#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2tbd n SER 2 N 0.00 0.00 -4.87 1.61 2.88 -1.26 -5.04 113.62 106.93 2tbd n SER 2 Ca 0.00 0.00 -0.30 0.00 -1.33 0.00 0.00 58.87 57.24 2tbd n SER 2 Cb 0.00 -0.07 0.07 0.00 -0.75 0.00 0.00 64.21 63.46 2tbd n SER 2 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 2tbd s LYS 3 N -0.77 2.41 -0.94 -1.46 2.47 -1.26 -4.80 119.74 115.39 2tbd s LYS 3 Ca 0.00 0.37 -0.24 0.00 -1.56 0.00 0.00 55.97 54.53 2tbd s LYS 3 Cb 0.00 -1.98 -0.23 0.00 -1.46 0.00 0.00 37.83 34.16 2tbd s LYS 3 CO 0.00 -1.34 2.51 1.55 0.16 0.00 0.00 175.35 178.24 2tbd n VAL 4 N -3.19 -0.01 -2.30 4.02 3.14 -1.26 -4.81 118.33 113.91 2tbd n VAL 4 Ca 0.07 -0.24 -0.42 0.00 -2.96 0.00 0.00 64.34 60.79 2tbd n VAL 4 Cb 0.58 -0.68 -0.03 0.00 -1.06 0.00 0.00 33.84 32.65 2tbd n VAL 4 CO 0.00 0.00 0.00 -1.83 -6.46 0.00 0.00 176.83 168.54 2tbd s GLU 5 N 8.39 4.37 0.18 1.45 -1.05 -1.26 -5.00 118.70 125.79 2tbd s GLU 5 Ca 1.29 1.92 -0.20 0.00 -0.15 0.00 0.00 54.97 57.83 2tbd s GLU 5 Cb -0.98 -3.31 -0.08 0.00 -0.44 0.00 0.00 34.13 29.32 2tbd s GLU 5 CO 0.47 -0.35 0.69 -0.51 0.95 0.00 0.00 175.26 176.50 2tbd s ASP 6 N 1.11 7.08 -0.10 0.83 1.01 -1.26 -5.00 116.67 120.34 2tbd s ASP 6 Ca 0.62 1.39 -0.30 0.00 0.71 0.00 0.00 52.55 54.97 2tbd s ASP 6 Cb -0.33 -2.41 -0.02 0.00 1.01 0.00 0.00 42.92 41.18 2tbd s ASP 6 CO 0.29 0.11 1.06 -2.16 0.21 0.00 0.00 175.17 174.69 2tbd s PRO 7 N -1.71 4.39 0.02 8.23 0.04 -1.26 -4.92 135.00 139.80 2tbd s PRO 7 Ca 0.39 1.47 0.28 0.00 0.04 0.00 0.00 61.00 63.17 2tbd s PRO 7 Cb -0.18 -3.56 0.98 0.00 0.04 0.00 0.00 34.50 31.78 2tbd s PRO 7 CO 0.21 -0.38 1.76 1.17 0.04 0.00 0.00 177.00 179.80 2tbd n LYS 8 N 5.19 0.04 -0.89 4.56 3.00 -1.26 -4.96 118.16 123.85 2tbd n LYS 8 Ca 0.10 0.02 0.00 0.00 -0.00 0.00 0.00 58.31 58.43 2tbd n LYS 8 Cb 0.48 -1.53 0.00 0.00 0.00 0.00 0.00 35.03 33.97 2tbd n LYS 8 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 2tbd n ASP 9 N -1.59 0.00 -4.73 3.14 2.03 -1.26 -4.99 116.55 109.15 2tbd n ASP 9 Ca 0.06 -0.56 -0.30 0.00 0.52 0.00 0.00 54.79 54.51 2tbd n ASP 9 Cb 0.35 0.00 0.12 0.00 -0.72 0.00 0.00 41.12 40.88 2tbd n ASP 9 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 2tbd s PHE 10 N -3.77 2.31 0.50 -0.67 0.40 -1.26 -5.00 117.98 110.48 2tbd s PHE 10 Ca 0.00 1.46 -0.19 0.00 -0.60 0.00 0.00 56.93 57.61 2tbd s PHE 10 Cb 0.00 -3.13 -0.08 0.00 0.51 0.00 0.00 43.02 40.32 2tbd s PHE 10 CO 0.00 -2.23 1.00 -1.25 0.70 0.00 0.00 175.22 173.44 2tbd s PRO 11 N -4.86 3.87 0.43 0.24 0.04 -1.26 -4.86 135.00 128.59 2tbd s PRO 11 Ca 0.63 1.15 0.10 0.00 0.04 0.00 0.00 61.00 62.93 2tbd s PRO 11 Cb -0.18 -2.12 0.92 0.00 0.04 0.00 0.00 34.50 33.16 2tbd s PRO 11 CO 0.57 -0.35 2.01 0.66 0.04 0.00 0.00 177.00 179.93 2tbd h SER 12 N 1.27 0.24 0.03 6.66 4.64 -1.97 0.16 113.55 124.57 2tbd h SER 12 Ca -0.48 -0.03 -0.00 0.00 -0.47 0.00 0.00 61.79 60.81 2tbd h SER 12 Cb 1.20 -0.06 -0.00 0.00 -0.31 0.00 0.00 62.40 63.23 2tbd h SER 12 CO 0.60 0.28 -0.01 -0.08 -0.87 0.00 0.00 176.83 176.74 2tbd h GLU 13 N 0.26 0.00 0.00 4.77 4.81 -2.04 -1.63 114.58 120.75 2tbd h GLU 13 Ca 0.06 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.29 2tbd h GLU 13 Cb 0.16 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.54 2tbd h GLU 13 CO 0.00 0.01 -0.92 1.28 -0.73 0.00 0.00 179.01 178.66 2tbd n LEU 14 N -4.07 0.60 0.00 1.64 4.77 -0.33 -4.27 117.00 115.34 2tbd n LEU 14 Ca -0.03 -0.41 0.09 0.00 -0.03 0.00 0.00 56.01 55.63 2tbd n LEU 14 Cb 0.10 0.00 0.47 0.00 -2.33 0.00 0.00 43.42 41.65 2tbd n LEU 14 CO 0.30 0.15 0.75 0.18 -1.33 0.00 0.00 177.39 177.44 2tbd n LEU 15 N -1.50 0.00 0.22 2.23 4.77 0.40 -2.55 117.00 120.58 2tbd n LEU 15 Ca 0.02 0.22 0.15 0.00 -0.03 0.00 0.00 56.01 56.37 2tbd n LEU 15 Cb 0.28 -0.22 0.62 0.00 -2.33 0.00 0.00 43.42 41.77 2tbd n LEU 15 CO 0.32 -0.09 0.94 -1.28 -1.33 0.00 0.00 177.39 175.95 2tbd h SER 16 N 0.00 0.00 -1.57 -1.43 0.87 -1.73 -3.34 113.55 106.35 2tbd h SER 16 Ca 0.00 0.00 -0.46 0.00 -1.23 0.00 0.00 61.79 60.10 2tbd h SER 16 Cb 0.13 0.00 -0.31 0.00 -0.44 0.00 0.00 62.40 61.77 2tbd h SER 16 CO 0.00 0.00 -0.90 2.22 -0.53 0.00 0.00 176.83 177.62 2tbd n PHE 17 N -2.75 -1.44 -4.36 2.24 1.16 -1.06 -5.10 117.46 106.16 2tbd n PHE 17 Ca 0.01 -2.92 -0.19 0.00 -1.87 0.00 0.00 57.45 52.48 2tbd n PHE 17 Cb 0.27 0.35 -0.09 0.00 -1.61 0.00 0.00 39.48 38.40 2tbd n PHE 17 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 2tbd s LEU 18 N -0.62 1.73 0.03 5.98 1.43 -1.26 -4.40 118.68 121.57 2tbd s LEU 18 Ca 0.33 -1.51 -0.06 0.00 -1.03 0.00 0.00 54.13 51.87 2tbd s LEU 18 Cb 0.14 0.08 -0.29 0.00 0.03 0.00 0.00 46.19 46.15 2tbd s LEU 18 CO -0.15 -0.83 0.99 -1.28 0.23 0.00 0.00 176.35 175.30 2tbd h SER 19 N 2.21 0.49 -0.51 2.29 0.87 -1.92 -3.44 113.55 113.53 2tbd h SER 19 Ca -0.35 -0.58 -0.22 0.00 -1.23 0.00 0.00 61.79 59.40 2tbd h SER 19 Cb 1.25 -0.16 -0.09 0.00 -0.44 0.00 0.00 62.40 62.97 2tbd h SER 19 CO 0.56 1.47 -0.20 1.41 -0.53 0.00 0.00 176.83 179.54 2tbd n HIS 20 N -3.53 0.00 -3.84 2.24 -0.00 -1.26 -4.95 115.22 103.88 2tbd n HIS 20 Ca -0.14 0.00 -0.15 0.00 -0.00 0.00 0.00 57.72 57.44 2tbd n HIS 20 Cb 1.05 -2.45 -0.15 0.00 -0.00 0.00 0.00 29.99 28.43 2tbd n HIS 20 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2tbd s ALA 21 N -2.11 0.11 -0.20 -1.41 0.00 -1.26 -5.04 121.76 111.85 2tbd s ALA 21 Ca 0.00 0.18 -0.00 0.00 0.00 0.00 0.00 51.96 52.13 2tbd s ALA 21 Cb 0.00 -0.18 -0.13 0.00 0.00 0.00 0.00 23.12 22.81 2tbd s ALA 21 CO 0.00 -0.06 -0.19 0.28 0.00 0.00 0.00 175.76 175.78 2tbd n VAL 22 N 3.81 1.16 -1.85 0.00 0.31 -1.26 -4.57 118.33 115.94 2tbd n VAL 22 Ca -0.23 -0.42 -0.35 0.00 -0.01 0.00 0.00 64.34 63.33 2tbd n VAL 22 Cb 0.53 -1.31 0.04 0.00 -0.91 0.00 0.00 33.84 32.20 2tbd n VAL 22 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 2tbd n PHE 23 N -3.23 3.10 -0.43 3.52 3.01 -1.26 -3.67 117.46 118.50 2tbd n PHE 23 Ca -0.37 -2.65 0.00 0.00 1.01 0.00 0.00 57.45 55.44 2tbd n PHE 23 Cb 0.87 -1.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.34 2tbd n PHE 23 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 2tbd n SER 24 N -0.66 -1.09 -1.44 4.37 3.41 -1.26 -4.99 113.62 111.95 2tbd n SER 24 Ca 0.53 -0.43 0.03 0.00 -0.26 0.00 0.00 58.87 58.74 2tbd n SER 24 Cb 0.50 0.00 0.07 0.00 -0.26 0.00 0.00 64.21 64.53 2tbd n SER 24 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 2tbd n ASN 25 N -2.92 1.47 -4.45 4.04 0.23 -1.26 -4.77 115.26 107.59 2tbd n ASN 25 Ca 0.00 -2.61 -0.27 0.00 -0.53 0.00 0.00 54.58 51.17 2tbd n ASN 25 Cb 0.00 -0.38 -0.11 0.00 -2.08 0.00 0.00 39.78 37.20 2tbd n ASN 25 CO 0.00 0.00 0.00 -0.13 -0.93 0.00 0.00 177.26 176.20 2tbd s ARG 26 N -1.50 1.63 -0.36 -3.83 0.52 -1.26 -5.10 118.95 109.05 2tbd s ARG 26 Ca 0.35 -1.47 -0.22 0.00 -0.52 0.00 0.00 55.73 53.88 2tbd s ARG 26 Cb 0.38 -1.91 0.01 0.00 0.52 0.00 0.00 34.95 33.94 2tbd s ARG 26 CO -0.12 0.41 0.71 0.95 0.02 0.00 0.00 175.30 177.27 2tbd s THR 27 N -1.66 4.81 0.11 0.02 -4.23 -1.26 -3.85 115.64 109.58 2tbd s THR 27 Ca 0.21 0.73 0.06 0.00 -1.18 0.00 0.00 61.69 61.51 2tbd s THR 27 Cb -0.08 -4.15 -0.04 0.00 1.34 0.00 0.00 72.50 69.57 2tbd s THR 27 CO 0.11 -0.38 -0.00 -0.76 -0.54 0.00 0.00 174.62 173.05 2tbd s LEU 28 N 2.91 3.42 -0.09 4.79 1.02 -0.03 -4.78 118.68 125.93 2tbd s LEU 28 Ca 0.28 -0.23 0.13 0.00 0.02 0.00 0.00 54.13 54.32 2tbd s LEU 28 Cb -0.14 -2.13 0.19 0.00 0.02 0.00 0.00 46.19 44.13 2tbd s LEU 28 CO 0.16 0.15 1.09 0.00 0.02 0.00 0.00 176.35 177.77 2tbd n ALA 29 N 0.38 2.16 -3.74 4.21 0.00 -1.26 -1.51 120.51 120.76 2tbd n ALA 29 Ca -0.11 -2.07 -0.13 0.00 0.00 0.00 0.00 53.44 51.13 2tbd n ALA 29 Cb 0.53 -0.39 -0.14 0.00 0.00 0.00 0.00 19.45 19.45 2tbd n ALA 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2tbd s PHE 31 N 1.27 0.28 -0.16 0.00 0.40 -1.07 -2.25 117.98 116.45 2tbd s PHE 31 Ca -0.09 -0.73 -0.01 0.00 -0.60 0.00 0.00 56.93 55.51 2tbd s PHE 31 Cb -0.11 -0.18 0.04 0.00 0.51 0.00 0.00 43.02 43.28 2tbd s PHE 31 CO -0.07 -0.46 -0.04 0.00 0.70 0.00 0.00 175.22 175.34 2tbd s ALA 32 N -3.68 1.42 0.03 5.36 0.00 -0.54 -2.63 121.76 121.71 2tbd s ALA 32 Ca 0.04 -0.79 -0.20 0.00 0.00 0.00 0.00 51.96 51.01 2tbd s ALA 32 Cb 0.05 -1.11 -0.06 0.00 0.00 0.00 0.00 23.12 22.00 2tbd s ALA 32 CO -0.10 -0.80 0.58 0.42 0.00 0.00 0.00 175.76 175.87 2tbd s ILE 33 N 1.66 4.83 -0.27 0.00 -1.09 -0.14 -2.49 121.20 123.70 2tbd s ILE 33 Ca 0.01 1.23 0.02 0.00 -2.23 0.00 0.00 60.65 59.68 2tbd s ILE 33 Cb -0.15 -3.92 0.06 0.00 -1.58 0.00 0.00 42.46 36.87 2tbd s ILE 33 CO -0.08 0.48 -0.10 -0.47 -1.23 0.00 0.00 174.94 173.55 2tbd s TYR 34 N -0.61 3.27 0.12 3.97 5.04 -0.26 -0.36 117.35 128.52 2tbd s TYR 34 Ca 0.30 -2.29 -0.19 0.00 -2.44 0.00 0.00 57.07 52.45 2tbd s TYR 34 Cb -0.19 -1.96 0.05 0.00 0.35 0.00 0.00 41.96 40.21 2tbd s TYR 34 CO 0.18 -0.87 0.47 0.95 -1.34 0.00 0.00 175.55 174.94 2tbd s THR 35 N 1.11 0.05 0.92 4.34 -4.23 -1.04 -1.42 115.64 115.37 2tbd s THR 35 Ca -0.08 -0.37 -0.16 0.00 -1.18 0.00 0.00 61.69 59.89 2tbd s THR 35 Cb -0.20 -1.09 -0.09 0.00 1.34 0.00 0.00 72.50 72.47 2tbd s THR 35 CO -0.05 -0.21 -0.28 0.35 -0.54 0.00 0.00 174.62 173.90 2tbd n THR 36 N -0.15 0.17 -0.27 3.99 -2.24 -1.26 -1.89 114.28 112.63 2tbd n THR 36 Ca -0.17 -0.40 -0.02 0.00 -2.27 0.00 0.00 64.05 61.19 2tbd n THR 36 Cb 0.63 -0.24 0.09 0.00 -2.10 0.00 0.00 70.33 68.71 2tbd n THR 36 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 2tbd h LYS 37 N -1.01 0.86 -0.50 -0.78 2.10 -1.85 -0.34 116.57 115.05 2tbd h LYS 37 Ca -0.44 -0.05 0.14 0.00 -2.00 0.00 0.00 60.65 58.31 2tbd h LYS 37 Cb 1.31 -0.19 -0.02 0.00 -0.90 0.00 0.00 32.23 32.43 2tbd h LYS 37 CO 0.30 0.57 0.45 1.49 -2.00 0.00 0.00 179.45 180.26 2tbd h GLU 38 N 0.89 0.00 0.00 0.07 4.81 -1.99 -1.69 114.58 116.66 2tbd h GLU 38 Ca 0.31 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.51 2tbd h GLU 38 Cb 0.06 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.43 2tbd h GLU 38 CO -0.13 0.00 -0.55 0.87 -0.73 0.00 0.00 179.01 178.48 2tbd h LYS 39 N 0.00 0.00 -1.19 1.92 6.56 -1.38 -3.33 116.57 119.15 2tbd h LYS 39 Ca 0.24 0.00 0.34 0.00 -1.06 0.00 0.00 60.65 60.17 2tbd h LYS 39 Cb 1.13 0.00 -0.05 0.00 -0.57 0.00 0.00 32.23 32.75 2tbd h LYS 39 CO -0.00 0.12 1.03 0.00 -2.06 0.00 0.00 179.45 178.54 2tbd h ALA 40 N -0.94 3.08 -0.03 3.86 0.00 -1.09 0.55 119.26 124.68 2tbd h ALA 40 Ca -0.04 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 2tbd h ALA 40 Cb 0.56 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 2tbd h ALA 40 CO -0.02 -1.65 -0.01 0.00 0.00 0.00 0.00 179.25 177.57 2tbd h ALA 41 N 1.05 0.04 0.77 0.00 0.00 -1.45 -0.76 119.26 118.91 2tbd h ALA 41 Ca 0.56 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 55.25 2tbd h ALA 41 Cb 2.63 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 20.41 2tbd h ALA 41 CO -0.01 -0.27 -0.37 -0.07 0.00 0.00 0.00 179.25 178.54 2tbd h LEU 42 N -0.28 -0.87 -1.36 0.00 -0.00 -0.03 -2.68 115.31 110.08 2tbd h LEU 42 Ca 0.01 0.01 0.17 0.00 -0.00 0.00 0.00 57.88 58.07 2tbd h LEU 42 Cb 0.37 0.23 -0.07 0.00 -0.00 0.00 0.00 40.66 41.19 2tbd h LEU 42 CO 0.00 -0.54 0.58 -0.07 -0.00 0.00 0.00 178.44 178.42 2tbd h LEU 43 N -1.19 0.55 0.59 1.67 3.38 -1.48 0.17 115.31 119.01 2tbd h LEU 43 Ca -0.11 0.05 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 2tbd h LEU 43 Cb 0.81 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.49 2tbd h LEU 43 CO 0.17 0.25 -0.40 0.22 0.09 0.00 0.00 178.44 178.77 2tbd h TYR 44 N 0.57 -1.08 0.00 1.13 5.03 -0.93 0.11 116.97 121.80 2tbd h TYR 44 Ca 0.47 -0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.77 2tbd h TYR 44 Cb 0.93 0.39 0.00 0.00 1.55 0.00 0.00 36.73 39.60 2tbd h TYR 44 CO -0.00 -0.58 0.00 0.36 -1.32 0.00 0.00 178.16 176.62 2tbd n LYS 45 N -4.91 0.05 0.00 1.82 2.85 -0.84 -1.98 118.16 115.15 2tbd n LYS 45 Ca -0.11 0.32 0.00 0.00 -1.05 0.00 0.00 58.31 57.47 2tbd n LYS 45 Cb 0.40 -1.60 0.00 0.00 -0.65 0.00 0.00 35.03 33.18 2tbd n LYS 45 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 2tbd n LYS 46 N -1.70 0.00 -0.07 -1.58 5.02 0.55 -4.30 118.16 116.08 2tbd n LYS 46 Ca 0.03 0.14 0.25 0.00 -2.02 0.00 0.00 58.31 56.71 2tbd n LYS 46 Cb 0.17 -0.53 0.72 0.00 -0.02 0.00 0.00 35.03 35.36 2tbd n LYS 46 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 2tbd h ILE 47 N 0.00 0.48 -1.29 -0.18 2.04 -0.94 -1.82 117.51 115.80 2tbd h ILE 47 Ca 0.00 0.00 0.37 0.00 1.00 0.00 0.00 64.86 66.23 2tbd h ILE 47 Cb 0.00 0.58 -0.05 0.00 -0.74 0.00 0.00 36.82 36.61 2tbd h ILE 47 CO 0.00 0.00 1.26 -0.03 0.00 0.00 0.00 178.15 179.38 2tbd h MET 48 N 0.00 0.00 0.00 2.37 4.05 -1.51 0.19 114.93 120.02 2tbd h MET 48 Ca 0.33 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.75 2tbd h MET 48 Cb 1.47 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.27 2tbd h MET 48 CO -0.00 0.00 0.00 0.39 0.23 0.00 0.00 176.91 177.53 2tbd n GLU 49 N -3.46 4.83 0.19 0.39 1.02 -0.69 -3.81 120.64 119.12 2tbd n GLU 49 Ca 0.29 -0.00 0.12 0.00 -0.02 0.00 0.00 57.16 57.55 2tbd n GLU 49 Cb 1.64 -0.35 0.23 0.00 -0.02 0.00 0.00 31.44 32.94 2tbd n GLU 49 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 2tbd h LYS 50 N 0.00 0.00 0.00 3.49 1.63 -0.56 -3.34 116.57 117.80 2tbd h LYS 50 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 2tbd h LYS 50 Cb 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.63 2tbd h LYS 50 CO 0.00 0.00 -0.45 0.66 -3.45 0.00 0.00 179.45 176.21 2tbd n TYR 51 N -2.90 0.00 -4.06 1.91 4.02 -0.89 -5.00 117.16 110.25 2tbd n TYR 51 Ca 0.04 -0.02 -0.27 0.00 -0.01 0.00 0.00 57.90 57.64 2tbd n TYR 51 Cb 0.51 -0.05 -0.04 0.00 -0.02 0.00 0.00 39.34 39.73 2tbd n TYR 51 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 2tbd n SER 52 N -0.03 -0.02 -3.00 7.72 7.64 -1.25 -3.82 113.62 120.85 2tbd n SER 52 Ca 0.00 -1.10 -0.43 0.00 1.01 0.00 0.00 58.87 58.36 2tbd n SER 52 Cb 0.68 -2.59 -0.07 0.00 -1.01 0.00 0.00 64.21 61.23 2tbd n SER 52 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 2tbd n VAL 53 N -4.46 0.00 0.29 0.44 0.24 -1.25 -4.34 118.33 109.24 2tbd n VAL 53 Ca -0.31 0.00 0.10 0.00 -2.04 0.00 0.00 64.34 62.09 2tbd n VAL 53 Cb 0.69 -0.32 0.47 0.00 -1.47 0.00 0.00 33.84 33.21 2tbd n VAL 53 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 2tbd n THR 54 N 3.01 1.02 -3.39 3.34 -1.04 -1.14 -4.60 114.28 111.46 2tbd n THR 54 Ca 0.24 0.44 0.03 0.00 -2.04 0.00 0.00 64.05 62.72 2tbd n THR 54 Cb -0.04 -1.39 -0.05 0.00 -1.82 0.00 0.00 70.33 67.04 2tbd n THR 54 CO 0.00 0.00 0.00 0.12 -0.64 0.00 0.00 175.07 174.55 2tbd s PHE 55 N -3.35 -0.11 -0.20 -1.42 5.36 -1.26 -4.89 117.98 112.11 2tbd s PHE 55 Ca 0.02 0.19 0.00 0.00 -0.96 0.00 0.00 56.93 56.18 2tbd s PHE 55 Cb 0.07 0.06 0.05 0.00 -0.34 0.00 0.00 43.02 42.87 2tbd s PHE 55 CO 0.28 -0.05 -0.05 -1.50 -1.46 0.00 0.00 175.22 172.43 2tbd s ILE 56 N 1.63 1.32 0.34 3.12 2.07 -1.25 -2.28 121.20 126.13 2tbd s ILE 56 Ca -0.03 -0.94 0.06 0.00 -1.41 0.00 0.00 60.65 58.33 2tbd s ILE 56 Cb -0.02 -1.55 -0.07 0.00 0.13 0.00 0.00 42.46 40.96 2tbd s ILE 56 CO -0.13 -0.00 -0.01 -0.94 -1.91 0.00 0.00 174.94 171.94 2tbd s SER 57 N 1.51 3.10 -0.11 4.50 1.04 -0.34 -2.33 113.70 121.07 2tbd s SER 57 Ca -0.03 -1.29 -0.01 0.00 0.48 0.00 0.00 55.95 55.10 2tbd s SER 57 Cb -0.17 -0.23 0.03 0.00 0.10 0.00 0.00 66.02 65.74 2tbd s SER 57 CO -0.07 -0.42 -0.04 -0.13 0.98 0.00 0.00 173.24 173.56 2tbd s ARG 58 N -3.75 1.10 0.47 4.02 0.52 -0.81 -1.36 118.95 119.15 2tbd s ARG 58 Ca 0.33 -0.16 0.04 0.00 -0.52 0.00 0.00 55.73 55.42 2tbd s ARG 58 Cb 0.07 -1.45 -0.03 0.00 0.52 0.00 0.00 34.95 34.05 2tbd s ARG 58 CO 0.15 -0.33 0.05 -1.01 0.02 0.00 0.00 175.30 174.18 2tbd s HIS 59 N 1.81 2.13 -0.21 -0.53 3.76 -1.02 -1.81 115.29 119.42 2tbd s HIS 59 Ca 0.04 -0.82 -0.03 0.00 -0.15 0.00 0.00 55.06 54.09 2tbd s HIS 59 Cb -0.13 -1.72 -0.01 0.00 1.11 0.00 0.00 32.58 31.83 2tbd s HIS 59 CO -0.07 0.25 -0.06 -0.80 -0.85 0.00 0.00 174.74 173.21 2tbd s ASN 60 N -3.85 4.25 -0.08 1.40 0.02 -0.27 -1.18 114.94 115.23 2tbd s ASN 60 Ca 0.20 -0.38 -0.06 0.00 -1.02 0.00 0.00 52.86 51.60 2tbd s ASN 60 Cb 0.04 -1.72 -0.02 0.00 0.02 0.00 0.00 41.25 39.57 2tbd s ASN 60 CO 0.11 0.00 -0.11 -1.54 0.02 0.00 0.00 177.10 175.58 2tbd n SER 61 N 4.63 0.96 0.19 -1.22 3.41 -1.11 -1.63 113.62 118.85 2tbd n SER 61 Ca -0.18 0.40 0.00 0.00 -0.26 0.00 0.00 58.87 58.83 2tbd n SER 61 Cb 0.51 -0.68 0.00 0.00 -0.26 0.00 0.00 64.21 63.78 2tbd n SER 61 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 2tbd n TYR 62 N -3.50 -3.82 -0.18 7.33 4.01 -1.26 -4.56 117.16 115.18 2tbd n TYR 62 Ca -0.04 1.14 0.00 0.00 -0.16 0.00 0.00 57.90 58.83 2tbd n TYR 62 Cb 0.16 2.72 0.00 0.00 -0.31 0.00 0.00 39.34 41.91 2tbd n TYR 62 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 2tbd n ASN 63 N -3.36 1.42 0.00 7.72 3.02 -1.26 -5.06 115.26 117.74 2tbd n ASN 63 Ca 0.00 -1.60 0.00 0.00 -0.03 0.00 0.00 54.58 52.95 2tbd n ASN 63 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 2tbd n ASN 63 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 2tbd n HIS 64 N -0.30 0.00 -4.39 3.10 8.25 -1.26 -4.75 115.22 115.86 2tbd n HIS 64 Ca 0.00 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.26 2tbd n HIS 64 Cb 0.23 0.00 -0.14 0.00 1.12 0.00 0.00 29.99 31.20 2tbd n HIS 64 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 2tbd s ASN 65 N 1.50 1.54 -0.52 0.41 0.02 -0.79 -2.75 114.94 114.34 2tbd s ASN 65 Ca 0.00 -0.38 -0.16 0.00 -1.02 0.00 0.00 52.86 51.29 2tbd s ASN 65 Cb 0.00 -0.11 0.10 0.00 0.02 0.00 0.00 41.25 41.25 2tbd s ASN 65 CO 0.00 0.06 0.50 -0.63 0.02 0.00 0.00 177.10 177.04 2tbd s ILE 66 N -0.69 5.15 -0.38 0.60 -1.09 -0.33 -2.48 121.20 121.97 2tbd s ILE 66 Ca 0.02 -1.20 -0.29 0.00 -2.23 0.00 0.00 60.65 56.95 2tbd s ILE 66 Cb -0.07 -4.28 0.02 0.00 -1.58 0.00 0.00 42.46 36.55 2tbd s ILE 66 CO 0.01 -0.79 1.15 -0.22 -1.23 0.00 0.00 174.94 173.86 2tbd s LEU 67 N 1.83 3.79 -0.19 2.97 2.96 0.51 -2.44 118.68 128.11 2tbd s LEU 67 Ca 0.05 0.84 -0.17 0.00 -0.22 0.00 0.00 54.13 54.63 2tbd s LEU 67 Cb -0.26 -3.55 -0.04 0.00 0.50 0.00 0.00 46.19 42.85 2tbd s LEU 67 CO 0.05 -1.08 0.47 0.12 -1.32 0.00 0.00 176.35 174.59 2tbd s PHE 68 N 4.17 3.40 -0.16 5.38 5.36 -0.46 -0.96 117.98 134.71 2tbd s PHE 68 Ca 0.49 0.74 -0.06 0.00 -0.96 0.00 0.00 56.93 57.14 2tbd s PHE 68 Cb -0.11 -2.59 0.07 0.00 -0.34 0.00 0.00 43.02 40.05 2tbd s PHE 68 CO 0.24 -0.02 0.34 -0.59 -1.46 0.00 0.00 175.22 173.73 2tbd s PHE 69 N 1.33 -0.58 0.44 10.12 -0.71 -1.08 -1.20 117.98 126.30 2tbd s PHE 69 Ca 0.23 1.20 -0.01 0.00 -1.04 0.00 0.00 56.93 57.31 2tbd s PHE 69 Cb -0.15 0.13 0.09 0.00 -1.21 0.00 0.00 43.02 41.88 2tbd s PHE 69 CO 0.09 -0.39 0.60 1.28 -1.34 0.00 0.00 175.22 175.46 2tbd n LEU 70 N 5.17 0.00 -3.58 -1.99 4.77 -0.97 -2.59 117.00 117.81 2tbd n LEU 70 Ca -0.10 -1.21 -0.16 0.00 -0.03 0.00 0.00 56.01 54.51 2tbd n LEU 70 Cb 0.50 -0.40 -0.07 0.00 -2.33 0.00 0.00 43.42 41.13 2tbd n LEU 70 CO 0.03 -0.81 0.39 0.42 -1.33 0.00 0.00 177.39 176.09 2tbd s THR 71 N -1.80 0.00 0.00 -5.08 -4.23 -0.26 -2.91 115.64 101.37 2tbd s THR 71 Ca 0.39 -0.03 0.00 0.00 -1.18 0.00 0.00 61.69 60.87 2tbd s THR 71 Cb -0.02 -0.95 0.00 0.00 1.34 0.00 0.00 72.50 72.86 2tbd s THR 71 CO 0.26 -0.02 0.04 -0.81 -0.54 0.00 0.00 174.62 173.56 2tbd n PRO 72 N 1.66 0.00 -0.60 3.99 -0.04 -1.25 -4.66 135.00 134.11 2tbd n PRO 72 Ca -0.17 0.03 -0.21 0.00 -0.04 0.00 0.00 63.50 63.11 2tbd n PRO 72 Cb 0.56 -0.57 0.14 0.00 -0.04 0.00 0.00 33.50 33.59 2tbd n PRO 72 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 2tbd n HIS 73 N -0.59 -2.05 -4.12 0.54 1.44 -1.26 -4.94 115.22 104.24 2tbd n HIS 73 Ca 0.00 0.10 -0.33 0.00 -2.01 0.00 0.00 57.72 55.48 2tbd n HIS 73 Cb 0.00 -1.42 -0.07 0.00 0.12 0.00 0.00 29.99 28.62 2tbd n HIS 73 CO 0.00 0.00 0.00 1.03 -2.81 0.00 0.00 176.34 174.56 2tbd s ARG 74 N -3.27 3.06 -0.13 -1.40 0.52 -1.26 -4.70 118.95 111.77 2tbd s ARG 74 Ca 0.38 -0.48 -0.11 0.00 -0.52 0.00 0.00 55.73 55.00 2tbd s ARG 74 Cb -0.05 -2.86 0.04 0.00 0.52 0.00 0.00 34.95 32.60 2tbd s ARG 74 CO 0.40 0.65 0.33 -1.01 0.02 0.00 0.00 175.30 175.69 2tbd s HIS 75 N -1.17 -0.38 0.33 -0.53 0.09 -0.57 -4.95 115.29 108.11 2tbd s HIS 75 Ca 0.22 0.90 -0.29 0.00 -0.00 0.00 0.00 55.06 55.90 2tbd s HIS 75 Cb -0.12 0.13 -0.10 0.00 -0.00 0.00 0.00 32.58 32.49 2tbd s HIS 75 CO 0.13 -0.19 1.27 0.50 -0.00 0.00 0.00 174.74 176.45 2tbd s ARG 76 N 0.36 4.39 0.48 1.40 3.52 -1.26 -0.85 118.95 126.98 2tbd s ARG 76 Ca -0.02 2.14 0.27 0.00 -0.13 0.00 0.00 55.73 58.00 2tbd s ARG 76 Cb -0.03 -3.07 1.49 0.00 -1.56 0.00 0.00 34.95 31.78 2tbd s ARG 76 CO -0.01 -0.13 1.82 0.28 -0.81 0.00 0.00 175.30 176.44 2tbd h VAL 77 N 3.01 0.00 -0.24 7.11 2.07 -1.86 0.14 116.25 126.49 2tbd h VAL 77 Ca -0.49 0.00 -0.18 0.00 0.82 0.00 0.00 66.70 66.85 2tbd h VAL 77 Cb 1.22 0.61 0.00 0.00 -1.52 0.00 0.00 31.29 31.61 2tbd h VAL 77 CO 0.65 0.00 -0.57 0.28 0.02 0.00 0.00 177.57 177.96 2tbd h SER 78 N 0.00 0.91 0.48 0.57 0.02 -1.86 -0.39 113.55 113.28 2tbd h SER 78 Ca 0.00 -0.56 -0.02 0.00 -0.84 0.00 0.00 61.79 60.36 2tbd h SER 78 Cb 0.26 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 62.54 2tbd h SER 78 CO 0.00 1.31 -0.23 0.00 -1.14 0.00 0.00 176.83 176.76 2tbd h ALA 79 N 0.63 -0.65 -0.89 3.77 0.00 -1.07 -2.32 119.26 118.74 2tbd h ALA 79 Ca -0.00 -0.18 0.15 0.00 0.00 0.00 0.00 54.91 54.88 2tbd h ALA 79 Cb 1.18 0.25 -0.07 0.00 0.00 0.00 0.00 17.79 19.15 2tbd h ALA 79 CO 0.12 -0.65 0.57 0.82 0.00 0.00 0.00 179.25 180.12 2tbd h ILE 80 N -1.08 0.81 -0.92 0.00 1.08 -1.57 0.32 117.51 116.15 2tbd h ILE 80 Ca -0.07 -0.22 0.05 0.00 -0.39 0.00 0.00 64.86 64.23 2tbd h ILE 80 Cb 0.57 0.11 -0.06 0.00 -3.07 0.00 0.00 36.82 34.37 2tbd h ILE 80 CO 0.11 0.12 0.59 -1.13 -0.69 0.00 0.00 178.15 177.14 2tbd h ASN 81 N 0.64 0.95 0.06 1.72 -1.24 -0.96 0.22 115.58 116.98 2tbd h ASN 81 Ca 0.45 0.00 -0.02 0.00 0.71 0.00 0.00 56.30 57.44 2tbd h ASN 81 Cb 0.79 -0.20 -0.00 0.00 0.73 0.00 0.00 38.32 39.63 2tbd h ASN 81 CO -0.20 0.63 -0.07 0.78 -1.29 0.00 0.00 177.43 177.27 2tbd h ASN 82 N 1.10 0.04 0.32 1.15 -0.26 0.20 0.08 115.58 118.20 2tbd h ASN 82 Ca 0.38 -0.00 -0.02 0.00 -0.56 0.00 0.00 56.30 56.10 2tbd h ASN 82 Cb 0.09 -0.01 0.00 0.00 -1.06 0.00 0.00 38.32 37.35 2tbd h ASN 82 CO -0.15 0.12 -0.15 0.22 -1.06 0.00 0.00 177.43 176.41 2tbd h TYR 83 N 0.04 -0.39 -0.03 1.19 5.03 -0.10 -0.14 116.97 122.57 2tbd h TYR 83 Ca 0.01 -0.01 0.01 0.00 2.58 0.00 0.00 58.73 61.32 2tbd h TYR 83 Cb 0.16 0.13 -0.00 0.00 1.55 0.00 0.00 36.73 38.57 2tbd h TYR 83 CO 0.00 -0.24 0.10 0.00 -1.32 0.00 0.00 178.16 176.70 2tbd h ALA 84 N -1.80 1.24 -0.14 1.82 0.00 -1.33 0.41 119.26 119.47 2tbd h ALA 84 Ca -0.04 -0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.70 2tbd h ALA 84 Cb 0.32 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 2tbd h ALA 84 CO 0.07 -0.11 -0.60 0.37 0.00 0.00 0.00 179.25 178.98 2tbd h GLN 85 N 0.00 0.45 0.00 0.00 5.75 -0.32 -2.55 115.11 118.44 2tbd h GLN 85 Ca 0.01 -0.31 -0.01 0.00 -0.15 0.00 0.00 58.65 58.19 2tbd h GLN 85 Cb 0.21 0.04 -0.00 0.00 1.07 0.00 0.00 27.48 28.80 2tbd h GLN 85 CO -0.00 0.92 -0.06 0.87 -2.65 0.00 0.00 178.83 177.90 2tbd h LYS 86 N 0.34 0.00 -0.78 1.69 1.57 0.94 -1.74 116.57 118.59 2tbd h LYS 86 Ca -0.00 0.00 -0.49 0.00 -1.87 0.00 0.00 60.65 58.29 2tbd h LYS 86 Cb 1.13 0.00 -0.27 0.00 0.08 0.00 0.00 32.23 33.17 2tbd h LYS 86 CO 0.11 0.06 0.25 1.28 -0.57 0.00 0.00 179.45 180.58 2tbd n LEU 87 N -3.36 6.04 -0.60 2.94 4.32 -0.97 -4.42 117.00 120.96 2tbd n LEU 87 Ca -0.01 -4.11 0.05 0.00 -0.02 0.00 0.00 56.01 51.92 2tbd n LEU 87 Cb 0.22 -0.74 0.14 0.00 -1.62 0.00 0.00 43.42 41.42 2tbd n LEU 87 CO 0.27 1.46 0.61 0.00 -1.22 0.00 0.00 177.39 178.51 2tbd n THR 89 N 0.48 2.81 0.00 0.00 -2.24 -1.26 -4.75 114.28 109.32 2tbd n THR 89 Ca 0.11 -1.73 0.00 0.00 -2.27 0.00 0.00 64.05 60.16 2tbd n THR 89 Cb 0.41 -1.60 0.00 0.00 -2.10 0.00 0.00 70.33 67.04 2tbd n THR 89 CO 0.00 0.00 0.00 2.22 -0.57 0.00 0.00 175.07 176.72 2tbd n PHE 90 N 1.25 0.00 -3.21 4.78 1.16 -1.26 -5.14 117.46 115.04 2tbd n PHE 90 Ca 0.32 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.90 2tbd n PHE 90 Cb 0.64 0.00 -0.00 0.00 -1.61 0.00 0.00 39.48 38.51 2tbd n PHE 90 CO 0.00 0.00 0.00 0.45 -1.87 0.00 0.00 176.76 175.34 2tbd n SER 91 N 0.00 -3.92 -4.89 5.98 2.88 -1.26 -4.74 113.62 107.67 2tbd n SER 91 Ca 0.00 0.02 -0.26 0.00 -1.33 0.00 0.00 58.87 57.30 2tbd n SER 91 Cb 0.00 -0.05 0.07 0.00 -0.75 0.00 0.00 64.21 63.49 2tbd n SER 91 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 2tbd s PHE 92 N -0.03 2.81 -0.29 0.66 -0.12 -1.26 -5.01 117.98 114.75 2tbd s PHE 92 Ca 0.00 0.41 0.01 0.00 -0.05 0.00 0.00 56.93 57.30 2tbd s PHE 92 Cb 0.00 -3.23 0.18 0.00 -0.63 0.00 0.00 43.02 39.35 2tbd s PHE 92 CO 0.00 -1.47 0.56 -1.17 -0.05 0.00 0.00 175.22 173.09 2tbd s LEU 93 N -5.27 -1.34 -0.64 -1.99 1.98 -1.26 -4.62 118.68 105.54 2tbd s LEU 93 Ca 0.61 0.59 -0.01 0.00 -2.89 0.00 0.00 54.13 52.42 2tbd s LEU 93 Cb -0.10 1.97 0.16 0.00 0.66 0.00 0.00 46.19 48.88 2tbd s LEU 93 CO 0.45 -0.28 0.45 -0.63 -1.89 0.00 0.00 176.35 174.45 2tbd s ILE 94 N 2.80 3.54 -0.11 6.68 1.01 -0.51 -5.05 121.20 129.58 2tbd s ILE 94 Ca 0.17 -3.22 -0.18 0.00 0.00 0.00 0.00 60.65 57.42 2tbd s ILE 94 Cb -0.14 -3.32 -0.04 0.00 0.01 0.00 0.00 42.46 38.97 2tbd s ILE 94 CO -0.22 -0.90 0.47 0.00 0.00 0.00 0.00 174.94 174.29 2tbd s LYS 96 N 0.44 0.24 0.79 0.00 2.47 -1.04 -4.95 119.74 117.69 2tbd s LYS 96 Ca 0.25 0.71 -0.13 0.00 -1.56 0.00 0.00 55.97 55.24 2tbd s LYS 96 Cb -0.15 -0.02 0.20 0.00 -1.46 0.00 0.00 37.83 36.40 2tbd s LYS 96 CO 0.10 -0.21 0.46 0.41 0.16 0.00 0.00 175.35 176.28 2tbd n GLY 97 N 4.69 -3.79 3.26 5.54 0.00 -1.26 -1.47 105.19 112.16 2tbd n GLY 97 Ca -0.18 -1.23 -0.13 0.00 0.00 0.00 0.00 46.02 44.48 2tbd n GLY 97 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2tbd s VAL 98 N -1.58 -0.00 -0.23 1.61 1.01 -0.95 -3.97 120.40 116.28 2tbd s VAL 98 Ca 0.35 0.02 -0.19 0.00 0.00 0.00 0.00 61.98 62.16 2tbd s VAL 98 Cb -0.06 -0.53 -0.16 0.00 0.00 0.00 0.00 36.38 35.63 2tbd s VAL 98 CO 0.30 0.01 -0.00 0.59 0.00 0.00 0.00 175.10 175.99 2tbd n ASN 99 N 3.09 1.89 -4.42 3.32 5.03 -1.26 -4.55 115.26 118.36 2tbd n ASN 99 Ca -0.15 0.40 -0.45 0.00 0.87 0.00 0.00 54.58 55.26 2tbd n ASN 99 Cb 0.57 -0.91 -0.01 0.00 -1.02 0.00 0.00 39.78 38.41 2tbd n ASN 99 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 2tbd s LYS 100 N -2.42 3.92 0.05 3.52 -0.14 -1.26 -4.87 119.74 118.53 2tbd s LYS 100 Ca -0.32 -2.48 -0.34 0.00 -1.36 0.00 0.00 55.97 51.48 2tbd s LYS 100 Cb 0.09 -4.83 -0.19 0.00 -1.68 0.00 0.00 37.83 31.22 2tbd s LYS 100 CO 0.54 -1.59 1.42 1.49 -0.76 0.00 0.00 175.35 176.45 2tbd h GLU 101 N 7.58 -1.12 -0.98 1.68 4.57 -1.93 -1.63 114.58 122.75 2tbd h GLU 101 Ca 0.22 0.08 0.30 0.00 -1.18 0.00 0.00 59.36 58.77 2tbd h GLU 101 Cb 0.94 0.25 -0.18 0.00 -0.16 0.00 0.00 28.75 29.60 2tbd h GLU 101 CO 1.09 -0.74 0.15 -0.92 -1.18 0.00 0.00 179.01 177.41 2tbd h TYR 102 N -1.26 0.17 0.14 0.92 5.03 -2.00 -1.73 116.97 118.24 2tbd h TYR 102 Ca -0.12 0.06 -0.01 0.00 2.58 0.00 0.00 58.73 61.25 2tbd h TYR 102 Cb 0.89 0.09 0.00 0.00 1.55 0.00 0.00 36.73 39.26 2tbd h TYR 102 CO -0.00 -0.42 -0.07 -0.07 -1.32 0.00 0.00 178.16 176.28 2tbd h LEU 103 N 0.03 -0.16 -0.74 2.82 3.38 -1.92 -1.82 115.31 116.90 2tbd h LEU 103 Ca 0.64 0.01 0.24 0.00 0.09 0.00 0.00 57.88 58.86 2tbd h LEU 103 Cb 1.42 0.04 -0.14 0.00 0.09 0.00 0.00 40.66 42.08 2tbd h LEU 103 CO -0.87 -0.05 0.16 0.80 0.09 0.00 0.00 178.44 178.58 2tbd n MET 104 N -2.91 -0.05 -0.05 1.13 1.56 -0.63 0.18 117.12 116.34 2tbd n MET 104 Ca -0.02 1.08 -0.13 0.00 -0.27 0.00 0.00 57.70 58.36 2tbd n MET 104 Cb 0.08 -1.79 -0.07 0.00 2.15 0.00 0.00 33.22 33.58 2tbd n MET 104 CO 0.00 0.00 0.00 -0.92 -0.73 0.00 0.00 175.97 174.32 2tbd h TYR 105 N 0.00 0.40 0.54 1.12 5.03 -1.37 -1.49 116.97 121.20 2tbd h TYR 105 Ca 0.52 -0.12 -0.02 0.00 2.58 0.00 0.00 58.73 61.69 2tbd h TYR 105 Cb 1.20 -0.09 -0.02 0.00 1.55 0.00 0.00 36.73 39.38 2tbd h TYR 105 CO -0.24 0.73 -0.51 1.03 -1.32 0.00 0.00 178.16 177.85 2tbd h SER 106 N -0.04 -1.38 -0.11 -2.11 0.87 0.28 0.18 113.55 111.24 2tbd h SER 106 Ca 0.02 0.11 0.03 0.00 -1.23 0.00 0.00 61.79 60.72 2tbd h SER 106 Cb 0.66 0.45 -0.00 0.00 -0.44 0.00 0.00 62.40 63.07 2tbd h SER 106 CO 0.03 -0.68 0.15 0.00 -0.53 0.00 0.00 176.83 175.80 2tbd h ALA 107 N -0.94 1.64 -0.03 6.23 0.00 -1.18 0.82 119.26 125.81 2tbd h ALA 107 Ca -0.07 -0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.68 2tbd h ALA 107 Cb 0.89 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 2tbd h ALA 107 CO -0.04 -0.21 -0.69 -0.07 0.00 0.00 0.00 179.25 178.24 2tbd h LEU 108 N 0.00 0.15 -0.06 0.00 3.38 0.07 -3.00 115.31 115.85 2tbd h LEU 108 Ca 0.05 -0.10 -0.10 0.00 0.09 0.00 0.00 57.88 57.83 2tbd h LEU 108 Cb 0.35 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 2tbd h LEU 108 CO -0.00 0.79 -0.46 0.71 0.09 0.00 0.00 178.44 179.57 2tbd h THR 109 N 0.09 0.81 -3.16 0.22 1.35 0.94 -3.36 112.91 109.79 2tbd h THR 109 Ca -0.01 -2.10 -0.59 0.00 -0.55 0.00 0.00 66.41 63.16 2tbd h THR 109 Cb 1.22 2.37 -0.05 0.00 -1.73 0.00 0.00 68.15 69.95 2tbd h THR 109 CO 0.10 0.45 -0.12 -0.60 -0.25 0.00 0.00 175.52 175.10 2tbd s ARG 110 N -3.01 4.12 0.91 4.72 6.06 -0.86 -4.54 118.95 126.34 2tbd s ARG 110 Ca 0.04 0.56 -0.16 0.00 -2.50 0.00 0.00 55.73 53.67 2tbd s ARG 110 Cb 0.08 -3.27 -0.09 0.00 0.06 0.00 0.00 34.95 31.72 2tbd s ARG 110 CO 0.74 0.56 -0.29 -0.25 -2.50 0.00 0.00 175.30 173.56 2tbd n ASP 111 N 2.16 -4.28 0.00 -2.12 8.00 -1.26 -2.04 116.55 117.01 2tbd n ASP 111 Ca -0.11 0.31 0.03 0.00 0.71 0.00 0.00 54.79 55.73 2tbd n ASP 111 Cb 0.52 -0.93 0.17 0.00 -0.02 0.00 0.00 41.12 40.85 2tbd n ASP 111 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 2tbd n PRO 112 N 0.97 0.97 -2.69 -0.24 -0.04 -1.26 -5.00 135.00 127.71 2tbd n PRO 112 Ca 0.03 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.06 2tbd n PRO 112 Cb 0.54 -1.09 -0.03 0.00 -0.04 0.00 0.00 33.50 32.87 2tbd n PRO 112 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2tbd s PHE 113 N -2.00 2.57 -0.42 0.54 0.08 -0.87 -4.72 117.98 113.17 2tbd s PHE 113 Ca 0.09 -0.01 -0.22 0.00 0.12 0.00 0.00 56.93 56.91 2tbd s PHE 113 Cb 0.04 -4.39 0.02 0.00 -0.57 0.00 0.00 43.02 38.12 2tbd s PHE 113 CO 0.07 -1.68 0.70 0.45 -0.10 0.00 0.00 175.22 174.65 2tbd s SER 114 N 3.29 6.39 0.70 1.36 0.15 -0.64 -3.85 113.70 121.09 2tbd s SER 114 Ca 0.33 -0.12 -0.16 0.00 0.70 0.00 0.00 55.95 56.70 2tbd s SER 114 Cb -0.11 -2.35 -0.01 0.00 -1.71 0.00 0.00 66.02 61.84 2tbd s SER 114 CO 0.18 -0.79 0.87 0.52 1.20 0.00 0.00 173.24 175.22 2tbd n VAL 115 N 5.89 2.71 0.00 4.45 0.31 -1.26 -1.12 118.33 129.32 2tbd n VAL 115 Ca 0.00 -0.40 0.00 0.00 -0.01 0.00 0.00 64.34 63.93 2tbd n VAL 115 Cb 0.48 -1.02 0.00 0.00 -0.91 0.00 0.00 33.84 32.39 2tbd n VAL 115 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 2tbd n ILE 116 N -2.37 0.07 -4.24 2.52 5.41 -0.75 -4.75 119.36 115.24 2tbd n ILE 116 Ca 0.12 0.02 -0.18 0.00 1.00 0.00 0.00 62.75 63.72 2tbd n ILE 116 Cb 0.49 -1.00 -0.07 0.00 -0.71 0.00 0.00 39.64 38.36 2tbd n ILE 116 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 2tbd n GLU 117 N -2.56 0.41 -3.64 0.38 1.02 -1.00 -5.02 120.64 110.24 2tbd n GLU 117 Ca 0.00 -3.08 -0.03 0.00 -0.02 0.00 0.00 57.16 54.03 2tbd n GLU 117 Cb 0.00 2.57 -0.05 0.00 -0.02 0.00 0.00 31.44 33.94 2tbd n GLU 117 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 2tbd s GLU 118 N -3.22 0.12 -0.28 3.49 4.04 -1.26 -1.92 118.70 119.67 2tbd s GLU 118 Ca 0.36 0.05 0.12 0.00 0.04 0.00 0.00 54.97 55.54 2tbd s GLU 118 Cb 0.02 0.06 0.78 0.00 0.02 0.00 0.00 34.13 35.00 2tbd s GLU 118 CO 0.26 -0.03 1.77 0.43 -1.84 0.00 0.00 175.26 175.85 2tbd n SER 119 N 0.73 5.20 -4.35 0.83 7.64 -0.98 -4.93 113.62 117.76 2tbd n SER 119 Ca -0.03 -3.10 -0.25 0.00 1.01 0.00 0.00 58.87 56.50 2tbd n SER 119 Cb 0.58 -0.71 -0.12 0.00 -1.01 0.00 0.00 64.21 62.95 2tbd n SER 119 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2tbd s LEU 120 N -2.90 2.37 -1.27 -3.43 1.02 -1.26 -4.88 118.68 108.32 2tbd s LEU 120 Ca 0.55 -0.78 -0.18 0.00 0.02 0.00 0.00 54.13 53.73 2tbd s LEU 120 Cb 0.43 -0.99 0.07 0.00 0.02 0.00 0.00 46.19 45.72 2tbd s LEU 120 CO 0.14 0.07 1.70 -2.16 0.02 0.00 0.00 176.35 176.12 2tbd s PRO 121 N -2.33 3.96 0.00 1.29 0.04 -1.26 -3.51 135.00 133.20 2tbd s PRO 121 Ca 0.13 -1.96 0.00 0.00 0.04 0.00 0.00 61.00 59.21 2tbd s PRO 121 Cb -0.08 -5.50 0.00 0.00 0.04 0.00 0.00 34.50 28.95 2tbd s PRO 121 CO 0.06 -2.23 0.00 0.41 0.04 0.00 0.00 177.00 175.28 2tbd n GLY 122 N 5.45 1.08 3.39 0.56 0.00 -1.26 -4.81 105.19 109.60 2tbd n GLY 122 Ca 0.47 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.49 2tbd n GLY 122 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2tbd n GLY 123 N -0.88 2.18 3.33 -0.02 0.00 -1.23 -4.86 105.19 103.72 2tbd n GLY 123 Ca 0.00 -0.24 -0.10 0.00 0.00 0.00 0.00 46.02 45.68 2tbd n GLY 123 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2tbd s LEU 124 N 0.00 0.63 0.00 0.99 1.43 -1.26 -4.90 118.68 115.57 2tbd s LEU 124 Ca 0.00 -0.49 0.00 0.00 -1.03 0.00 0.00 54.13 52.61 2tbd s LEU 124 Cb 0.00 1.64 0.00 0.00 0.03 0.00 0.00 46.19 47.86 2tbd s LEU 124 CO 0.00 -0.87 0.00 1.17 0.23 0.00 0.00 176.35 176.88 2tbd n LYS 125 N -0.21 -0.76 0.16 1.70 3.00 -1.26 -4.96 118.16 115.83 2tbd n LYS 125 Ca -0.14 0.00 0.16 0.00 -0.00 0.00 0.00 58.31 58.34 2tbd n LYS 125 Cb 0.63 0.00 0.58 0.00 0.00 0.00 0.00 35.03 36.24 2tbd n LYS 125 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.40 178.45 2tbd h GLU 126 N 0.00 0.00 -1.10 1.64 -0.00 -2.00 0.50 114.58 113.62 2tbd h GLU 126 Ca 0.00 0.00 -0.27 0.00 -0.00 0.00 0.00 59.36 59.09 2tbd h GLU 126 Cb 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 28.75 28.60 2tbd h GLU 126 CO 0.00 0.00 0.34 -2.39 -0.00 0.00 0.00 179.01 176.96 2tbd n HIS 127 N -3.12 1.50 0.00 2.06 1.44 -1.26 -3.35 115.22 112.49 2tbd n HIS 127 Ca 0.06 -1.31 0.00 0.00 -2.01 0.00 0.00 57.72 54.45 2tbd n HIS 127 Cb 0.77 -0.66 0.00 0.00 0.12 0.00 0.00 29.99 30.22 2tbd n HIS 127 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 2tbd n ASP 128 N -0.18 0.00 0.00 4.39 9.92 0.17 -5.00 116.55 125.86 2tbd n ASP 128 Ca 0.29 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.55 2tbd n ASP 128 Cb 0.98 0.02 0.00 0.00 -0.64 0.00 0.00 41.12 41.48 2tbd n ASP 128 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 2tbd n PHE 129 N -1.62 0.00 -3.34 1.24 3.72 -1.10 -4.98 117.46 111.38 2tbd n PHE 129 Ca 0.00 0.00 0.02 0.00 -0.05 0.00 0.00 57.45 57.42 2tbd n PHE 129 Cb 0.00 -0.28 -0.02 0.00 -0.94 0.00 0.00 39.48 38.23 2tbd n PHE 129 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 2tbd s ASN 130 N -2.22 -1.27 0.71 4.37 3.84 -1.25 -5.12 114.94 114.00 2tbd s ASN 130 Ca 0.00 1.13 -0.11 0.00 0.21 0.00 0.00 52.86 54.09 2tbd s ASN 130 Cb 0.00 2.20 0.02 0.00 -0.55 0.00 0.00 41.25 42.92 2tbd s ASN 130 CO 0.00 -0.24 1.07 -2.16 -2.79 0.00 0.00 177.10 172.98 2tbd s PRO 131 N 2.87 2.78 0.27 0.43 0.04 -1.21 -4.78 135.00 135.40 2tbd s PRO 131 Ca 0.10 0.72 0.00 0.00 0.04 0.00 0.00 61.00 61.86 2tbd s PRO 131 Cb -0.14 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 32.41 2tbd s PRO 131 CO -0.20 -1.15 0.00 -1.91 0.04 0.00 0.00 177.00 173.78 2tbd n GLU 132 N -3.13 -5.58 0.00 4.56 4.07 -1.26 -4.85 120.64 114.45 2tbd n GLU 132 Ca 0.07 3.97 0.00 0.00 -0.06 0.00 0.00 57.16 61.14 2tbd n GLU 132 Cb 0.55 -4.30 0.00 0.00 -0.06 0.00 0.00 31.44 27.63 2tbd n GLU 132 CO 0.00 0.00 0.00 0.43 -0.06 0.00 0.00 177.13 177.50 2tbd n SER 133 N 1.48 -5.30 -0.15 4.31 7.64 -1.26 -5.24 113.62 115.10 2tbd n SER 133 Ca 0.00 0.00 0.02 0.00 1.01 0.00 0.00 58.87 59.90 2tbd n SER 133 Cb 0.00 0.00 0.02 0.00 -1.01 0.00 0.00 64.21 63.22 2tbd n SER 133 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83