#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2sns n THR 2 N 0.00 0.00 0.00 0.00 -2.24 -1.26 -1.99 114.28 108.79 2sns n THR 2 Ca 0.00 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.69 2sns n THR 2 Cb 0.00 0.00 -0.14 0.00 -2.10 0.00 0.00 70.33 68.09 2sns n THR 2 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2sns h SER 3 N 0.00 0.02 0.00 3.42 0.02 -2.06 -3.41 113.55 111.54 2sns h SER 3 Ca 0.00 -0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.91 2sns h SER 3 Cb 0.00 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.53 2sns h SER 3 CO 0.00 1.04 0.00 1.07 -1.14 0.00 0.00 176.83 177.80 2sns n THR 4 N -3.14 0.00 0.00 -2.27 5.66 -0.84 -4.58 114.28 109.11 2sns n THR 4 Ca -0.13 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.87 2sns n THR 4 Cb 1.02 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.80 2sns n THR 4 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 175.07 173.19 2sns n LYS 5 N -0.06 0.00 0.00 1.09 3.00 -1.25 -4.95 118.16 115.98 2sns n LYS 5 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 2sns n LYS 5 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 2sns n LYS 5 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 2sns n LYS 6 N 0.00 0.00 -2.83 1.64 3.00 -1.26 -4.93 118.16 113.78 2sns n LYS 6 Ca 0.00 0.00 -0.38 0.00 -0.00 0.00 0.00 58.31 57.93 2sns n LYS 6 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 35.03 34.97 2sns n LYS 6 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 2sns s LEU 7 N 0.00 4.43 0.09 3.14 1.43 -1.26 -4.98 118.68 121.52 2sns s LEU 7 Ca 0.00 1.79 0.01 0.00 -1.03 0.00 0.00 54.13 54.90 2sns s LEU 7 Cb 0.00 -3.81 -0.04 0.00 0.03 0.00 0.00 46.19 42.37 2sns s LEU 7 CO 0.00 0.02 0.22 -2.28 0.23 0.00 0.00 176.35 174.54 2sns s HIS 8 N -1.47 3.48 -0.27 0.29 5.65 -1.26 -5.05 115.29 116.66 2sns s HIS 8 Ca 0.46 0.20 -0.02 0.00 0.25 0.00 0.00 55.06 55.95 2sns s HIS 8 Cb -0.20 -1.72 0.04 0.00 -1.18 0.00 0.00 32.58 29.51 2sns s HIS 8 CO 0.25 0.56 -0.03 0.15 -0.65 0.00 0.00 174.74 175.02 2sns s LYS 9 N -2.71 2.65 -0.15 2.88 1.02 -1.26 -3.93 119.74 118.25 2sns s LYS 9 Ca 0.34 -1.11 -0.07 0.00 0.02 0.00 0.00 55.97 55.15 2sns s LYS 9 Cb -0.12 -3.07 -0.04 0.00 -0.52 0.00 0.00 37.83 34.07 2sns s LYS 9 CO 0.28 -0.50 0.11 -1.21 -0.92 0.00 0.00 175.35 173.11 2sns s GLU 10 N 1.29 3.66 0.40 1.68 2.02 -0.24 -4.82 118.70 122.69 2sns s GLU 10 Ca -0.02 -0.21 -0.06 0.00 0.02 0.00 0.00 54.97 54.70 2sns s GLU 10 Cb -0.18 -3.21 0.09 0.00 0.10 0.00 0.00 34.13 30.93 2sns s GLU 10 CO -0.03 0.58 0.20 -0.35 0.02 0.00 0.00 175.26 175.67 2sns n PRO 11 N 2.62 -1.25 0.00 0.39 -0.04 -1.26 0.23 135.00 135.68 2sns n PRO 11 Ca -0.18 -0.33 0.00 0.00 -0.04 0.00 0.00 63.50 62.95 2sns n PRO 11 Cb 0.54 -0.55 0.00 0.00 -0.04 0.00 0.00 33.50 33.44 2sns n PRO 11 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2sns n ALA 12 N -2.96 0.00 -2.96 0.55 0.00 -0.51 -4.44 120.51 110.20 2sns n ALA 12 Ca -0.04 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.07 2sns n ALA 12 Cb 0.14 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.44 2sns n ALA 12 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2sns s THR 13 N -2.00 2.76 0.09 0.00 2.01 -1.26 -3.98 115.64 113.26 2sns s THR 13 Ca 0.00 -0.79 -0.30 0.00 0.31 0.00 0.00 61.69 60.91 2sns s THR 13 Cb 0.00 -2.11 -0.06 0.00 0.01 0.00 0.00 72.50 70.34 2sns s THR 13 CO 0.00 0.55 1.21 -0.22 -0.69 0.00 0.00 174.62 175.46 2sns s LEU 14 N 0.10 4.39 -0.00 4.42 1.98 -1.26 -0.94 118.68 127.36 2sns s LEU 14 Ca -0.08 2.08 -0.00 0.00 -2.89 0.00 0.00 54.13 53.24 2sns s LEU 14 Cb -0.15 -3.59 -0.00 0.00 0.66 0.00 0.00 46.19 43.11 2sns s LEU 14 CO 0.05 -0.45 -0.01 -0.38 -1.89 0.00 0.00 176.35 173.67 2sns n ILE 15 N 3.60 0.06 -3.71 6.68 5.41 -0.17 -4.94 119.36 126.29 2sns n ILE 15 Ca 0.08 0.30 -0.11 0.00 1.00 0.00 0.00 62.75 64.02 2sns n ILE 15 Cb 0.46 -1.33 -0.11 0.00 -0.71 0.00 0.00 39.64 37.94 2sns n ILE 15 CO 0.00 0.00 0.00 -0.75 0.00 0.00 0.00 176.55 175.80 2sns s LYS 16 N -1.06 0.34 -0.15 0.38 2.20 -1.17 -5.00 119.74 115.27 2sns s LYS 16 Ca -0.01 0.69 -0.15 0.00 -0.36 0.00 0.00 55.97 56.14 2sns s LYS 16 Cb 0.00 -0.03 -0.05 0.00 -1.51 0.00 0.00 37.83 36.24 2sns s LYS 16 CO 0.01 -0.15 0.33 0.00 -0.36 0.00 0.00 175.35 175.18 2sns s ALA 17 N 1.24 3.57 -0.09 3.13 0.00 -1.26 -0.84 121.76 127.52 2sns s ALA 17 Ca -0.09 -0.40 -0.02 0.00 0.00 0.00 0.00 51.96 51.45 2sns s ALA 17 Cb -0.08 -2.44 -0.01 0.00 0.00 0.00 0.00 23.12 20.59 2sns s ALA 17 CO -0.10 0.08 -0.04 0.82 0.00 0.00 0.00 175.76 176.52 2sns h ILE 18 N 4.67 0.00 -0.57 0.00 1.08 -1.47 -3.49 117.51 117.74 2sns h ILE 18 Ca -0.41 -0.79 0.00 0.00 -0.39 0.00 0.00 64.86 63.27 2sns h ILE 18 Cb 1.17 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.92 2sns h ILE 18 CO 0.75 0.00 0.00 -0.90 -0.69 0.00 0.00 178.15 177.31 2sns n ASP 19 N -4.18 0.00 0.45 1.72 3.85 -1.15 -5.01 116.55 112.23 2sns n ASP 19 Ca -0.02 0.00 -0.19 0.00 -0.71 0.00 0.00 54.79 53.87 2sns n ASP 19 Cb 0.06 0.00 -0.09 0.00 -1.35 0.00 0.00 41.12 39.74 2sns n ASP 19 CO 0.00 0.00 0.00 1.23 -1.01 0.00 0.00 177.20 177.42 2sns h GLY 20 N 0.00 -1.32 2.00 6.12 0.00 -1.79 -3.31 103.07 104.76 2sns h GLY 20 Ca 0.00 0.52 0.00 0.00 0.00 0.00 0.00 47.33 47.85 2sns h GLY 20 CO 0.00 -0.46 0.00 2.09 0.00 0.00 0.00 176.54 178.17 2sns n ASP 21 N -5.45 0.02 -3.89 0.19 3.85 -1.26 -4.75 116.55 105.25 2sns n ASP 21 Ca -0.15 0.50 -0.21 0.00 -0.71 0.00 0.00 54.79 54.23 2sns n ASP 21 Cb 0.49 -0.51 -0.16 0.00 -1.35 0.00 0.00 41.12 39.59 2sns n ASP 21 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.20 175.30 2sns s THR 22 N -3.00 0.58 0.09 2.12 2.01 -1.25 -1.85 115.64 114.34 2sns s THR 22 Ca 0.14 -0.13 -0.08 0.00 0.31 0.00 0.00 61.69 61.93 2sns s THR 22 Cb 0.19 -0.61 -0.00 0.00 0.01 0.00 0.00 72.50 72.08 2sns s THR 22 CO 0.53 0.24 0.18 0.68 -0.69 0.00 0.00 174.62 175.56 2sns s VAL 23 N 1.02 0.14 -0.25 3.82 -7.23 -1.09 -1.03 120.40 115.77 2sns s VAL 23 Ca -0.09 -1.23 -0.14 0.00 -1.81 0.00 0.00 61.98 58.71 2sns s VAL 23 Cb -0.14 -1.38 -0.04 0.00 0.56 0.00 0.00 36.38 35.38 2sns s VAL 23 CO -0.00 -0.65 0.33 -0.54 -0.31 0.00 0.00 175.10 173.93 2sns s LYS 24 N -3.87 4.05 0.20 4.82 1.02 -0.02 0.69 119.74 126.63 2sns s LYS 24 Ca 0.06 -0.00 0.10 0.00 0.02 0.00 0.00 55.97 56.15 2sns s LYS 24 Cb 0.05 -3.62 -0.04 0.00 -0.52 0.00 0.00 37.83 33.70 2sns s LYS 24 CO -0.10 -0.18 -0.21 -0.51 -0.92 0.00 0.00 175.35 173.43 2sns s LEU 25 N 1.77 2.47 -0.99 3.17 1.43 0.28 -1.00 118.68 125.81 2sns s LEU 25 Ca 0.14 -0.90 -0.02 0.00 -1.03 0.00 0.00 54.13 52.32 2sns s LEU 25 Cb -0.15 -1.00 0.31 0.00 0.03 0.00 0.00 46.19 45.37 2sns s LEU 25 CO 0.09 0.03 1.94 0.80 0.23 0.00 0.00 176.35 179.44 2sns n MET 26 N 0.08 4.67 -1.91 1.70 0.00 -0.12 -1.86 117.12 119.68 2sns n MET 26 Ca -0.11 -4.25 -0.40 0.00 -0.00 0.00 0.00 57.70 52.94 2sns n MET 26 Cb 0.57 -2.43 -0.03 0.00 0.00 0.00 0.00 33.22 31.34 2sns n MET 26 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 175.97 175.50 2sns s TYR 27 N -3.98 1.57 -0.35 1.12 5.04 -1.25 -3.51 117.35 115.98 2sns s TYR 27 Ca 0.44 0.86 -0.13 0.00 -2.44 0.00 0.00 57.07 55.80 2sns s TYR 27 Cb 0.25 -4.00 0.02 0.00 0.35 0.00 0.00 41.96 38.58 2sns s TYR 27 CO -0.20 -2.67 0.48 1.17 -1.34 0.00 0.00 175.55 172.98 2sns n LYS 28 N 8.87 -2.04 -0.19 4.97 4.81 -1.26 -4.63 118.16 128.69 2sns n LYS 28 Ca 0.25 1.89 0.00 0.00 -0.87 0.00 0.00 58.31 59.58 2sns n LYS 28 Cb 0.50 -4.98 0.00 0.00 0.02 0.00 0.00 35.03 30.57 2sns n LYS 28 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2sns n GLY 29 N -0.29 0.00 0.00 3.14 0.00 -1.23 -4.92 105.19 101.89 2sns n GLY 29 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 2sns n GLY 29 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2sns n GLN 30 N 0.49 0.00 -2.07 1.61 1.13 -1.26 -5.10 117.38 112.18 2sns n GLN 30 Ca 0.00 0.00 -0.38 0.00 -1.94 0.00 0.00 57.00 54.68 2sns n GLN 30 Cb 0.00 0.00 0.01 0.00 0.11 0.00 0.00 30.24 30.36 2sns n GLN 30 CO 0.00 0.00 0.00 -1.25 -1.44 0.00 0.00 177.06 174.37 2sns s PRO 31 N -4.69 3.65 -0.17 -1.09 0.04 -1.26 -3.90 135.00 127.58 2sns s PRO 31 Ca 0.00 2.01 -0.29 0.00 0.04 0.00 0.00 61.00 62.76 2sns s PRO 31 Cb 0.00 -2.47 0.11 0.00 0.04 0.00 0.00 34.50 32.18 2sns s PRO 31 CO 0.00 -0.71 0.89 1.41 0.04 0.00 0.00 177.00 178.64 2sns s MET 32 N -2.62 0.72 -0.08 4.56 1.75 -0.78 -5.00 119.30 117.85 2sns s MET 32 Ca 0.64 0.38 -0.04 0.00 -1.25 0.00 0.00 55.69 55.41 2sns s MET 32 Cb -0.35 0.34 -0.04 0.00 2.84 0.00 0.00 34.83 37.63 2sns s MET 32 CO 0.42 -0.18 0.12 0.95 -0.65 0.00 0.00 175.02 175.68 2sns s THR 33 N -0.64 5.19 0.03 10.11 -4.23 -1.26 0.10 115.64 124.94 2sns s THR 33 Ca -0.03 -0.02 0.09 0.00 -1.18 0.00 0.00 61.69 60.56 2sns s THR 33 Cb -0.02 -3.29 -0.03 0.00 1.34 0.00 0.00 72.50 70.50 2sns s THR 33 CO 0.02 0.53 -0.25 -0.36 -0.54 0.00 0.00 174.62 174.01 2sns s PHE 34 N -1.08 2.24 -0.12 3.99 0.40 0.22 -2.70 117.98 120.93 2sns s PHE 34 Ca 0.18 -0.41 -0.03 0.00 -0.60 0.00 0.00 56.93 56.06 2sns s PHE 34 Cb -0.12 -1.36 -0.03 0.00 0.51 0.00 0.00 43.02 42.01 2sns s PHE 34 CO 0.08 0.09 0.00 0.50 0.70 0.00 0.00 175.22 176.59 2sns s ARG 35 N -1.10 3.35 -0.54 0.44 6.06 1.21 -2.67 118.95 125.70 2sns s ARG 35 Ca 0.11 -0.42 -0.28 0.00 -2.50 0.00 0.00 55.73 52.64 2sns s ARG 35 Cb -0.10 -2.90 0.01 0.00 0.06 0.00 0.00 34.95 32.01 2sns s ARG 35 CO 0.01 0.51 1.51 -0.51 -2.50 0.00 0.00 175.30 174.32 2sns s LEU 36 N -0.34 3.41 0.26 -0.88 1.43 -0.77 -1.54 118.68 120.25 2sns s LEU 36 Ca 0.07 0.41 -0.30 0.00 -1.03 0.00 0.00 54.13 53.28 2sns s LEU 36 Cb -0.12 -3.05 -0.14 0.00 0.03 0.00 0.00 46.19 42.91 2sns s LEU 36 CO 0.02 -1.78 1.23 0.18 0.23 0.00 0.00 176.35 176.23 2sns n LEU 37 N 10.01 2.52 -3.22 1.79 4.77 -1.06 -3.48 117.00 128.33 2sns n LEU 37 Ca 0.15 1.16 -0.17 0.00 -0.03 0.00 0.00 56.01 57.12 2sns n LEU 37 Cb 0.49 -1.36 0.02 0.00 -2.33 0.00 0.00 43.42 40.24 2sns n LEU 37 CO 0.71 -0.90 -0.33 0.00 -1.33 0.00 0.00 177.39 175.54 2sns n LEU 38 N 1.61 -4.32 0.00 2.23 -0.00 -1.03 -4.86 117.00 110.63 2sns n LEU 38 Ca 0.10 0.32 0.00 0.00 -0.00 0.00 0.00 56.01 56.43 2sns n LEU 38 Cb 0.31 -2.07 0.00 0.00 -0.00 0.00 0.00 43.42 41.66 2sns n LEU 38 CO 0.61 -1.20 0.00 0.52 -0.00 0.00 0.00 177.39 177.32 2sns n VAL 39 N 0.39 0.00 -3.95 1.47 0.31 0.31 -4.55 118.33 112.32 2sns n VAL 39 Ca -0.02 0.00 -0.15 0.00 -0.01 0.00 0.00 64.34 64.16 2sns n VAL 39 Cb 0.51 0.00 -0.15 0.00 -0.91 0.00 0.00 33.84 33.29 2sns n VAL 39 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2sns s ASP 40 N 0.00 0.29 0.06 4.52 2.15 0.10 -4.59 116.67 119.21 2sns s ASP 40 Ca 0.00 -0.03 0.03 0.00 0.43 0.00 0.00 52.55 52.98 2sns s ASP 40 Cb 0.00 -0.10 -0.04 0.00 -0.30 0.00 0.00 42.92 42.48 2sns s ASP 40 CO 0.00 -0.03 0.06 0.42 -0.17 0.00 0.00 175.17 175.45 2sns s THR 41 N 0.45 4.46 -0.25 1.71 -4.23 -1.26 -0.81 115.64 115.70 2sns s THR 41 Ca -0.04 -0.73 -0.41 0.00 -1.18 0.00 0.00 61.69 59.33 2sns s THR 41 Cb -0.07 -3.11 -0.16 0.00 1.34 0.00 0.00 72.50 70.50 2sns s THR 41 CO -0.01 0.18 1.65 -0.81 -0.54 0.00 0.00 174.62 175.09 2sns n PRO 42 N 0.66 0.97 -1.24 3.99 -0.04 -1.26 -4.77 135.00 133.31 2sns n PRO 42 Ca -0.10 0.36 -0.38 0.00 -0.04 0.00 0.00 63.50 63.33 2sns n PRO 42 Cb 0.52 -2.01 0.02 0.00 -0.04 0.00 0.00 33.50 32.00 2sns n PRO 42 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2sns n GLU 43 N 4.69 0.08 0.00 0.54 0.00 -1.26 -4.65 120.64 120.04 2sns n GLU 43 Ca 0.26 0.03 0.00 0.00 0.00 0.00 0.00 57.16 57.45 2sns n GLU 43 Cb 0.11 -1.15 0.00 0.00 0.00 0.00 0.00 31.44 30.40 2sns n GLU 43 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.13 174.76 2sns n THR 44 N -1.73 0.00 -1.98 6.31 5.66 -1.26 -3.32 114.28 117.95 2sns n THR 44 Ca 0.07 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.07 2sns n THR 44 Cb 0.49 -0.24 0.00 0.00 -1.55 0.00 0.00 70.33 69.02 2sns n THR 44 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 2sns n LYS 45 N -1.97 3.69 -1.92 1.09 5.02 -1.26 -4.72 118.16 118.08 2sns n LYS 45 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 2sns n LYS 45 Cb 0.23 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.24 2sns n LYS 45 CO 0.00 0.00 0.00 1.58 -0.52 0.00 0.00 177.40 178.46 2sns n HIS 46 N 0.00 -3.40 -0.17 2.13 -0.00 -1.26 -4.63 115.22 107.90 2sns n HIS 46 Ca 0.00 2.05 -0.03 0.00 0.46 0.00 0.00 57.72 60.20 2sns n HIS 46 Cb 0.00 -2.64 0.19 0.00 -0.12 0.00 0.00 29.99 27.42 2sns n HIS 46 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 2sns h PRO 47 N 4.00 0.91 -3.25 1.57 0.13 -1.96 -3.35 132.00 130.05 2sns h PRO 47 Ca 0.00 -0.15 0.00 0.00 -0.87 0.00 0.00 66.00 64.98 2sns h PRO 47 Cb 0.00 -0.15 0.00 0.00 0.13 0.00 0.00 31.00 30.98 2sns h PRO 47 CO 0.00 0.76 0.00 1.17 -0.23 0.00 0.00 178.00 179.70 2sns n LYS 48 N -4.30 0.00 0.00 0.86 0.00 -1.26 -3.46 118.16 110.00 2sns n LYS 48 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.36 2sns n LYS 48 Cb 0.18 -0.68 0.00 0.00 0.00 0.00 0.00 35.03 34.53 2sns n LYS 48 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 2sns n LYS 49 N 1.83 0.00 -3.26 1.64 4.81 -1.25 -5.14 118.16 116.79 2sns n LYS 49 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 2sns n LYS 49 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 2sns n LYS 49 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2sns n GLY 50 N 0.00 -0.29 3.55 3.14 0.00 -1.22 -5.07 105.19 105.30 2sns n GLY 50 Ca 0.00 -1.27 -0.38 0.00 0.00 0.00 0.00 46.02 44.37 2sns n GLY 50 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2sns s VAL 51 N -2.98 3.48 0.07 1.61 0.11 -1.26 -4.58 120.40 116.85 2sns s VAL 51 Ca 0.00 0.13 -0.31 0.00 -2.93 0.00 0.00 61.98 58.87 2sns s VAL 51 Cb 0.00 -4.23 -0.08 0.00 -1.53 0.00 0.00 36.38 30.54 2sns s VAL 51 CO 0.00 -1.18 1.70 -1.61 -3.33 0.00 0.00 175.10 170.68 2sns s GLU 52 N 6.64 4.18 -0.47 1.54 2.02 -1.21 -4.83 118.70 126.57 2sns s GLU 52 Ca 0.59 2.39 -0.44 0.00 0.02 0.00 0.00 54.97 57.53 2sns s GLU 52 Cb -0.10 -3.65 -0.19 0.00 0.10 0.00 0.00 34.13 30.29 2sns s GLU 52 CO 0.15 -0.77 1.55 1.63 0.02 0.00 0.00 175.26 177.83 2sns n LYS 53 N 5.82 0.00 -0.81 1.61 4.76 -1.26 0.94 118.16 129.22 2sns n LYS 53 Ca 0.16 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.60 2sns n LYS 53 Cb 0.40 -1.42 0.00 0.00 -1.84 0.00 0.00 35.03 32.18 2sns n LYS 53 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 2sns n TYR 54 N 4.01 0.00 -0.07 2.13 4.01 -1.26 -4.85 117.16 121.14 2sns n TYR 54 Ca 0.31 0.00 -0.05 0.00 -0.16 0.00 0.00 57.90 58.00 2sns n TYR 54 Cb -0.06 -0.41 -0.02 0.00 -0.31 0.00 0.00 39.34 38.55 2sns n TYR 54 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2sns n GLY 55 N -1.62 -0.81 0.39 2.72 0.00 0.27 -1.83 105.19 104.30 2sns n GLY 55 Ca 0.00 -0.19 -0.12 0.00 0.00 0.00 0.00 46.02 45.71 2sns n GLY 55 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2sns h PRO 56 N -0.89 -0.47 0.45 1.61 0.13 -1.85 -2.72 132.00 128.26 2sns h PRO 56 Ca 0.00 0.03 -0.02 0.00 -0.87 0.00 0.00 66.00 65.15 2sns h PRO 56 Cb 0.57 0.11 -0.01 0.00 0.13 0.00 0.00 31.00 31.80 2sns h PRO 56 CO 0.00 -0.31 -0.28 1.05 -0.23 0.00 0.00 178.00 178.23 2sns h GLU 57 N -0.49 -0.67 0.00 0.86 9.09 -1.94 -1.03 114.58 120.40 2sns h GLU 57 Ca 0.08 0.05 0.00 0.00 0.05 0.00 0.00 59.36 59.53 2sns h GLU 57 Cb 0.62 0.15 0.00 0.00 -1.65 0.00 0.00 28.75 27.87 2sns h GLU 57 CO -0.39 -0.45 0.88 0.00 0.05 0.00 0.00 179.01 179.11 2sns h ALA 58 N -0.19 1.77 0.00 1.06 0.00 -1.08 11.18 119.26 132.00 2sns h ALA 58 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2sns h ALA 58 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.37 2sns h ALA 58 CO 0.04 -0.77 -0.83 0.43 0.00 0.00 0.00 179.25 178.12 2sns n SER 59 N -2.17 0.79 -1.10 0.00 7.64 -0.43 -3.38 113.62 114.97 2sns n SER 59 Ca -0.00 -0.77 0.01 0.00 1.01 0.00 0.00 58.87 59.12 2sns n SER 59 Cb 0.88 1.08 0.14 0.00 -1.01 0.00 0.00 64.21 65.30 2sns n SER 59 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2sns n ALA 60 N -1.43 3.13 0.01 -0.43 0.00 3.52 -3.43 120.51 121.87 2sns n ALA 60 Ca 0.02 -0.78 0.00 0.00 0.00 0.00 0.00 53.44 52.69 2sns n ALA 60 Cb 0.26 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.64 2sns n ALA 60 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2sns n PHE 61 N 0.17 -0.06 -0.07 0.00 7.35 -1.18 -4.79 117.46 118.89 2sns n PHE 61 Ca 0.12 0.01 -0.10 0.00 -0.76 0.00 0.00 57.45 56.73 2sns n PHE 61 Cb 0.66 0.13 -0.02 0.00 0.35 0.00 0.00 39.48 40.60 2sns n PHE 61 CO 0.00 0.00 0.00 1.79 -0.76 0.00 0.00 176.76 177.79 2sns h THR 62 N 0.00 1.08 0.00 -2.13 1.35 -1.77 -2.79 112.91 108.65 2sns h THR 62 Ca 0.00 -0.15 0.00 0.00 -0.55 0.00 0.00 66.41 65.71 2sns h THR 62 Cb 0.68 0.72 0.00 0.00 -1.73 0.00 0.00 68.15 67.81 2sns h THR 62 CO 0.00 0.07 0.00 1.17 -0.25 0.00 0.00 175.52 176.51 2sns n LYS 63 N -4.90 0.00 0.00 4.72 4.81 -1.22 -1.68 118.16 119.89 2sns n LYS 63 Ca -0.02 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.42 2sns n LYS 63 Cb 0.03 -0.36 0.00 0.00 0.02 0.00 0.00 35.03 34.72 2sns n LYS 63 CO 0.00 0.00 0.00 0.36 1.17 0.00 0.00 177.40 178.93 2sns n LYS 64 N 0.00 0.00 0.00 1.64 2.85 -1.25 0.92 118.16 122.31 2sns n LYS 64 Ca 0.00 0.53 0.00 0.00 -1.05 0.00 0.00 58.31 57.79 2sns n LYS 64 Cb 0.00 -0.92 0.00 0.00 -0.65 0.00 0.00 35.03 33.46 2sns n LYS 64 CO 0.00 0.00 0.00 -0.12 -0.05 0.00 0.00 177.40 177.23 2sns n MET 65 N -1.58 0.00 0.11 -1.58 1.56 -1.05 0.99 117.12 115.57 2sns n MET 65 Ca 0.00 0.00 -0.23 0.00 -0.27 0.00 0.00 57.70 57.20 2sns n MET 65 Cb 0.00 0.00 -0.15 0.00 2.15 0.00 0.00 33.22 35.22 2sns n MET 65 CO 0.00 0.00 0.00 0.28 -0.73 0.00 0.00 175.97 175.52 2sns h VAL 66 N 0.00 1.12 0.07 1.12 2.07 0.15 -3.06 116.25 117.72 2sns h VAL 66 Ca 0.00 -2.64 -0.00 0.00 0.82 0.00 0.00 66.70 64.87 2sns h VAL 66 Cb 0.00 2.89 0.00 0.00 -1.52 0.00 0.00 31.29 32.66 2sns h VAL 66 CO 0.00 0.84 -0.03 -0.33 0.02 0.00 0.00 177.57 178.06 2sns h GLU 67 N 0.12 -0.09 0.00 1.57 5.08 5.22 -2.56 114.58 123.92 2sns h GLU 67 Ca -0.29 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.08 2sns h GLU 67 Cb 2.12 0.02 0.00 0.00 0.50 0.00 0.00 28.75 31.39 2sns h GLU 67 CO 0.22 0.29 0.00 0.09 -1.00 0.00 0.00 179.01 178.61 2sns n ASN 68 N -4.95 0.35 -4.79 1.42 5.03 0.16 -4.62 115.26 107.86 2sns n ASN 68 Ca -0.08 0.64 -0.38 0.00 0.87 0.00 0.00 54.58 55.63 2sns n ASN 68 Cb 0.22 -0.69 -0.06 0.00 -1.02 0.00 0.00 39.78 38.23 2sns n ASN 68 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2sns s ALA 69 N -3.28 3.41 -0.60 5.41 0.00 -0.96 -4.95 121.76 120.78 2sns s ALA 69 Ca 0.01 0.29 0.23 0.00 0.00 0.00 0.00 51.96 52.49 2sns s ALA 69 Cb 0.05 -2.92 0.18 0.00 0.00 0.00 0.00 23.12 20.44 2sns s ALA 69 CO 0.18 0.30 1.16 0.36 0.00 0.00 0.00 175.76 177.76 2sns n LYS 70 N 1.12 0.31 -3.49 0.00 2.85 -1.26 -4.95 118.16 112.73 2sns n LYS 70 Ca -0.04 0.04 -0.12 0.00 -1.05 0.00 0.00 58.31 57.14 2sns n LYS 70 Cb 0.50 -1.64 -0.03 0.00 -0.65 0.00 0.00 35.03 33.20 2sns n LYS 70 CO 0.00 0.00 0.00 -1.59 -0.05 0.00 0.00 177.40 175.76 2sns s LYS 71 N -3.19 0.99 0.00 -1.58 -2.85 -1.26 -5.07 119.74 106.78 2sns s LYS 71 Ca 0.05 -0.16 -0.21 0.00 -1.00 0.00 0.00 55.97 54.64 2sns s LYS 71 Cb 0.14 0.46 0.04 0.00 -2.06 0.00 0.00 37.83 36.41 2sns s LYS 71 CO 0.76 -0.39 0.46 0.42 0.10 0.00 0.00 175.35 176.71 2sns s ILE 72 N -2.59 0.04 0.24 3.79 1.01 -1.26 -3.78 121.20 118.65 2sns s ILE 72 Ca -0.01 -0.32 0.07 0.00 0.00 0.00 0.00 60.65 60.39 2sns s ILE 72 Cb -0.01 -0.86 -0.05 0.00 0.01 0.00 0.00 42.46 41.55 2sns s ILE 72 CO -0.04 -0.17 -0.09 -1.61 0.00 0.00 0.00 174.94 173.02 2sns s GLU 73 N -1.79 1.42 -0.03 2.79 2.02 -0.18 -1.42 118.70 121.51 2sns s GLU 73 Ca -0.09 -1.68 0.07 0.00 0.02 0.00 0.00 54.97 53.28 2sns s GLU 73 Cb -0.02 -1.09 -0.01 0.00 0.10 0.00 0.00 34.13 33.11 2sns s GLU 73 CO 0.03 0.10 -0.23 0.14 0.02 0.00 0.00 175.26 175.32 2sns s VAL 74 N -3.03 1.82 -0.24 2.63 -7.23 0.61 0.13 120.40 115.10 2sns s VAL 74 Ca 0.26 -0.97 -0.02 0.00 -1.81 0.00 0.00 61.98 59.44 2sns s VAL 74 Cb 0.02 -1.53 0.02 0.00 0.56 0.00 0.00 36.38 35.45 2sns s VAL 74 CO 0.09 0.51 -0.07 -0.70 -0.31 0.00 0.00 175.10 174.63 2sns s GLU 75 N -0.38 2.92 0.24 4.82 2.12 -1.26 -1.07 118.70 126.09 2sns s GLU 75 Ca 0.04 -0.92 -0.26 0.00 0.36 0.00 0.00 54.97 54.19 2sns s GLU 75 Cb -0.10 -2.96 -0.09 0.00 0.26 0.00 0.00 34.13 31.24 2sns s GLU 75 CO 0.01 -0.36 0.87 -0.06 -0.54 0.00 0.00 175.26 175.17 2sns s PHE 76 N 1.34 3.84 0.00 5.30 2.99 -1.25 -3.12 117.98 127.07 2sns s PHE 76 Ca 0.01 1.73 0.00 0.00 0.00 0.00 0.00 56.93 58.67 2sns s PHE 76 Cb -0.16 -2.86 0.00 0.00 0.00 0.00 0.00 43.02 40.00 2sns s PHE 76 CO -0.05 0.39 0.00 -1.71 -0.00 0.00 0.00 175.22 173.85 2sns n ASN 77 N 1.14 0.00 0.00 1.36 4.05 -1.26 -4.62 115.26 115.93 2sns n ASN 77 Ca -0.02 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.01 2sns n ASN 77 Cb 0.49 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.50 2sns n ASN 77 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 177.26 174.50 2sns n LYS 78 N 0.00 0.64 0.00 1.20 5.02 -1.26 -4.96 118.16 118.80 2sns n LYS 78 Ca 0.00 -0.17 0.00 0.00 -2.02 0.00 0.00 58.31 56.12 2sns n LYS 78 Cb 0.00 -0.60 0.00 0.00 -0.02 0.00 0.00 35.03 34.41 2sns n LYS 78 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2sns n GLY 79 N 0.14 1.74 3.77 0.72 0.00 -1.26 -4.81 105.19 105.50 2sns n GLY 79 Ca 0.00 -1.69 -0.36 0.00 0.00 0.00 0.00 46.02 43.97 2sns n GLY 79 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2sns s GLN 80 N 4.14 3.43 0.16 1.61 1.11 -1.26 -4.93 119.66 123.91 2sns s GLN 80 Ca 0.00 1.74 0.13 0.00 0.01 0.00 0.00 55.36 57.23 2sns s GLN 80 Cb 0.00 -2.15 -0.09 0.00 -1.01 0.00 0.00 33.01 29.76 2sns s GLN 80 CO 0.00 -0.82 1.20 0.00 0.01 0.00 0.00 175.29 175.69 2sns h ARG 81 N 1.47 0.00 -3.73 2.91 2.47 -1.96 -3.45 114.38 112.09 2sns h ARG 81 Ca -0.50 0.00 -0.09 0.00 -1.26 0.00 0.00 59.98 58.13 2sns h ARG 81 Cb 1.26 0.00 -0.15 0.00 -1.65 0.00 0.00 29.97 29.44 2sns h ARG 81 CO 0.58 0.62 -0.37 0.95 0.56 0.00 0.00 179.97 182.31 2sns s THR 82 N -2.84 0.13 0.44 2.04 -4.23 -1.26 -2.28 115.64 107.64 2sns s THR 82 Ca 0.01 -1.09 0.05 0.00 -1.18 0.00 0.00 61.69 59.48 2sns s THR 82 Cb 0.09 -1.23 0.01 0.00 1.34 0.00 0.00 72.50 72.71 2sns s THR 82 CO 0.79 -0.60 0.61 1.51 -0.54 0.00 0.00 174.62 176.39 2sns s ASP 83 N -2.67 5.65 -0.65 3.99 1.47 -0.81 -4.93 116.67 118.73 2sns s ASP 83 Ca 0.02 -0.19 -0.28 0.00 1.18 0.00 0.00 52.55 53.29 2sns s ASP 83 Cb 0.03 -0.94 -0.27 0.00 -0.34 0.00 0.00 42.92 41.40 2sns s ASP 83 CO -0.09 -0.78 1.88 2.29 0.68 0.00 0.00 175.17 179.15 2sns n LYS 84 N -1.95 0.35 0.00 2.11 2.85 -1.26 -1.55 118.16 118.70 2sns n LYS 84 Ca 0.05 -1.53 0.00 0.00 -1.05 0.00 0.00 58.31 55.79 2sns n LYS 84 Cb 0.59 -3.28 0.00 0.00 -0.65 0.00 0.00 35.03 31.69 2sns n LYS 84 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 2sns n TYR 85 N 14.06 0.00 0.00 5.58 4.02 -1.26 -4.98 117.16 134.58 2sns n TYR 85 Ca 0.45 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.34 2sns n TYR 85 Cb 0.44 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.76 2sns n TYR 85 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2sns n GLY 86 N -0.11 0.59 3.52 2.72 0.00 -0.59 -5.06 105.19 106.26 2sns n GLY 86 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 2sns n GLY 86 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2sns s ARG 87 N -0.72 3.35 0.56 1.61 0.52 -1.26 -4.69 118.95 118.33 2sns s ARG 87 Ca 0.00 -0.41 -0.18 0.00 -0.52 0.00 0.00 55.73 54.62 2sns s ARG 87 Cb 0.00 -3.91 -0.05 0.00 0.52 0.00 0.00 34.95 31.52 2sns s ARG 87 CO 0.00 -0.84 1.12 0.20 0.02 0.00 0.00 175.30 175.80 2sns s GLY 88 N 1.87 2.51 -0.13 -3.53 0.00 -1.10 -1.93 107.32 105.01 2sns s GLY 88 Ca 0.18 0.73 0.01 0.00 0.00 0.00 0.00 44.72 45.65 2sns s GLY 88 CO 0.16 1.08 -0.16 1.08 0.00 0.00 0.00 173.10 175.26 2sns s LEU 89 N -4.02 2.52 0.25 0.66 1.43 -0.96 0.38 118.68 118.93 2sns s LEU 89 Ca 0.71 -0.41 -0.22 0.00 -1.03 0.00 0.00 54.13 53.18 2sns s LEU 89 Cb -0.22 -1.55 0.03 0.00 0.03 0.00 0.00 46.19 44.48 2sns s LEU 89 CO 0.30 0.15 0.75 0.00 0.23 0.00 0.00 176.35 177.78 2sns s ALA 90 N 0.42 -1.32 -0.29 4.21 0.00 -0.59 -4.50 121.76 119.69 2sns s ALA 90 Ca -0.12 -0.16 0.03 0.00 0.00 0.00 0.00 51.96 51.70 2sns s ALA 90 Cb -0.16 0.81 0.37 0.00 0.00 0.00 0.00 23.12 24.14 2sns s ALA 90 CO 0.06 -1.01 1.45 0.66 0.00 0.00 0.00 175.76 176.91 2sns n TYR 91 N -0.45 1.59 0.00 0.00 4.01 -1.18 -2.55 117.16 118.57 2sns n TYR 91 Ca -0.05 -1.11 0.00 0.00 -0.16 0.00 0.00 57.90 56.57 2sns n TYR 91 Cb 0.60 -0.59 0.00 0.00 -0.31 0.00 0.00 39.34 39.04 2sns n TYR 91 CO 0.00 0.00 0.00 -0.89 -0.46 0.00 0.00 176.86 175.51 2sns n ILE 92 N -0.29 0.00 -4.36 -0.72 -0.00 -1.26 -4.33 119.36 108.40 2sns n ILE 92 Ca 0.30 0.00 -0.33 0.00 -0.00 0.00 0.00 62.75 62.72 2sns n ILE 92 Cb 1.09 0.00 -0.09 0.00 -0.00 0.00 0.00 39.64 40.63 2sns n ILE 92 CO 0.00 0.00 0.00 -0.31 -0.00 0.00 0.00 176.55 176.24 2sns s TYR 93 N 0.00 3.03 -0.32 1.39 2.02 0.35 -3.38 117.35 120.43 2sns s TYR 93 Ca 0.00 0.06 -0.02 0.00 -0.37 0.00 0.00 57.07 56.74 2sns s TYR 93 Cb 0.00 -1.67 0.11 0.00 -0.40 0.00 0.00 41.96 40.00 2sns s TYR 93 CO 0.00 0.43 0.14 0.00 -1.57 0.00 0.00 175.55 174.55 2sns s ALA 94 N -1.03 1.15 -1.23 3.71 0.00 -0.54 -1.01 121.76 122.82 2sns s ALA 94 Ca 0.18 -1.58 -0.00 0.00 0.00 0.00 0.00 51.96 50.56 2sns s ALA 94 Cb -0.11 -1.56 0.00 0.00 0.00 0.00 0.00 23.12 21.45 2sns s ALA 94 CO 0.08 -1.77 0.05 -0.25 0.00 0.00 0.00 175.76 173.86 2sns n ASP 95 N 4.74 -4.48 0.00 0.00 10.43 -1.25 -1.36 116.55 124.63 2sns n ASP 95 Ca -0.00 -0.03 0.00 0.00 2.57 0.00 0.00 54.79 57.32 2sns n ASP 95 Cb 0.40 -3.60 0.00 0.00 1.84 0.00 0.00 41.12 39.76 2sns n ASP 95 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2sns n GLY 96 N -1.04 0.65 3.57 0.44 0.00 -1.26 -5.01 105.19 102.53 2sns n GLY 96 Ca -0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.46 2sns n GLY 96 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2sns s LYS 97 N -0.10 3.76 -0.86 1.61 3.01 -0.47 -5.01 119.74 121.69 2sns s LYS 97 Ca 0.00 -0.34 -0.25 0.00 -1.01 0.00 0.00 55.97 54.37 2sns s LYS 97 Cb 0.00 -3.73 -0.00 0.00 -1.01 0.00 0.00 37.83 33.09 2sns s LYS 97 CO 0.00 -0.35 1.70 -1.64 0.51 0.00 0.00 175.35 175.57 2sns s MET 98 N 1.89 2.95 0.16 1.68 -1.94 -1.26 -1.46 119.30 121.31 2sns s MET 98 Ca 0.10 -0.34 -0.24 0.00 -1.71 0.00 0.00 55.69 53.50 2sns s MET 98 Cb -0.16 -4.89 0.05 0.00 2.01 0.00 0.00 34.83 31.84 2sns s MET 98 CO 0.11 -2.75 1.59 0.28 -0.01 0.00 0.00 175.02 174.24 2sns h VAL 99 N 6.88 0.20 -0.54 -6.03 2.07 -1.75 7.78 116.25 124.87 2sns h VAL 99 Ca 0.00 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.63 2sns h VAL 99 Cb 1.04 0.20 -0.09 0.00 -1.52 0.00 0.00 31.29 30.93 2sns h VAL 99 CO 1.28 0.00 -0.00 0.78 0.02 0.00 0.00 177.57 179.65 2sns h ASN 100 N -0.26 -0.24 0.01 0.57 4.21 -1.80 0.96 115.58 119.03 2sns h ASN 100 Ca 0.17 0.13 -0.14 0.00 1.21 0.00 0.00 56.30 57.67 2sns h ASN 100 Cb 0.55 0.23 0.01 0.00 -1.12 0.00 0.00 38.32 37.99 2sns h ASN 100 CO -0.55 -0.09 -0.54 1.05 -1.29 0.00 0.00 177.43 176.01 2sns h GLU 101 N 0.12 0.35 -0.65 0.81 -0.00 -1.30 -2.12 114.58 111.79 2sns h GLU 101 Ca 0.28 -0.39 0.13 0.00 -0.00 0.00 0.00 59.36 59.38 2sns h GLU 101 Cb 0.43 0.11 -0.12 0.00 -0.00 0.00 0.00 28.75 29.17 2sns h GLU 101 CO -0.46 1.08 -0.20 0.00 -0.00 0.00 0.00 179.01 179.43 2sns h ALA 102 N 0.28 0.34 -0.13 1.06 0.00 1.72 1.18 119.26 123.72 2sns h ALA 102 Ca -0.07 0.24 -0.07 0.00 0.00 0.00 0.00 54.91 55.01 2sns h ALA 102 Cb 1.28 0.56 -0.01 0.00 0.00 0.00 0.00 17.79 19.62 2sns h ALA 102 CO 0.11 -0.47 -0.25 -0.07 0.00 0.00 0.00 179.25 178.57 2sns h LEU 103 N -0.04 0.22 -0.11 0.00 4.07 0.92 -2.39 115.31 117.98 2sns h LEU 103 Ca 0.30 -0.06 -0.05 0.00 0.08 0.00 0.00 57.88 58.15 2sns h LEU 103 Cb 0.50 -0.06 -0.00 0.00 1.08 0.00 0.00 40.66 42.18 2sns h LEU 103 CO -0.68 0.47 -0.14 0.58 -1.08 0.00 0.00 178.44 177.60 2sns h VAL 104 N 0.20 1.37 0.00 1.22 2.07 0.29 -2.13 116.25 119.28 2sns h VAL 104 Ca 0.03 -1.33 0.00 0.00 0.82 0.00 0.00 66.70 66.22 2sns h VAL 104 Cb 0.55 1.99 0.00 0.00 -1.52 0.00 0.00 31.29 32.31 2sns h VAL 104 CO 0.04 0.38 0.00 -1.14 0.02 0.00 0.00 177.57 176.87 2sns n ARG 105 N -4.59 0.14 0.00 1.57 0.00 0.37 -2.41 116.66 111.73 2sns n ARG 105 Ca -0.07 0.57 0.11 0.00 -0.00 0.00 0.00 57.85 58.46 2sns n ARG 105 Cb 0.36 -1.89 0.01 0.00 0.00 0.00 0.00 32.46 30.94 2sns n ARG 105 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.63 178.67 2sns n GLN 106 N -2.17 0.51 -0.93 -0.14 1.13 -0.92 -4.55 117.38 110.30 2sns n GLN 106 Ca -0.00 -0.40 0.00 0.00 -1.94 0.00 0.00 57.00 54.66 2sns n GLN 106 Cb 0.08 -1.49 0.00 0.00 0.11 0.00 0.00 30.24 28.94 2sns n GLN 106 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2sns n GLY 107 N 1.46 0.46 0.69 1.08 0.00 -1.01 -4.44 105.19 103.42 2sns n GLY 107 Ca 0.07 -0.72 0.11 0.00 0.00 0.00 0.00 46.02 45.48 2sns n GLY 107 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2sns n LEU 108 N 0.00 2.42 -3.84 0.99 4.77 -0.84 -3.31 117.00 117.19 2sns n LEU 108 Ca 0.00 -0.88 -0.10 0.00 -0.03 0.00 0.00 56.01 55.01 2sns n LEU 108 Cb 0.00 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.03 2sns n LEU 108 CO 0.00 0.43 0.10 0.00 -1.33 0.00 0.00 177.39 176.59 2sns s ALA 109 N -2.14 -0.45 0.15 -1.18 0.00 -1.16 -4.30 121.76 112.68 2sns s ALA 109 Ca 0.22 -0.55 0.08 0.00 0.00 0.00 0.00 51.96 51.72 2sns s ALA 109 Cb 0.18 0.82 -0.04 0.00 0.00 0.00 0.00 23.12 24.08 2sns s ALA 109 CO 0.42 -0.70 -0.19 0.21 0.00 0.00 0.00 175.76 175.50 2sns s LYS 110 N -3.91 1.24 -0.61 0.00 2.20 0.01 -4.72 119.74 113.94 2sns s LYS 110 Ca 0.12 -1.35 -0.28 0.00 -0.36 0.00 0.00 55.97 54.10 2sns s LYS 110 Cb 0.02 -1.36 0.03 0.00 -1.51 0.00 0.00 37.83 35.01 2sns s LYS 110 CO -0.03 0.29 1.21 0.54 -0.36 0.00 0.00 175.35 177.00 2sns s VAL 111 N -1.82 3.95 0.06 4.02 0.11 -1.26 0.02 120.40 125.47 2sns s VAL 111 Ca 0.14 0.80 0.06 0.00 -2.93 0.00 0.00 61.98 60.05 2sns s VAL 111 Cb -0.07 -4.77 -0.03 0.00 -1.53 0.00 0.00 36.38 29.99 2sns s VAL 111 CO 0.06 -1.45 -0.17 0.00 -3.33 0.00 0.00 175.10 170.21 2sns s ALA 112 N 5.14 1.41 -0.05 1.54 0.00 -1.26 -4.84 121.76 123.70 2sns s ALA 112 Ca 0.41 -0.99 -0.04 0.00 0.00 0.00 0.00 51.96 51.34 2sns s ALA 112 Cb -0.08 -0.20 0.02 0.00 0.00 0.00 0.00 23.12 22.86 2sns s ALA 112 CO 0.23 0.27 0.08 0.66 0.00 0.00 0.00 175.76 177.00 2sns n TYR 113 N 1.58 -4.21 0.44 0.00 4.02 -1.26 -0.53 117.16 117.20 2sns n TYR 113 Ca -0.19 2.49 0.05 0.00 -0.01 0.00 0.00 57.90 60.23 2sns n TYR 113 Cb 0.54 -3.56 -0.03 0.00 -0.02 0.00 0.00 39.34 36.28 2sns n TYR 113 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 176.86 177.18 2sns n VAL 114 N 1.86 0.00 0.00 -0.72 0.24 -1.26 -2.47 118.33 115.98 2sns n VAL 114 Ca -0.13 -0.34 0.00 0.00 -2.04 0.00 0.00 64.34 61.83 2sns n VAL 114 Cb 0.21 1.06 0.00 0.00 -1.47 0.00 0.00 33.84 33.64 2sns n VAL 114 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 2sns n TYR 115 N -0.72 0.00 -3.51 6.34 4.01 -1.26 -3.39 117.16 118.63 2sns n TYR 115 Ca 0.03 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.36 2sns n TYR 115 Cb 0.18 0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 39.10 2sns n TYR 115 CO 0.00 0.00 0.00 0.15 -0.46 0.00 0.00 176.86 176.55 2sns s LYS 116 N 0.00 3.40 -0.36 -0.72 3.01 -1.26 -0.18 119.74 123.62 2sns s LYS 116 Ca 0.00 -0.71 0.06 0.00 -1.01 0.00 0.00 55.97 54.31 2sns s LYS 116 Cb 0.00 -3.84 0.47 0.00 -1.01 0.00 0.00 37.83 33.45 2sns s LYS 116 CO 0.00 -0.50 1.44 -0.35 0.51 0.00 0.00 175.35 176.45 2sns n PRO 117 N 5.13 2.84 -0.93 -1.68 -0.04 -1.26 -4.96 135.00 134.09 2sns n PRO 117 Ca -0.12 -3.68 -0.14 0.00 -0.04 0.00 0.00 63.50 59.52 2sns n PRO 117 Cb 0.49 -2.12 -0.13 0.00 -0.04 0.00 0.00 33.50 31.70 2sns n PRO 117 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2sns n ASN 118 N -0.89 5.08 -2.69 3.54 4.13 0.74 -3.85 115.26 121.32 2sns n ASN 118 Ca 0.44 -2.39 -0.08 0.00 1.68 0.00 0.00 54.58 54.23 2sns n ASN 118 Cb 0.91 -1.29 0.08 0.00 -1.54 0.00 0.00 39.78 37.95 2sns n ASN 118 CO 0.00 0.00 0.00 -0.46 0.28 0.00 0.00 177.26 177.08 2sns n ASN 119 N 2.71 -0.62 -2.37 6.41 0.23 -1.00 -4.47 115.26 116.15 2sns n ASN 119 Ca 0.43 -2.60 -0.20 0.00 -0.53 0.00 0.00 54.58 51.68 2sns n ASN 119 Cb 0.74 0.44 -0.13 0.00 -2.08 0.00 0.00 39.78 38.75 2sns n ASN 119 CO 0.00 0.00 0.00 0.41 -0.93 0.00 0.00 177.26 176.74 2sns n THR 120 N -0.36 3.38 -1.14 5.53 -1.04 -1.25 -2.64 114.28 116.77 2sns n THR 120 Ca 0.02 -1.92 0.00 0.00 -2.04 0.00 0.00 64.05 60.11 2sns n THR 120 Cb 0.83 -2.11 0.00 0.00 -1.82 0.00 0.00 70.33 67.23 2sns n THR 120 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 2sns n HIS 121 N 2.61 0.00 0.00 -1.42 8.25 -1.26 -5.08 115.22 118.32 2sns n HIS 121 Ca 0.52 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.98 2sns n HIS 121 Cb 0.72 0.14 0.00 0.00 1.12 0.00 0.00 29.99 31.97 2sns n HIS 121 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 2sns n GLU 122 N 0.00 0.00 0.00 -0.41 -0.58 -1.08 -3.11 120.64 115.46 2sns n GLU 122 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 2sns n GLU 122 Cb 0.23 -0.12 0.00 0.00 -0.57 0.00 0.00 31.44 30.98 2sns n GLU 122 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 2sns n GLN 123 N 0.00 0.00 0.00 3.49 1.13 -1.26 -1.44 117.38 119.30 2sns n GLN 123 Ca 0.00 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 2sns n GLN 123 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.35 2sns n GLN 123 CO 0.00 0.00 0.00 1.58 -1.44 0.00 0.00 177.06 177.20 2sns n HIS 124 N -2.74 0.00 0.28 1.08 -0.00 -1.18 -0.78 115.22 111.88 2sns n HIS 124 Ca 0.00 0.00 0.17 0.00 0.46 0.00 0.00 57.72 58.35 2sns n HIS 124 Cb 0.00 -0.44 0.86 0.00 -0.12 0.00 0.00 29.99 30.30 2sns n HIS 124 CO 0.00 0.00 0.00 -0.07 0.46 0.00 0.00 176.34 176.73 2sns h LEU 125 N 0.00 0.00 0.23 0.27 -0.00 -1.29 -2.46 115.31 112.07 2sns h LEU 125 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.87 2sns h LEU 125 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.66 2sns h LEU 125 CO 0.00 0.00 -0.11 0.03 -0.00 0.00 0.00 178.44 178.36 2sns h ARG 126 N 0.00 -0.30 -0.92 1.13 2.47 -1.29 -1.24 114.38 114.23 2sns h ARG 126 Ca 0.00 0.02 0.06 0.00 -1.26 0.00 0.00 59.98 58.80 2sns h ARG 126 Cb 0.11 0.07 -0.06 0.00 -1.65 0.00 0.00 29.97 28.44 2sns h ARG 126 CO 0.00 0.03 0.60 0.87 0.56 0.00 0.00 179.97 182.04 2sns h LYS 127 N -0.67 1.05 0.40 0.04 1.57 -0.47 -2.13 116.57 116.36 2sns h LYS 127 Ca -0.03 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.67 2sns h LYS 127 Cb 0.47 -0.24 0.00 0.00 0.08 0.00 0.00 32.23 32.55 2sns h LYS 127 CO 0.05 0.70 -0.19 0.77 -0.57 0.00 0.00 179.45 180.21 2sns h SER 128 N 1.08 -0.45 -0.87 0.86 0.02 -1.41 -1.69 113.55 111.10 2sns h SER 128 Ca 0.39 -0.02 0.22 0.00 -0.84 0.00 0.00 61.79 61.54 2sns h SER 128 Cb 0.15 0.12 -0.05 0.00 0.14 0.00 0.00 62.40 62.75 2sns h SER 128 CO -0.14 -0.27 0.59 -0.08 -1.14 0.00 0.00 176.83 175.79 2sns h GLU 129 N -0.59 0.22 -0.13 3.45 4.81 -0.80 0.64 114.58 122.19 2sns h GLU 129 Ca -0.05 -0.01 -0.15 0.00 -0.13 0.00 0.00 59.36 59.01 2sns h GLU 129 Cb 0.44 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.76 2sns h GLU 129 CO 0.09 0.15 -0.56 0.00 -0.73 0.00 0.00 179.01 177.96 2sns h ALA 130 N 1.60 0.80 -0.07 2.92 0.00 -0.83 -1.68 119.26 122.01 2sns h ALA 130 Ca 0.44 -0.51 -0.17 0.00 0.00 0.00 0.00 54.91 54.67 2sns h ALA 130 Cb 1.34 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 19.06 2sns h ALA 130 CO -0.10 0.69 -0.60 0.37 0.00 0.00 0.00 179.25 179.61 2sns h GLN 131 N 0.30 0.53 0.00 0.00 5.75 0.10 0.38 115.11 122.18 2sns h GLN 131 Ca 0.00 -0.48 0.00 0.00 -0.15 0.00 0.00 58.65 58.03 2sns h GLN 131 Cb 1.07 0.11 0.00 0.00 1.07 0.00 0.00 27.48 29.73 2sns h GLN 131 CO 0.10 1.11 0.00 0.00 -2.65 0.00 0.00 178.83 177.38 2sns n ALA 132 N -2.57 1.87 -0.06 3.38 0.00 0.43 -2.53 120.51 121.02 2sns n ALA 132 Ca -0.09 -0.07 -0.05 0.00 0.00 0.00 0.00 53.44 53.23 2sns n ALA 132 Cb 0.66 -1.28 -0.10 0.00 0.00 0.00 0.00 19.45 18.72 2sns n ALA 132 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2sns n LYS 133 N -1.40 1.70 0.15 0.00 4.81 -0.64 -0.23 118.16 122.56 2sns n LYS 133 Ca 0.06 -0.02 0.13 0.00 -0.87 0.00 0.00 58.31 57.61 2sns n LYS 133 Cb 0.17 -1.34 0.50 0.00 0.02 0.00 0.00 35.03 34.38 2sns n LYS 133 CO 0.00 0.00 0.00 1.57 1.17 0.00 0.00 177.40 180.14 2sns h LYS 134 N 0.00 0.00 0.00 1.64 2.10 0.05 -3.18 116.57 117.18 2sns h LYS 134 Ca -0.32 0.00 -0.16 0.00 -2.00 0.00 0.00 60.65 58.17 2sns h LYS 134 Cb 1.70 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 33.00 2sns h LYS 134 CO 0.02 0.00 -1.59 -0.85 -2.00 0.00 0.00 179.45 175.03 2sns n GLU 135 N -2.40 1.32 0.00 0.07 0.28 -1.12 -5.07 120.64 113.72 2sns n GLU 135 Ca 0.02 0.03 0.00 0.00 -0.16 0.00 0.00 57.16 57.06 2sns n GLU 135 Cb 0.28 -1.21 0.00 0.00 1.43 0.00 0.00 31.44 31.94 2sns n GLU 135 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 2sns n LYS 136 N -2.59 0.00 -3.85 3.44 4.76 -1.17 -4.99 118.16 113.76 2sns n LYS 136 Ca -0.16 0.00 -0.35 0.00 -2.87 0.00 0.00 58.31 54.92 2sns n LYS 136 Cb 0.73 0.00 -0.08 0.00 -1.84 0.00 0.00 35.03 33.84 2sns n LYS 136 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2sns s LEU 137 N 0.00 4.13 0.00 -0.35 2.01 0.68 -4.30 118.68 120.85 2sns s LEU 137 Ca 0.00 0.24 0.00 0.00 0.01 0.00 0.00 54.13 54.38 2sns s LEU 137 Cb 0.00 -2.05 0.00 0.00 0.01 0.00 0.00 46.19 44.15 2sns s LEU 137 CO 0.00 0.23 0.00 0.59 1.01 0.00 0.00 176.35 178.18 2sns n ASN 138 N 3.17 0.00 0.00 2.29 3.02 -1.26 -1.81 115.26 120.67 2sns n ASN 138 Ca -0.17 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.38 2sns n ASN 138 Cb 0.53 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.70 2sns n ASN 138 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 2sns n ILE 139 N 0.00 0.00 0.00 2.41 5.41 -1.21 0.28 119.36 126.25 2sns n ILE 139 Ca 0.00 0.62 0.00 0.00 1.00 0.00 0.00 62.75 64.37 2sns n ILE 139 Cb 0.00 -1.05 0.00 0.00 -0.71 0.00 0.00 39.64 37.88 2sns n ILE 139 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 176.55 177.34 2sns n TRP 140 N -0.43 0.00 0.45 1.39 5.03 -0.75 -5.08 117.44 118.04 2sns n TRP 140 Ca 0.00 0.00 0.04 0.00 3.03 0.00 0.00 57.50 60.57 2sns n TRP 140 Cb 0.00 0.00 0.21 0.00 -1.03 0.00 0.00 31.31 30.49 2sns n TRP 140 CO 0.00 0.00 0.00 0.43 -0.03 0.00 0.00 177.69 178.09