.00 0.00 0.78 -1.61 0.00 0.00 178.31 177.86 3d85 h GLY 61 N 0.00 0.00 1.01 -1.45 0.00 -2.02 -1.06 103.07 99.54 3d85 h GLY 61 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.42 3d85 h GLY 61 CO -0.00 0.00 -0.85 -0.55 0.00 0.00 0.00 176.54 175.14 3d85 h ASP 62 N 0.00 0.00 -2.78 0.19 3.45 -0.96 -3.47 116.42 112.84 3d85 h ASP 62 Ca 0.00 -0.14 -0.46 0.00 0.43 0.00 0.00 57.03 56.86 3d85 h ASP 62 Cb 0.20 0.00 0.09 0.00 -0.56 0.00 0.00 39.33 39.06 3d85 h ASP 62 CO 0.00 0.07 0.16 0.00 -1.57 0.00 0.00 179.24 177.90 3d85 s ALA 63 N -3.26 3.40 0.00 3.45 0.00 -0.40 -4.96 121.76 119.99 3d85 s ALA 63 Ca 0.03 -1.45 0.00 0.00 0.00 0.00 0.00 51.96 50.54 3d85 s ALA 63 Cb 0.12 -2.24 0.00 0.00 0.00 0.00 0.00 23.12 20.99 3d85 s ALA 63 CO 0.76 -1.50 0.00 0.41 0.00 0.00 0.00 175.76 175.44 3d85 n GLY 64 N -2.93 0.47 3.51 0.00 0.00 -0.83 -4.96 105.19 100.44 3d85 n GLY 64 Ca 0.13 -2.18 -0.43 0.00 0.00 0.00 0.00 46.02 43.54 3d85 n GLY 64 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3d85 s GLN 65 N -0.66 3.23 -0.04 1.61 0.74 -1.26 -1.26 119.66 122.01 3d85 s GLN 65 Ca 0.00 -0.49 -0.19 0.00 0.05 0.00 0.00 55.36 54.74 3d85 s GLN 65 Cb 0.00 -3.96 -0.05 0.00 1.10 0.00 0.00 33.01 30.10 3d85 s GLN 65 CO 0.00 -0.98 0.52 0.71 -0.55 0.00 0.00 175.29 174.99 3d85 s TYR 66 N 2.65 3.63 -0.03 1.67 1.51 0.41 -0.43 117.35 126.76 3d85 s TYR 66 Ca 0.20 1.05 0.04 0.00 -1.01 0.00 0.00 57.07 57.35 3d85 s TYR 66 Cb -0.15 -2.53 -0.01 0.00 -0.11 0.00 0.00 41.96 39.16 3d85 s TYR 66 CO 0.17 0.33 -0.16 0.99 -1.11 0.00 0.00 175.55 175.78 3d85 s THR 67 N -0.04 1.30 0.03 -0.71 2.01 -0.22 -0.39 115.64 117.61 3d85 s THR 67 Ca 0.28 -0.67 0.02 0.00 0.31 0.00 0.00 61.69 61.63 3d85 s THR 67 Cb -0.17 -1.11 -0.04 0.00 0.01 0.00 0.00 72.50 71.19 3d85 s THR 67 CO 0.14 0.38 0.04 0.00 -0.69 0.00 0.00 174.62 174.49 3d85 s HIS 69 N -1.22 0.92 -0.22 0.00 3.76 0.11 -0.26 115.29 118.38 3d85 s HIS 69 Ca 0.24 -0.85 -0.15 0.00 -0.15 0.00 0.00 55.06 54.15 3d85 s HIS 69 Cb -0.12 -0.52 0.06 0.00 1.11 0.00 0.00 32.58 33.11 3d85 s HIS 69 CO 0.15 -0.11 0.56 0.21 -0.85 0.00 0.00 174.74 174.70 3d85 s LYS 70 N -3.56 0.59 -1.47 1.40 2.20 -0.12 -1.09 119.74 117.70 3d85 s LYS 70 Ca 0.10 0.93 -0.07 0.00 -0.36 0.00 0.00 55.97 56.56 3d85 s LYS 70 Cb 0.03 0.16 0.02 0.00 -1.51 0.00 0.00 37.83 36.53 3d85 s LYS 70 CO -0.03 -0.13 0.85 0.41 -0.36 0.00 0.00 175.35 176.09 3d85 n GLY 71 N 3.72 -0.53 2.76 5.54 0.00 -1.26 -1.27 105.19 114.14 3d85 n GLY 71 Ca -0.19 0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3d85 n GLY 71 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3d85 n GLY 72 N -1.71 0.67 3.53 -0.02 0.00 -1.26 -5.02 105.19 101.38 3d85 n GLY 72 Ca -0.05 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.70 3d85 n GLY 72 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3d85 s GLU 73 N -0.23 1.90 0.03 1.61 0.41 -0.39 -5.11 118.70 116.93 3d85 s GLU 73 Ca 0.00 -1.34 -0.29 0.00 -0.41 0.00 0.00 54.97 52.93 3d85 s GLU 73 Cb 0.00 -2.07 -0.04 0.00 -1.78 0.00 0.00 34.13 30.24 3d85 s GLU 73 CO 0.00 0.43 0.94 0.08 -0.49 0.00 0.00 175.26 176.21 3d85 s VAL 74 N -1.67 4.75 -0.14 2.63 1.01 -1.26 -0.94 120.40 124.78 3d85 s VAL 74 Ca 0.23 1.99 -0.12 0.00 0.00 0.00 0.00 61.98 64.09 3d85 s VAL 74 Cb -0.09 -4.29 -0.04 0.00 0.00 0.00 0.00 36.38 31.97 3d85 s VAL 74 CO 0.13 0.23 -0.23 0.18 0.00 0.00 0.00 175.10 175.42 3d85 n LEU 75 N 3.45 1.60 -3.79 3.92 4.77 0.64 -4.90 117.00 122.70 3d85 n LEU 75 Ca 0.04 0.42 -0.09 0.00 -0.03 0.00 0.00 56.01 56.35 3d85 n LEU 75 Cb 0.50 -0.76 -0.04 0.00 -2.33 0.00 0.00 43.42 40.80 3d85 n LEU 75 CO 0.51 -0.39 0.26 -0.94 -1.33 0.00 0.00 177.39 175.50 3d85 s SER 76 N -5.52 -0.23 0.09 -1.43 1.04 -1.21 -4.92 113.70 101.53 3d85 s SER 76 Ca -0.19 -0.56 0.07 0.00 0.48 0.00 0.00 55.95 55.75 3d85 s SER 76 Cb 0.03 0.58 -0.03 0.00 0.10 0.00 0.00 66.02 66.70 3d85 s SER 76 CO 0.28 -1.08 -0.19 -1.00 0.98 0.00 0.00 173.24 172.23 3d85 s HIS 77 N -3.90 1.65 -0.05 5.02 3.76 -1.26 -0.98 115.29 119.53 3d85 s HIS 77 Ca 0.11 -0.43 -0.02 0.00 -0.15 0.00 0.00 55.06 54.58 3d85 s HIS 77 Cb -0.01 -0.91 0.03 0.00 1.11 0.00 0.00 32.58 32.80 3d85 s HIS 77 CO -0.01 0.17 0.03 -1.12 -0.85 0.00 0.00 174.74 172.97 3d85 s SER 78 N -1.86 1.23 -0.22 1.40 0.01 0.47 -4.85 113.70 109.89 3d85 s SER 78 Ca 0.04 0.01 -0.09 0.00 1.31 0.00 0.00 55.95 57.22 3d85 s SER 78 Cb -0.10 -0.26 -0.04 0.00 0.21 0.00 0.00 66.02 65.83 3d85 s SER 78 CO 0.04 -0.21 0.12 -0.22 0.41 0.00 0.00 173.24 173.37 3d85 s LEU 79 N 1.98 3.94 -0.16 2.44 2.96 0.15 -0.45 118.68 129.54 3d85 s LEU 79 Ca 0.04 0.06 -0.06 0.00 -0.22 0.00 0.00 54.13 53.95 3d85 s LEU 79 Cb -0.12 -2.04 -0.04 0.00 0.50 0.00 0.00 46.19 44.49 3d85 s LEU 79 CO -0.04 0.09 0.04 -0.76 -1.32 0.00 0.00 176.35 174.36 3d85 s LEU 80 N 0.92 3.74 0.17 -0.68 1.43 -0.39 -0.21 118.68 123.66 3d85 s LEU 80 Ca 0.06 0.09 0.11 0.00 -1.03 0.00 0.00 54.13 53.36 3d85 s LEU 80 Cb -0.13 -1.92 -0.04 0.00 0.03 0.00 0.00 46.19 44.12 3d85 s LEU 80 CO 0.03 0.23 -0.25 -0.76 0.23 0.00 0.00 176.35 175.83 3d85 s LEU 81 N 0.05 2.40 -0.13 1.79 1.43 0.89 -1.97 118.68 123.14 3d85 s LEU 81 Ca 0.04 -0.83 -0.03 0.00 -1.03 0.00 0.00 54.13 52.28 3d85 s LEU 81 Cb -0.12 -1.18 -0.03 0.00 0.03 0.00 0.00 46.19 44.88 3d85 s LEU 81 CO 0.01 0.14 -0.03 -0.76 0.23 0.00 0.00 176.35 175.94 3d85 s LEU 82 N -2.48 3.35 -0.39 1.79 1.43 0.21 -0.90 118.68 121.69 3d85 s LEU 82 Ca 0.19 -0.05 -0.03 0.00 -1.03 0.00 0.00 54.13 53.21 3d85 s LEU 82 Cb -0.09 -1.79 0.10 0.00 0.03 0.00 0.00 46.19 44.44 3d85 s LEU 82 CO 0.09 0.24 0.17 -2.28 0.23 0.00 0.00 176.35 174.79 3d85 s HIS 83 N -0.03 3.53 0.08 0.29 2.46 -0.43 -0.71 115.29 120.47 3d85 s HIS 83 Ca 0.02 -2.29 -0.30 0.00 0.47 0.00 0.00 55.06 52.95 3d85 s HIS 83 Cb -0.13 -3.01 -0.05 0.00 -0.13 0.00 0.00 32.58 29.26 3d85 s HIS 83 CO 0.02 -0.93 1.05 0.15 -2.47 0.00 0.00 174.74 172.56 3d85 s LYS 84 N 1.17 4.57 -0.25 2.88 1.02 -1.26 -1.30 119.74 126.56 3d85 s LYS 84 Ca 0.06 1.58 0.00 0.00 0.02 0.00 0.00 55.97 57.63 3d85 s LYS 84 Cb -0.22 -3.37 0.04 0.00 -0.52 0.00 0.00 37.83 33.76 3d85 s LYS 84 CO -0.03 -0.01 -0.09 0.21 -0.92 0.00 0.00 175.35 174.51 3d85 s LYS 85 N 0.47 2.62 -0.16 1.68 2.20 -0.16 -1.55 119.74 124.85 3d85 s LYS 85 Ca 0.52 -1.11 -0.02 0.00 -0.36 0.00 0.00 55.97 55.00 3d85 s LYS 85 Cb -0.25 -2.92 -0.02 0.00 -1.51 0.00 0.00 37.83 33.13 3d85 s LYS 85 CO 0.30 -0.45 -0.09 -1.21 -0.36 0.00 0.00 175.35 173.54 3d85 s GLU 86 N 1.24 3.45 -1.21 4.03 2.02 0.19 -0.57 118.70 127.86 3d85 s GLU 86 Ca -0.03 -0.63 -0.03 0.00 0.02 0.00 0.00 54.97 54.31 3d85 s GLU 86 Cb -0.18 -2.79 0.02 0.00 0.10 0.00 0.00 34.13 31.28 3d85 s GLU 86 CO -0.05 0.12 0.19 -0.25 0.02 0.00 0.00 175.26 175.28 3d85 n ASP 87 N 3.84 -4.20 0.00 -0.19 8.00 -1.26 -0.45 116.55 122.28 3d85 n ASP 87 Ca -0.18 -0.01 0.00 0.00 0.71 0.00 0.00 54.79 55.31 3d85 n ASP 87 Cb 0.52 -3.52 0.00 0.00 -0.02 0.00 0.00 41.12 38.10 3d85 n ASP 87 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3d85 n GLY 88 N -0.98 1.09 3.30 0.44 0.00 -1.26 -5.05 105.19 102.73 3d85 n GLY 88 Ca -0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.58 3d85 n GLY 88 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3d85 s ILE 89 N -2.79 2.34 0.27 -0.61 2.07 0.40 -5.06 121.20 117.82 3d85 s ILE 89 Ca 0.00 -0.95 -0.30 0.00 -1.41 0.00 0.00 60.65 57.99 3d85 s ILE 89 Cb 0.00 -1.89 -0.10 0.00 0.13 0.00 0.00 42.46 40.60 3d85 s ILE 89 CO 0.00 0.56 1.44 0.26 -1.91 0.00 0.00 174.94 175.30 3d85 s TRP 90 N -0.05 2.97 0.71 3.50 0.52 -1.26 -0.64 118.94 124.70 3d85 s TRP 90 Ca -0.06 1.05 -0.16 0.00 0.02 0.00 0.00 56.10 56.95 3d85 s TRP 90 Cb -0.15 -3.84 0.03 0.00 -1.15 0.00 0.00 33.47 28.36 3d85 s TRP 90 CO 0.05 -2.69 1.26 -1.54 0.02 0.00 0.00 176.95 174.05 3d85 s SER 91 N 0.26 4.22 -0.36 2.95 1.04 -0.60 -4.90 113.70 116.31 3d85 s SER 91 Ca 0.58 2.52 0.14 0.00 0.48 0.00 0.00 55.95 59.67 3d85 s SER 91 Cb -0.42 -2.61 0.40 0.00 0.10 0.00 0.00 66.02 63.49 3d85 s SER 91 CO 0.46 -2.26 0.94 0.35 0.98 0.00 0.00 173.24 173.71 3d85 n THR 92 N -2.45 0.38 0.07 2.02 -2.24 -1.26 -4.67 114.28 106.13 3d85 n THR 92 Ca 0.15 -3.27 -0.11 0.00 -2.27 0.00 0.00 64.05 58.55 3d85 n THR 92 Cb 0.49 0.46 -0.13 0.00 -2.10 0.00 0.00 70.33 69.05 3d85 n THR 92 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 3d85 h ASP 93 N 2.88 0.17 -0.16 3.42 3.32 -1.99 -3.39 116.42 120.67 3d85 h ASP 93 Ca -0.05 -0.19 -0.02 0.00 0.02 0.00 0.00 57.03 56.79 3d85 h ASP 93 Cb 1.11 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.60 3d85 h ASP 93 CO 0.40 1.15 0.03 0.40 -1.72 0.00 0.00 179.24 179.50 3d85 h ILE 94 N 0.03 1.22 -3.02 0.35 2.04 -1.98 -3.45 117.51 112.70 3d85 h ILE 94 Ca -0.10 -0.70 -0.64 0.00 1.00 0.00 0.00 64.86 64.42 3d85 h ILE 94 Cb 1.88 1.38 -0.08 0.00 -0.74 0.00 0.00 36.82 39.26 3d85 h ILE 94 CO 0.15 0.21 -0.55 -0.76 0.00 0.00 0.00 178.15 177.20 3d85 s LEU 95 N -9.64 4.06 0.07 1.44 1.43 -1.26 -4.45 118.68 110.33 3d85 s LEU 95 Ca -0.14 0.18 -0.30 0.00 -1.03 0.00 0.00 54.13 52.84 3d85 s LEU 95 Cb 0.06 -2.52 -0.05 0.00 0.03 0.00 0.00 46.19 43.71 3d85 s LEU 95 CO 0.71 0.23 1.00 -0.54 0.23 0.00 0.00 176.35 177.98 3d85 s LYS 96 N -2.08 4.61 -0.22 1.70 1.02 -0.40 -5.00 119.74 119.38 3d85 s LYS 96 Ca 0.28 1.48 -0.29 0.00 0.02 0.00 0.00 55.97 57.46 3d85 s LYS 96 Cb -0.12 -3.40 -0.00 0.00 -0.52 0.00 0.00 37.83 33.78 3d85 s LYS 96 CO 0.19 0.06 1.22 0.34 -0.92 0.00 0.00 175.35 176.25 3d85 s ASP 97 N 0.47 6.90 0.00 2.83 -1.08 -1.26 -4.69 116.67 119.85 3d85 s ASP 97 Ca 0.50 1.47 0.28 0.00 -0.52 0.00 0.00 52.55 54.28 3d85 s ASP 97 Cb -0.23 -2.54 1.11 0.00 -1.46 0.00 0.00 42.92 39.80 3d85 s ASP 97 CO 0.29 -0.84 1.80 0.00 0.52 0.00 0.00 175.17 176.95 3d85 n GLN 98 N 6.76 0.45 0.00 4.34 6.02 0.29 -4.89 117.38 130.35 3d85 n GLN 98 Ca 0.14 -0.16 0.00 0.00 -0.01 0.00 0.00 57.00 56.97 3d85 n GLN 98 Cb 0.46 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.22 3d85 n GLN 98 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 3d85 n LYS 99 N -1.14 0.00 0.00 -1.09 5.02 -1.24 -4.94 118.16 114.77 3d85 n LYS 99 Ca 0.12 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.41 3d85 n LYS 99 Cb 0.30 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.31 3d85 n LYS 99 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 3d85 n ASN 103 N 0.00 -0.64 -2.55 4.39 6.94 -1.26 -4.85 115.26 117.29 3d85 n ASN 103 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.56 3d85 n ASN 103 Cb 0.00 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.42 3d85 n ASN 103 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 3d85 n LYS 104 N -0.64 0.00 -3.98 -3.83 4.01 -1.26 -4.84 118.16 107.62 3d85 n LYS 104 Ca 0.00 0.00 -0.33 0.00 -0.51 0.00 0.00 58.31 57.47 3d85 n LYS 104 Cb 0.00 -0.64 -0.14 0.00 -0.51 0.00 0.00 35.03 33.74 3d85 n LYS 104 CO 0.00 0.00 0.00 0.99 -1.11 0.00 0.00 177.40 177.28 3d85 s THR 105 N 1.21 2.51 -0.18 -0.18 2.01 -1.26 -4.97 115.64 114.78 3d85 s THR 105 Ca 0.00 -1.98 0.15 0.00 0.31 0.00 0.00 61.69 60.16 3d85 s THR 105 Cb 0.00 -2.68 -0.24 0.00 0.01 0.00 0.00 72.50 69.59 3d85 s THR 105 CO 0.00 -0.40 0.13 0.49 -0.69 0.00 0.00 174.62 174.15 3d85 n PHE 106 N 4.40 0.18 -4.18 4.92 3.72 -1.26 0.10 117.46 125.34 3d85 n PHE 106 Ca -0.04 0.06 -0.33 0.00 -0.05 0.00 0.00 57.45 57.09 3d85 n PHE 106 Cb 0.42 -1.03 -0.08 0.00 -0.94 0.00 0.00 39.48 37.85 3d85 n PHE 106 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 3d85 s LEU 107 N -5.74 3.70 -0.14 4.37 1.43 -1.26 -4.54 118.68 116.51 3d85 s LEU 107 Ca -0.12 0.06 0.02 0.00 -1.03 0.00 0.00 54.13 53.05 3d85 s LEU 107 Cb 0.07 -2.15 0.01 0.00 0.03 0.00 0.00 46.19 44.15 3d85 s LEU 107 CO 0.80 0.27 -0.19 -0.60 0.23 0.00 0.00 176.35 176.86 3d85 s ARG 108 N -1.69 2.74 0.04 1.70 3.52 -0.42 -4.96 118.95 119.88 3d85 s ARG 108 Ca 0.22 -0.75 0.08 0.00 -0.13 0.00 0.00 55.73 55.15 3d85 s ARG 108 Cb -0.12 -2.28 -0.03 0.00 -1.56 0.00 0.00 34.95 30.96 3d85 s ARG 108 CO 0.12 -0.07 -0.23 0.00 -0.81 0.00 0.00 175.30 174.31 3d85 s GLU 110 N -1.19 0.35 -0.03 0.00 2.02 -0.19 -4.85 118.70 114.80 3d85 s GLU 110 Ca 0.09 -0.63 0.03 0.00 0.02 0.00 0.00 54.97 54.49 3d85 s GLU 110 Cb -0.09 0.13 -0.00 0.00 0.10 0.00 0.00 34.13 34.26 3d85 s GLU 110 CO 0.02 -0.06 -0.13 0.00 0.02 0.00 0.00 175.26 175.11 3d85 s ALA 111 N -1.62 1.18 -0.76 5.21 0.00 -0.38 -1.34 121.76 124.05 3d85 s ALA 111 Ca -0.14 -0.52 0.24 0.00 0.00 0.00 0.00 51.96 51.54 3d85 s ALA 111 Cb -0.09 -0.40 0.40 0.00 0.00 0.00 0.00 23.12 23.04 3d85 s ALA 111 CO -0.01 0.22 1.35 1.63 0.00 0.00 0.00 175.76 178.94 3d85 n LYS 112 N 3.16 0.19 -3.32 0.00 5.02 -1.26 0.01 118.16 121.96 3d85 n LYS 112 Ca -0.18 0.05 -0.06 0.00 -2.02 0.00 0.00 58.31 56.10 3d85 n LYS 112 Cb 0.54 -1.61 0.02 0.00 -0.02 0.00 0.00 35.03 33.96 3d85 n LYS 112 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 3d85 n ASN 113 N -1.89 -1.79 -0.94 4.39 0.23 -1.26 -4.45 115.26 109.56 3d85 n ASN 113 Ca 0.04 -2.18 0.05 0.00 -0.53 0.00 0.00 54.58 51.96 3d85 n ASN 113 Cb 0.40 2.97 0.18 0.00 -2.08 0.00 0.00 39.78 41.25 3d85 n ASN 113 CO 0.00 0.00 0.00 -1.22 -0.93 0.00 0.00 177.26 175.11 3d85 n TYR 114 N -0.48 0.77 0.28 -2.53 4.02 -1.26 -4.51 117.16 113.45 3d85 n TYR 114 Ca -0.06 -0.30 0.14 0.00 -0.01 0.00 0.00 57.90 57.66 3d85 n TYR 114 Cb 0.49 -0.15 0.82 0.00 -0.02 0.00 0.00 39.34 40.47 3d85 n TYR 114 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 3d85 h SER 115 N 2.09 0.00 0.00 7.72 4.64 -1.95 -3.34 113.55 122.70 3d85 h SER 115 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3d85 h SER 115 Cb 0.86 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.95 3d85 h SER 115 CO 0.12 0.07 0.00 0.61 -0.87 0.00 0.00 176.83 176.76 3d85 n GLY 116 N -0.98 0.69 3.81 -0.77 0.00 -1.26 -4.69 105.19 101.98 3d85 n GLY 116 Ca -0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.63 3d85 n GLY 116 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3d85 s ARG 117 N -0.60 3.90 0.21 1.61 3.52 -1.26 -0.46 118.95 125.86 3d85 s ARG 117 Ca 0.00 0.09 -0.13 0.00 -0.13 0.00 0.00 55.73 55.56 3d85 s ARG 117 Cb 0.00 -3.29 0.00 0.00 -1.56 0.00 0.00 34.95 30.10 3d85 s ARG 117 CO 0.00 0.54 0.44 -0.59 -0.81 0.00 0.00 175.30 174.89 3d85 s PHE 118 N -0.45 0.24 0.01 5.12 -0.71 -0.26 -4.43 117.98 117.49 3d85 s PHE 118 Ca 0.17 -0.59 0.07 0.00 -1.04 0.00 0.00 56.93 55.54 3d85 s PHE 118 Cb -0.14 0.19 -0.02 0.00 -1.21 0.00 0.00 43.02 41.84 3d85 s PHE 118 CO 0.06 -0.90 -0.21 0.99 -1.34 0.00 0.00 175.22 173.82 3d85 s THR 119 N -3.96 1.67 0.05 -4.49 2.01 -0.45 -0.69 115.64 109.77 3d85 s THR 119 Ca 0.17 -1.02 0.07 0.00 0.31 0.00 0.00 61.69 61.22 3d85 s THR 119 Cb 0.00 -1.41 -0.03 0.00 0.01 0.00 0.00 72.50 71.07 3d85 s THR 119 CO 0.03 0.36 -0.21 0.00 -0.69 0.00 0.00 174.62 174.12 3d85 s TRP 121 N -0.82 1.15 0.18 0.00 0.51 0.36 -0.95 118.94 119.37 3d85 s TRP 121 Ca 0.08 -0.56 -0.13 0.00 -2.12 0.00 0.00 56.10 53.37 3d85 s TRP 121 Cb -0.09 -0.63 0.01 0.00 -0.81 0.00 0.00 33.47 31.95 3d85 s TRP 121 CO 0.02 0.04 0.40 1.67 -0.51 0.00 0.00 176.95 178.57 3d85 s TRP 122 N -1.90 0.12 0.11 -1.98 -2.14 -0.70 -1.30 118.94 111.15 3d85 s TRP 122 Ca 0.02 -0.48 0.09 0.00 2.66 0.00 0.00 56.10 58.40 3d85 s TRP 122 Cb -0.06 0.17 -0.04 0.00 -3.10 0.00 0.00 33.47 30.44 3d85 s TRP 122 CO 0.01 -0.81 -0.23 -0.51 -2.66 0.00 0.00 176.95 172.75 3d85 s LEU 123 N -2.91 2.31 0.04 -4.66 1.43 -1.26 -1.11 118.68 112.51 3d85 s LEU 123 Ca 0.13 -0.71 -0.13 0.00 -1.03 0.00 0.00 54.13 52.39 3d85 s LEU 123 Cb 0.01 -0.99 0.02 0.00 0.03 0.00 0.00 46.19 45.26 3d85 s LEU 123 CO -0.02 0.10 0.28 0.28 0.23 0.00 0.00 176.35 177.21 3d85 s THR 124 N -1.14 0.09 -0.58 5.49 -1.32 -0.27 -1.27 115.64 116.64 3d85 s THR 124 Ca 0.09 -0.72 0.23 0.00 -1.21 0.00 0.00 61.69 60.08 3d85 s THR 124 Cb -0.10 -0.91 -0.05 0.00 -1.51 0.00 0.00 72.50 69.93 3d85 s THR 124 CO 0.05 -0.40 1.13 0.35 -2.21 0.00 0.00 174.62 173.54 3d85 n THR 125 N 0.64 0.27 -2.55 5.08 -2.24 -1.26 -0.44 114.28 113.79 3d85 n THR 125 Ca -0.19 -0.28 -0.41 0.00 -2.27 0.00 0.00 64.05 60.89 3d85 n THR 125 Cb 0.59 0.03 -0.04 0.00 -2.10 0.00 0.00 70.33 68.82 3d85 n THR 125 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3d85 s ILE 126 N -3.21 4.17 -0.02 2.28 1.01 -1.26 -4.88 121.20 119.29 3d85 s ILE 126 Ca 0.04 1.70 0.14 0.00 0.00 0.00 0.00 60.65 62.53 3d85 s ILE 126 Cb 0.14 -4.09 -0.21 0.00 0.01 0.00 0.00 42.46 38.31 3d85 s ILE 126 CO 0.77 0.21 0.30 -1.54 0.00 0.00 0.00 174.94 174.68 3d85 n SER 127 N 3.16 1.84 -4.17 3.58 3.41 -1.26 -4.81 113.62 115.37 3d85 n SER 127 Ca 0.05 0.00 -0.11 0.00 -0.26 0.00 0.00 58.87 58.56 3d85 n SER 127 Cb 0.47 1.62 -0.10 0.00 -0.26 0.00 0.00 64.21 65.94 3d85 n SER 127 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 3d85 s THR 128 N -2.95 0.67 -1.33 6.66 -1.32 -1.26 -4.90 115.64 111.21 3d85 s THR 128 Ca -0.05 -1.93 -0.03 0.00 -1.21 0.00 0.00 61.69 58.47 3d85 s THR 128 Cb 0.09 -1.71 0.00 0.00 -1.51 0.00 0.00 72.50 69.37 3d85 s THR 128 CO 0.57 -0.85 0.34 0.47 -2.21 0.00 0.00 174.62 172.94 3d85 n ASP 129 N -0.05 -5.21 -4.30 8.08 8.00 -1.26 -4.81 116.55 117.00 3d85 n ASP 129 Ca -0.12 -0.17 -0.32 0.00 0.71 0.00 0.00 54.79 54.90 3d85 n ASP 129 Cb 0.61 -4.13 -0.16 0.00 -0.02 0.00 0.00 41.12 37.42 3d85 n ASP 129 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3d85 s LEU 130 N -5.33 2.19 0.05 0.64 1.43 -1.26 -1.11 118.68 115.29 3d85 s LEU 130 Ca 0.17 -0.46 0.01 0.00 -1.03 0.00 0.00 54.13 52.82 3d85 s LEU 130 Cb -0.07 -1.41 -0.03 0.00 0.03 0.00 0.00 46.19 44.71 3d85 s LEU 130 CO 0.21 0.25 -0.05 0.42 0.23 0.00 0.00 176.35 177.41 3d85 s THR 131 N -0.21 0.37 0.03 5.49 -4.23 -0.72 -5.01 115.64 111.35 3d85 s THR 131 Ca -0.02 -1.31 0.00 0.00 -1.18 0.00 0.00 61.69 59.19 3d85 s THR 131 Cb -0.13 -0.85 -0.02 0.00 1.34 0.00 0.00 72.50 72.83 3d85 s THR 131 CO 0.03 -0.62 -0.04 -0.36 -0.54 0.00 0.00 174.62 173.10 3d85 s PHE 132 N -2.26 0.36 -0.02 3.99 0.08 -1.26 -1.12 117.98 117.74 3d85 s PHE 132 Ca -0.05 -0.59 0.00 0.00 0.12 0.00 0.00 56.93 56.41 3d85 s PHE 132 Cb -0.04 -0.25 0.02 0.00 -0.57 0.00 0.00 43.02 42.19 3d85 s PHE 132 CO -0.03 -0.20 0.01 0.45 -0.10 0.00 0.00 175.22 175.35 3d85 s SER 133 N -1.67 0.28 -0.05 1.36 0.15 -0.58 -4.66 113.70 108.53 3d85 s SER 133 Ca -0.12 -0.01 0.06 0.00 0.70 0.00 0.00 55.95 56.58 3d85 s SER 133 Cb -0.08 -0.14 -0.01 0.00 -1.71 0.00 0.00 66.02 64.07 3d85 s SER 133 CO -0.02 -0.09 -0.24 -0.69 1.20 0.00 0.00 173.24 173.41 3d85 s VAL 134 N 0.85 2.19 0.11 4.45 1.01 -1.26 -0.50 120.40 127.25 3d85 s VAL 134 Ca -0.08 -1.03 0.03 0.00 0.00 0.00 0.00 61.98 60.90 3d85 s VAL 134 Cb -0.11 -1.79 -0.04 0.00 0.00 0.00 0.00 36.38 34.43 3d85 s VAL 134 CO -0.02 0.57 -0.08 -0.54 0.00 0.00 0.00 175.10 175.03 3d85 s LYS 135 N -0.32 0.90 0.08 2.72 -0.14 -0.67 -4.77 119.74 117.53 3d85 s LYS 135 Ca 0.01 -1.32 -0.22 0.00 -1.36 0.00 0.00 55.97 53.08 3d85 s LYS 135 Cb -0.12 -0.39 0.05 0.00 -1.68 0.00 0.00 37.83 35.68 3d85 s LYS 135 CO 0.02 0.03 0.52 0.45 -0.76 0.00 0.00 175.35 175.61 3d85 s SER 136 N -2.93 -0.44 0.14 2.83 0.15 -1.26 -0.71 113.70 111.48 3d85 s SER 136 Ca 0.12 0.08 -0.23 0.00 0.70 0.00 0.00 55.95 56.62 3d85 s SER 136 Cb 0.03 0.51 0.07 0.00 -1.71 0.00 0.00 66.02 64.91 3d85 s SER 136 CO -0.02 -0.79 0.59 -0.94 1.20 0.00 0.00 173.24 173.28 3d85 s SER 137 N -2.23 -0.55 -0.28 5.45 1.04 -0.90 -3.55 113.70 112.68 3d85 s SER 137 Ca -0.03 0.01 -0.15 0.00 0.48 0.00 0.00 55.95 56.26 3d85 s SER 137 Cb -0.00 0.59 -0.03 0.00 0.10 0.00 0.00 66.02 66.67 3d85 s SER 137 CO -0.05 -0.94 0.38 -0.60 0.98 0.00 0.00 173.24 173.01 3d85 s ARG 138 N -3.60 3.94 0.00 4.02 3.52 -0.25 -0.70 118.95 125.87 3d85 s ARG 138 Ca 0.00 -0.03 0.00 0.00 -0.13 0.00 0.00 55.73 55.58 3d85 s ARG 138 Cb -0.01 -3.68 0.00 0.00 -1.56 0.00 0.00 34.95 29.70 3d85 s ARG 138 CO -0.12 -0.33 0.00 0.41 -0.81 0.00 0.00 175.30 174.45 3d85 n GLY 139 N 4.73 -1.42 0.15 8.12 0.00 -0.02 -1.96 105.19 114.79 3d85 n GLY 139 Ca -0.08 -1.57 -0.08 0.00 0.00 0.00 0.00 46.02 44.28 3d85 n GLY 139 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3d85 n SER 140 N -1.69 2.77 -4.72 1.61 7.64 -1.26 -4.50 113.62 113.48 3d85 n SER 140 Ca 0.00 -0.02 -0.40 0.00 1.01 0.00 0.00 58.87 59.45 3d85 n SER 140 Cb 0.00 -0.20 -0.04 0.00 -1.01 0.00 0.00 64.21 62.96 3d85 n SER 140 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 3d85 s SER 141 N -5.20 7.12 -1.49 6.43 0.01 -1.26 -3.65 113.70 115.66 3d85 s SER 141 Ca -0.15 1.35 -0.11 0.00 1.31 0.00 0.00 55.95 58.36 3d85 s SER 141 Cb 0.04 -2.46 0.07 0.00 0.21 0.00 0.00 66.02 63.88 3d85 s SER 141 CO 0.24 -0.14 0.87 -0.67 0.41 0.00 0.00 173.24 173.95 3d85 n ASP 142 N 3.71 -3.64 -4.57 2.44 -0.08 -1.26 -4.82 116.55 108.32 3d85 n ASP 142 Ca 0.01 -0.82 -0.46 0.00 -1.51 0.00 0.00 54.79 52.01 3d85 n ASP 142 Cb 0.51 -3.77 -0.02 0.00 2.34 0.00 0.00 41.12 40.18 3d85 n ASP 142 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 3d85 n PRO 143 N -4.56 1.21 -4.40 -0.67 -0.04 -1.24 -4.96 135.00 120.33 3d85 n PRO 143 Ca -0.05 0.42 -0.35 0.00 -0.04 0.00 0.00 63.50 63.49 3d85 n PRO 143 Cb 0.56 -1.80 -0.10 0.00 -0.04 0.00 0.00 33.50 32.12 3d85 n PRO 143 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 3d85 s GLN 144 N -1.19 3.07 0.25 0.54 -0.21 -0.83 -4.93 119.66 116.37 3d85 s GLN 144 Ca 0.63 -0.44 -0.31 0.00 0.02 0.00 0.00 55.36 55.26 3d85 s GLN 144 Cb -0.76 -2.79 -0.12 0.00 1.00 0.00 0.00 33.01 30.34 3d85 s GLN 144 CO 0.57 0.62 1.62 0.41 -2.12 0.00 0.00 175.29 176.40 3d85 n GLY 145 N 2.38 1.34 3.14 3.09 0.00 -1.26 -1.09 105.19 112.79 3d85 n GLY 145 Ca -0.18 0.53 -0.26 0.00 0.00 0.00 0.00 46.02 46.11 3d85 n GLY 145 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3d85 s VAL 146 N 0.43 1.44 -0.14 1.61 1.01 -1.23 -0.89 120.40 122.63 3d85 s VAL 146 Ca 0.69 -0.73 -0.03 0.00 0.00 0.00 0.00 61.98 61.90 3d85 s VAL 146 Cb -0.53 -1.23 -0.03 0.00 0.00 0.00 0.00 36.38 34.59 3d85 s VAL 146 CO 0.43 0.41 -0.03 -0.89 0.00 0.00 0.00 175.10 175.02 3d85 s THR 147 N -0.05 3.98 0.10 3.92 2.01 -0.10 -4.47 115.64 121.03 3d85 s THR 147 Ca -0.02 -0.34 0.10 0.00 0.31 0.00 0.00 61.69 61.74 3d85 s THR 147 Cb -0.11 -2.73 -0.04 0.00 0.01 0.00 0.00 72.50 69.64 3d85 s THR 147 CO 0.02 0.52 -0.25 0.00 -0.69 0.00 0.00 174.62 174.22 3d85 n GLY 149 N 1.16 -0.01 3.78 0.00 0.00 -0.23 -5.00 105.19 104.90 3d85 n GLY 149 Ca -0.17 -1.91 -0.36 0.00 0.00 0.00 0.00 46.02 43.58 3d85 n GLY 149 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d85 s ALA 150 N -3.37 2.91 0.31 4.61 0.00 -1.26 -4.67 121.76 120.28 3d85 s ALA 150 Ca 0.51 0.76 -0.17 0.00 0.00 0.00 0.00 51.96 53.07 3d85 s ALA 150 Cb -0.02 -3.31 -0.09 0.00 0.00 0.00 0.00 23.12 19.69 3d85 s ALA 150 CO 0.35 -0.48 0.76 0.00 0.00 0.00 0.00 175.76 176.39 3d85 s ALA 151 N -1.75 3.31 0.06 0.00 0.00 -1.26 -4.68 121.76 117.44 3d85 s ALA 151 Ca 0.65 0.12 -0.15 0.00 0.00 0.00 0.00 51.96 52.58 3d85 s ALA 151 Cb -0.22 -2.83 0.03 0.00 0.00 0.00 0.00 23.12 20.10 3d85 s ALA 151 CO 0.27 0.31 0.34 0.95 0.00 0.00 0.00 175.76 177.63 3d85 s THR 152 N -1.88 0.08 0.53 0.00 -4.23 -0.61 -4.96 115.64 104.56 3d85 s THR 152 Ca 0.52 -0.62 -0.22 0.00 -1.18 0.00 0.00 61.69 60.19 3d85 s THR 152 Cb -0.12 -0.99 -0.06 0.00 1.34 0.00 0.00 72.50 72.67 3d85 s THR 152 CO 0.18 -0.34 1.31 -0.11 -0.54 0.00 0.00 174.62 175.11 3d85 n LEU 153 N 0.42 5.09 0.00 4.79 7.94 -1.26 -1.78 117.00 132.21 3d85 n LEU 153 Ca -0.18 0.98 0.00 0.00 -1.11 0.00 0.00 56.01 55.70 3d85 n LEU 153 Cb 0.60 -1.55 0.00 0.00 0.53 0.00 0.00 43.42 43.01 3d85 n LEU 153 CO 0.20 -0.71 -0.12 -1.54 -1.11 0.00 0.00 177.39 174.11 3d85 n SER 154 N -0.76 1.22 -3.65 1.96 3.41 0.82 -4.81 113.62 111.82 3d85 n SER 154 Ca 0.10 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 58.62 3d85 n SER 154 Cb 0.44 0.18 -0.02 0.00 -0.26 0.00 0.00 64.21 64.55 3d85 n SER 154 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3d85 s ALA 155 N -0.90 -1.47 -0.00 7.33 0.00 -1.02 -5.01 121.76 120.68 3d85 s ALA 155 Ca 0.00 0.16 -0.01 0.00 0.00 0.00 0.00 51.96 52.11 3d85 s ALA 155 Cb 0.00 0.80 -0.00 0.00 0.00 0.00 0.00 23.12 23.92 3d85 s ALA 155 CO 0.00 -0.91 0.02 -2.00 0.00 0.00 0.00 175.76 172.87 3d85 s GLU 156 N -3.71 0.08 0.15 0.00 2.12 -1.26 -1.14 118.70 114.95 3d85 s GLU 156 Ca 0.07 -0.08 -0.09 0.00 0.36 0.00 0.00 54.97 55.23 3d85 s GLU 156 Cb -0.03 0.03 -0.01 0.00 0.26 0.00 0.00 34.13 34.38 3d85 s GLU 156 CO -0.03 -0.01 0.26 -0.98 -0.54 0.00 0.00 175.26 173.96 3d85 s ARG 157 N -0.26 1.11 0.18 4.30 1.70 0.00 -5.00 118.95 120.98 3d85 s ARG 157 Ca -0.03 -1.16 -0.04 0.00 -0.47 0.00 0.00 55.73 54.03 3d85 s ARG 157 Cb -0.02 0.37 -0.05 0.00 -0.57 0.00 0.00 34.95 34.67 3d85 s ARG 157 CO -0.00 -0.40 0.42 0.08 -1.08 0.00 0.00 175.30 174.32 3d85 s VAL 158 N -3.96 5.14 0.00 4.99 1.01 -1.26 -0.23 120.40 126.09 3d85 s VAL 158 Ca 0.16 -0.02 0.00 0.00 0.00 0.00 0.00 61.98 62.12 3d85 s VAL 158 Cb 0.04 -3.66 0.00 0.00 0.00 0.00 0.00 36.38 32.76 3d85 s VAL 158 CO -0.01 -0.07 0.00 -2.11 0.00 0.00 0.00 175.10 172.91 3d85 n ARG 159 N -0.23 0.00 -1.96 2.72 0.00 -1.26 -4.83 116.66 111.09 3d85 n ARG 159 Ca -0.03 0.25 0.00 0.00 -0.00 0.00 0.00 57.85 58.07 3d85 n ARG 159 Cb 0.52 -0.74 0.00 0.00 -0.00 0.00 0.00 32.46 32.24 3d85 n ARG 159 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.63 177.90 3d85 n ASN 162 N -2.22 -9.75 -4.85 2.89 2.04 -1.26 -5.13 115.26 96.99 3d85 n ASN 162 Ca 0.00 1.41 -0.29 0.00 -0.44 0.00 0.00 54.58 55.27 3d85 n ASN 162 Cb 0.00 -5.31 -0.05 0.00 -2.53 0.00 0.00 39.78 31.89 3d85 n ASN 162 CO 0.00 0.00 0.00 -0.54 -0.44 0.00 0.00 177.26 176.28 3d85 s LYS 163 N -1.92 3.14 -0.03 -3.83 1.02 -1.26 -5.04 119.74 111.81 3d85 s LYS 163 Ca 0.00 -0.66 0.02 0.00 0.02 0.00 0.00 55.97 55.35 3d85 s LYS 163 Cb 0.00 -2.83 0.01 0.00 -0.52 0.00 0.00 37.83 34.49 3d85 s LYS 163 CO 0.00 0.55 -0.09 -1.83 -0.92 0.00 0.00 175.35 173.05 3d85 s GLU 164 N -2.79 1.07 -0.11 1.68 -1.05 0.68 -4.63 118.70 113.55 3d85 s GLU 164 Ca 0.32 -0.31 -0.03 0.00 -0.15 0.00 0.00 54.97 54.80 3d85 s GLU 164 Cb -0.12 -0.98 -0.03 0.00 -0.44 0.00 0.00 34.13 32.56 3d85 s GLU 164 CO 0.25 0.09 -0.01 0.71 0.95 0.00 0.00 175.26 177.26 3d85 s TYR 165 N 0.30 3.13 -0.13 4.83 1.51 0.42 -0.82 117.35 126.58 3d85 s TYR 165 Ca -0.05 0.07 0.00 0.00 -1.01 0.00 0.00 57.07 56.08 3d85 s TYR 165 Cb -0.10 -1.84 -0.01 0.00 -0.11 0.00 0.00 41.96 39.90 3d85 s TYR 165 CO 0.01 0.33 -0.15 -2.00 -1.11 0.00 0.00 175.55 172.63 3d85 s GLU 166 N -0.51 3.31 0.21 -0.62 2.12 -0.29 -1.11 118.70 121.81 3d85 s GLU 166 Ca 0.09 -0.72 0.08 0.00 0.36 0.00 0.00 54.97 54.78 3d85 s GLU 166 Cb -0.12 -2.60 -0.04 0.00 0.26 0.00 0.00 34.13 31.63 3d85 s GLU 166 CO 0.02 0.15 0.03 0.71 -0.54 0.00 0.00 175.26 175.64 3d85 s TYR 167 N 0.49 2.85 0.09 5.30 1.51 -0.27 -0.12 117.35 127.21 3d85 s TYR 167 Ca -0.10 -0.15 -0.13 0.00 -1.01 0.00 0.00 57.07 55.68 3d85 s TYR 167 Cb -0.16 -1.33 0.02 0.00 -0.11 0.00 0.00 41.96 40.37 3d85 s TYR 167 CO 0.04 0.55 0.29 -1.54 -1.11 0.00 0.00 175.55 173.79 3d85 s SER 168 N -3.30 -0.07 0.02 2.29 1.04 -0.73 -1.72 113.70 111.24 3d85 s SER 168 Ca 0.30 -0.43 -0.11 0.00 0.48 0.00 0.00 55.95 56.19 3d85 s SER 168 Cb -0.08 0.39 0.01 0.00 0.10 0.00 0.00 66.02 66.44 3d85 s SER 168 CO 0.20 -0.75 0.22 0.54 0.98 0.00 0.00 173.24 174.43 3d85 s VAL 169 N -3.56 0.09 -0.05 5.02 0.11 -0.12 -1.58 120.40 120.31 3d85 s VAL 169 Ca 0.02 -0.73 0.06 0.00 -2.93 0.00 0.00 61.98 58.40 3d85 s VAL 169 Cb 0.03 -0.73 -0.01 0.00 -1.53 0.00 0.00 36.38 34.13 3d85 s VAL 169 CO -0.10 -0.40 -0.23 -1.61 -3.33 0.00 0.00 175.10 169.43 3d85 s GLU 170 N -2.00 2.26 0.13 1.54 2.02 -1.26 -1.03 118.70 120.36 3d85 s GLU 170 Ca -0.09 -0.84 0.06 0.00 0.02 0.00 0.00 54.97 54.11 3d85 s GLU 170 Cb -0.04 -1.98 -0.04 0.00 0.10 0.00 0.00 34.13 32.18 3d85 s GLU 170 CO -0.01 0.39 -0.13 0.00 0.02 0.00 0.00 175.26 175.53 3d85 s GLN 172 N -2.92 0.06 0.11 0.00 2.00 0.10 -1.10 119.66 117.91 3d85 s GLN 172 Ca 0.11 0.24 -0.31 0.00 -2.00 0.00 0.00 55.36 53.39 3d85 s GLN 172 Cb -0.03 -0.45 -0.09 0.00 0.80 0.00 0.00 33.01 33.24 3d85 s GLN 172 CO 0.03 -0.24 1.68 -2.00 -0.50 0.00 0.00 175.29 174.26 3d85 s GLU 173 N 1.56 4.18 0.13 1.67 2.12 0.39 -0.92 118.70 127.83 3d85 s GLU 173 Ca -0.03 2.42 -0.23 0.00 0.36 0.00 0.00 54.97 57.50 3d85 s GLU 173 Cb -0.13 -3.46 -0.01 0.00 0.26 0.00 0.00 34.13 30.79 3d85 s GLU 173 CO -0.03 -0.73 1.65 -0.44 -0.54 0.00 0.00 175.26 175.17 3d85 h ASP 174 N 7.92 -0.58 -3.72 -1.70 3.32 -1.36 -3.32 116.42 116.97 3d85 h ASP 174 Ca -0.43 0.10 -0.63 0.00 0.02 0.00 0.00 57.03 56.09 3d85 h ASP 174 Cb 1.21 0.27 -0.41 0.00 0.22 0.00 0.00 39.33 40.61 3d85 h ASP 174 CO 0.93 -0.24 -0.63 -0.55 -1.72 0.00 0.00 179.24 177.04 3d85 s SER 175 N -5.02 4.36 0.38 6.45 0.15 -1.26 -5.10 113.70 113.65 3d85 s SER 175 Ca -0.15 -3.31 -0.12 0.00 0.70 0.00 0.00 55.95 53.07 3d85 s SER 175 Cb 0.11 -1.54 -0.07 0.00 -1.71 0.00 0.00 66.02 62.80 3d85 s SER 175 CO 0.67 -0.17 0.76 0.00 1.20 0.00 0.00 173.24 175.70 3d85 s ALA 176 N -0.68 3.34 -0.41 5.45 0.00 -1.25 -5.06 121.76 123.15 3d85 s ALA 176 Ca 0.21 -0.12 0.01 0.00 0.00 0.00 0.00 51.96 52.06 3d85 s ALA 176 Cb -0.16 -2.73 0.13 0.00 0.00 0.00 0.00 23.12 20.36 3d85 s ALA 176 CO -0.07 0.09 0.22 0.00 0.00 0.00 0.00 175.76 176.00 3d85 h PRO 178 N 6.90 0.68 0.00 0.00 0.11 -1.88 -2.29 132.00 135.51 3d85 h PRO 178 Ca -0.00 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 66.03 3d85 h PRO 178 Cb 0.94 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 31.90 3d85 h PRO 178 CO 0.43 0.45 -0.16 0.00 -0.21 0.00 0.00 178.00 178.51 3d85 h ALA 179 N 1.61 0.91 -2.35 -0.75 0.00 -1.95 -3.47 119.26 113.25 3d85 h ALA 179 Ca 0.50 -0.14 -0.52 0.00 0.00 0.00 0.00 54.91 54.75 3d85 h ALA 179 Cb 0.84 -0.03 0.16 0.00 0.00 0.00 0.00 17.79 18.77 3d85 h ALA 179 CO -0.26 0.20 0.29 0.00 0.00 0.00 0.00 179.25 179.47 3d85 s ALA 180 N -3.19 1.89 -0.39 0.00 0.00 -0.87 -4.99 121.76 114.22 3d85 s ALA 180 Ca 0.05 0.51 -0.22 0.00 0.00 0.00 0.00 51.96 52.30 3d85 s ALA 180 Cb 0.06 -3.38 0.01 0.00 0.00 0.00 0.00 23.12 19.81 3d85 s ALA 180 CO 0.68 -2.21 0.72 -2.00 0.00 0.00 0.00 175.76 172.95 3d85 s GLU 181 N -4.62 3.60 0.21 0.00 2.12 -1.26 -5.02 118.70 113.72 3d85 s GLU 181 Ca 0.66 0.05 -0.30 0.00 0.36 0.00 0.00 54.97 55.74 3d85 s GLU 181 Cb -0.21 -3.85 -0.09 0.00 0.26 0.00 0.00 34.13 30.23 3d85 s GLU 181 CO 0.55 -0.89 1.36 -1.21 -0.54 0.00 0.00 175.26 174.53 3d85 s GLU 182 N 2.98 4.34 -0.05 4.30 2.02 -1.26 -4.92 118.70 126.11 3d85 s GLU 182 Ca 0.28 2.14 0.10 0.00 0.02 0.00 0.00 54.97 57.50 3d85 s GLU 182 Cb -0.13 -3.17 -0.14 0.00 0.10 0.00 0.00 34.13 30.78 3d85 s GLU 182 CO 0.18 -0.33 0.14 -1.13 0.02 0.00 0.00 175.26 174.14 3d85 n SER 183 N 2.69 2.62 -4.37 -0.19 3.41 -1.26 -4.98 113.62 111.53 3d85 n SER 183 Ca 0.07 0.00 -0.32 0.00 -0.26 0.00 0.00 58.87 58.36 3d85 n SER 183 Cb 0.42 1.14 -0.15 0.00 -0.26 0.00 0.00 64.21 65.36 3d85 n SER 183 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3d85 s LEU 184 N -4.18 2.39 0.70 1.04 1.43 -1.26 -5.12 118.68 113.68 3d85 s LEU 184 Ca -0.04 -0.36 -0.10 0.00 -1.03 0.00 0.00 54.13 52.59 3d85 s LEU 184 Cb 0.05 -1.46 0.02 0.00 0.03 0.00 0.00 46.19 44.83 3d85 s LEU 184 CO 0.42 0.29 1.08 -2.16 0.23 0.00 0.00 176.35 176.20 3d85 s PRO 185 N -0.41 2.72 0.25 1.29 0.04 -1.26 -4.63 135.00 133.00 3d85 s PRO 185 Ca 0.04 0.31 -0.28 0.00 0.04 0.00 0.00 61.00 61.11 3d85 s PRO 185 Cb -0.12 -2.06 -0.09 0.00 0.04 0.00 0.00 34.50 32.27 3d85 s PRO 185 CO 0.02 -1.07 0.91 0.42 0.04 0.00 0.00 177.00 177.32 3d85 s ILE 186 N -3.33 4.16 -0.06 0.56 -1.09 0.72 -0.84 121.20 121.32 3d85 s ILE 186 Ca 0.58 1.94 0.05 0.00 -2.23 0.00 0.00 60.65 60.99 3d85 s ILE 186 Cb -0.11 -4.21 -0.02 0.00 -1.58 0.00 0.00 42.46 36.54 3d85 s ILE 186 CO 0.50 0.41 -0.20 -1.61 -1.23 0.00 0.00 174.94 172.81 3d85 s GLU 187 N -1.40 2.64 -0.06 2.79 0.41 0.12 -1.33 118.70 121.88 3d85 s GLU 187 Ca 0.42 -0.81 0.05 0.00 -0.41 0.00 0.00 54.97 54.22 3d85 s GLU 187 Cb -0.24 -2.29 -0.01 0.00 -1.78 0.00 0.00 34.13 29.82 3d85 s GLU 187 CO 0.29 0.43 -0.21 0.08 -0.49 0.00 0.00 175.26 175.36 3d85 s VAL 188 N -0.27 1.75 -0.07 2.63 1.01 -0.02 -2.13 120.40 123.31 3d85 s VAL 188 Ca 0.00 -0.89 0.02 0.00 0.00 0.00 0.00 61.98 61.12 3d85 s VAL 188 Cb -0.13 -1.49 0.01 0.00 0.00 0.00 0.00 36.38 34.77 3d85 s VAL 188 CO 0.03 0.49 -0.12 -0.32 0.00 0.00 0.00 175.10 175.18 3d85 s MET 189 N 0.00 1.75 -0.21 2.72 1.75 0.11 -1.08 119.30 124.33 3d85 s MET 189 Ca -0.06 -0.42 -0.04 0.00 -1.25 0.00 0.00 55.69 53.92 3d85 s MET 189 Cb -0.13 -1.45 -0.01 0.00 2.84 0.00 0.00 34.83 36.08 3d85 s MET 189 CO 0.04 0.02 -0.05 0.08 -0.65 0.00 0.00 175.02 174.46 3d85 s VAL 190 N 0.70 3.40 -0.23 10.11 1.01 0.50 -1.68 120.40 134.21 3d85 s VAL 190 Ca -0.14 -0.49 -0.21 0.00 0.00 0.00 0.00 61.98 61.14 3d85 s VAL 190 Cb -0.16 -2.54 -0.02 0.00 0.00 0.00 0.00 36.38 33.67 3d85 s VAL 190 CO 0.03 0.43 0.65 -1.81 0.00 0.00 0.00 175.10 174.41 3d85 s ASP 191 N 1.37 6.65 -0.08 3.32 1.01 0.35 -1.19 116.67 128.09 3d85 s ASP 191 Ca 0.04 0.80 0.02 0.00 0.71 0.00 0.00 52.55 54.12 3d85 s ASP 191 Cb -0.14 -2.35 -0.02 0.00 1.01 0.00 0.00 42.92 41.41 3d85 s ASP 191 CO -0.02 -0.35 -0.13 0.00 0.21 0.00 0.00 175.17 174.88 3d85 s ALA 192 N 2.30 2.66 -0.12 5.23 0.00 0.07 -1.52 121.76 130.38 3d85 s ALA 192 Ca 0.28 -0.94 -0.01 0.00 0.00 0.00 0.00 51.96 51.29 3d85 s ALA 192 Cb -0.16 -1.08 0.03 0.00 0.00 0.00 0.00 23.12 21.92 3d85 s ALA 192 CO 0.09 0.43 -0.03 0.08 0.00 0.00 0.00 175.76 176.33 3d85 s VAL 193 N -0.30 0.74 -0.29 0.00 1.01 -0.28 -1.31 120.40 119.98 3d85 s VAL 193 Ca 0.02 -0.24 -0.00 0.00 0.00 0.00 0.00 61.98 61.77 3d85 s VAL 193 Cb -0.13 -0.90 0.05 0.00 0.00 0.00 0.00 36.38 35.41 3d85 s VAL 193 CO 0.03 0.21 -0.03 -2.28 0.00 0.00 0.00 175.10 173.03 3d85 s HIS 194 N 1.81 3.27 0.00 5.22 2.46 -0.12 -1.76 115.29 126.17 3d85 s HIS 194 Ca 0.03 -2.01 0.00 0.00 0.47 0.00 0.00 55.06 53.55 3d85 s HIS 194 Cb -0.13 -2.08 0.00 0.00 -0.13 0.00 0.00 32.58 30.23 3d85 s HIS 194 CO -0.07 -0.83 0.00 1.63 -2.47 0.00 0.00 174.74 173.00 3d85 n LYS 195 N 4.57 0.00 -0.16 2.88 5.02 -0.26 -0.82 118.16 129.39 3d85 n LYS 195 Ca -0.13 0.00 0.05 0.00 -2.02 0.00 0.00 58.31 56.21 3d85 n LYS 195 Cb 0.43 0.00 0.12 0.00 -0.02 0.00 0.00 35.03 35.56 3d85 n LYS 195 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3d85 n LEU 196 N 0.00 2.75 -4.61 -0.35 4.77 -1.26 -4.98 117.00 113.32 3d85 n LEU 196 Ca 0.00 -2.28 -0.37 0.00 -0.03 0.00 0.00 56.01 53.33 3d85 n LEU 196 Cb 0.00 -0.23 -0.10 0.00 -2.33 0.00 0.00 43.42 40.75 3d85 n LEU 196 CO 0.00 0.65 -0.18 -0.75 -1.33 0.00 0.00 177.39 175.78 3d85 s LYS 197 N -1.49 3.99 -0.04 3.23 2.20 0.00 -0.62 119.74 127.01 3d85 s LYS 197 Ca 0.20 -0.31 -0.05 0.00 -0.36 0.00 0.00 55.97 55.45 3d85 s LYS 197 Cb 0.14 -3.56 -0.04 0.00 -1.51 0.00 0.00 37.83 32.85 3d85 s LYS 197 CO 0.09 -0.05 0.19 -0.47 -0.36 0.00 0.00 175.35 174.75 3d85 s TYR 198 N 1.37 3.58 0.03 4.03 5.04 0.11 -0.94 117.35 130.56 3d85 s TYR 198 Ca 0.07 0.48 -0.13 0.00 -2.44 0.00 0.00 57.07 55.05 3d85 s TYR 198 Cb -0.15 -1.92 0.02 0.00 0.35 0.00 0.00 41.96 40.27 3d85 s TYR 198 CO 0.07 0.67 0.29 -1.21 -1.34 0.00 0.00 175.55 174.03 3d85 s GLU 199 N -1.57 0.76 -0.02 4.97 2.02 -0.42 -4.46 118.70 119.98 3d85 s GLU 199 Ca 0.23 -0.46 0.05 0.00 0.02 0.00 0.00 54.97 54.82 3d85 s GLU 199 Cb -0.13 0.33 -0.01 0.00 0.10 0.00 0.00 34.13 34.42 3d85 s GLU 199 CO 0.13 -0.23 -0.17 -1.14 0.02 0.00 0.00 175.26 173.87 3d85 s GLN 200 N -2.28 1.43 0.05 1.61 0.74 -1.26 -0.75 119.66 119.20 3d85 s GLN 200 Ca -0.07 -0.60 0.04 0.00 0.05 0.00 0.00 55.36 54.78 3d85 s GLN 200 Cb -0.02 -1.35 -0.02 0.00 1.10 0.00 0.00 33.01 32.71 3d85 s GLN 200 CO -0.02 0.33 -0.11 0.71 -0.55 0.00 0.00 175.29 175.65 3d85 s TYR 201 N -0.30 0.98 0.05 1.67 1.51 -0.33 -4.98 117.35 115.95 3d85 s TYR 201 Ca 0.04 -0.44 -0.05 0.00 -1.01 0.00 0.00 57.07 55.62 3d85 s TYR 201 Cb -0.07 -0.57 -0.02 0.00 -0.11 0.00 0.00 41.96 41.19 3d85 s TYR 201 CO -0.00 -0.00 0.09 0.95 -1.11 0.00 0.00 175.55 175.48 3d85 s THR 202 N -1.18 0.16 0.02 -0.71 -4.23 -1.26 -0.37 115.64 108.07 3d85 s THR 202 Ca -0.04 -1.29 -0.08 0.00 -1.18 0.00 0.00 61.69 59.10 3d85 s THR 202 Cb -0.09 -1.17 -0.00 0.00 1.34 0.00 0.00 72.50 72.58 3d85 s THR 202 CO 0.01 -0.71 0.15 -0.55 -0.54 0.00 0.00 174.62 172.98 3d85 s SER 203 N -2.52 0.06 -0.07 3.99 0.15 -0.24 -4.79 113.70 110.27 3d85 s SER 203 Ca 0.01 -0.32 -0.05 0.00 0.70 0.00 0.00 55.95 56.29 3d85 s SER 203 Cb 0.03 0.24 0.03 0.00 -1.71 0.00 0.00 66.02 64.60 3d85 s SER 203 CO -0.08 -0.46 0.16 -0.55 1.20 0.00 0.00 173.24 173.52 3d85 s SER 204 N -1.77 -0.16 -0.04 5.45 0.15 -1.26 -0.84 113.70 115.24 3d85 s SER 204 Ca -0.10 0.34 -0.30 0.00 0.70 0.00 0.00 55.95 56.59 3d85 s SER 204 Cb -0.04 0.29 0.11 0.00 -1.71 0.00 0.00 66.02 64.67 3d85 s SER 204 CO -0.01 -0.10 0.96 0.72 1.20 0.00 0.00 173.24 176.01 3d85 s PHE 205 N 0.57 -0.29 0.07 3.44 -0.12 -0.44 -4.97 117.98 116.24 3d85 s PHE 205 Ca -0.04 0.17 -0.07 0.00 -0.05 0.00 0.00 56.93 56.94 3d85 s PHE 205 Cb -0.06 0.54 -0.05 0.00 -0.63 0.00 0.00 43.02 42.82 3d85 s PHE 205 CO -0.03 -0.48 0.34 -0.06 -0.05 0.00 0.00 175.22 174.93 3d85 s PHE 206 N -2.98 3.54 0.18 3.49 0.40 -1.26 -0.20 117.98 121.15 3d85 s PHE 206 Ca 0.06 0.61 -0.13 0.00 -0.60 0.00 0.00 56.93 56.87 3d85 s PHE 206 Cb -0.01 -2.03 0.18 0.00 0.51 0.00 0.00 43.02 41.67 3d85 s PHE 206 CO -0.08 0.53 1.71 0.82 0.70 0.00 0.00 175.22 178.90 3d85 h ILE 207 N 2.64 0.71 -0.83 0.64 1.08 -1.97 -1.46 117.51 118.31 3d85 h ILE 207 Ca -0.48 -0.07 0.23 0.00 -0.39 0.00 0.00 64.86 64.15 3d85 h ILE 207 Cb 1.18 0.48 -0.04 0.00 -3.07 0.00 0.00 36.82 35.38 3d85 h ILE 207 CO 0.69 0.04 0.59 0.08 -0.69 0.00 0.00 178.15 178.86 3d85 h ARG 208 N 0.21 0.04 0.00 2.37 0.11 -1.95 -0.81 114.38 114.35 3d85 h ARG 208 Ca 0.24 -0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.32 3d85 h ARG 208 Cb 0.33 -0.01 0.00 0.00 1.11 0.00 0.00 29.97 31.40 3d85 h ARG 208 CO -0.33 0.03 -0.13 -0.44 0.10 0.00 0.00 179.97 179.19 3d85 h ASP 209 N 0.04 0.00 -0.35 0.08 3.32 -1.67 -3.31 116.42 114.53 3d85 h ASP 209 Ca 0.40 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.44 3d85 h ASP 209 Cb 1.53 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.08 3d85 h ASP 209 CO -0.02 0.00 0.00 2.30 -1.72 0.00 0.00 179.24 179.80 3d85 n ILE 210 N -2.90 0.70 -1.74 0.35 -5.35 -0.34 -4.73 119.36 105.36 3d85 n ILE 210 Ca 0.04 -0.85 -0.42 0.00 -0.27 0.00 0.00 62.75 61.25 3d85 n ILE 210 Cb 0.51 0.75 -0.02 0.00 -1.74 0.00 0.00 39.64 39.14 3d85 n ILE 210 CO 0.00 0.00 0.00 -0.38 -1.76 0.00 0.00 176.55 174.41 3d85 n ILE 211 N 0.91 0.95 -3.37 7.28 2.08 -1.02 -1.25 119.36 124.93 3d85 n ILE 211 Ca 0.14 -0.24 -0.14 0.00 0.56 0.00 0.00 62.75 63.07 3d85 n ILE 211 Cb 0.47 -1.93 -0.09 0.00 -0.75 0.00 0.00 39.64 37.34 3d85 n ILE 211 CO 0.00 0.00 0.00 -0.75 0.56 0.00 0.00 176.55 176.36 3d85 s LYS 212 N -0.39 0.34 0.84 0.38 2.20 0.10 -2.22 119.74 121.00 3d85 s LYS 212 Ca 0.65 0.03 -0.11 0.00 -0.36 0.00 0.00 55.97 56.17 3d85 s LYS 212 Cb -0.51 -0.58 0.10 0.00 -1.51 0.00 0.00 37.83 35.34 3d85 s LYS 212 CO 0.48 -0.97 1.16 -2.14 -0.36 0.00 0.00 175.35 173.51 3d85 s PRO 213 N 2.43 1.49 0.98 4.03 0.02 -1.26 -4.24 135.00 138.45 3d85 s PRO 213 Ca 0.10 1.55 -0.12 0.00 0.02 0.00 0.00 61.00 62.55 3d85 s PRO 213 Cb -0.14 -1.78 0.17 0.00 0.02 0.00 0.00 34.50 32.78 3d85 s PRO 213 CO -0.29 -2.28 1.10 -0.51 -0.33 0.00 0.00 177.00 174.69 3d85 s ASP 214 N -2.61 2.85 0.78 2.53 1.01 -1.26 -4.22 116.67 115.74 3d85 s ASP 214 Ca 0.68 1.16 -0.11 0.00 0.71 0.00 0.00 52.55 54.99 3d85 s ASP 214 Cb -0.24 -1.81 0.06 0.00 1.01 0.00 0.00 42.92 41.95 3d85 s ASP 214 CO 0.54 -2.99 1.10 -2.84 0.21 0.00 0.00 175.17 171.19 3d85 s PRO 215 N -5.03 2.17 0.69 8.23 0.02 -1.26 -4.73 135.00 135.10 3d85 s PRO 215 Ca 0.65 1.20 -0.17 0.00 0.02 0.00 0.00 61.00 62.71 3d85 s PRO 215 Cb -0.18 -1.88 0.02 0.00 0.02 0.00 0.00 34.50 32.47 3d85 s PRO 215 CO 0.57 -1.71 1.27 -2.14 -0.33 0.00 0.00 177.00 174.65 3d85 s PRO 216 N -4.87 2.28 0.46 5.54 0.02 -1.26 -4.27 135.00 132.91 3d85 s PRO 216 Ca 0.62 1.98 0.08 0.00 0.02 0.00 0.00 61.00 63.69 3d85 s PRO 216 Cb -0.18 -1.82 0.01 0.00 0.02 0.00 0.00 34.50 32.53 3d85 s PRO 216 CO 0.56 -1.78 0.46 -1.59 -0.33 0.00 0.00 177.00 174.32 3d85 s LYS 217 N -3.60 2.50 -1.39 5.54 -2.85 0.76 -4.70 119.74 116.00 3d85 s LYS 217 Ca 0.80 -1.59 -0.01 0.00 -1.00 0.00 0.00 55.97 54.17 3d85 s LYS 217 Cb -0.35 -2.42 0.01 0.00 -2.06 0.00 0.00 37.83 33.01 3d85 s LYS 217 CO 0.43 -0.37 0.02 0.09 0.10 0.00 0.00 175.35 175.62 3d85 n ASN 218 N -1.72 0.77 -4.73 0.03 3.02 -1.26 -0.63 115.26 110.74 3d85 n ASN 218 Ca 0.05 -1.14 -0.42 0.00 -0.03 0.00 0.00 54.58 53.04 3d85 n ASN 218 Cb 0.62 -1.42 -0.03 0.00 -0.61 0.00 0.00 39.78 38.35 3d85 n ASN 218 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 3d85 s LEU 219 N -6.90 4.37 0.01 3.41 2.96 -1.26 -4.21 118.68 117.06 3d85 s LEU 219 Ca 0.03 2.69 -0.11 0.00 -0.22 0.00 0.00 54.13 56.52 3d85 s LEU 219 Cb -0.02 -3.61 0.01 0.00 0.50 0.00 0.00 46.19 43.08 3d85 s LEU 219 CO 0.89 -0.80 0.23 -1.10 -1.32 0.00 0.00 176.35 174.25 3d85 s GLN 220 N 0.38 0.63 -0.06 1.98 -0.21 -0.40 -4.99 119.66 117.00 3d85 s GLN 220 Ca 0.66 -0.40 0.04 0.00 0.02 0.00 0.00 55.36 55.67 3d85 s GLN 220 Cb -0.44 0.27 -0.02 0.00 1.00 0.00 0.00 33.01 33.82 3d85 s GLN 220 CO 0.38 -0.17 -0.18 -0.51 -2.12 0.00 0.00 175.29 172.68 3d85 s LEU 221 N -1.62 2.51 -0.51 2.90 1.43 -1.26 -0.86 118.68 121.26 3d85 s LEU 221 Ca -0.11 -0.32 0.04 0.00 -1.03 0.00 0.00 54.13 52.71 3d85 s LEU 221 Cb -0.04 -1.50 0.16 0.00 0.03 0.00 0.00 46.19 44.84 3d85 s LEU 221 CO 0.01 0.29 0.36 -0.54 0.23 0.00 0.00 176.35 176.70 3d85 s LYS 222 N -0.43 1.51 0.62 1.70 3.01 -0.12 -4.93 119.74 121.09 3d85 s LYS 222 Ca 0.05 -2.47 -0.19 0.00 -1.01 0.00 0.00 55.97 52.35 3d85 s LYS 222 Cb -0.12 -2.30 -0.02 0.00 -1.01 0.00 0.00 37.83 34.37 3d85 s LYS 222 CO 0.02 -1.29 1.27 -1.25 0.51 0.00 0.00 175.35 174.60 3d85 s PRO 223 N -0.34 2.76 -0.06 -1.68 0.04 -1.26 -2.25 135.00 132.21 3d85 s PRO 223 Ca 0.26 1.99 -0.00 0.00 0.04 0.00 0.00 61.00 63.28 3d85 s PRO 223 Cb -0.07 -1.91 -0.03 0.00 0.04 0.00 0.00 34.50 32.53 3d85 s PRO 223 CO -0.13 -1.42 -0.06 1.28 0.04 0.00 0.00 177.00 176.71 3d85 n LEU 224 N -1.71 2.35 -2.85 -3.56 4.77 -1.26 -4.94 117.00 109.80 3d85 n LEU 224 Ca 0.15 -0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 56.11 3d85 n LEU 224 Cb 0.48 -0.19 -0.01 0.00 -2.33 0.00 0.00 43.42 41.37 3d85 n LEU 224 CO 0.46 0.48 -0.48 1.67 -1.33 0.00 0.00 177.39 178.19 3d85 n GLN 229 N -2.82 -2.74 -3.87 3.23 7.27 -1.26 -5.16 117.38 112.05 3d85 n GLN 229 Ca -0.11 2.29 -0.21 0.00 0.07 0.00 0.00 57.00 59.04 3d85 n GLN 229 Cb 0.60 -3.71 -0.04 0.00 2.41 0.00 0.00 30.24 29.50 3d85 n GLN 229 CO 0.00 0.00 0.00 0.08 0.07 0.00 0.00 177.06 177.21 3d85 s VAL 230 N -1.06 3.54 -0.38 1.69 1.01 -0.16 -4.92 120.40 120.13 3d85 s VAL 230 Ca -0.07 -1.41 -0.13 0.00 0.00 0.00 0.00 61.98 60.37 3d85 s VAL 230 Cb 0.00 -3.18 0.01 0.00 0.00 0.00 0.00 36.38 33.22 3d85 s VAL 230 CO 0.51 -0.19 0.25 -0.70 0.00 0.00 0.00 175.10 174.97 3d85 s GLU 231 N -3.97 3.03 -0.07 2.72 2.12 -0.95 -1.82 118.70 119.76 3d85 s GLU 231 Ca 0.40 -0.96 -0.20 0.00 0.36 0.00 0.00 54.97 54.57 3d85 s GLU 231 Cb -0.06 -3.85 -0.04 0.00 0.26 0.00 0.00 34.13 30.44 3d85 s GLU 231 CO 0.26 -0.67 0.56 0.08 -0.54 0.00 0.00 175.26 174.95 3d85 s VAL 232 N 1.64 5.07 0.11 3.70 1.01 0.30 -0.94 120.40 131.29 3d85 s VAL 232 Ca 0.04 1.15 0.03 0.00 0.00 0.00 0.00 61.98 63.19 3d85 s VAL 232 Cb -0.19 -3.90 -0.04 0.00 0.00 0.00 0.00 36.38 32.25 3d85 s VAL 232 CO 0.09 0.35 -0.08 -0.94 0.00 0.00 0.00 175.10 174.52 3d85 s SER 233 N 0.35 1.33 0.16 3.32 1.04 -0.04 -1.18 113.70 118.67 3d85 s SER 233 Ca 0.30 -1.01 -0.24 0.00 0.48 0.00 0.00 55.95 55.48 3d85 s SER 233 Cb -0.17 0.06 0.07 0.00 0.10 0.00 0.00 66.02 66.09 3d85 s SER 233 CO 0.14 -0.43 1.02 -1.66 0.98 0.00 0.00 173.24 173.29 3d85 s TRP 234 N -3.54 -0.03 0.18 5.02 -2.14 -0.92 -1.27 118.94 116.24 3d85 s TRP 234 Ca 0.13 -0.31 0.04 0.00 2.66 0.00 0.00 56.10 58.62 3d85 s TRP 234 Cb 0.04 0.66 -0.05 0.00 -3.10 0.00 0.00 33.47 31.03 3d85 s TRP 234 CO -0.03 -0.84 -0.06 -1.21 -2.66 0.00 0.00 176.95 172.14 3d85 s GLU 235 N -2.70 1.17 0.56 3.25 2.02 0.20 -4.81 118.70 118.40 3d85 s GLU 235 Ca 0.17 -1.54 -0.19 0.00 0.02 0.00 0.00 54.97 53.42 3d85 s GLU 235 Cb -0.02 -0.62 -0.05 0.00 0.10 0.00 0.00 34.13 33.55 3d85 s GLU 235 CO 0.03 0.01 1.17 0.71 0.02 0.00 0.00 175.26 177.20 3d85 s TYR 236 N -3.37 2.54 0.48 1.61 1.51 -1.26 -0.17 117.35 118.69 3d85 s TYR 236 Ca 0.21 1.53 -0.22 0.00 -1.01 0.00 0.00 57.07 57.59 3d85 s TYR 236 Cb 0.04 -3.38 -0.07 0.00 -0.11 0.00 0.00 41.96 38.43 3d85 s TYR 236 CO 0.04 -1.88 1.13 -1.25 -1.11 0.00 0.00 175.55 172.48 3d85 s PRO 237 N -3.29 3.71 0.48 -1.71 0.04 -1.26 -4.39 135.00 128.57 3d85 s PRO 237 Ca 0.75 1.65 0.15 0.00 0.04 0.00 0.00 61.00 63.59 3d85 s PRO 237 Cb -0.27 -2.28 1.14 0.00 0.04 0.00 0.00 34.50 33.13 3d85 s PRO 237 CO 0.30 -0.57 2.05 -0.44 0.04 0.00 0.00 177.00 178.39 3d85 h ASP 238 N 1.82 0.20 1.45 6.66 3.32 -1.93 -1.86 116.42 126.08 3d85 h ASP 238 Ca -0.49 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.56 3d85 h ASP 238 Cb 1.24 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.75 3d85 h ASP 238 CO 0.59 0.13 0.00 0.71 -1.72 0.00 0.00 179.24 178.96 3d85 h THR 239 N 0.23 0.00 -4.16 0.35 1.35 -1.93 -3.47 112.91 105.29 3d85 h THR 239 Ca 0.16 -0.54 -0.54 0.00 -0.55 0.00 0.00 66.41 64.94 3d85 h THR 239 Cb 0.33 1.50 0.15 0.00 -1.73 0.00 0.00 68.15 68.41 3d85 h THR 239 CO -0.03 0.00 0.43 0.86 -0.25 0.00 0.00 175.52 176.53 3d85 s TRP 240 N -3.17 2.08 0.59 4.73 -0.11 -0.70 -4.57 118.94 117.78 3d85 s TRP 240 Ca 0.09 1.57 -0.19 0.00 1.22 0.00 0.00 56.10 58.79 3d85 s TRP 240 Cb 0.10 -3.52 -0.04 0.00 -1.50 0.00 0.00 33.47 28.52 3d85 s TRP 240 CO 0.58 -2.65 1.22 -1.12 -4.62 0.00 0.00 176.95 170.35 3d85 s SER 241 N -1.85 5.19 0.26 5.86 0.01 -1.26 -5.01 113.70 116.90 3d85 s SER 241 Ca 0.76 2.41 0.10 0.00 1.31 0.00 0.00 55.95 60.53 3d85 s SER 241 Cb -0.31 -2.60 -0.05 0.00 0.21 0.00 0.00 66.02 63.27 3d85 s SER 241 CO 0.43 -1.59 -0.16 0.42 0.41 0.00 0.00 173.24 172.74 3d85 s THR 242 N -1.57 2.17 0.45 1.44 -4.23 -1.26 -4.31 115.64 108.33 3d85 s THR 242 Ca 0.77 -2.31 -0.23 0.00 -1.18 0.00 0.00 61.69 58.75 3d85 s THR 242 Cb -0.31 -2.27 -0.08 0.00 1.34 0.00 0.00 72.50 71.19 3d85 s THR 242 CO 0.34 -0.43 1.12 -2.16 -0.54 0.00 0.00 174.62 172.95 3d85 s PRO 243 N -3.58 3.83 0.61 3.99 0.04 -1.26 -4.91 135.00 133.73 3d85 s PRO 243 Ca 0.28 1.66 0.39 0.00 0.04 0.00 0.00 61.00 63.37 3d85 s PRO 243 Cb -0.02 -2.39 1.87 0.00 0.04 0.00 0.00 34.50 34.00 3d85 s PRO 243 CO 0.12 -0.46 2.17 0.45 0.04 0.00 0.00 177.00 179.32 3d85 h HIS 244 N 2.06 0.00 0.00 0.56 3.86 -1.82 -1.36 115.15 118.45 3d85 h HIS 244 Ca -0.49 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.72 3d85 h HIS 244 Cb 1.24 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.71 3d85 h HIS 244 CO 0.55 0.00 0.00 0.66 0.86 0.00 0.00 177.93 180.00 3d85 h SER 245 N 0.00 0.00 0.00 2.45 4.64 -1.98 -3.20 113.55 115.46 3d85 h SER 245 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3d85 h SER 245 Cb 0.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.37 3d85 h SER 245 CO 0.00 0.00 -0.63 0.00 -0.87 0.00 0.00 176.83 175.33 3d85 n TYR 246 N -2.42 0.00 -2.19 4.77 9.36 -0.71 -4.75 117.16 121.22 3d85 n TYR 246 Ca 0.03 0.00 -0.43 0.00 3.32 0.00 0.00 57.90 60.82 3d85 n TYR 246 Cb 0.29 -0.32 0.00 0.00 -0.63 0.00 0.00 39.34 38.68 3d85 n TYR 246 CO 0.00 0.00 0.00 1.19 0.22 0.00 0.00 176.86 178.27 3d85 n PHE 247 N -3.90 3.90 -2.47 2.98 3.01 -0.59 -4.98 117.46 115.41 3d85 n PHE 247 Ca -0.09 -2.95 -0.35 0.00 1.01 0.00 0.00 57.45 55.08 3d85 n PHE 247 Cb 0.33 -2.45 -0.03 0.00 -0.01 0.00 0.00 39.48 37.32 3d85 n PHE 247 CO 0.00 0.00 0.00 -1.12 1.01 0.00 0.00 176.76 176.65 3d85 s SER 248 N 3.08 6.27 0.33 4.37 0.01 -1.21 -4.64 113.70 121.92 3d85 s SER 248 Ca 0.47 2.02 0.09 0.00 1.31 0.00 0.00 55.95 59.85 3d85 s SER 248 Cb 0.09 -2.57 -0.06 0.00 0.21 0.00 0.00 66.02 63.69 3d85 s SER 248 CO -0.02 -0.83 -0.03 -0.76 0.41 0.00 0.00 173.24 172.01 3d85 s LEU 249 N -3.39 2.90 0.16 2.44 1.43 -1.26 -1.69 118.68 119.27 3d85 s LEU 249 Ca 0.67 -1.04 0.06 0.00 -1.03 0.00 0.00 54.13 52.79 3d85 s LEU 249 Cb -0.19 -1.25 -0.04 0.00 0.03 0.00 0.00 46.19 44.73 3d85 s LEU 249 CO 0.23 -0.20 -0.13 0.28 0.23 0.00 0.00 176.35 176.76 3d85 s THR 250 N -2.54 1.42 0.13 5.49 -1.32 0.08 -4.60 115.64 114.30 3d85 s THR 250 Ca 0.34 -2.04 0.02 0.00 -1.21 0.00 0.00 61.69 58.79 3d85 s THR 250 Cb 0.00 -1.85 -0.04 0.00 -1.51 0.00 0.00 72.50 69.10 3d85 s THR 250 CO 0.18 -0.62 -0.05 -0.36 -2.21 0.00 0.00 174.62 171.57 3d85 s PHE 251 N -2.93 1.03 -0.07 9.09 0.40 0.62 -1.50 117.98 124.61 3d85 s PHE 251 Ca 0.17 -0.93 0.01 0.00 -0.60 0.00 0.00 56.93 55.58 3d85 s PHE 251 Cb -0.00 -0.58 0.02 0.00 0.51 0.00 0.00 43.02 42.96 3d85 s PHE 251 CO 0.03 -0.15 -0.09 0.00 0.70 0.00 0.00 175.22 175.71 3d85 s VAL 253 N 1.00 3.13 -0.05 0.00 1.01 0.27 -1.41 120.40 124.35 3d85 s VAL 253 Ca -0.09 -0.64 0.02 0.00 0.00 0.00 0.00 61.98 61.27 3d85 s VAL 253 Cb -0.15 -2.31 0.02 0.00 0.00 0.00 0.00 36.38 33.94 3d85 s VAL 253 CO -0.00 0.53 -0.08 -1.58 0.00 0.00 0.00 175.10 173.97 3d85 s GLN 254 N 0.25 1.21 -0.09 2.72 0.74 0.10 -0.15 119.66 124.44 3d85 s GLN 254 Ca -0.08 -0.25 -0.03 0.00 0.05 0.00 0.00 55.36 55.05 3d85 s GLN 254 Cb -0.15 -1.08 -0.04 0.00 1.10 0.00 0.00 33.01 32.85 3d85 s GLN 254 CO 0.05 -0.02 0.06 0.14 -0.55 0.00 0.00 175.29 174.96 3d85 s VAL 255 N 0.76 4.76 -0.06 1.34 -7.23 -0.95 0.03 120.40 119.05 3d85 s VAL 255 Ca -0.13 -0.10 -0.29 0.00 -1.81 0.00 0.00 61.98 59.65 3d85 s VAL 255 Cb -0.15 -3.05 0.10 0.00 0.56 0.00 0.00 36.38 33.85 3d85 s VAL 255 CO 0.02 0.59 0.85 0.00 -0.31 0.00 0.00 175.10 176.25 3d85 s GLN 256 N -1.01 0.83 -0.01 4.82 -2.07 -0.66 -4.89 119.66 116.67 3d85 s GLN 256 Ca 0.15 0.01 0.07 0.00 -1.82 0.00 0.00 55.36 53.76 3d85 s GLN 256 Cb -0.12 0.39 -0.10 0.00 -1.09 0.00 0.00 33.01 32.09 3d85 s GLN 256 CO 0.04 -0.30 0.14 0.41 -1.32 0.00 0.00 175.29 174.26 3d85 n GLY 257 N 0.43 -0.31 3.54 2.60 0.00 -1.26 -0.20 105.19 109.98 3d85 n GLY 257 Ca -0.13 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.74 3d85 n GLY 257 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3d85 n LYS 264 N -1.76 0.00 -1.31 1.61 0.00 -1.26 -5.05 118.16 110.38 3d85 n LYS 264 Ca -0.02 0.00 -0.13 0.00 0.00 0.00 0.00 58.31 58.16 3d85 n LYS 264 Cb 0.21 -0.83 0.12 0.00 0.00 0.00 0.00 35.03 34.52 3d85 n LYS 264 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 3d85 n ASP 265 N 0.00 3.83 -4.06 3.14 9.92 -1.26 -4.99 116.55 123.13 3d85 n ASP 265 Ca 0.00 -3.80 -0.19 0.00 -0.53 0.00 0.00 54.79 50.26 3d85 n ASP 265 Cb 0.00 -0.53 -0.14 0.00 -0.64 0.00 0.00 41.12 39.81 3d85 n ASP 265 CO 0.00 0.00 0.00 -0.13 0.13 0.00 0.00 177.20 177.20 3d85 s ARG 266 N -3.45 0.83 0.13 -1.24 0.52 -1.26 -2.24 118.95 112.23 3d85 s ARG 266 Ca 0.48 -0.46 0.09 0.00 -0.52 0.00 0.00 55.73 55.32 3d85 s ARG 266 Cb 0.41 -0.80 -0.04 0.00 0.52 0.00 0.00 34.95 35.04 3d85 s ARG 266 CO -0.00 0.21 -0.23 0.14 0.02 0.00 0.00 175.30 175.44 3d85 s VAL 267 N -0.42 1.96 -0.00 3.52 -7.23 0.79 -4.97 120.40 114.05 3d85 s VAL 267 Ca 0.03 -1.71 0.08 0.00 -1.81 0.00 0.00 61.98 58.56 3d85 s VAL 267 Cb -0.05 -1.79 -0.02 0.00 0.56 0.00 0.00 36.38 35.08 3d85 s VAL 267 CO -0.00 -0.05 -0.24 -0.36 -0.31 0.00 0.00 175.10 174.14 3d85 s PHE 268 N -1.30 2.40 -0.02 2.82 0.40 -1.26 -0.57 117.98 120.45 3d85 s PHE 268 Ca 0.11 -0.38 -0.30 0.00 -0.60 0.00 0.00 56.93 55.77 3d85 s PHE 268 Cb -0.09 -1.49 0.07 0.00 0.51 0.00 0.00 43.02 42.02 3d85 s PHE 268 CO 0.06 0.06 0.68 -0.08 0.70 0.00 0.00 175.22 176.63 3d85 s THR 269 N -0.70 0.00 -0.82 0.64 -1.32 -0.61 -5.00 115.64 107.83 3d85 s THR 269 Ca 0.11 0.00 0.23 0.00 -1.21 0.00 0.00 61.69 60.82 3d85 s THR 269 Cb -0.10 -1.00 -0.09 0.00 -1.51 0.00 0.00 72.50 69.80 3d85 s THR 269 CO 0.01 0.00 1.15 0.47 -2.21 0.00 0.00 174.62 174.03 3d85 n ASP 270 N 0.72 0.65 -4.81 8.08 10.43 -1.26 -0.28 116.55 130.09 3d85 n ASP 270 Ca -0.18 -0.36 -0.30 0.00 2.57 0.00 0.00 54.79 56.51 3d85 n ASP 270 Cb 0.58 0.62 0.09 0.00 1.84 0.00 0.00 41.12 44.24 3d85 n ASP 270 CO 0.00 0.00 0.00 -0.54 -1.07 0.00 0.00 177.20 175.59 3d85 s LYS 271 N -3.09 2.20 -0.39 -1.24 1.02 -1.26 -4.84 119.74 112.14 3d85 s LYS 271 Ca 0.07 0.69 0.05 0.00 0.02 0.00 0.00 55.97 56.80 3d85 s LYS 271 Cb 0.16 -1.93 0.66 0.00 -0.52 0.00 0.00 37.83 36.20 3d85 s LYS 271 CO 0.78 -1.55 1.83 0.25 -0.92 0.00 0.00 175.35 175.74 3d85 n THR 272 N -3.39 3.00 -3.67 2.17 -2.24 -1.26 -4.82 114.28 104.06 3d85 n THR 272 Ca 0.07 -1.72 -0.11 0.00 -2.27 0.00 0.00 64.05 60.02 3d85 n THR 272 Cb 0.56 -0.47 -0.06 0.00 -2.10 0.00 0.00 70.33 68.27 3d85 n THR 272 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3d85 s SER 273 N -1.09 -0.22 0.05 3.42 1.04 -1.26 -2.16 113.70 113.48 3d85 s SER 273 Ca 0.53 -0.22 -0.26 0.00 0.48 0.00 0.00 55.95 56.48 3d85 s SER 273 Cb 0.44 0.44 0.07 0.00 0.10 0.00 0.00 66.02 67.07 3d85 s SER 273 CO 0.11 -0.76 0.61 0.00 0.98 0.00 0.00 173.24 174.18 3d85 s ALA 274 N -3.26 -1.60 -0.22 5.32 0.00 -0.33 -4.99 121.76 116.68 3d85 s ALA 274 Ca -0.00 0.85 -0.02 0.00 0.00 0.00 0.00 51.96 52.79 3d85 s ALA 274 Cb 0.01 0.40 0.01 0.00 0.00 0.00 0.00 23.12 23.54 3d85 s ALA 274 CO -0.08 -0.54 -0.09 0.95 0.00 0.00 0.00 175.76 176.00 3d85 s THR 275 N -2.39 2.84 0.31 0.00 -4.23 -1.26 0.11 115.64 111.02 3d85 s THR 275 Ca -0.05 -0.80 0.03 0.00 -1.18 0.00 0.00 61.69 59.69 3d85 s THR 275 Cb -0.01 -2.32 -0.06 0.00 1.34 0.00 0.00 72.50 71.45 3d85 s THR 275 CO -0.01 0.38 0.06 0.68 -0.54 0.00 0.00 174.62 175.19 3d85 s VAL 276 N 1.37 1.12 -0.65 2.29 -7.23 -0.76 -4.98 120.40 111.57 3d85 s VAL 276 Ca 0.04 -2.00 -0.17 0.00 -1.81 0.00 0.00 61.98 58.04 3d85 s VAL 276 Cb -0.15 -2.76 0.14 0.00 0.56 0.00 0.00 36.38 34.18 3d85 s VAL 276 CO -0.06 -0.02 0.67 -0.63 -0.31 0.00 0.00 175.10 174.75 3d85 s ILE 277 N -3.35 5.14 -0.37 -0.62 1.01 -1.26 -0.98 121.20 120.76 3d85 s ILE 277 Ca 0.36 -1.55 -0.29 0.00 0.00 0.00 0.00 60.65 59.17 3d85 s ILE 277 Cb 0.08 -4.45 0.01 0.00 0.01 0.00 0.00 42.46 38.12 3d85 s ILE 277 CO 0.15 -1.03 1.32 0.00 0.00 0.00 0.00 174.94 175.38 3d85 n ARG 279 N 7.69 -0.84 -3.78 0.00 5.12 -1.26 -4.27 116.66 119.32 3d85 n ARG 279 Ca 0.15 -0.79 -0.36 0.00 -1.93 0.00 0.00 57.85 54.92 3d85 n ARG 279 Cb 0.47 -0.57 -0.07 0.00 -1.16 0.00 0.00 32.46 31.14 3d85 n ARG 279 CO 0.00 0.00 0.00 0.21 -1.93 0.00 0.00 177.63 175.91 3d85 s LYS 280 N -4.12 3.75 0.00 5.56 2.20 -1.26 -4.05 119.74 121.82 3d85 s LYS 280 Ca 0.30 -0.10 0.00 0.00 -0.36 0.00 0.00 55.97 55.81 3d85 s LYS 280 Cb -0.01 -3.27 0.00 0.00 -1.51 0.00 0.00 37.83 33.03 3d85 s LYS 280 CO 0.21 0.60 0.00 0.09 -0.36 0.00 0.00 175.35 175.89 3d85 n ASN 281 N 2.51 0.00 -4.93 1.43 3.02 -1.26 -5.03 115.26 111.01 3d85 n ASN 281 Ca -0.18 0.00 -0.26 0.00 -0.03 0.00 0.00 54.58 54.11 3d85 n ASN 281 Cb 0.54 0.00 0.06 0.00 -0.61 0.00 0.00 39.78 39.77 3d85 n ASN 281 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3d85 s ALA 282 N -3.09 3.18 0.03 5.41 0.00 -1.26 -4.81 121.76 121.22 3d85 s ALA 282 Ca 0.00 -0.87 0.04 0.00 0.00 0.00 0.00 51.96 51.13 3d85 s ALA 282 Cb 0.00 -2.61 -0.02 0.00 0.00 0.00 0.00 23.12 20.49 3d85 s ALA 282 CO 0.00 -1.21 -0.12 -1.54 0.00 0.00 0.00 175.76 172.90 3d85 s SER 283 N -4.47 1.39 -0.18 0.00 1.04 0.72 0.20 113.70 112.40 3d85 s SER 283 Ca 0.59 -0.42 -0.08 0.00 0.48 0.00 0.00 55.95 56.52 3d85 s SER 283 Cb -0.11 -0.08 -0.04 0.00 0.10 0.00 0.00 66.02 65.89 3d85 s SER 283 CO 0.45 -0.00 0.07 -0.63 0.98 0.00 0.00 173.24 174.11 3d85 s ILE 284 N -0.84 4.90 0.04 -1.02 1.01 0.35 -1.65 121.20 123.98 3d85 s ILE 284 Ca -0.00 0.00 0.09 0.00 0.00 0.00 0.00 60.65 60.74 3d85 s ILE 284 Cb -0.07 -3.21 -0.03 0.00 0.01 0.00 0.00 42.46 39.16 3d85 s ILE 284 CO 0.01 0.47 -0.25 -0.44 0.00 0.00 0.00 174.94 174.73 3d85 s SER 285 N 0.29 2.96 -0.02 3.58 0.01 0.11 -1.09 113.70 119.53 3d85 s SER 285 Ca 0.04 -0.56 0.03 0.00 1.31 0.00 0.00 55.95 56.77 3d85 s SER 285 Cb -0.12 -0.27 0.00 0.00 0.21 0.00 0.00 66.02 65.84 3d85 s SER 285 CO -0.00 0.24 -0.09 -0.69 0.41 0.00 0.00 173.24 173.10 3d85 s VAL 286 N -0.78 0.78 0.18 3.43 1.01 0.03 0.02 120.40 125.07 3d85 s VAL 286 Ca 0.10 -0.37 0.04 0.00 0.00 0.00 0.00 61.98 61.76 3d85 s VAL 286 Cb -0.10 -0.69 -0.05 0.00 0.00 0.00 0.00 36.38 35.55 3d85 s VAL 286 CO 0.02 0.24 -0.05 0.00 0.00 0.00 0.00 175.10 175.31 3d85 s ARG 287 N 0.13 1.18 0.13 2.72 1.70 -0.50 -0.92 118.95 123.39 3d85 s ARG 287 Ca -0.02 -1.55 0.06 0.00 -0.47 0.00 0.00 55.73 53.75 3d85 s ARG 287 Cb -0.08 -0.59 -0.04 0.00 -0.57 0.00 0.00 34.95 33.67 3d85 s ARG 287 CO 0.00 -0.01 -0.15 0.00 -1.08 0.00 0.00 175.30 174.06 3d85 s ALA 288 N -3.39 1.63 -0.01 7.88 0.00 -1.26 -1.81 121.76 124.79 3d85 s ALA 288 Ca 0.22 -1.35 -0.15 0.00 0.00 0.00 0.00 51.96 50.68 3d85 s ALA 288 Cb 0.04 -0.10 0.02 0.00 0.00 0.00 0.00 23.12 23.09 3d85 s ALA 288 CO 0.04 0.13 0.32 -1.14 0.00 0.00 0.00 175.76 175.11 3d85 s GLN 289 N -2.75 0.69 0.23 0.00 0.74 -0.56 -0.08 119.66 117.93 3d85 s GLN 289 Ca 0.11 -0.22 -0.32 0.00 0.05 0.00 0.00 55.36 54.98 3d85 s GLN 289 Cb -0.05 0.31 -0.14 0.00 1.10 0.00 0.00 33.01 34.23 3d85 s GLN 289 CO 0.04 -0.20 1.40 -3.47 -0.55 0.00 0.00 175.29 172.51 3d85 n ASP 290 N 1.18 2.65 0.20 6.67 2.03 -1.26 -0.74 116.55 127.28 3d85 n ASP 290 Ca -0.21 1.14 0.06 0.00 0.52 0.00 0.00 54.79 56.30 3d85 n ASP 290 Cb 0.56 -1.41 0.44 0.00 -0.72 0.00 0.00 41.12 39.99 3d85 n ASP 290 CO 0.00 0.00 0.00 -0.09 -1.92 0.00 0.00 177.20 175.19 3d85 h ARG 291 N 4.29 0.00 0.00 -0.67 2.43 -1.58 -3.35 114.38 115.50 3d85 h ARG 291 Ca -0.45 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.72 3d85 h ARG 291 Cb 1.28 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.83 3d85 h ARG 291 CO 0.76 0.31 -0.67 0.66 -1.51 0.00 0.00 179.97 179.52 3d85 n TYR 292 N -3.76 0.00 -4.12 2.20 4.02 -1.26 -4.94 117.16 109.30 3d85 n TYR 292 Ca -0.01 0.00 -0.21 0.00 -0.01 0.00 0.00 57.90 57.67 3d85 n TYR 292 Cb 0.41 -0.06 -0.17 0.00 -0.02 0.00 0.00 39.34 39.51 3d85 n TYR 292 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 176.86 175.38 3d85 s TYR 293 N -1.99 0.83 -1.12 -0.72 6.14 -1.26 -5.07 117.35 114.15 3d85 s TYR 293 Ca 0.01 -0.26 -0.18 0.00 0.64 0.00 0.00 57.07 57.29 3d85 s TYR 293 Cb 0.06 -0.75 -0.06 0.00 0.42 0.00 0.00 41.96 41.63 3d85 s TYR 293 CO 0.33 -0.24 2.10 0.45 0.64 0.00 0.00 175.55 178.83 3d85 n SER 294 N 4.25 3.33 -0.96 4.32 2.88 -1.26 -4.43 113.62 121.75 3d85 n SER 294 Ca -0.21 -2.75 0.00 0.00 -1.33 0.00 0.00 58.87 54.58 3d85 n SER 294 Cb 0.51 -1.39 0.00 0.00 -0.75 0.00 0.00 64.21 62.58 3d85 n SER 294 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 3d85 n SER 295 N 6.67 0.00 -4.78 -3.46 3.41 -1.26 -5.05 113.62 109.14 3d85 n SER 295 Ca 0.51 -0.19 -0.36 0.00 -0.26 0.00 0.00 58.87 58.56 3d85 n SER 295 Cb 0.39 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.31 3d85 n SER 295 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 3d85 s SER 296 N -1.00 6.60 0.48 4.04 0.01 -0.94 -4.85 113.70 118.04 3d85 s SER 296 Ca 0.00 2.08 -0.20 0.00 1.31 0.00 0.00 55.95 59.14 3d85 s SER 296 Cb 0.00 -2.59 -0.09 0.00 0.21 0.00 0.00 66.02 63.56 3d85 s SER 296 CO 0.00 -0.61 1.03 0.26 0.41 0.00 0.00 173.24 174.33 3d85 s TRP 297 N -1.67 3.05 1.01 2.43 0.52 -1.26 -4.31 118.94 118.70 3d85 s TRP 297 Ca 0.60 1.58 -0.15 0.00 0.02 0.00 0.00 56.10 58.15 3d85 s TRP 297 Cb -0.23 -3.04 0.19 0.00 -1.15 0.00 0.00 33.47 29.25 3d85 s TRP 297 CO 0.28 -0.73 1.15 -1.54 0.02 0.00 0.00 176.95 176.14 3d85 s SER 298 N -1.99 2.63 0.78 2.95 1.04 0.88 -4.78 113.70 115.21 3d85 s SER 298 Ca 0.66 0.79 -0.11 0.00 0.48 0.00 0.00 55.95 57.77 3d85 s SER 298 Cb -0.15 -1.20 0.06 0.00 0.10 0.00 0.00 66.02 64.82 3d85 s SER 298 CO 0.19 -3.08 1.08 -1.61 0.98 0.00 0.00 173.24 170.81 3d85 s GLU 299 N -5.37 2.20 0.37 4.02 0.41 -1.26 -4.60 118.70 114.46 3d85 s GLU 299 Ca 0.68 0.99 -0.25 0.00 -0.41 0.00 0.00 54.97 55.98 3d85 s GLU 299 Cb -0.12 -1.90 -0.09 0.00 -1.78 0.00 0.00 34.13 30.23 3d85 s GLU 299 CO 0.55 -1.63 1.02 -1.58 -0.49 0.00 0.00 175.26 173.13 3d85 s TRP 300 N -2.97 3.42 -0.14 1.61 0.52 -1.26 -4.42 118.94 115.69 3d85 s TRP 300 Ca 0.61 1.69 -0.02 0.00 0.02 0.00 0.00 56.10 58.39 3d85 s TRP 300 Cb -0.16 -3.08 -0.02 0.00 -1.15 0.00 0.00 33.47 29.05 3d85 s TRP 300 CO 0.56 -0.38 -0.07 0.00 0.02 0.00 0.00 176.95 177.08 3d85 s ALA 301 N -1.61 2.89 0.17 0.98 0.00 -0.10 -4.93 121.76 119.16 3d85 s ALA 301 Ca 0.54 -0.84 0.10 0.00 0.00 0.00 0.00 51.96 51.76 3d85 s ALA 301 Cb -0.22 -1.42 -0.04 0.00 0.00 0.00 0.00 23.12 21.43 3d85 s ALA 301 CO 0.28 0.26 -0.21 -1.12 0.00 0.00 0.00 175.76 174.97 3d85 s SER 302 N 0.25 2.96 -0.02 0.00 0.01 -1.26 -0.79 113.70 114.84 3d85 s SER 302 Ca -0.05 -0.85 -0.03 0.00 1.31 0.00 0.00 55.95 56.34 3d85 s SER 302 Cb -0.14 -0.19 0.00 0.00 0.21 0.00 0.00 66.02 65.90 3d85 s SER 302 CO 0.04 0.03 0.07 0.54 0.41 0.00 0.00 173.24 174.33 3d85 s VAL 303 N -1.83 0.03 0.22 3.43 0.11 -0.25 -5.00 120.40 117.11 3d85 s VAL 303 Ca 0.17 -0.23 -0.29 0.00 -2.93 0.00 0.00 61.98 58.70 3d85 s VAL 303 Cb -0.07 -0.18 -0.09 0.00 -1.53 0.00 0.00 36.38 34.52 3d85 s VAL 303 CO 0.08 -0.13 0.91 -2.16 -3.33 0.00 0.00 175.10 170.47 3d85 s PRO 304 N -0.37 4.80 0.00 1.54 0.04 -1.26 -0.50 135.00 139.25 3d85 s PRO 304 Ca -0.04 1.43 0.16 0.00 0.04 0.00 0.00 61.00 62.58 3d85 s PRO 304 Cb -0.03 -3.28 0.93 0.00 0.04 0.00 0.00 34.50 32.16 3d85 s PRO 304 CO 0.00 0.52 1.34 0.00 0.04 0.00 0.00 177.00 178.90