#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x3s h GLU 3 N 0.00 0.00 -0.44 0.11 5.08 -2.05 -2.13 114.58 115.15 1x3s h GLU 3 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1x3s h GLU 3 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1x3s h GLU 3 CO 0.00 0.00 0.00 -0.40 -1.00 0.00 0.00 179.01 177.61 1x3s n ASP 4 N -3.07 3.21 -4.68 1.42 5.68 -1.26 -4.95 116.55 112.91 1x3s n ASP 4 Ca -0.02 -1.95 -0.41 0.00 -0.50 0.00 0.00 54.79 51.91 1x3s n ASP 4 Cb 0.14 -0.29 -0.04 0.00 -1.14 0.00 0.00 41.12 39.78 1x3s n ASP 4 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 1x3s s VAL 5 N -1.05 4.92 0.05 2.12 1.01 -0.80 -4.36 120.40 122.28 1x3s s VAL 5 Ca 0.32 1.56 -0.20 0.00 0.00 0.00 0.00 61.98 63.66 1x3s s VAL 5 Cb 0.17 -4.11 -0.13 0.00 0.00 0.00 0.00 36.38 32.31 1x3s s VAL 5 CO 0.23 0.07 1.37 0.25 0.00 0.00 0.00 175.10 177.02 1x3s h LEU 6 N 8.02 0.40 -7.33 3.92 5.85 -1.01 -3.49 115.31 121.68 1x3s h LEU 6 Ca -0.32 -0.46 0.10 0.00 0.84 0.00 0.00 57.88 58.04 1x3s h LEU 6 Cb 1.15 -0.11 -0.11 0.00 0.37 0.00 0.00 40.66 41.95 1x3s h LEU 6 CO 0.81 0.78 0.41 0.28 -0.34 0.00 0.00 178.44 180.38 1x3s s THR 7 N -4.38 0.00 -0.15 1.05 -1.32 -1.25 -5.07 115.64 104.53 1x3s s THR 7 Ca -0.14 -0.33 -0.03 0.00 -1.21 0.00 0.00 61.69 59.98 1x3s s THR 7 Cb 0.06 -1.43 -0.02 0.00 -1.51 0.00 0.00 72.50 69.59 1x3s s THR 7 CO 0.76 0.00 -0.06 -0.89 -2.21 0.00 0.00 174.62 172.22 1x3s s THR 8 N -3.38 3.72 -0.09 5.08 2.01 -1.26 -1.14 115.64 120.57 1x3s s THR 8 Ca 0.07 -0.42 0.02 0.00 0.31 0.00 0.00 61.69 61.67 1x3s s THR 8 Cb -0.02 -2.62 -0.02 0.00 0.01 0.00 0.00 72.50 69.86 1x3s s THR 8 CO -0.04 0.50 -0.15 -0.76 -0.69 0.00 0.00 174.62 173.48 1x3s s LEU 9 N 0.34 2.65 -0.27 4.42 1.43 0.59 -4.95 118.68 122.89 1x3s s LEU 9 Ca -0.05 -0.30 -0.20 0.00 -1.03 0.00 0.00 54.13 52.54 1x3s s LEU 9 Cb -0.15 -1.56 -0.02 0.00 0.03 0.00 0.00 46.19 44.49 1x3s s LEU 9 CO 0.04 0.24 0.62 -0.75 0.23 0.00 0.00 176.35 176.72 1x3s s LYS 10 N -0.08 4.04 -0.13 1.70 2.20 -1.26 -0.10 119.74 126.11 1x3s s LYS 10 Ca -0.03 0.44 0.01 0.00 -0.36 0.00 0.00 55.97 56.04 1x3s s LYS 10 Cb -0.14 -3.68 -0.00 0.00 -1.51 0.00 0.00 37.83 32.50 1x3s s LYS 10 CO 0.04 -0.46 -0.17 0.42 -0.36 0.00 0.00 175.35 174.82 1x3s s ILE 11 N 2.52 2.56 -0.10 5.43 -1.09 -0.41 -0.74 121.20 129.37 1x3s s ILE 11 Ca 0.25 -0.82 -0.02 0.00 -2.23 0.00 0.00 60.65 57.83 1x3s s ILE 11 Cb -0.15 -2.05 -0.03 0.00 -1.58 0.00 0.00 42.46 38.64 1x3s s ILE 11 CO 0.10 0.53 -0.02 -0.22 -1.23 0.00 0.00 174.94 174.10 1x3s s LEU 12 N 0.57 3.44 -0.20 2.97 2.96 -0.17 -0.21 118.68 128.05 1x3s s LEU 12 Ca -0.10 0.04 -0.02 0.00 -0.22 0.00 0.00 54.13 53.83 1x3s s LEU 12 Cb -0.16 -1.79 -0.00 0.00 0.50 0.00 0.00 46.19 44.73 1x3s s LEU 12 CO 0.04 0.31 -0.09 -0.63 -1.32 0.00 0.00 176.35 174.65 1x3s s ILE 13 N -0.49 3.00 0.16 6.68 1.01 -0.22 -0.37 121.20 130.96 1x3s s ILE 13 Ca 0.08 -0.63 0.03 0.00 0.00 0.00 0.00 60.65 60.14 1x3s s ILE 13 Cb -0.12 -2.33 -0.05 0.00 0.01 0.00 0.00 42.46 39.98 1x3s s ILE 13 CO 0.02 0.47 -0.06 0.27 0.00 0.00 0.00 174.94 175.64 1x3s s ILE 14 N 1.26 0.99 0.00 2.92 -4.36 -0.21 -2.59 121.20 119.21 1x3s s ILE 14 Ca 0.03 -2.02 0.00 0.00 -0.26 0.00 0.00 60.65 58.40 1x3s s ILE 14 Cb -0.14 -1.95 0.00 0.00 1.25 0.00 0.00 42.46 41.62 1x3s s ILE 14 CO -0.04 -0.65 0.00 0.61 0.24 0.00 0.00 174.94 175.09 1x3s n GLY 15 N -0.22 3.02 3.72 6.27 0.00 -1.26 -0.97 105.19 115.76 1x3s n GLY 15 Ca -0.09 -1.59 -0.33 0.00 0.00 0.00 0.00 46.02 44.02 1x3s n GLY 15 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1x3s s GLU 16 N -2.03 1.89 0.40 1.61 0.41 -1.26 -4.21 118.70 115.51 1x3s s GLU 16 Ca 0.00 1.56 -0.27 0.00 -0.41 0.00 0.00 54.97 55.85 1x3s s GLU 16 Cb 0.00 -1.82 -0.10 0.00 -1.78 0.00 0.00 34.13 30.42 1x3s s GLU 16 CO 0.00 -1.98 1.44 0.45 -0.49 0.00 0.00 175.26 174.68 1x3s n SER 17 N -3.27 3.48 0.00 -0.19 2.88 -1.25 -2.90 113.62 112.37 1x3s n SER 17 Ca 0.12 1.19 0.00 0.00 -1.33 0.00 0.00 58.87 58.84 1x3s n SER 17 Cb 0.51 -1.60 0.00 0.00 -0.75 0.00 0.00 64.21 62.38 1x3s n SER 17 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x3s n GLY 18 N 0.54 0.85 0.19 0.46 0.00 -1.26 -4.92 105.19 101.05 1x3s n GLY 18 Ca 0.03 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.18 1x3s n GLY 18 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1x3s h VAL 19 N 0.00 0.00 0.00 1.61 -1.51 -1.90 -3.47 116.25 110.98 1x3s h VAL 19 Ca 0.00 -0.72 0.00 0.00 -1.23 0.00 0.00 66.70 64.75 1x3s h VAL 19 Cb 0.00 1.69 0.00 0.00 -2.13 0.00 0.00 31.29 30.85 1x3s h VAL 19 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 176.95 1x3s n GLY 20 N 0.89 1.64 0.26 5.19 0.00 -1.26 -4.51 105.19 107.40 1x3s n GLY 20 Ca 0.04 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.94 1x3s n GLY 20 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1x3s h LYS 21 N 0.00 -0.38 -0.04 1.61 1.57 -1.90 0.89 116.57 118.32 1x3s h LYS 21 Ca 0.00 0.03 -0.08 0.00 -1.87 0.00 0.00 60.65 58.72 1x3s h LYS 21 Cb 0.00 0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 1x3s h LYS 21 CO 0.00 -0.25 -0.35 0.77 -0.57 0.00 0.00 179.45 179.05 1x3s h SER 22 N -0.39 0.08 -0.24 0.86 0.02 -1.96 -1.81 113.55 110.10 1x3s h SER 22 Ca 0.04 -0.03 -0.16 0.00 -0.84 0.00 0.00 61.79 60.80 1x3s h SER 22 Cb 0.44 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.96 1x3s h SER 22 CO -0.16 0.43 -0.49 0.28 -1.14 0.00 0.00 176.83 175.75 1x3s h SER 23 N 0.07 0.85 -0.68 3.07 0.02 -1.88 0.29 113.55 115.29 1x3s h SER 23 Ca 0.01 -0.55 0.02 0.00 -0.84 0.00 0.00 61.79 60.43 1x3s h SER 23 Cb 0.66 -0.24 -0.04 0.00 0.14 0.00 0.00 62.40 62.92 1x3s h SER 23 CO 0.05 1.24 0.44 -0.07 -1.14 0.00 0.00 176.83 177.34 1x3s h LEU 24 N 0.49 0.74 -0.50 5.07 3.38 -0.56 0.02 115.31 123.97 1x3s h LEU 24 Ca 0.01 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 1x3s h LEU 24 Cb 1.10 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.65 1x3s h LEU 24 CO 0.11 0.53 0.13 0.25 0.09 0.00 0.00 178.44 179.55 1x3s h LEU 25 N 0.88 0.75 -0.77 1.67 5.85 -1.12 -1.68 115.31 120.89 1x3s h LEU 25 Ca 0.26 -0.23 -0.08 0.00 0.84 0.00 0.00 57.88 58.67 1x3s h LEU 25 Cb -0.05 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 40.76 1x3s h LEU 25 CO -0.08 0.78 0.02 0.25 -0.34 0.00 0.00 178.44 179.07 1x3s h LEU 26 N 0.68 0.93 -0.70 2.25 5.85 -0.67 0.13 115.31 123.77 1x3s h LEU 26 Ca 0.16 -0.24 -0.00 0.00 0.84 0.00 0.00 57.88 58.64 1x3s h LEU 26 Cb 0.32 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.07 1x3s h LEU 26 CO 0.00 0.97 0.42 -0.09 -0.34 0.00 0.00 178.44 179.40 1x3s h ARG 27 N 0.89 0.95 -0.34 1.25 9.65 -0.82 0.13 114.38 126.08 1x3s h ARG 27 Ca 0.17 -0.09 -0.17 0.00 -1.10 0.00 0.00 59.98 58.80 1x3s h ARG 27 Cb 0.49 -0.20 -0.00 0.00 -1.39 0.00 0.00 29.97 28.87 1x3s h ARG 27 CO 0.02 0.68 -0.43 0.35 2.80 0.00 0.00 179.97 183.39 1x3s h PHE 28 N 0.96 1.10 0.05 2.20 3.57 -0.63 -1.17 116.94 123.01 1x3s h PHE 28 Ca 0.25 -0.35 -0.29 0.00 3.53 0.00 0.00 57.97 61.11 1x3s h PHE 28 Cb -0.03 -0.22 -0.03 0.00 2.79 0.00 0.00 35.95 38.46 1x3s h PHE 28 CO -0.01 1.18 -1.59 1.79 -2.23 0.00 0.00 178.31 177.44 1x3s h THR 29 N 0.70 1.03 0.00 4.41 1.35 -0.67 -3.40 112.91 116.34 1x3s h THR 29 Ca 0.04 -2.78 0.00 0.00 -0.55 0.00 0.00 66.41 63.12 1x3s h THR 29 Cb 1.03 2.59 0.00 0.00 -1.73 0.00 0.00 68.15 70.04 1x3s h THR 29 CO 0.10 0.71 0.00 0.47 -0.25 0.00 0.00 175.52 176.55 1x3s n ASP 30 N -3.27 0.77 -3.75 5.36 9.92 0.42 -5.02 116.55 120.98 1x3s n ASP 30 Ca -0.16 -0.90 -0.26 0.00 -0.53 0.00 0.00 54.79 52.94 1x3s n ASP 30 Cb 1.03 0.19 0.05 0.00 -0.64 0.00 0.00 41.12 41.76 1x3s n ASP 30 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 1x3s n ASP 31 N -0.19 -5.02 -3.62 -2.24 10.43 -0.44 -4.97 116.55 110.50 1x3s n ASP 31 Ca 0.00 -0.68 -0.13 0.00 2.57 0.00 0.00 54.79 56.55 1x3s n ASP 31 Cb 0.01 -4.41 -0.06 0.00 1.84 0.00 0.00 41.12 38.49 1x3s n ASP 31 CO 0.00 0.00 0.00 0.28 -1.07 0.00 0.00 177.20 176.41 1x3s s THR 32 N -3.34 0.00 -0.00 -3.53 -1.32 -1.24 -5.00 115.64 101.20 1x3s s THR 32 Ca 0.55 -1.67 0.01 0.00 -1.21 0.00 0.00 61.69 59.38 1x3s s THR 32 Cb -0.26 -2.50 -0.00 0.00 -1.51 0.00 0.00 72.50 68.23 1x3s s THR 32 CO 0.78 0.00 -0.04 0.12 -2.21 0.00 0.00 174.62 173.28 1x3s s PHE 33 N -3.53 0.36 -0.26 9.09 5.36 -1.26 -3.25 117.98 124.49 1x3s s PHE 33 Ca 0.31 -0.07 0.01 0.00 -0.96 0.00 0.00 56.93 56.23 1x3s s PHE 33 Cb 0.01 -0.24 0.07 0.00 -0.34 0.00 0.00 43.02 42.52 1x3s s PHE 33 CO 0.17 -0.01 -0.04 0.34 -1.46 0.00 0.00 175.22 174.22 1x3s s ASP 34 N -0.04 4.08 0.61 6.13 -1.08 -1.26 -4.99 116.67 120.12 1x3s s ASP 34 Ca 0.01 -1.38 0.40 0.00 -0.52 0.00 0.00 52.55 51.06 1x3s s ASP 34 Cb -0.02 -1.27 2.04 0.00 -1.46 0.00 0.00 42.92 42.21 1x3s s ASP 34 CO -0.00 -0.26 2.21 -0.65 0.52 0.00 0.00 175.17 176.99 1x3s h PRO 35 N 7.89 0.00 -0.21 4.34 0.11 -2.03 -2.16 132.00 139.93 1x3s h PRO 35 Ca -0.16 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.88 1x3s h PRO 35 Cb 1.06 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.12 1x3s h PRO 35 CO 0.44 0.00 -0.11 0.39 -0.21 0.00 0.00 178.00 178.51 1x3s n GLU 36 N -3.01 1.97 -1.64 1.05 -0.58 -1.26 -5.05 120.64 112.11 1x3s n GLU 36 Ca -0.02 -3.01 -0.47 0.00 -0.42 0.00 0.00 57.16 53.24 1x3s n GLU 36 Cb 0.13 -1.74 -0.04 0.00 -0.57 0.00 0.00 31.44 29.23 1x3s n GLU 36 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 1x3s n LEU 37 N -1.03 2.65 -4.77 -4.62 7.94 -0.82 -4.92 117.00 111.43 1x3s n LEU 37 Ca 0.25 1.11 -0.38 0.00 -1.11 0.00 0.00 56.01 55.88 1x3s n LEU 37 Cb 0.88 -1.36 -0.02 0.00 0.53 0.00 0.00 43.42 43.45 1x3s n LEU 37 CO 0.11 -0.59 0.83 0.00 -1.11 0.00 0.00 177.39 176.63 1x3s s ALA 38 N 0.46 3.15 0.46 1.96 0.00 -1.26 -4.99 121.76 121.54 1x3s s ALA 38 Ca 0.77 0.95 -0.24 0.00 0.00 0.00 0.00 51.96 53.43 1x3s s ALA 38 Cb -0.74 -3.37 -0.08 0.00 0.00 0.00 0.00 23.12 18.92 1x3s s ALA 38 CO 0.44 -0.50 1.27 0.00 0.00 0.00 0.00 175.76 176.97 1x3s n ALA 39 N 0.08 1.28 -2.23 0.00 0.00 -1.26 -4.94 120.51 113.44 1x3s n ALA 39 Ca 0.04 0.22 -0.41 0.00 0.00 0.00 0.00 53.44 53.29 1x3s n ALA 39 Cb 0.47 -2.27 -0.04 0.00 0.00 0.00 0.00 19.45 17.60 1x3s n ALA 39 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1x3s s THR 40 N -1.24 4.38 -0.23 0.00 2.01 -1.26 -5.03 115.64 114.26 1x3s s THR 40 Ca 0.64 1.99 -0.04 0.00 0.31 0.00 0.00 61.69 64.59 1x3s s THR 40 Cb -0.48 -4.27 -0.00 0.00 0.01 0.00 0.00 72.50 67.76 1x3s s THR 40 CO 0.56 0.31 -0.03 -0.63 -0.69 0.00 0.00 174.62 174.14 1x3s s ILE 41 N -0.03 3.42 0.00 1.82 1.01 -1.26 -4.51 121.20 121.65 1x3s s ILE 41 Ca 0.47 -0.57 0.00 0.00 0.00 0.00 0.00 60.65 60.55 1x3s s ILE 41 Cb -0.24 -2.61 0.00 0.00 0.01 0.00 0.00 42.46 39.62 1x3s s ILE 41 CO 0.31 0.35 0.00 0.61 0.00 0.00 0.00 174.94 176.20 1x3s n GLY 42 N 4.79 0.76 3.10 6.18 0.00 -0.34 -4.72 105.19 114.97 1x3s n GLY 42 Ca -0.17 -0.62 -0.23 0.00 0.00 0.00 0.00 46.02 45.00 1x3s n GLY 42 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x3s s VAL 43 N 0.00 1.18 -0.28 1.61 0.11 -1.26 -1.43 120.40 120.33 1x3s s VAL 43 Ca 0.00 -0.60 -0.07 0.00 -2.93 0.00 0.00 61.98 58.38 1x3s s VAL 43 Cb 0.00 -1.00 -0.00 0.00 -1.53 0.00 0.00 36.38 33.84 1x3s s VAL 43 CO 0.00 0.34 0.07 -0.62 -3.33 0.00 0.00 175.10 171.56 1x3s s ASP 44 N -0.10 5.08 -0.17 3.54 2.15 0.09 -4.94 116.67 122.31 1x3s s ASP 44 Ca 0.01 -0.55 -0.07 0.00 0.43 0.00 0.00 52.55 52.37 1x3s s ASP 44 Cb -0.08 -1.89 -0.04 0.00 -0.30 0.00 0.00 42.92 40.61 1x3s s ASP 44 CO 0.01 -0.14 0.07 0.12 -0.17 0.00 0.00 175.17 175.06 1x3s s PHE 45 N 1.53 3.28 0.03 -5.34 5.36 -1.26 -1.35 117.98 120.23 1x3s s PHE 45 Ca 0.04 0.13 0.02 0.00 -0.96 0.00 0.00 56.93 56.16 1x3s s PHE 45 Cb -0.16 -2.06 -0.02 0.00 -0.34 0.00 0.00 43.02 40.44 1x3s s PHE 45 CO 0.02 0.22 -0.07 0.15 -1.46 0.00 0.00 175.22 174.08 1x3s s LYS 46 N 0.21 0.52 -0.09 10.12 -0.14 -0.27 -4.98 119.74 125.11 1x3s s LYS 46 Ca 0.05 -0.59 0.03 0.00 -1.36 0.00 0.00 55.97 54.10 1x3s s LYS 46 Cb -0.12 -0.37 -0.01 0.00 -1.68 0.00 0.00 37.83 35.65 1x3s s LYS 46 CO 0.00 0.08 -0.20 0.08 -0.76 0.00 0.00 175.35 174.55 1x3s s VAL 47 N -0.98 2.47 -0.11 3.17 1.01 -1.26 -0.54 120.40 124.16 1x3s s VAL 47 Ca -0.06 -0.89 -0.10 0.00 0.00 0.00 0.00 61.98 60.93 1x3s s VAL 47 Cb -0.08 -1.96 0.03 0.00 0.00 0.00 0.00 36.38 34.37 1x3s s VAL 47 CO 0.00 0.56 0.30 -0.75 0.00 0.00 0.00 175.10 175.21 1x3s s LYS 48 N 0.04 0.34 -0.16 2.72 2.20 -0.76 -4.98 119.74 119.15 1x3s s LYS 48 Ca -0.08 0.43 -0.05 0.00 -0.36 0.00 0.00 55.97 55.92 1x3s s LYS 48 Cb -0.15 0.15 -0.03 0.00 -1.51 0.00 0.00 37.83 36.29 1x3s s LYS 48 CO 0.05 -0.05 -0.01 0.99 -0.36 0.00 0.00 175.35 175.97 1x3s s THR 49 N 0.26 4.11 0.27 3.43 2.01 -1.26 -0.04 115.64 124.43 1x3s s THR 49 Ca -0.01 -0.28 0.04 0.00 0.31 0.00 0.00 61.69 61.75 1x3s s THR 49 Cb -0.03 -2.82 -0.06 0.00 0.01 0.00 0.00 72.50 69.61 1x3s s THR 49 CO -0.01 0.48 0.01 0.27 -0.69 0.00 0.00 174.62 174.69 1x3s s ILE 50 N 0.37 1.20 -0.14 1.82 -4.36 -0.53 -4.96 121.20 114.60 1x3s s ILE 50 Ca -0.02 -2.04 0.01 0.00 -0.26 0.00 0.00 60.65 58.33 1x3s s ILE 50 Cb -0.14 -2.53 -0.00 0.00 1.25 0.00 0.00 42.46 41.04 1x3s s ILE 50 CO 0.02 -0.20 -0.16 -0.55 0.24 0.00 0.00 174.94 174.30 1x3s s SER 51 N -3.40 3.66 -0.00 4.36 0.15 -1.26 -0.81 113.70 116.40 1x3s s SER 51 Ca 0.32 -0.45 0.00 0.00 0.70 0.00 0.00 55.95 56.52 1x3s s SER 51 Cb 0.06 -1.55 0.00 0.00 -1.71 0.00 0.00 66.02 62.82 1x3s s SER 51 CO 0.12 0.11 -0.00 0.68 1.20 0.00 0.00 173.24 175.35 1x3s s VAL 52 N 0.65 0.02 -1.25 4.45 -7.23 -0.39 -4.84 120.40 111.82 1x3s s VAL 52 Ca -0.08 0.01 -0.08 0.00 -1.81 0.00 0.00 61.98 60.02 1x3s s VAL 52 Cb -0.16 -0.04 0.06 0.00 0.56 0.00 0.00 36.38 36.80 1x3s s VAL 52 CO 0.02 0.02 0.42 0.47 -0.31 0.00 0.00 175.10 175.72 1x3s n ASP 53 N 3.18 -3.81 0.00 4.85 8.00 -1.26 -1.47 116.55 126.05 1x3s n ASP 53 Ca -0.14 -0.30 0.00 0.00 0.71 0.00 0.00 54.79 55.07 1x3s n ASP 53 Cb 0.59 -3.16 0.00 0.00 -0.02 0.00 0.00 41.12 38.53 1x3s n ASP 53 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1x3s n GLY 54 N -1.13 0.83 3.44 0.44 0.00 -1.26 -5.04 105.19 102.47 1x3s n GLY 54 Ca -0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.67 1x3s n GLY 54 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1x3s s ASN 55 N -2.70 3.76 -0.16 1.61 0.01 -0.54 -5.12 114.94 111.80 1x3s s ASN 55 Ca 0.00 -0.33 -0.14 0.00 -0.71 0.00 0.00 52.86 51.68 1x3s s ASN 55 Cb 0.00 -0.66 -0.05 0.00 0.41 0.00 0.00 41.25 40.95 1x3s s ASN 55 CO 0.00 0.31 0.29 -0.54 -1.51 0.00 0.00 177.10 175.65 1x3s s LYS 56 N -0.97 4.26 -0.08 -0.60 1.02 -1.26 -1.26 119.74 120.84 1x3s s LYS 56 Ca 0.12 0.10 0.04 0.00 0.02 0.00 0.00 55.97 56.25 1x3s s LYS 56 Cb -0.10 -3.43 0.00 0.00 -0.52 0.00 0.00 37.83 33.78 1x3s s LYS 56 CO 0.02 0.23 -0.21 0.00 -0.92 0.00 0.00 175.35 174.47 1x3s s ALA 57 N 0.48 1.94 -0.17 5.17 0.00 0.01 -0.34 121.76 128.85 1x3s s ALA 57 Ca 0.17 -0.85 -0.21 0.00 0.00 0.00 0.00 51.96 51.07 1x3s s ALA 57 Cb -0.13 -0.73 -0.03 0.00 0.00 0.00 0.00 23.12 22.23 1x3s s ALA 57 CO 0.04 0.27 0.61 0.21 0.00 0.00 0.00 175.76 176.89 1x3s s LYS 58 N 0.34 4.25 -0.24 0.00 2.20 -0.29 -1.45 119.74 124.55 1x3s s LYS 58 Ca -0.16 0.61 -0.10 0.00 -0.36 0.00 0.00 55.97 55.96 1x3s s LYS 58 Cb -0.17 -3.55 -0.05 0.00 -1.51 0.00 0.00 37.83 32.56 1x3s s LYS 58 CO 0.07 -0.15 0.15 -0.51 -0.36 0.00 0.00 175.35 174.55 1x3s s LEU 59 N 1.61 4.09 -0.46 5.43 1.43 0.94 -0.30 118.68 131.43 1x3s s LEU 59 Ca 0.29 0.11 -0.11 0.00 -1.03 0.00 0.00 54.13 53.39 1x3s s LEU 59 Cb -0.16 -2.09 0.10 0.00 0.03 0.00 0.00 46.19 44.07 1x3s s LEU 59 CO 0.11 0.07 0.35 0.00 0.23 0.00 0.00 176.35 177.11 1x3s s ALA 60 N 1.00 3.42 -0.24 4.21 0.00 0.86 -1.82 121.76 129.19 1x3s s ALA 60 Ca 0.07 -2.35 -0.08 0.00 0.00 0.00 0.00 51.96 49.60 1x3s s ALA 60 Cb -0.13 -2.87 -0.04 0.00 0.00 0.00 0.00 23.12 20.08 1x3s s ALA 60 CO 0.04 -1.81 0.09 0.42 0.00 0.00 0.00 175.76 174.50 1x3s s ILE 61 N 1.46 4.63 -0.46 0.00 1.01 0.30 -1.29 121.20 126.85 1x3s s ILE 61 Ca 0.04 -0.07 -0.13 0.00 0.00 0.00 0.00 60.65 60.49 1x3s s ILE 61 Cb -0.25 -3.16 0.09 0.00 0.01 0.00 0.00 42.46 39.15 1x3s s ILE 61 CO 0.02 0.35 0.36 0.26 0.00 0.00 0.00 174.94 175.92 1x3s s TRP 62 N 1.36 3.29 -0.39 3.97 0.52 0.71 -1.12 118.94 127.29 1x3s s TRP 62 Ca 0.06 -1.27 -0.17 0.00 0.02 0.00 0.00 56.10 54.74 1x3s s TRP 62 Cb -0.15 -3.21 0.01 0.00 -1.15 0.00 0.00 33.47 28.97 1x3s s TRP 62 CO 0.05 -0.86 0.44 0.34 0.02 0.00 0.00 176.95 176.93 1x3s s ASP 63 N 2.58 6.21 0.28 2.95 2.15 -0.46 -1.05 116.67 129.33 1x3s s ASP 63 Ca 0.04 -0.45 0.03 0.00 0.43 0.00 0.00 52.55 52.59 1x3s s ASP 63 Cb -0.25 -2.23 -0.03 0.00 -0.30 0.00 0.00 42.92 40.11 1x3s s ASP 63 CO 0.04 -0.51 0.43 0.42 -0.17 0.00 0.00 175.17 175.38 1x3s s THR 64 N 2.17 5.20 0.23 1.71 -4.23 -1.07 -0.74 115.64 118.92 1x3s s THR 64 Ca 0.13 -0.74 -0.30 0.00 -1.18 0.00 0.00 61.69 59.61 1x3s s THR 64 Cb -0.17 -3.85 -0.09 0.00 1.34 0.00 0.00 72.50 69.73 1x3s s THR 64 CO 0.13 -0.41 1.20 0.00 -0.54 0.00 0.00 174.62 175.01 1x3s s ALA 65 N -2.10 3.45 -0.31 3.99 0.00 -0.52 -4.91 121.76 121.36 1x3s s ALA 65 Ca 0.37 1.00 0.22 0.00 0.00 0.00 0.00 51.96 53.54 1x3s s ALA 65 Cb -0.09 -3.41 0.36 0.00 0.00 0.00 0.00 23.12 19.97 1x3s s ALA 65 CO 0.32 -0.37 1.60 0.78 0.00 0.00 0.00 175.76 178.08 1x3s h GLY 66 N 4.60 0.00 -6.00 0.00 0.00 -1.83 -3.44 103.07 96.40 1x3s h GLY 66 Ca -0.46 0.00 -0.59 0.00 0.00 0.00 0.00 47.33 46.28 1x3s h GLY 66 CO 0.71 0.00 0.63 1.20 0.00 0.00 0.00 176.54 179.08 1x3s s GLN 67 N -3.19 3.99 0.46 4.80 -0.21 -1.26 -3.89 119.66 120.36 1x3s s GLN 67 Ca 0.06 0.81 0.23 0.00 0.02 0.00 0.00 55.36 56.47 1x3s s GLN 67 Cb 0.06 -3.74 1.23 0.00 1.00 0.00 0.00 33.01 31.56 1x3s s GLN 67 CO 0.68 -0.81 1.85 1.49 -2.12 0.00 0.00 175.29 176.38 1x3s h GLU 68 N 8.14 0.25 0.00 2.91 4.22 -1.97 0.58 114.58 128.72 1x3s h GLU 68 Ca -0.22 -0.02 0.00 0.00 0.08 0.00 0.00 59.36 59.20 1x3s h GLU 68 Cb 1.08 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.27 1x3s h GLU 68 CO 0.96 0.17 0.00 2.89 -2.18 0.00 0.00 179.01 180.85 1x3s n ARG 69 N -4.44 0.15 -0.24 1.92 1.85 -1.26 -2.17 116.66 112.48 1x3s n ARG 69 Ca 0.20 0.45 0.07 0.00 -1.00 0.00 0.00 57.85 57.58 1x3s n ARG 69 Cb 0.83 -1.83 0.20 0.00 -1.05 0.00 0.00 32.46 30.62 1x3s n ARG 69 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 1x3s n PHE 70 N -2.12 0.62 -4.07 2.89 3.72 0.20 -4.95 117.46 113.74 1x3s n PHE 70 Ca 0.01 -0.50 -0.36 0.00 -0.05 0.00 0.00 57.45 56.56 1x3s n PHE 70 Cb 0.17 -0.02 -0.08 0.00 -0.94 0.00 0.00 39.48 38.62 1x3s n PHE 70 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 1x3s s ARG 71 N -1.00 3.34 0.01 -1.08 0.52 -0.92 -1.20 118.95 118.62 1x3s s ARG 71 Ca 0.31 -0.25 -0.10 0.00 -0.52 0.00 0.00 55.73 55.17 1x3s s ARG 71 Cb 0.16 -3.05 0.01 0.00 0.52 0.00 0.00 34.95 32.59 1x3s s ARG 71 CO 0.21 0.69 0.20 0.95 0.02 0.00 0.00 175.30 177.37 1x3s s THR 72 N -0.81 0.08 -1.38 0.02 -4.23 -1.26 -4.88 115.64 103.18 1x3s s THR 72 Ca 0.13 -0.70 -0.05 0.00 -1.18 0.00 0.00 61.69 59.89 1x3s s THR 72 Cb -0.12 -0.62 0.03 0.00 1.34 0.00 0.00 72.50 73.14 1x3s s THR 72 CO 0.03 -0.38 0.83 0.18 -0.54 0.00 0.00 174.62 174.73 1x3s n LEU 73 N 1.18 -2.96 -0.32 4.79 4.77 -1.26 -4.88 117.00 118.32 1x3s n LEU 73 Ca -0.21 -0.79 0.04 0.00 -0.03 0.00 0.00 56.01 55.02 1x3s n LEU 73 Cb 0.57 -2.66 0.18 0.00 -2.33 0.00 0.00 43.42 39.18 1x3s n LEU 73 CO 0.22 0.44 1.18 0.74 -1.33 0.00 0.00 177.39 178.64 1x3s h THR 74 N -1.99 0.95 -0.50 -5.08 2.02 -2.01 -0.44 112.91 105.86 1x3s h THR 74 Ca -0.60 -0.31 0.10 0.00 0.77 0.00 0.00 66.41 66.37 1x3s h THR 74 Cb 1.36 -0.04 -0.03 0.00 -1.74 0.00 0.00 68.15 67.71 1x3s h THR 74 CO 0.60 0.17 0.34 -0.65 0.37 0.00 0.00 175.52 176.34 1x3s h PRO 75 N 0.91 0.25 -0.05 6.66 0.11 -2.01 -0.86 132.00 137.01 1x3s h PRO 75 Ca 0.42 -0.02 -0.08 0.00 0.11 0.00 0.00 66.00 66.44 1x3s h PRO 75 Cb 0.35 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 31.39 1x3s h PRO 75 CO -0.23 0.17 -0.33 0.66 -0.21 0.00 0.00 178.00 178.06 1x3s h SER 76 N 0.26 0.10 -0.33 -2.05 4.64 -1.43 -0.63 113.55 114.10 1x3s h SER 76 Ca 0.23 -0.03 -0.02 0.00 -0.47 0.00 0.00 61.79 61.50 1x3s h SER 76 Cb 0.57 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 62.62 1x3s h SER 76 CO -0.05 0.42 0.13 1.88 -0.87 0.00 0.00 176.83 178.35 1x3s h TYR 77 N 0.09 0.50 0.00 4.77 0.99 -1.06 -3.23 116.97 119.02 1x3s h TYR 77 Ca 0.01 -0.04 -0.18 0.00 2.00 0.00 0.00 58.73 60.52 1x3s h TYR 77 Cb 0.62 -0.15 -0.03 0.00 1.00 0.00 0.00 36.73 38.18 1x3s h TYR 77 CO 0.00 0.47 -0.92 1.88 -0.00 0.00 0.00 178.16 179.59 1x3s h TYR 78 N 0.38 0.00 -2.30 4.88 -1.99 -1.37 -3.43 116.97 113.14 1x3s h TYR 78 Ca 0.11 0.00 -0.57 0.00 2.00 0.00 0.00 58.73 60.27 1x3s h TYR 78 Cb 0.18 0.00 0.04 0.00 2.00 0.00 0.00 36.73 38.95 1x3s h TYR 78 CO -0.01 0.82 0.98 -2.13 -0.00 0.00 0.00 178.16 177.82 1x3s n ARG 79 N -3.26 2.39 -0.60 4.88 0.63 -0.27 -1.48 116.66 118.94 1x3s n ARG 79 Ca -0.01 0.87 0.00 0.00 -0.92 0.00 0.00 57.85 57.78 1x3s n ARG 79 Cb 0.88 -2.70 0.00 0.00 0.45 0.00 0.00 32.46 31.09 1x3s n ARG 79 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1x3s n GLY 80 N 3.94 1.70 3.77 5.14 0.00 -1.26 -4.99 105.19 113.48 1x3s n GLY 80 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 1x3s n GLY 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x3s s ALA 81 N -3.51 3.59 -0.09 4.61 0.00 -0.55 -4.63 121.76 121.18 1x3s s ALA 81 Ca 0.00 1.51 0.07 0.00 0.00 0.00 0.00 51.96 53.55 1x3s s ALA 81 Cb 0.00 -3.59 -0.11 0.00 0.00 0.00 0.00 23.12 19.42 1x3s s ALA 81 CO 0.00 -0.97 0.02 1.04 0.00 0.00 0.00 175.76 175.85 1x3s n GLN 82 N 0.87 2.37 -4.22 0.00 6.02 0.08 -4.91 117.38 117.58 1x3s n GLN 82 Ca 0.02 0.00 -0.17 0.00 -0.01 0.00 0.00 57.00 56.84 1x3s n GLN 82 Cb 0.39 -1.23 -0.13 0.00 1.02 0.00 0.00 30.24 30.29 1x3s n GLN 82 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 1x3s s GLY 83 N -4.18 0.54 -0.06 1.08 0.00 -0.97 -1.81 107.32 101.92 1x3s s GLY 83 Ca -0.05 -0.62 0.02 0.00 0.00 0.00 0.00 44.72 44.06 1x3s s GLY 83 CO 0.36 -0.61 -0.08 0.14 0.00 0.00 0.00 173.10 172.91 1x3s s VAL 84 N -0.77 0.85 -0.32 1.40 1.01 -0.21 -1.00 120.40 121.36 1x3s s VAL 84 Ca -0.02 -0.30 -0.09 0.00 0.00 0.00 0.00 61.98 61.57 1x3s s VAL 84 Cb -0.07 -0.82 0.00 0.00 0.00 0.00 0.00 36.38 35.50 1x3s s VAL 84 CO 0.00 0.30 0.15 -0.63 0.00 0.00 0.00 175.10 174.92 1x3s s ILE 85 N 0.84 4.48 -0.24 2.22 1.01 0.50 -4.33 121.20 125.68 1x3s s ILE 85 Ca -0.12 -0.58 -0.11 0.00 0.00 0.00 0.00 60.65 59.84 1x3s s ILE 85 Cb -0.15 -3.34 -0.05 0.00 0.01 0.00 0.00 42.46 38.93 1x3s s ILE 85 CO 0.01 -0.01 0.18 -0.76 0.00 0.00 0.00 174.94 174.37 1x3s s LEU 86 N 1.58 4.11 -0.04 2.97 1.02 -1.26 -1.05 118.68 126.00 1x3s s LEU 86 Ca 0.04 0.13 0.06 0.00 0.02 0.00 0.00 54.13 54.38 1x3s s LEU 86 Cb -0.18 -2.14 -0.02 0.00 0.02 0.00 0.00 46.19 43.88 1x3s s LEU 86 CO 0.06 0.04 -0.23 -0.69 0.02 0.00 0.00 176.35 175.54 1x3s s VAL 87 N 1.16 2.26 0.24 -1.59 1.01 -0.14 -0.82 120.40 122.51 1x3s s VAL 87 Ca 0.08 -1.01 0.04 0.00 0.00 0.00 0.00 61.98 61.09 1x3s s VAL 87 Cb -0.14 -1.82 -0.05 0.00 0.00 0.00 0.00 36.38 34.37 1x3s s VAL 87 CO 0.05 0.58 -0.03 -0.72 0.00 0.00 0.00 175.10 174.98 1x3s s TYR 88 N -0.44 1.64 -0.27 5.22 1.13 -0.37 -4.15 117.35 120.11 1x3s s TYR 88 Ca 0.05 -0.85 -0.10 0.00 -1.41 0.00 0.00 57.07 54.76 1x3s s TYR 88 Cb -0.12 -0.94 -0.05 0.00 -1.10 0.00 0.00 41.96 39.76 1x3s s TYR 88 CO 0.01 0.05 0.16 0.34 -2.51 0.00 0.00 175.55 173.61 1x3s s ASP 89 N -3.33 5.83 0.29 -0.18 -1.08 -1.26 -0.59 116.67 116.35 1x3s s ASP 89 Ca 0.28 -0.04 0.22 0.00 -0.52 0.00 0.00 52.55 52.49 1x3s s ASP 89 Cb 0.05 -2.07 1.08 0.00 -1.46 0.00 0.00 42.92 40.52 1x3s s ASP 89 CO 0.09 -0.04 1.68 1.33 0.52 0.00 0.00 175.17 178.75 1x3s n VAL 90 N 4.96 0.96 1.45 1.11 0.24 -0.34 -1.19 118.33 125.52 1x3s n VAL 90 Ca -0.15 0.52 0.14 0.00 -2.04 0.00 0.00 64.34 62.81 1x3s n VAL 90 Cb 0.52 -1.49 0.49 0.00 -1.47 0.00 0.00 33.84 31.89 1x3s n VAL 90 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1x3s n THR 91 N -2.25 0.00 -3.61 3.34 -2.24 -1.26 0.02 114.28 108.28 1x3s n THR 91 Ca 0.00 -0.25 -0.29 0.00 -2.27 0.00 0.00 64.05 61.24 1x3s n THR 91 Cb 0.12 0.54 -0.14 0.00 -2.10 0.00 0.00 70.33 68.75 1x3s n THR 91 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1x3s s ARG 92 N -2.04 0.57 0.34 -0.78 0.52 -0.34 -4.30 118.95 112.93 1x3s s ARG 92 Ca 0.36 -1.06 0.08 0.00 -0.52 0.00 0.00 55.73 54.60 1x3s s ARG 92 Cb 0.21 -1.62 0.80 0.00 0.52 0.00 0.00 34.95 34.86 1x3s s ARG 92 CO 0.35 -1.06 1.85 -0.09 0.02 0.00 0.00 175.30 176.36 1x3s h ARG 93 N 7.82 0.70 -0.76 3.54 2.43 -1.84 -0.58 114.38 125.68 1x3s h ARG 93 Ca -0.10 -0.04 0.08 0.00 -0.81 0.00 0.00 59.98 59.11 1x3s h ARG 93 Cb 0.99 -0.16 -0.05 0.00 -0.42 0.00 0.00 29.97 30.34 1x3s h ARG 93 CO 0.42 0.46 0.50 0.38 -1.51 0.00 0.00 179.97 180.22 1x3s h ASP 94 N 0.72 0.65 1.15 -3.80 2.03 -1.94 -0.70 116.42 114.53 1x3s h ASP 94 Ca 0.48 0.01 -0.04 0.00 -0.73 0.00 0.00 57.03 56.75 1x3s h ASP 94 Cb 0.76 -0.13 -0.01 0.00 -0.83 0.00 0.00 39.33 39.13 1x3s h ASP 94 CO -0.24 0.40 -0.19 0.71 -1.03 0.00 0.00 179.24 178.89 1x3s h THR 95 N 0.72 0.42 0.09 1.15 1.35 -1.42 -1.25 112.91 113.98 1x3s h THR 95 Ca 0.34 -1.13 -0.21 0.00 -0.55 0.00 0.00 66.41 64.86 1x3s h THR 95 Cb 0.37 1.83 0.02 0.00 -1.73 0.00 0.00 68.15 68.65 1x3s h THR 95 CO -0.12 0.19 -0.87 0.15 -0.25 0.00 0.00 175.52 174.61 1x3s h PHE 96 N 0.00 0.71 -0.26 4.73 3.57 -1.15 -3.25 116.94 121.29 1x3s h PHE 96 Ca -0.00 -0.45 -0.09 0.00 3.53 0.00 0.00 57.97 60.96 1x3s h PHE 96 Cb 0.82 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.49 1x3s h PHE 96 CO 0.00 1.31 -0.23 0.28 -2.23 0.00 0.00 178.31 177.43 1x3s h VAL 97 N -0.09 1.26 0.00 1.41 2.07 -1.04 -2.06 116.25 117.81 1x3s h VAL 97 Ca -0.13 -1.24 0.00 0.00 0.82 0.00 0.00 66.70 66.15 1x3s h VAL 97 Cb 1.61 1.32 0.00 0.00 -1.52 0.00 0.00 31.29 32.70 1x3s h VAL 97 CO 0.17 0.40 0.00 0.29 0.02 0.00 0.00 177.57 178.44 1x3s n LYS 98 N -4.13 0.04 0.15 1.57 4.76 -0.48 -2.17 118.16 117.90 1x3s n LYS 98 Ca -0.00 0.29 0.12 0.00 -2.87 0.00 0.00 58.31 55.85 1x3s n LYS 98 Cb 0.40 -1.50 0.55 0.00 -1.84 0.00 0.00 35.03 32.64 1x3s n LYS 98 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 1x3s h LEU 99 N 0.00 0.00 -0.67 -0.35 4.07 -1.40 -1.20 115.31 115.77 1x3s h LEU 99 Ca 0.00 0.00 -0.14 0.00 0.08 0.00 0.00 57.88 57.82 1x3s h LEU 99 Cb 0.16 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.89 1x3s h LEU 99 CO 0.00 0.00 -0.53 0.44 -1.08 0.00 0.00 178.44 177.27 1x3s h ASP 100 N 0.00 0.42 -0.48 -0.43 3.32 -1.64 -0.14 116.42 117.46 1x3s h ASP 100 Ca 0.00 -0.21 -0.13 0.00 0.02 0.00 0.00 57.03 56.70 1x3s h ASP 100 Cb 0.26 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.68 1x3s h ASP 100 CO 0.00 0.87 -0.22 0.78 -1.72 0.00 0.00 179.24 178.95 1x3s h ASN 101 N 0.29 1.02 -0.33 6.45 -0.26 -1.44 -1.63 115.58 119.68 1x3s h ASN 101 Ca 0.01 -0.40 -0.10 0.00 -0.56 0.00 0.00 56.30 55.25 1x3s h ASN 101 Cb 1.02 -0.28 -0.02 0.00 -1.06 0.00 0.00 38.32 37.99 1x3s h ASN 101 CO 0.09 1.19 -0.16 -0.50 -1.06 0.00 0.00 177.43 176.99 1x3s h TRP 102 N 0.85 0.87 -0.40 1.19 4.06 -1.27 -1.80 115.95 119.45 1x3s h TRP 102 Ca 0.11 -0.18 -0.12 0.00 2.06 0.00 0.00 58.89 60.76 1x3s h TRP 102 Cb 0.80 -0.22 -0.01 0.00 -1.00 0.00 0.00 29.16 28.73 1x3s h TRP 102 CO 0.05 0.88 -0.22 1.25 -3.56 0.00 0.00 178.44 176.84 1x3s h LEU 103 N 0.70 0.82 -0.75 -4.49 5.85 -0.88 -0.27 115.31 116.28 1x3s h LEU 103 Ca 0.11 -0.30 -0.01 0.00 0.84 0.00 0.00 57.88 58.52 1x3s h LEU 103 Cb 0.65 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.42 1x3s h LEU 103 CO 0.05 1.02 0.43 0.78 -0.34 0.00 0.00 178.44 180.37 1x3s h ASN 104 N 0.70 0.93 -0.23 1.25 2.35 -0.97 0.52 115.58 120.14 1x3s h ASN 104 Ca 0.10 -0.09 -0.03 0.00 -0.55 0.00 0.00 56.30 55.73 1x3s h ASN 104 Cb 0.75 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.87 1x3s h ASN 104 CO 0.06 0.74 0.03 -0.08 -1.65 0.00 0.00 177.43 176.54 1x3s h GLU 105 N 1.03 0.38 -0.68 0.81 4.81 -0.89 -2.74 114.58 117.30 1x3s h GLU 105 Ca 0.27 -0.10 0.02 0.00 -0.13 0.00 0.00 59.36 59.42 1x3s h GLU 105 Cb 0.01 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.31 1x3s h GLU 105 CO -0.05 0.52 0.45 1.25 -0.73 0.00 0.00 179.01 180.46 1x3s h LEU 106 N 0.18 0.74 0.00 1.64 5.85 -0.68 -1.44 115.31 121.59 1x3s h LEU 106 Ca 0.07 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.78 1x3s h LEU 106 Cb 0.33 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.18 1x3s h LEU 106 CO 0.00 0.52 0.00 -0.62 -0.34 0.00 0.00 178.44 178.00 1x3s n GLU 107 N -4.45 0.15 0.00 1.25 1.02 0.14 -1.07 120.64 117.68 1x3s n GLU 107 Ca 0.08 0.14 0.13 0.00 -0.02 0.00 0.00 57.16 57.49 1x3s n GLU 107 Cb 0.09 -1.50 0.40 0.00 -0.02 0.00 0.00 31.44 30.42 1x3s n GLU 107 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1x3s n THR 108 N -1.38 0.00 -3.10 2.62 -2.24 -0.54 -3.92 114.28 105.72 1x3s n THR 108 Ca 0.07 -0.03 -0.34 0.00 -2.27 0.00 0.00 64.05 61.48 1x3s n THR 108 Cb 0.18 0.07 -0.03 0.00 -2.10 0.00 0.00 70.33 68.45 1x3s n THR 108 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1x3s n TYR 109 N -1.27 3.15 -1.36 4.78 4.01 -0.24 -4.85 117.16 121.38 1x3s n TYR 109 Ca 0.08 -3.40 -0.16 0.00 -0.16 0.00 0.00 57.90 54.27 1x3s n TYR 109 Cb 0.33 -0.86 0.18 0.00 -0.31 0.00 0.00 39.34 38.68 1x3s n TYR 109 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1x3s h THR 111 N 1.03 0.92 -2.38 0.00 2.02 -1.94 -3.40 112.91 109.15 1x3s h THR 111 Ca 0.45 -0.23 -0.57 0.00 0.77 0.00 0.00 66.41 66.83 1x3s h THR 111 Cb 2.21 0.20 -0.10 0.00 -1.74 0.00 0.00 68.15 68.72 1x3s h THR 111 CO 0.81 0.12 -0.65 0.00 0.37 0.00 0.00 175.52 176.17 1x3s s ARG 112 N -6.08 2.30 -0.08 6.66 3.03 -1.26 -5.02 118.95 118.50 1x3s s ARG 112 Ca -0.13 -1.35 0.12 0.00 2.03 0.00 0.00 55.73 56.40 1x3s s ARG 112 Cb 0.17 -2.20 0.27 0.00 -1.03 0.00 0.00 34.95 32.16 1x3s s ARG 112 CO 0.76 0.39 1.20 0.27 -1.13 0.00 0.00 175.30 176.78 1x3s n ASN 113 N -0.69 2.74 -0.28 -2.89 0.23 -1.26 -4.64 115.26 108.46 1x3s n ASN 113 Ca -0.07 -2.55 0.05 0.00 -0.53 0.00 0.00 54.58 51.48 1x3s n ASN 113 Cb 0.58 -0.30 0.10 0.00 -2.08 0.00 0.00 39.78 38.09 1x3s n ASN 113 CO 0.00 0.00 0.00 -0.90 -0.93 0.00 0.00 177.26 175.43 1x3s n ASP 114 N -0.55 2.55 -4.73 0.53 5.75 -1.26 -5.01 116.55 113.83 1x3s n ASP 114 Ca 0.12 -2.40 -0.42 0.00 -0.01 0.00 0.00 54.79 52.08 1x3s n ASP 114 Cb 0.55 -0.23 -0.00 0.00 -1.03 0.00 0.00 41.12 40.41 1x3s n ASP 114 CO 0.00 0.00 0.00 -0.38 -0.11 0.00 0.00 177.20 176.71 1x3s n ILE 115 N -0.50 2.13 -3.36 2.12 5.41 -1.26 -4.94 119.36 118.96 1x3s n ILE 115 Ca 0.09 -0.50 -0.39 0.00 1.00 0.00 0.00 62.75 62.96 1x3s n ILE 115 Cb 0.47 -1.72 -0.08 0.00 -0.71 0.00 0.00 39.64 37.60 1x3s n ILE 115 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 1x3s s VAL 116 N -1.12 5.17 0.19 1.39 1.01 -0.75 -4.99 120.40 121.30 1x3s s VAL 116 Ca 0.56 0.69 0.03 0.00 0.00 0.00 0.00 61.98 63.25 1x3s s VAL 116 Cb -0.52 -3.73 0.03 0.00 0.00 0.00 0.00 36.38 32.15 1x3s s VAL 116 CO 0.62 0.19 0.21 0.59 0.00 0.00 0.00 175.10 176.71 1x3s n ASN 117 N 4.95 1.14 -3.66 3.32 5.03 -1.26 -1.04 115.26 123.74 1x3s n ASN 117 Ca -0.08 -1.59 -0.09 0.00 0.87 0.00 0.00 54.58 53.70 1x3s n ASN 117 Cb 0.51 -0.08 -0.08 0.00 -1.02 0.00 0.00 39.78 39.10 1x3s n ASN 117 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.26 175.21 1x3s s LEU 119 N 0.00 -0.61 -0.11 3.41 2.96 0.30 -1.24 118.68 123.39 1x3s s LEU 119 Ca 0.16 1.30 0.01 0.00 -0.22 0.00 0.00 54.13 55.38 1x3s s LEU 119 Cb -0.01 2.06 0.02 0.00 0.50 0.00 0.00 46.19 48.76 1x3s s LEU 119 CO 0.10 -0.22 -0.12 -0.69 -1.32 0.00 0.00 176.35 174.10 1x3s s VAL 120 N 1.33 1.31 -0.45 1.68 1.01 0.00 -1.49 120.40 123.80 1x3s s VAL 120 Ca -0.08 -0.51 -0.19 0.00 0.00 0.00 0.00 61.98 61.20 1x3s s VAL 120 Cb -0.06 -1.23 0.03 0.00 0.00 0.00 0.00 36.38 35.12 1x3s s VAL 120 CO -0.14 0.41 0.57 -0.83 0.00 0.00 0.00 175.10 175.10 1x3s s GLY 121 N 1.21 1.79 0.38 4.51 0.00 -0.60 -1.23 107.32 113.38 1x3s s GLY 121 Ca -0.03 -1.42 0.06 0.00 0.00 0.00 0.00 44.72 43.32 1x3s s GLY 121 CO -0.04 1.39 0.54 0.21 0.00 0.00 0.00 173.10 175.20 1x3s s ASN 122 N 2.07 5.84 -0.41 1.64 3.04 0.24 -0.61 114.94 126.76 1x3s s ASN 122 Ca 0.17 -0.17 -0.00 0.00 0.04 0.00 0.00 52.86 52.90 1x3s s ASN 122 Cb -0.16 -1.12 0.00 0.00 -1.54 0.00 0.00 41.25 38.42 1x3s s ASN 122 CO 0.16 -0.58 0.06 0.29 -3.04 0.00 0.00 177.10 173.99 1x3s n LYS 123 N -1.78 -0.72 0.04 0.43 5.02 -0.67 -1.20 118.16 119.27 1x3s n LYS 123 Ca 0.02 0.23 0.07 0.00 -2.02 0.00 0.00 58.31 56.62 1x3s n LYS 123 Cb 0.58 -3.87 0.32 0.00 -0.02 0.00 0.00 35.03 32.04 1x3s n LYS 123 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 1x3s n ILE 124 N -3.82 1.12 0.28 -0.18 -5.35 -0.95 -1.84 119.36 108.62 1x3s n ILE 124 Ca -0.05 0.31 0.15 0.00 -0.27 0.00 0.00 62.75 62.89 1x3s n ILE 124 Cb 0.54 -1.15 0.46 0.00 -1.74 0.00 0.00 39.64 37.75 1x3s n ILE 124 CO 0.00 0.00 0.00 -2.24 -1.76 0.00 0.00 176.55 172.55 1x3s h ASP 125 N 0.00 0.00 -4.00 7.28 2.03 -1.92 -3.47 116.42 116.35 1x3s h ASP 125 Ca 0.00 0.00 -0.48 0.00 -0.73 0.00 0.00 57.03 55.82 1x3s h ASP 125 Cb 0.22 0.00 0.01 0.00 -0.83 0.00 0.00 39.33 38.73 1x3s h ASP 125 CO 0.00 0.00 0.27 -0.54 -1.03 0.00 0.00 179.24 177.94 1x3s s LYS 126 N -3.44 3.92 0.79 4.15 1.02 -0.77 -5.07 119.74 120.34 1x3s s LYS 126 Ca 0.04 0.79 -0.12 0.00 0.02 0.00 0.00 55.97 56.71 1x3s s LYS 126 Cb 0.08 -2.24 0.06 0.00 -0.52 0.00 0.00 37.83 35.21 1x3s s LYS 126 CO 0.59 -0.15 1.11 -1.21 -0.92 0.00 0.00 175.35 174.76 1x3s s GLU 127 N -3.86 2.19 -0.94 1.68 2.02 -1.26 -4.39 118.70 114.13 1x3s s GLU 127 Ca 0.56 0.53 -0.02 0.00 0.02 0.00 0.00 54.97 56.06 1x3s s GLU 127 Cb -0.10 -1.94 0.00 0.00 0.10 0.00 0.00 34.13 32.19 1x3s s GLU 127 CO 0.29 -1.52 0.79 0.09 0.02 0.00 0.00 175.26 174.93 1x3s n ASN 128 N -3.35 -3.10 -4.71 -0.19 3.02 -1.26 -4.93 115.26 100.73 1x3s n ASN 128 Ca 0.07 -0.44 -0.42 0.00 -0.03 0.00 0.00 54.58 53.75 1x3s n ASN 128 Cb 0.57 -3.94 -0.01 0.00 -0.61 0.00 0.00 39.78 35.79 1x3s n ASN 128 CO 0.00 0.00 0.00 -1.14 -2.62 0.00 0.00 177.26 173.50 1x3s n ARG 129 N -3.52 2.23 -0.02 3.52 0.63 -1.26 -4.57 116.66 113.67 1x3s n ARG 129 Ca -0.14 0.78 -0.00 0.00 -0.92 0.00 0.00 57.85 57.57 1x3s n ARG 129 Cb 0.60 -2.39 -0.06 0.00 0.45 0.00 0.00 32.46 31.06 1x3s n ARG 129 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 1x3s n GLU 130 N 0.57 1.69 -4.13 -0.14 1.02 0.10 -4.93 120.64 114.83 1x3s n GLU 130 Ca 0.04 -0.03 -0.34 0.00 -0.02 0.00 0.00 57.16 56.81 1x3s n GLU 130 Cb 0.36 -1.19 -0.15 0.00 -0.02 0.00 0.00 31.44 30.44 1x3s n GLU 130 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1x3s s VAL 131 N -2.34 2.65 0.67 2.62 1.01 -0.24 -4.83 120.40 119.94 1x3s s VAL 131 Ca -0.03 -0.75 -0.11 0.00 0.00 0.00 0.00 61.98 61.09 1x3s s VAL 131 Cb 0.03 -2.15 -0.01 0.00 0.00 0.00 0.00 36.38 34.26 1x3s s VAL 131 CO 0.31 0.49 1.07 1.51 0.00 0.00 0.00 175.10 178.49 1x3s s ASP 132 N 1.26 5.73 0.27 3.32 3.84 -1.26 -4.89 116.67 124.93 1x3s s ASP 132 Ca 0.03 1.25 -0.01 0.00 -0.00 0.00 0.00 52.55 53.82 1x3s s ASP 132 Cb -0.14 -2.14 0.48 0.00 -1.38 0.00 0.00 42.92 39.74 1x3s s ASP 132 CO -0.07 -1.17 1.84 -0.09 -0.00 0.00 0.00 175.17 175.68 1x3s h ARG 133 N -0.54 0.96 -0.15 2.11 2.43 -1.99 -1.80 114.38 115.41 1x3s h ARG 133 Ca -0.45 -0.06 -0.06 0.00 -0.81 0.00 0.00 59.98 58.61 1x3s h ARG 133 Cb 1.23 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 30.55 1x3s h ARG 133 CO 0.63 0.63 -0.17 -0.91 -1.51 0.00 0.00 179.97 178.65 1x3s h ASN 134 N 0.99 0.23 -0.44 -3.80 2.35 -1.99 0.26 115.58 113.18 1x3s h ASN 134 Ca 0.46 -0.05 -0.13 0.00 -0.55 0.00 0.00 56.30 56.03 1x3s h ASN 134 Cb 0.39 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 38.68 1x3s h ASN 134 CO -0.24 0.42 -0.22 -0.08 -1.65 0.00 0.00 177.43 175.65 1x3s h GLU 135 N 0.22 0.92 -0.32 0.81 4.81 -1.71 0.06 114.58 119.38 1x3s h GLU 135 Ca 0.04 -0.41 -0.02 0.00 -0.13 0.00 0.00 59.36 58.84 1x3s h GLU 135 Cb 0.43 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.78 1x3s h GLU 135 CO 0.03 1.07 0.11 0.78 -0.73 0.00 0.00 179.01 180.26 1x3s h GLY 136 N 0.76 0.53 0.85 1.92 0.00 -1.16 -2.56 103.07 103.41 1x3s h GLY 136 Ca 0.10 -0.31 0.04 0.00 0.00 0.00 0.00 47.33 47.15 1x3s h GLY 136 CO 0.07 0.29 0.50 -2.00 0.00 0.00 0.00 176.54 175.40 1x3s h LEU 137 N 0.36 0.82 -0.82 3.11 5.85 -0.84 -1.04 115.31 122.76 1x3s h LEU 137 Ca 0.10 -0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.82 1x3s h LEU 137 Cb 0.23 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 41.05 1x3s h LEU 137 CO -0.00 0.56 0.51 0.11 -0.34 0.00 0.00 178.44 179.27 1x3s h LYS 138 N 0.97 1.11 -0.35 1.25 1.57 -0.86 0.33 116.57 120.59 1x3s h LYS 138 Ca 0.32 -0.09 -0.04 0.00 -1.87 0.00 0.00 60.65 58.96 1x3s h LYS 138 Cb 0.03 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.09 1x3s h LYS 138 CO -0.12 0.77 0.05 0.35 -0.57 0.00 0.00 179.45 179.93 1x3s h PHE 139 N 1.13 0.63 -0.33 -1.35 3.57 -1.03 -0.65 116.94 118.91 1x3s h PHE 139 Ca 0.30 -0.09 0.02 0.00 3.53 0.00 0.00 57.97 61.72 1x3s h PHE 139 Cb -0.06 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 38.48 1x3s h PHE 139 CO -0.01 0.65 0.18 0.00 -2.23 0.00 0.00 178.31 176.90 1x3s h ALA 140 N 0.90 0.40 -0.36 2.41 0.00 -0.81 -2.37 119.26 119.44 1x3s h ALA 140 Ca 0.11 0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.87 1x3s h ALA 140 Cb 0.37 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1x3s h ALA 140 CO 0.01 -0.19 -0.36 0.00 0.00 0.00 0.00 179.25 178.71 1x3s h ARG 141 N 0.36 0.83 -0.35 0.00 2.47 -0.83 -1.04 114.38 115.83 1x3s h ARG 141 Ca 0.13 -0.41 0.05 0.00 -1.26 0.00 0.00 59.98 58.49 1x3s h ARG 141 Cb 0.03 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.33 1x3s h ARG 141 CO -0.08 1.05 0.24 -0.22 0.56 0.00 0.00 179.97 181.52 1x3s h LYS 142 N 0.69 0.24 -0.60 0.04 3.64 -0.90 -1.63 116.57 118.05 1x3s h LYS 142 Ca 0.06 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 1x3s h LYS 142 Cb 0.92 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.68 1x3s h LYS 142 CO 0.08 0.16 0.00 0.72 -2.27 0.00 0.00 179.45 178.14 1x3s n HIS 143 N -4.48 1.34 -2.90 1.91 8.25 -0.79 -5.11 115.22 113.45 1x3s n HIS 143 Ca 0.04 -0.61 -0.06 0.00 -0.26 0.00 0.00 57.72 56.83 1x3s n HIS 143 Cb 0.25 -0.22 0.01 0.00 1.12 0.00 0.00 29.99 31.15 1x3s n HIS 143 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1x3s n SER 144 N 1.00 -7.60 -4.79 0.41 7.64 -0.46 -5.04 113.62 104.77 1x3s n SER 144 Ca 0.24 0.88 -0.22 0.00 1.01 0.00 0.00 58.87 60.78 1x3s n SER 144 Cb 0.84 -4.53 -0.05 0.00 -1.01 0.00 0.00 64.21 59.46 1x3s n SER 144 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1x3s s LEU 146 N -1.93 3.55 -0.10 -3.43 1.43 -0.37 -4.80 118.68 113.03 1x3s s LEU 146 Ca 0.11 -0.49 -0.07 0.00 -1.03 0.00 0.00 54.13 52.66 1x3s s LEU 146 Cb -0.03 -2.10 0.04 0.00 0.03 0.00 0.00 46.19 44.13 1x3s s LEU 146 CO 0.69 -0.19 0.25 0.12 0.23 0.00 0.00 176.35 177.45 1x3s s PHE 147 N -2.27 -0.31 -0.03 0.29 5.36 -1.26 -0.54 117.98 119.22 1x3s s PHE 147 Ca 0.36 0.75 -0.06 0.00 -0.96 0.00 0.00 56.93 57.02 1x3s s PHE 147 Cb -0.06 0.08 0.01 0.00 -0.34 0.00 0.00 43.02 42.71 1x3s s PHE 147 CO 0.24 -0.18 0.15 0.42 -1.46 0.00 0.00 175.22 174.38 1x3s s ILE 148 N 0.68 0.04 -0.09 3.12 -1.09 -0.55 -4.97 121.20 118.33 1x3s s ILE 148 Ca -0.04 -0.33 -0.06 0.00 -2.23 0.00 0.00 60.65 57.99 1x3s s ILE 148 Cb -0.06 -0.32 -0.04 0.00 -1.58 0.00 0.00 42.46 40.46 1x3s s ILE 148 CO -0.04 -0.18 0.15 -1.61 -1.23 0.00 0.00 174.94 172.03 1x3s s GLU 149 N -0.60 3.45 0.16 2.79 2.02 -1.26 -1.55 118.70 123.71 1x3s s GLU 149 Ca -0.07 -0.16 -0.05 0.00 0.02 0.00 0.00 54.97 54.71 1x3s s GLU 149 Cb -0.04 -3.17 -0.02 0.00 0.10 0.00 0.00 34.13 30.99 1x3s s GLU 149 CO 0.01 0.75 0.19 0.00 0.02 0.00 0.00 175.26 176.23 1x3s s ALA 150 N -1.10 0.47 -0.12 5.21 0.00 0.22 -4.28 121.76 122.16 1x3s s ALA 150 Ca 0.18 -1.22 -0.02 0.00 0.00 0.00 0.00 51.96 50.89 1x3s s ALA 150 Cb -0.12 0.95 0.04 0.00 0.00 0.00 0.00 23.12 24.00 1x3s s ALA 150 CO 0.07 -0.59 0.03 0.45 0.00 0.00 0.00 175.76 175.72 1x3s s SER 151 N -3.03 2.07 0.43 0.00 0.15 -0.09 -1.68 113.70 111.55 1x3s s SER 151 Ca 0.23 -0.38 0.16 0.00 0.70 0.00 0.00 55.95 56.66 1x3s s SER 151 Cb 0.05 -0.42 0.96 0.00 -1.71 0.00 0.00 66.02 64.90 1x3s s SER 151 CO 0.03 -0.26 1.93 0.00 1.20 0.00 0.00 173.24 176.14 1x3s h ALA 152 N 8.33 1.47 -0.18 5.45 0.00 -1.90 0.90 119.26 133.33 1x3s h ALA 152 Ca -0.17 -0.23 -0.15 0.00 0.00 0.00 0.00 54.91 54.36 1x3s h ALA 152 Cb 1.13 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1x3s h ALA 152 CO 0.28 0.32 -0.47 -0.22 0.00 0.00 0.00 179.25 179.15 1x3s h LYS 153 N 0.00 0.64 -0.34 0.00 3.64 -1.94 -3.31 116.57 115.26 1x3s h LYS 153 Ca -0.00 -0.45 0.00 0.00 -1.27 0.00 0.00 60.65 58.93 1x3s h LYS 153 Cb 0.48 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.37 1x3s h LYS 153 CO 0.03 1.06 0.00 0.25 -2.27 0.00 0.00 179.45 178.53 1x3s n THR 154 N -4.19 1.39 0.00 1.00 -2.24 -1.19 -4.95 114.28 104.10 1x3s n THR 154 Ca -0.06 -1.25 0.00 0.00 -2.27 0.00 0.00 64.05 60.47 1x3s n THR 154 Cb 0.58 0.28 0.00 0.00 -2.10 0.00 0.00 70.33 69.08 1x3s n THR 154 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1x3s n ASP 156 N 0.00 1.11 0.00 0.00 10.43 -1.15 -2.18 116.55 124.77 1x3s n ASP 156 Ca 0.00 1.13 0.00 0.00 2.57 0.00 0.00 54.79 58.49 1x3s n ASP 156 Cb 0.00 -1.06 0.00 0.00 1.84 0.00 0.00 41.12 41.90 1x3s n ASP 156 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1x3s n GLY 157 N 2.52 2.00 0.15 0.44 0.00 -1.26 -0.92 105.19 108.14 1x3s n GLY 157 Ca 0.21 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.10 1x3s n GLY 157 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1x3s h VAL 158 N 0.00 0.84 -0.95 1.61 2.07 -1.74 -0.60 116.25 117.49 1x3s h VAL 158 Ca 0.00 -0.41 -0.00 0.00 0.82 0.00 0.00 66.70 67.10 1x3s h VAL 158 Cb 0.00 1.09 -0.05 0.00 -1.52 0.00 0.00 31.29 30.81 1x3s h VAL 158 CO 0.00 0.09 0.58 -0.61 0.02 0.00 0.00 177.57 177.65 1x3s h GLN 159 N -0.51 1.29 -0.22 1.57 5.75 -1.90 -2.12 115.11 118.98 1x3s h GLN 159 Ca -0.03 -0.12 -0.08 0.00 -0.15 0.00 0.00 58.65 58.28 1x3s h GLN 159 Cb 0.38 -0.27 -0.01 0.00 1.07 0.00 0.00 27.48 28.64 1x3s h GLN 159 CO 0.05 0.90 -0.19 0.00 -2.65 0.00 0.00 178.83 176.94 1x3s h ALA 161 N 1.45 0.60 0.04 0.00 0.00 -0.42 0.16 119.26 121.09 1x3s h ALA 161 Ca 0.06 -0.01 -0.22 0.00 0.00 0.00 0.00 54.91 54.75 1x3s h ALA 161 Cb 0.54 -0.13 0.02 0.00 0.00 0.00 0.00 17.79 18.22 1x3s h ALA 161 CO 0.04 -0.03 -0.87 0.74 0.00 0.00 0.00 179.25 179.13 1x3s h PHE 162 N 0.56 0.80 -0.40 0.00 -1.00 -1.27 -3.07 116.94 112.55 1x3s h PHE 162 Ca 0.19 -0.46 -0.05 0.00 2.81 0.00 0.00 57.97 60.45 1x3s h PHE 162 Cb 0.01 -0.08 -0.02 0.00 3.61 0.00 0.00 35.95 39.48 1x3s h PHE 162 CO -0.07 1.30 0.06 0.93 -1.61 0.00 0.00 178.31 178.92 1x3s h GLU 163 N 0.07 0.67 -0.38 1.51 5.08 -0.80 -1.85 114.58 118.88 1x3s h GLU 163 Ca -0.12 -0.19 -0.06 0.00 -1.00 0.00 0.00 59.36 57.99 1x3s h GLU 163 Cb 1.57 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 30.73 1x3s h GLU 163 CO 0.17 0.72 -0.03 0.93 -1.00 0.00 0.00 179.01 179.81 1x3s h GLU 164 N 0.52 0.62 0.01 2.33 5.08 -0.81 0.59 114.58 122.91 1x3s h GLU 164 Ca 0.12 -0.15 -0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1x3s h GLU 164 Cb 0.39 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.56 1x3s h GLU 164 CO 0.01 0.66 -0.00 1.25 -1.00 0.00 0.00 179.01 179.93 1x3s h LEU 165 N 0.58 -0.01 -0.87 1.33 5.85 -1.41 -2.55 115.31 118.23 1x3s h LEU 165 Ca 0.12 -0.20 -0.05 0.00 0.84 0.00 0.00 57.88 58.59 1x3s h LEU 165 Cb 0.41 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.41 1x3s h LEU 165 CO 0.02 0.19 0.23 0.58 -0.34 0.00 0.00 178.44 179.12 1x3s h VAL 166 N -0.21 1.25 -0.33 1.05 2.07 -1.04 -0.90 116.25 118.14 1x3s h VAL 166 Ca -0.00 -0.85 0.04 0.00 0.82 0.00 0.00 66.70 66.71 1x3s h VAL 166 Cb 0.20 0.47 -0.04 0.00 -1.52 0.00 0.00 31.29 30.41 1x3s h VAL 166 CO 0.00 0.33 0.10 -0.33 0.02 0.00 0.00 177.57 177.70 1x3s h GLU 167 N 1.02 0.23 -0.49 1.57 5.08 -0.83 -0.91 114.58 120.26 1x3s h GLU 167 Ca 0.23 -0.01 -0.11 0.00 -1.00 0.00 0.00 59.36 58.46 1x3s h GLU 167 Cb 0.27 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 1x3s h GLU 167 CO -0.01 0.15 -0.14 -0.22 -1.00 0.00 0.00 179.01 177.79 1x3s h LYS 168 N 0.24 0.94 -0.61 2.33 3.64 -1.13 -2.34 116.57 119.64 1x3s h LYS 168 Ca 0.15 -0.35 -0.02 0.00 -1.27 0.00 0.00 60.65 59.16 1x3s h LYS 168 Cb 0.13 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 31.87 1x3s h LYS 168 CO -0.16 1.01 0.31 0.82 -2.27 0.00 0.00 179.45 179.16 1x3s h ILE 169 N 0.83 1.21 -0.13 2.00 2.04 -0.66 -2.13 117.51 120.67 1x3s h ILE 169 Ca 0.13 -0.56 -0.05 0.00 1.00 0.00 0.00 64.86 65.37 1x3s h ILE 169 Cb 0.69 0.46 -0.01 0.00 -0.74 0.00 0.00 36.82 37.21 1x3s h ILE 169 CO 0.05 0.23 -0.14 0.40 0.00 0.00 0.00 178.15 178.69 1x3s h ILE 170 N 0.83 1.18 -0.01 -0.67 1.08 -0.96 -1.20 117.51 117.76 1x3s h ILE 170 Ca 0.21 -0.78 0.00 0.00 -0.39 0.00 0.00 64.86 63.90 1x3s h ILE 170 Cb 0.09 1.24 0.00 0.00 -3.07 0.00 0.00 36.82 35.08 1x3s h ILE 170 CO -0.03 0.24 0.00 0.00 -0.69 0.00 0.00 178.15 177.67 1x3s n GLN 171 N -4.27 1.02 -3.42 2.37 6.02 -0.83 -3.74 117.38 114.52 1x3s n GLN 171 Ca -0.01 -0.03 -0.27 0.00 -0.01 0.00 0.00 57.00 56.69 1x3s n GLN 171 Cb 0.27 -1.12 -0.08 0.00 1.02 0.00 0.00 30.24 30.33 1x3s n GLN 171 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 1x3s n THR 172 N -0.59 2.17 -0.33 5.09 -1.04 -0.45 -5.01 114.28 114.11 1x3s n THR 172 Ca 0.06 -5.15 0.02 0.00 -2.04 0.00 0.00 64.05 56.94 1x3s n THR 172 Cb 0.03 -2.09 0.08 0.00 -1.82 0.00 0.00 70.33 66.53 1x3s n THR 172 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 1x3s n PRO 173 N 0.91 -0.14 0.21 -2.82 -0.02 -1.25 -0.81 135.00 131.09 1x3s n PRO 173 Ca 0.29 1.38 0.14 0.00 -2.02 0.00 0.00 63.50 63.30 1x3s n PRO 173 Cb 0.41 -2.06 0.75 0.00 -0.02 0.00 0.00 33.50 32.59 1x3s n PRO 173 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 1x3s h GLY 174 N 0.00 0.00 2.00 -1.23 0.00 -1.94 -1.83 103.07 100.08 1x3s h GLY 174 Ca 0.37 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.60 1x3s h GLY 174 CO -0.90 0.00 -0.50 -2.00 0.00 0.00 0.00 176.54 173.13 1x3s h LEU 175 N 0.00 0.00 0.00 3.11 5.85 -1.29 -3.38 115.31 119.60 1x3s h LEU 175 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1x3s h LEU 175 Cb 0.01 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.04 1x3s h LEU 175 CO 0.00 0.50 -0.08 -2.67 -0.34 0.00 0.00 178.44 175.85 1x3s n TRP 176 N -3.59 0.00 -1.67 1.25 4.27 -0.88 -4.97 117.44 111.85 1x3s n TRP 176 Ca -0.00 0.00 -0.45 0.00 -3.89 0.00 0.00 57.50 53.15 1x3s n TRP 176 Cb 0.59 0.00 -0.03 0.00 -1.36 0.00 0.00 31.31 30.50 1x3s n TRP 176 CO 0.00 0.00 0.00 0.39 -2.29 0.00 0.00 177.69 175.79 1x3s n GLU 177 N -0.68 2.11 0.00 -2.67 -0.58 -0.74 -4.94 120.64 113.14 1x3s n GLU 177 Ca 0.00 0.76 0.11 0.00 -0.42 0.00 0.00 57.16 57.61 1x3s n GLU 177 Cb 0.00 -2.48 0.09 0.00 -0.57 0.00 0.00 31.44 28.48 1x3s n GLU 177 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52