#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2tbd h SER 2 N 0.00 0.35 -3.69 1.61 4.64 -2.09 -3.45 113.55 110.93 2tbd h SER 2 Ca 0.00 -0.27 -0.50 0.00 -0.47 0.00 0.00 61.79 60.55 2tbd h SER 2 Cb 0.00 -0.11 -0.03 0.00 -0.31 0.00 0.00 62.40 61.96 2tbd h SER 2 CO 0.00 1.06 0.07 -1.59 -0.87 0.00 0.00 176.83 175.50 2tbd s LYS 3 N -3.29 3.97 -0.42 4.77 -2.85 -1.26 -4.94 119.74 115.72 2tbd s LYS 3 Ca -0.04 0.62 -0.44 0.00 -1.00 0.00 0.00 55.97 55.10 2tbd s LYS 3 Cb 0.10 -2.46 -0.18 0.00 -2.06 0.00 0.00 37.83 33.23 2tbd s LYS 3 CO 0.84 0.17 1.67 1.55 0.10 0.00 0.00 175.35 179.68 2tbd n VAL 4 N -0.35 0.11 -1.45 1.79 3.14 -1.26 -4.66 118.33 115.65 2tbd n VAL 4 Ca 0.03 -0.02 -0.48 0.00 -2.96 0.00 0.00 64.34 60.91 2tbd n VAL 4 Cb 0.53 -0.76 -0.08 0.00 -1.06 0.00 0.00 33.84 32.46 2tbd n VAL 4 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 2tbd n GLU 5 N 4.63 0.80 -0.98 1.45 1.02 -1.26 -4.84 120.64 121.46 2tbd n GLU 5 Ca 0.30 0.17 -0.35 0.00 -0.02 0.00 0.00 57.16 57.26 2tbd n GLU 5 Cb 0.01 -2.36 0.07 0.00 -0.02 0.00 0.00 31.44 29.13 2tbd n GLU 5 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2tbd n ASP 6 N 10.64 -4.08 -4.71 1.62 8.00 -1.26 -4.86 116.55 121.90 2tbd n ASP 6 Ca 0.46 0.31 -0.42 0.00 0.71 0.00 0.00 54.79 55.85 2tbd n ASP 6 Cb 0.22 -0.96 -0.03 0.00 -0.02 0.00 0.00 41.12 40.33 2tbd n ASP 6 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 2tbd s PRO 7 N -2.53 4.48 0.00 -0.24 0.04 -1.26 -4.93 135.00 130.56 2tbd s PRO 7 Ca 0.49 1.55 0.26 0.00 0.04 0.00 0.00 61.00 63.35 2tbd s PRO 7 Cb -0.23 -3.44 0.72 0.00 0.04 0.00 0.00 34.50 31.59 2tbd s PRO 7 CO 0.74 -0.19 1.55 1.17 0.04 0.00 0.00 177.00 180.31 2tbd n LYS 8 N 4.18 1.20 -3.34 4.56 4.81 -1.26 -4.94 118.16 123.36 2tbd n LYS 8 Ca 0.08 -0.76 0.00 0.00 -0.87 0.00 0.00 58.31 56.75 2tbd n LYS 8 Cb 0.49 -1.48 0.00 0.00 0.02 0.00 0.00 35.03 34.05 2tbd n LYS 8 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 2tbd n ASP 9 N -0.23 0.00 -4.87 3.14 -0.08 -1.26 -5.06 116.55 108.19 2tbd n ASP 9 Ca 0.14 0.00 -0.31 0.00 -1.51 0.00 0.00 54.79 53.11 2tbd n ASP 9 Cb 0.38 0.00 0.02 0.00 2.34 0.00 0.00 41.12 43.86 2tbd n ASP 9 CO 0.00 0.00 0.00 -0.36 0.12 0.00 0.00 177.20 176.96 2tbd s PHE 10 N -3.00 3.50 0.44 -0.67 0.40 -1.26 -5.04 117.98 112.35 2tbd s PHE 10 Ca 0.00 1.22 -0.21 0.00 -0.60 0.00 0.00 56.93 57.34 2tbd s PHE 10 Cb 0.00 -2.84 -0.10 0.00 0.51 0.00 0.00 43.02 40.59 2tbd s PHE 10 CO 0.00 -0.88 0.97 -1.25 0.70 0.00 0.00 175.22 174.76 2tbd s PRO 11 N -5.22 4.14 0.54 0.24 0.04 -1.26 -4.91 135.00 128.57 2tbd s PRO 11 Ca 0.56 1.20 0.25 0.00 0.04 0.00 0.00 61.00 63.05 2tbd s PRO 11 Cb -0.11 -2.21 1.51 0.00 0.04 0.00 0.00 34.50 33.73 2tbd s PRO 11 CO 0.53 -0.11 2.15 0.77 0.04 0.00 0.00 177.00 180.38 2tbd h SER 12 N 1.92 0.00 0.00 6.66 0.02 -1.99 -1.65 113.55 118.52 2tbd h SER 12 Ca -0.49 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.46 2tbd h SER 12 Cb 1.19 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.73 2tbd h SER 12 CO 0.61 0.06 0.12 -0.33 -1.14 0.00 0.00 176.83 176.15 2tbd h GLU 13 N 0.00 0.00 0.00 3.45 5.08 -2.05 -1.90 114.58 119.16 2tbd h GLU 13 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2tbd h GLU 13 Cb 0.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.39 2tbd h GLU 13 CO 0.01 0.00 -0.02 1.28 -1.00 0.00 0.00 179.01 179.28 2tbd n LEU 14 N -2.29 0.00 0.33 1.33 4.32 -0.67 -4.66 117.00 115.36 2tbd n LEU 14 Ca -0.01 -0.35 0.16 0.00 -0.02 0.00 0.00 56.01 55.79 2tbd n LEU 14 Cb 0.15 0.00 0.87 0.00 -1.62 0.00 0.00 43.42 42.83 2tbd n LEU 14 CO 0.09 0.00 1.13 -0.07 -1.22 0.00 0.00 177.39 177.32 2tbd h LEU 15 N 0.00 0.00 0.00 2.23 3.38 -0.81 -2.97 115.31 117.14 2tbd h LEU 15 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2tbd h LEU 15 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2tbd h LEU 15 CO 0.00 0.00 0.00 -0.24 0.09 0.00 0.00 178.44 178.29 2tbd n SER 16 N -2.90 0.00 -3.85 -0.43 2.88 -1.26 -2.97 113.62 105.09 2tbd n SER 16 Ca -0.02 0.67 -0.42 0.00 -1.33 0.00 0.00 58.87 57.77 2tbd n SER 16 Cb 0.33 -0.17 0.00 0.00 -0.75 0.00 0.00 64.21 63.62 2tbd n SER 16 CO 0.00 0.00 0.00 2.22 -1.23 0.00 0.00 175.04 176.03 2tbd n PHE 17 N -1.36 3.33 -3.80 0.66 1.16 -1.12 -4.89 117.46 111.43 2tbd n PHE 17 Ca 0.00 -2.89 -0.16 0.00 -1.87 0.00 0.00 57.45 52.53 2tbd n PHE 17 Cb 0.00 -2.24 -0.16 0.00 -1.61 0.00 0.00 39.48 35.46 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 1.08 0.99 -0.73 5.98 1.43 -1.16 -4.39 118.68 121.89 2tbd s LEU 18 Ca 0.43 0.02 -0.27 0.00 -1.03 0.00 0.00 54.13 53.29 2tbd s LEU 18 Cb 0.11 -0.12 0.03 0.00 0.03 0.00 0.00 46.19 46.23 2tbd s LEU 18 CO -0.03 -0.14 1.29 -0.55 0.23 0.00 0.00 176.35 177.15 2tbd s SER 19 N 1.19 6.15 -0.66 2.29 0.15 -1.14 -4.78 113.70 116.90 2tbd s SER 19 Ca -0.08 -0.40 -0.25 0.00 0.70 0.00 0.00 55.95 55.92 2tbd s SER 19 Cb -0.13 -2.56 0.04 0.00 -1.71 0.00 0.00 66.02 61.67 2tbd s SER 19 CO -0.03 -1.83 1.12 -1.00 1.20 0.00 0.00 173.24 172.70 2tbd s HIS 20 N 5.78 2.53 -0.30 3.44 0.09 -1.26 -3.93 115.29 121.64 2tbd s HIS 20 Ca 0.36 -0.14 -0.19 0.00 -0.00 0.00 0.00 55.06 55.09 2tbd s HIS 20 Cb -0.08 -4.42 0.20 0.00 -0.00 0.00 0.00 32.58 28.28 2tbd s HIS 20 CO 0.16 -1.77 1.32 0.00 -0.00 0.00 0.00 174.74 174.45 2tbd s ALA 21 N 4.83 -2.52 -0.01 -1.40 0.00 -1.26 -5.03 121.76 116.37 2tbd s ALA 21 Ca 0.31 1.88 0.01 0.00 0.00 0.00 0.00 51.96 54.17 2tbd s ALA 21 Cb -0.11 -1.92 -0.02 0.00 0.00 0.00 0.00 23.12 21.07 2tbd s ALA 21 CO 0.16 -0.24 0.01 0.28 0.00 0.00 0.00 175.76 175.96 2tbd n VAL 22 N 2.60 0.09 -0.01 0.00 0.31 -1.26 -4.70 118.33 115.35 2tbd n VAL 22 Ca -0.15 -0.06 0.01 0.00 -0.01 0.00 0.00 64.34 64.13 2tbd n VAL 22 Cb 0.56 -0.84 0.02 0.00 -0.91 0.00 0.00 33.84 32.67 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 -2.01 0.06 -0.87 3.52 3.72 -1.26 -3.68 117.46 116.95 2tbd n PHE 23 Ca -0.02 -0.42 -0.34 0.00 -0.05 0.00 0.00 57.45 56.61 2tbd n PHE 23 Cb 0.50 -0.04 0.09 0.00 -0.94 0.00 0.00 39.48 39.09 2tbd n PHE 23 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 2tbd n SER 24 N -0.28 -3.59 0.05 4.37 3.41 -1.26 -4.89 113.62 111.43 2tbd n SER 24 Ca 0.02 0.22 0.03 0.00 -0.26 0.00 0.00 58.87 58.87 2tbd n SER 24 Cb 0.24 -0.99 -0.06 0.00 -0.26 0.00 0.00 64.21 63.14 2tbd n SER 24 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2tbd n ASN 25 N 0.65 0.86 -4.75 4.04 5.15 -1.26 -4.90 115.26 115.05 2tbd n ASN 25 Ca 0.03 0.37 -0.33 0.00 -0.60 0.00 0.00 54.58 54.05 2tbd n ASN 25 Cb 0.56 0.22 0.07 0.00 -0.53 0.00 0.00 39.78 40.10 2tbd n ASN 25 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 2tbd s ARG 26 N -3.03 2.49 -0.15 1.20 3.00 -1.26 -5.02 118.95 116.18 2tbd s ARG 26 Ca -0.02 1.45 -0.00 0.00 0.00 0.00 0.00 55.73 57.16 2tbd s ARG 26 Cb 0.09 -1.91 -0.01 0.00 0.00 0.00 0.00 34.95 33.12 2tbd s ARG 26 CO 0.81 -1.50 -0.13 0.95 0.00 0.00 0.00 175.30 175.42 2tbd s THR 27 N -2.35 2.90 0.29 0.02 -4.23 -1.26 -4.77 115.64 106.23 2tbd s THR 27 Ca 0.68 -0.70 0.06 0.00 -1.18 0.00 0.00 61.69 60.55 2tbd s THR 27 Cb -0.22 -2.23 -0.02 0.00 1.34 0.00 0.00 72.50 71.37 2tbd s THR 27 CO 0.45 0.51 0.40 -0.76 -0.54 0.00 0.00 174.62 174.68 2tbd s LEU 28 N 0.67 4.13 -0.01 4.79 1.02 -1.26 -4.82 118.68 123.20 2tbd s LEU 28 Ca -0.07 -0.07 0.04 0.00 0.02 0.00 0.00 54.13 54.05 2tbd s LEU 28 Cb -0.15 -2.78 -0.06 0.00 0.02 0.00 0.00 46.19 43.21 2tbd s LEU 28 CO 0.02 -0.24 0.08 0.00 0.02 0.00 0.00 176.35 176.24 2tbd n ALA 29 N -1.51 2.14 -2.58 4.21 0.00 -1.26 -3.05 120.51 118.47 2tbd n ALA 29 Ca -0.05 -0.10 -0.33 0.00 0.00 0.00 0.00 53.44 52.96 2tbd n ALA 29 Cb 0.58 -0.13 -0.11 0.00 0.00 0.00 0.00 19.45 19.79 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 -0.89 0.15 -0.31 0.00 0.40 -1.01 -2.27 117.98 114.04 2tbd s PHE 31 Ca 0.15 -0.30 -0.05 0.00 -0.60 0.00 0.00 56.93 56.13 2tbd s PHE 31 Cb -0.11 -0.11 0.03 0.00 0.51 0.00 0.00 43.02 43.35 2tbd s PHE 31 CO 0.04 -0.11 0.06 0.00 0.70 0.00 0.00 175.22 175.91 2tbd s ALA 32 N -0.84 2.96 -0.09 5.36 0.00 0.02 -2.61 121.76 126.56 2tbd s ALA 32 Ca -0.09 -1.67 -0.16 0.00 0.00 0.00 0.00 51.96 50.04 2tbd s ALA 32 Cb -0.06 -2.11 -0.05 0.00 0.00 0.00 0.00 23.12 20.90 2tbd s ALA 32 CO -0.01 -1.19 0.42 0.42 0.00 0.00 0.00 175.76 175.41 2tbd s ILE 33 N 1.38 5.16 -0.31 0.00 1.01 -0.35 -1.89 121.20 126.20 2tbd s ILE 33 Ca -0.02 0.85 0.03 0.00 0.00 0.00 0.00 60.65 61.52 2tbd s ILE 33 Cb -0.19 -3.75 0.09 0.00 0.01 0.00 0.00 42.46 38.61 2tbd s ILE 33 CO 0.01 0.41 -0.00 -0.47 0.00 0.00 0.00 174.94 174.89 2tbd s TYR 34 N 0.08 3.51 0.28 3.97 5.04 -0.43 0.95 117.35 130.75 2tbd s TYR 34 Ca 0.24 -2.72 0.02 0.00 -2.44 0.00 0.00 57.07 52.17 2tbd s TYR 34 Cb -0.15 -2.53 -0.03 0.00 0.35 0.00 0.00 41.96 39.60 2tbd s TYR 34 CO 0.10 -0.92 0.25 0.95 -1.34 0.00 0.00 175.55 174.60 2tbd s THR 35 N 1.00 0.00 0.67 4.34 -4.23 -0.97 -0.75 115.64 115.70 2tbd s THR 35 Ca 0.04 -1.93 -0.15 0.00 -1.18 0.00 0.00 61.69 58.47 2tbd s THR 35 Cb -0.19 -2.50 0.01 0.00 1.34 0.00 0.00 72.50 71.15 2tbd s THR 35 CO -0.07 0.00 1.14 0.42 -0.54 0.00 0.00 174.62 175.57 2tbd s THR 36 N -3.69 2.94 0.24 3.99 -4.23 -1.26 -2.06 115.64 111.57 2tbd s THR 36 Ca 0.38 0.46 -0.09 0.00 -1.18 0.00 0.00 61.69 61.26 2tbd s THR 36 Cb 0.04 -3.00 0.27 0.00 1.34 0.00 0.00 72.50 71.15 2tbd s THR 36 CO 0.20 -0.25 1.63 0.07 -0.54 0.00 0.00 174.62 175.73 2tbd h LYS 37 N 0.02 0.07 -0.76 3.99 2.10 -1.87 0.23 116.57 120.35 2tbd h LYS 37 Ca -0.47 -0.00 0.08 0.00 -2.00 0.00 0.00 60.65 58.25 2tbd h LYS 37 Cb 1.26 -0.02 -0.05 0.00 -0.90 0.00 0.00 32.23 32.53 2tbd h LYS 37 CO 0.53 0.05 0.50 1.49 -2.00 0.00 0.00 179.45 180.02 2tbd h GLU 38 N 0.08 0.74 0.12 0.07 4.81 -1.99 -1.93 114.58 116.47 2tbd h GLU 38 Ca 0.39 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.57 2tbd h GLU 38 Cb 0.66 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.87 2tbd h GLU 38 CO -0.67 0.49 -0.06 -0.22 -0.73 0.00 0.00 179.01 177.82 2tbd h LYS 39 N 0.76 -0.16 -0.83 1.92 3.64 -0.89 -3.22 116.57 117.80 2tbd h LYS 39 Ca 0.34 0.01 0.19 0.00 -1.27 0.00 0.00 60.65 59.92 2tbd h LYS 39 Cb 0.33 0.04 -0.15 0.00 -0.41 0.00 0.00 32.23 32.04 2tbd h LYS 39 CO -0.12 -0.11 -0.03 0.00 -2.27 0.00 0.00 179.45 176.93 2tbd h ALA 40 N -1.84 0.83 -0.69 5.00 0.00 -1.42 -1.06 119.26 120.08 2tbd h ALA 40 Ca -0.02 0.28 0.07 0.00 0.00 0.00 0.00 54.91 55.24 2tbd h ALA 40 Cb 0.13 0.50 -0.10 0.00 0.00 0.00 0.00 17.79 18.32 2tbd h ALA 40 CO 0.03 -0.45 -0.55 0.00 0.00 0.00 0.00 179.25 178.28 2tbd h ALA 41 N 1.80 -0.64 0.00 0.00 0.00 -1.41 0.61 119.26 119.62 2tbd h ALA 41 Ca 0.45 0.06 -0.05 0.00 0.00 0.00 0.00 54.91 55.38 2tbd h ALA 41 Cb 0.82 1.25 -0.01 0.00 0.00 0.00 0.00 17.79 19.85 2tbd h ALA 41 CO -0.76 -0.97 -0.22 1.37 0.00 0.00 0.00 179.25 178.67 2tbd h LEU 42 N -0.18 0.00 -0.66 0.00 8.10 -1.25 -1.39 115.31 119.93 2tbd h LEU 42 Ca 0.11 0.00 0.00 0.00 0.11 0.00 0.00 57.88 58.10 2tbd h LEU 42 Cb 0.47 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.69 2tbd h LEU 42 CO -0.74 0.22 0.00 0.18 -4.11 0.00 0.00 178.44 173.98 2tbd n LEU 43 N -3.92 0.67 0.03 0.17 7.99 0.19 -1.91 117.00 120.23 2tbd n LEU 43 Ca -0.02 0.66 -0.03 0.00 -0.01 0.00 0.00 56.01 56.61 2tbd n LEU 43 Cb 0.30 -0.56 -0.01 0.00 -0.11 0.00 0.00 43.42 43.04 2tbd n LEU 43 CO 0.34 -0.54 0.08 0.22 -1.51 0.00 0.00 177.39 175.98 2tbd h TYR 44 N 0.00 -0.17 0.00 -1.77 5.03 0.28 -1.16 116.97 119.18 2tbd h TYR 44 Ca 0.00 -0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.31 2tbd h TYR 44 Cb 0.38 0.06 0.00 0.00 1.55 0.00 0.00 36.73 38.72 2tbd h TYR 44 CO 0.00 -0.11 0.00 1.63 -1.32 0.00 0.00 178.16 178.36 2tbd n LYS 45 N -4.63 0.18 -0.08 1.82 5.02 -1.22 -2.06 118.16 117.19 2tbd n LYS 45 Ca -0.02 0.38 -0.12 0.00 -2.02 0.00 0.00 58.31 56.54 2tbd n LYS 45 Cb 0.07 -1.83 -0.06 0.00 -0.02 0.00 0.00 35.03 33.20 2tbd n LYS 45 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2tbd n LYS 46 N -2.16 0.50 0.30 1.97 4.76 -0.80 -4.16 118.16 118.56 2tbd n LYS 46 Ca 0.03 0.55 0.15 0.00 -2.87 0.00 0.00 58.31 56.16 2tbd n LYS 46 Cb 0.24 -1.71 0.91 0.00 -1.84 0.00 0.00 35.03 32.63 2tbd n LYS 46 CO 0.00 0.00 0.00 0.82 -1.37 0.00 0.00 177.40 176.85 2tbd h ILE 47 N -1.00 0.50 0.00 -0.18 1.08 -1.25 -1.78 117.51 114.89 2tbd h ILE 47 Ca -0.14 -0.06 0.00 0.00 -0.39 0.00 0.00 64.86 64.26 2tbd h ILE 47 Cb 0.83 1.04 0.00 0.00 -3.07 0.00 0.00 36.82 35.62 2tbd h ILE 47 CO -0.09 0.01 0.01 0.23 -0.69 0.00 0.00 178.15 177.62 2tbd n MET 48 N -3.78 0.02 0.01 2.37 2.81 -0.87 -2.38 117.12 115.30 2tbd n MET 48 Ca -0.03 0.52 -0.03 0.00 -1.81 0.00 0.00 57.70 56.35 2tbd n MET 48 Cb 0.10 -1.58 -0.01 0.00 -0.71 0.00 0.00 33.22 31.02 2tbd n MET 48 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 2tbd n GLU 49 N -1.62 0.08 0.30 0.03 1.02 -0.67 -3.25 120.64 116.53 2tbd n GLU 49 Ca -0.00 0.04 0.16 0.00 -0.02 0.00 0.00 57.16 57.34 2tbd n GLU 49 Cb 0.01 -0.65 0.82 0.00 -0.02 0.00 0.00 31.44 31.61 2tbd n GLU 49 CO 0.00 0.00 0.00 1.57 1.18 0.00 0.00 177.13 179.88 2tbd h LYS 50 N -0.15 0.00 0.00 3.49 -0.00 -1.58 -2.91 116.57 115.43 2tbd h LYS 50 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.61 2tbd h LYS 50 Cb 0.54 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 32.77 2tbd h LYS 50 CO -0.03 0.00 0.00 0.66 -0.00 0.00 0.00 179.45 180.08 2tbd n TYR 51 N -3.04 0.00 -4.10 0.07 4.02 -1.00 -5.02 117.16 108.09 2tbd n TYR 51 Ca -0.01 0.00 -0.31 0.00 -0.01 0.00 0.00 57.90 57.57 2tbd n TYR 51 Cb 0.40 0.01 -0.04 0.00 -0.02 0.00 0.00 39.34 39.68 2tbd n TYR 51 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 2tbd n SER 52 N 0.00 -0.77 -4.02 7.72 2.88 -1.10 -4.27 113.62 114.07 2tbd n SER 52 Ca 0.00 -1.17 -0.57 0.00 -1.33 0.00 0.00 58.87 55.80 2tbd n SER 52 Cb 0.32 -2.26 -0.08 0.00 -0.75 0.00 0.00 64.21 61.43 2tbd n SER 52 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 2tbd n VAL 53 N -4.56 0.00 0.29 2.46 0.24 -1.24 -4.66 118.33 110.86 2tbd n VAL 53 Ca -0.27 0.00 0.15 0.00 -2.04 0.00 0.00 64.34 62.18 2tbd n VAL 53 Cb 0.67 -0.42 0.88 0.00 -1.47 0.00 0.00 33.84 33.49 2tbd n VAL 53 CO 0.00 0.00 0.00 0.74 -2.14 0.00 0.00 176.83 175.43 2tbd h THR 54 N 4.25 0.45 -1.69 3.34 2.02 -1.81 -3.43 112.91 116.04 2tbd h THR 54 Ca -0.37 -0.23 0.04 0.00 0.77 0.00 0.00 66.41 66.62 2tbd h THR 54 Cb 1.16 1.16 -0.25 0.00 -1.74 0.00 0.00 68.15 68.47 2tbd h THR 54 CO 0.83 0.05 0.37 0.12 0.37 0.00 0.00 175.52 177.26 2tbd s PHE 55 N -4.36 -0.57 -0.14 3.16 5.36 -1.26 -4.86 117.98 115.31 2tbd s PHE 55 Ca -0.04 1.34 -0.06 0.00 -0.96 0.00 0.00 56.93 57.21 2tbd s PHE 55 Cb 0.14 0.35 0.06 0.00 -0.34 0.00 0.00 43.02 43.23 2tbd s PHE 55 CO 0.54 -0.27 0.31 -1.50 -1.46 0.00 0.00 175.22 172.84 2tbd s ILE 56 N 0.41 -0.25 -0.05 3.12 2.07 -1.26 -1.48 121.20 123.77 2tbd s ILE 56 Ca 0.01 0.18 0.03 0.00 -1.41 0.00 0.00 60.65 59.46 2tbd s ILE 56 Cb -0.05 -0.49 0.00 0.00 0.13 0.00 0.00 42.46 42.05 2tbd s ILE 56 CO -0.06 0.08 -0.15 -0.55 -1.91 0.00 0.00 174.94 172.35 2tbd s SER 57 N 1.86 1.95 -0.44 4.50 0.15 -0.28 -2.59 113.70 118.84 2tbd s SER 57 Ca -0.05 -0.32 -0.19 0.00 0.70 0.00 0.00 55.95 56.09 2tbd s SER 57 Cb -0.11 -0.72 0.03 0.00 -1.71 0.00 0.00 66.02 63.52 2tbd s SER 57 CO -0.10 0.09 0.55 -0.13 1.20 0.00 0.00 173.24 174.85 2tbd s ARG 58 N 0.34 3.17 0.54 5.44 0.52 -0.46 -1.53 118.95 126.97 2tbd s ARG 58 Ca -0.09 -0.64 0.06 0.00 -0.52 0.00 0.00 55.73 54.53 2tbd s ARG 58 Cb -0.13 -3.99 0.04 0.00 0.52 0.00 0.00 34.95 31.39 2tbd s ARG 58 CO 0.03 -0.98 0.42 -1.01 0.02 0.00 0.00 175.30 173.78 2tbd s HIS 59 N 2.47 1.62 0.14 -0.53 3.76 -1.05 -1.48 115.29 120.21 2tbd s HIS 59 Ca 0.16 -0.83 0.09 0.00 -0.15 0.00 0.00 55.06 54.33 2tbd s HIS 59 Cb -0.16 -1.93 -0.04 0.00 1.11 0.00 0.00 32.58 31.56 2tbd s HIS 59 CO 0.15 -0.51 -0.21 -0.80 -0.85 0.00 0.00 174.74 172.52 2tbd s ASN 60 N -4.30 2.80 0.00 1.40 0.01 -0.99 -1.11 114.94 112.75 2tbd s ASN 60 Ca 0.35 -0.78 0.00 0.00 -0.71 0.00 0.00 52.86 51.72 2tbd s ASN 60 Cb -0.02 -0.17 0.00 0.00 0.41 0.00 0.00 41.25 41.47 2tbd s ASN 60 CO 0.22 0.05 0.00 -0.24 -1.51 0.00 0.00 177.10 175.62 2tbd n SER 61 N 0.68 0.00 -0.03 -1.22 2.88 -1.16 -1.69 113.62 113.08 2tbd n SER 61 Ca -0.16 0.00 -0.04 0.00 -1.33 0.00 0.00 58.87 57.34 2tbd n SER 61 Cb 0.55 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 64.00 2tbd n SER 61 CO 0.00 0.00 0.00 -1.22 -1.23 0.00 0.00 175.04 172.59 2tbd n TYR 62 N -0.52 0.00 -2.25 0.66 4.01 -1.26 -4.76 117.16 113.04 2tbd n TYR 62 Ca 0.00 0.00 0.02 0.00 -0.16 0.00 0.00 57.90 57.76 2tbd n TYR 62 Cb 0.00 -0.21 0.01 0.00 -0.31 0.00 0.00 39.34 38.83 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 -3.39 0.45 0.00 7.72 3.02 -1.26 -5.10 115.26 116.71 2tbd n ASN 63 Ca -0.06 -1.96 0.00 0.00 -0.03 0.00 0.00 54.58 52.53 2tbd n ASN 63 Cb 0.22 -0.22 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 0.25 0.00 -4.29 3.10 8.25 -1.26 -4.84 115.22 116.44 2tbd n HIS 64 Ca 0.02 0.00 -0.18 0.00 -0.26 0.00 0.00 57.72 57.30 2tbd n HIS 64 Cb 0.92 0.00 -0.13 0.00 1.12 0.00 0.00 29.99 31.90 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 1.69 1.28 -0.52 0.41 -0.87 -0.88 -2.99 114.94 113.07 2tbd s ASN 65 Ca 0.00 -0.37 -0.17 0.00 -1.57 0.00 0.00 52.86 50.75 2tbd s ASN 65 Cb 0.00 -0.08 0.10 0.00 -0.02 0.00 0.00 41.25 41.25 2tbd s ASN 65 CO 0.00 0.01 0.50 -0.63 -2.57 0.00 0.00 177.10 174.41 2tbd s ILE 66 N -0.73 5.13 -0.90 0.60 -1.09 -0.27 -2.29 121.20 121.66 2tbd s ILE 66 Ca -0.00 -1.16 -0.25 0.00 -2.23 0.00 0.00 60.65 57.01 2tbd s ILE 66 Cb -0.07 -4.28 0.03 0.00 -1.58 0.00 0.00 42.46 36.57 2tbd s ILE 66 CO 0.01 -0.79 1.43 -0.22 -1.23 0.00 0.00 174.94 174.14 2tbd s LEU 67 N 1.87 3.35 0.16 2.97 2.96 0.27 -2.54 118.68 127.71 2tbd s LEU 67 Ca 0.06 -0.98 -0.30 0.00 -0.22 0.00 0.00 54.13 52.69 2tbd s LEU 67 Cb -0.26 -2.56 -0.07 0.00 0.50 0.00 0.00 46.19 43.80 2tbd s LEU 67 CO 0.06 -1.73 0.99 0.12 -1.32 0.00 0.00 176.35 174.46 2tbd s PHE 68 N 5.69 3.81 -0.28 5.38 5.36 -0.58 -1.21 117.98 136.15 2tbd s PHE 68 Ca 0.44 1.79 -0.20 0.00 -0.96 0.00 0.00 56.93 58.00 2tbd s PHE 68 Cb -0.04 -3.09 0.08 0.00 -0.34 0.00 0.00 43.02 39.64 2tbd s PHE 68 CO 0.01 0.09 0.75 -0.59 -1.46 0.00 0.00 175.22 174.01 2tbd s PHE 69 N -0.35 -0.88 0.63 10.12 -0.71 -1.07 -1.13 117.98 124.58 2tbd s PHE 69 Ca 0.46 1.92 0.05 0.00 -1.04 0.00 0.00 56.93 58.32 2tbd s PHE 69 Cb -0.25 0.46 0.10 0.00 -1.21 0.00 0.00 43.02 42.12 2tbd s PHE 69 CO 0.32 -0.43 0.87 -0.51 -1.34 0.00 0.00 175.22 174.13 2tbd s LEU 70 N 1.03 3.07 -0.29 -1.99 1.43 -0.55 -2.40 118.68 118.98 2tbd s LEU 70 Ca -0.05 -0.63 0.05 0.00 -1.03 0.00 0.00 54.13 52.47 2tbd s LEU 70 Cb -0.05 -1.81 0.20 0.00 0.03 0.00 0.00 46.19 44.56 2tbd s LEU 70 CO -0.11 -1.55 0.60 0.42 0.23 0.00 0.00 176.35 175.94 2tbd s THR 71 N -2.86 -0.98 -1.10 5.49 -4.23 -0.12 -3.73 115.64 108.11 2tbd s THR 71 Ca 0.64 0.00 -0.22 0.00 -1.18 0.00 0.00 61.69 60.93 2tbd s THR 71 Cb -0.06 -0.98 0.05 0.00 1.34 0.00 0.00 72.50 72.85 2tbd s THR 71 CO 0.41 0.00 1.57 -2.16 -0.54 0.00 0.00 174.62 173.90 2tbd s PRO 72 N 2.84 3.62 0.00 3.99 0.04 -1.26 -4.13 135.00 140.10 2tbd s PRO 72 Ca 0.12 -1.33 0.00 0.00 0.04 0.00 0.00 61.00 59.83 2tbd s PRO 72 Cb -0.10 -5.39 0.00 0.00 0.04 0.00 0.00 34.50 29.05 2tbd s PRO 72 CO -0.25 -2.34 0.00 -2.39 0.04 0.00 0.00 177.00 172.06 2tbd n HIS 73 N 9.18 0.00 -2.06 0.56 1.44 -1.26 -5.06 115.22 118.02 2tbd n HIS 73 Ca 0.38 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 56.09 2tbd n HIS 73 Cb 0.49 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.60 2tbd n HIS 73 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 2tbd n ARG 74 N 0.00 -4.21 0.00 -1.40 5.12 -1.26 -5.05 116.66 109.86 2tbd n ARG 74 Ca 0.00 2.99 0.00 0.00 -1.93 0.00 0.00 57.85 58.91 2tbd n ARG 74 Cb 0.00 -3.50 0.00 0.00 -1.16 0.00 0.00 32.46 27.80 2tbd n ARG 74 CO 0.00 0.00 0.00 0.72 -1.93 0.00 0.00 177.63 176.42 2tbd n HIS 75 N 1.88 -0.00 0.00 -1.55 8.25 -1.17 -5.04 115.22 117.58 2tbd n HIS 75 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2tbd n HIS 75 Cb 0.00 0.04 0.00 0.00 1.12 0.00 0.00 29.99 31.15 2tbd n HIS 75 CO 0.00 0.00 0.00 -2.13 0.64 0.00 0.00 176.34 174.85 2tbd n ARG 76 N -1.13 0.00 0.24 -0.41 0.63 -1.22 -4.70 116.66 110.08 2tbd n ARG 76 Ca 0.00 0.00 0.15 0.00 -0.92 0.00 0.00 57.85 57.08 2tbd n ARG 76 Cb 0.00 0.00 0.66 0.00 0.45 0.00 0.00 32.46 33.57 2tbd n ARG 76 CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 2tbd h VAL 77 N 0.00 0.09 -0.00 5.15 2.07 -1.86 0.88 116.25 122.57 2tbd h VAL 77 Ca 0.00 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.52 2tbd h VAL 77 Cb 0.00 0.52 -0.00 0.00 -1.52 0.00 0.00 31.29 30.29 2tbd h VAL 77 CO 0.00 0.00 -0.01 -1.28 0.02 0.00 0.00 177.57 176.30 2tbd h SER 78 N 0.00 0.01 -0.12 0.57 0.87 -1.87 0.68 113.55 113.69 2tbd h SER 78 Ca 0.08 -0.53 -0.00 0.00 -1.23 0.00 0.00 61.79 60.10 2tbd h SER 78 Cb 1.11 -0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.06 2tbd h SER 78 CO -0.00 0.54 0.06 0.00 -0.53 0.00 0.00 176.83 176.90 2tbd h ALA 79 N 0.47 0.15 -0.00 6.23 0.00 -1.13 -1.23 119.26 123.75 2tbd h ALA 79 Ca 0.00 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 2tbd h ALA 79 Cb 0.54 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 2tbd h ALA 79 CO 0.00 -0.30 -0.17 0.82 0.00 0.00 0.00 179.25 179.59 2tbd h ILE 80 N 0.08 1.13 -0.55 0.00 1.08 -1.50 -1.99 117.51 115.77 2tbd h ILE 80 Ca 0.04 -0.61 -0.08 0.00 -0.39 0.00 0.00 64.86 63.83 2tbd h ILE 80 Cb 0.09 1.32 -0.02 0.00 -3.07 0.00 0.00 36.82 35.14 2tbd h ILE 80 CO -0.01 0.17 0.05 -1.13 -0.69 0.00 0.00 178.15 176.55 2tbd h ASN 81 N 0.01 0.92 -0.11 1.72 -0.00 -0.02 -1.00 115.58 117.08 2tbd h ASN 81 Ca -0.00 -0.28 0.03 0.00 -0.00 0.00 0.00 56.30 56.05 2tbd h ASN 81 Cb 0.31 -0.25 -0.00 0.00 -0.00 0.00 0.00 38.32 38.38 2tbd h ASN 81 CO 0.02 0.97 0.12 -1.13 -0.00 0.00 0.00 177.43 177.41 2tbd h ASN 82 N 0.83 0.00 0.00 1.15 -0.73 -0.46 -0.98 115.58 115.39 2tbd h ASN 82 Ca 0.16 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.33 2tbd h ASN 82 Cb 0.47 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.06 2tbd h ASN 82 CO 0.02 0.00 0.00 0.00 -0.37 0.00 0.00 177.43 177.08 2tbd n TYR 83 N -3.92 0.00 -0.34 0.67 9.36 -0.74 -3.48 117.16 118.71 2tbd n TYR 83 Ca -0.00 0.00 0.32 0.00 3.32 0.00 0.00 57.90 61.54 2tbd n TYR 83 Cb 0.23 -0.14 0.59 0.00 -0.63 0.00 0.00 39.34 39.38 2tbd n TYR 83 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2tbd h ALA 84 N -2.00 2.24 -0.22 2.98 0.00 -1.28 0.65 119.26 121.63 2tbd h ALA 84 Ca 0.00 0.24 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 2tbd h ALA 84 Cb 0.00 0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 2tbd h ALA 84 CO 0.00 -0.98 0.08 0.37 0.00 0.00 0.00 179.25 178.71 2tbd h GLN 85 N 0.05 0.33 0.00 0.00 -0.00 -1.37 -1.63 115.11 112.50 2tbd h GLN 85 Ca 0.84 -0.07 0.00 0.00 -0.00 0.00 0.00 58.65 59.42 2tbd h GLN 85 Cb 2.24 -0.05 0.00 0.00 0.00 0.00 0.00 27.48 29.67 2tbd h GLN 85 CO -0.70 0.41 0.36 0.87 0.00 0.00 0.00 178.83 179.78 2tbd h LYS 86 N 0.19 0.00 -1.59 1.69 1.57 0.28 -0.67 116.57 118.03 2tbd h LYS 86 Ca 0.07 0.00 -0.40 0.00 -1.87 0.00 0.00 60.65 58.45 2tbd h LYS 86 Cb 0.21 0.00 -0.16 0.00 0.08 0.00 0.00 32.23 32.36 2tbd h LYS 86 CO -0.00 0.00 0.46 1.28 -0.57 0.00 0.00 179.45 180.61 2tbd n LEU 87 N -2.87 6.59 -1.48 2.94 4.77 -0.61 -4.29 117.00 122.05 2tbd n LEU 87 Ca -0.02 -3.58 -0.08 0.00 -0.03 0.00 0.00 56.01 52.30 2tbd n LEU 87 Cb 0.41 -1.09 0.10 0.00 -2.33 0.00 0.00 43.42 40.50 2tbd n LEU 87 CO 0.13 1.37 0.23 0.00 -1.33 0.00 0.00 177.39 177.79 2tbd n THR 89 N -0.78 1.88 0.00 0.00 -2.24 -1.26 -4.54 114.28 107.35 2tbd n THR 89 Ca 0.28 -1.35 0.00 0.00 -2.27 0.00 0.00 64.05 60.71 2tbd n THR 89 Cb 0.86 0.07 0.00 0.00 -2.10 0.00 0.00 70.33 69.15 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 0.59 0.00 -2.83 4.78 -1.74 -1.26 -5.14 117.46 111.85 2tbd n PHE 90 Ca 0.22 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 57.11 2tbd n PHE 90 Cb 0.84 0.23 0.00 0.00 1.52 0.00 0.00 39.48 42.07 2tbd n PHE 90 CO 0.00 0.00 0.00 0.43 -0.56 0.00 0.00 176.76 176.63 2tbd n SER 91 N -2.42 0.00 -4.93 5.98 7.64 -1.26 -5.16 113.62 113.47 2tbd n SER 91 Ca 0.00 0.00 -0.25 0.00 1.01 0.00 0.00 58.87 59.63 2tbd n SER 91 Cb 0.17 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.38 2tbd n SER 91 CO 0.00 0.00 0.00 0.72 -3.01 0.00 0.00 175.04 172.75 2tbd s PHE 92 N -0.95 3.36 -0.10 1.43 -0.12 -1.26 -4.71 117.98 115.63 2tbd s PHE 92 Ca 0.00 0.50 -0.07 0.00 -0.05 0.00 0.00 56.93 57.31 2tbd s PHE 92 Cb 0.00 -2.36 0.03 0.00 -0.63 0.00 0.00 43.02 40.06 2tbd s PHE 92 CO 0.00 -0.39 0.25 -1.17 -0.05 0.00 0.00 175.22 173.86 2tbd s LEU 93 N -4.68 0.79 -0.47 -1.99 0.20 -1.26 -4.06 118.68 107.20 2tbd s LEU 93 Ca 0.48 0.51 0.06 0.00 0.69 0.00 0.00 54.13 55.87 2tbd s LEU 93 Cb -0.10 0.80 0.21 0.00 -0.43 0.00 0.00 46.19 46.66 2tbd s LEU 93 CO 0.41 -0.12 0.47 -0.38 -0.29 0.00 0.00 176.35 176.44 2tbd n ILE 94 N 3.49 -0.22 -2.98 6.68 5.41 0.07 -5.01 119.36 126.80 2tbd n ILE 94 Ca -0.18 -4.03 -0.34 0.00 1.00 0.00 0.00 62.75 59.19 2tbd n ILE 94 Cb 0.56 -1.88 -0.06 0.00 -0.71 0.00 0.00 39.64 37.54 2tbd n ILE 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2tbd s LYS 96 N -2.69 1.68 0.56 0.00 2.20 -0.79 -4.92 119.74 115.79 2tbd s LYS 96 Ca 0.54 -1.23 0.02 0.00 -0.36 0.00 0.00 55.97 54.93 2tbd s LYS 96 Cb -0.13 0.51 0.04 0.00 -1.51 0.00 0.00 37.83 36.75 2tbd s LYS 96 CO 0.18 -0.73 0.78 0.20 -0.36 0.00 0.00 175.35 175.42 2tbd s GLY 97 N -3.01 1.83 -0.05 5.54 0.00 -1.25 -0.80 107.32 109.57 2tbd s GLY 97 Ca 0.20 -1.38 -0.01 0.00 0.00 0.00 0.00 44.72 43.53 2tbd s GLY 97 CO 0.09 -1.08 0.03 0.14 0.00 0.00 0.00 173.10 172.29 2tbd s VAL 98 N -2.77 0.11 -0.10 1.40 1.01 -0.96 -2.89 120.40 116.19 2tbd s VAL 98 Ca 0.58 0.27 -0.26 0.00 0.00 0.00 0.00 61.98 62.56 2tbd s VAL 98 Cb -0.10 -0.31 -0.28 0.00 0.00 0.00 0.00 36.38 35.70 2tbd s VAL 98 CO 0.39 0.20 0.83 -1.13 0.00 0.00 0.00 175.10 175.39 2tbd h ASN 99 N 8.21 0.18 -3.18 3.32 -0.73 -1.87 -3.41 115.58 118.10 2tbd h ASN 99 Ca -0.20 -0.97 -0.75 0.00 1.87 0.00 0.00 56.30 56.26 2tbd h ASN 99 Cb 1.12 -0.06 -0.23 0.00 0.27 0.00 0.00 38.32 39.42 2tbd h ASN 99 CO 0.24 1.13 -0.27 -0.75 -0.37 0.00 0.00 177.43 177.42 2tbd s LYS 100 N -2.37 2.98 0.00 6.67 2.47 -1.26 -4.98 119.74 123.26 2tbd s LYS 100 Ca -0.17 -1.56 0.00 0.00 -1.56 0.00 0.00 55.97 52.68 2tbd s LYS 100 Cb -0.01 -4.23 0.00 0.00 -1.46 0.00 0.00 37.83 32.13 2tbd s LYS 100 CO 0.74 -1.20 0.30 0.39 0.16 0.00 0.00 175.35 175.74 2tbd n GLU 101 N 5.23 0.00 -0.43 4.03 -0.58 -1.26 -2.25 120.64 125.37 2tbd n GLU 101 Ca -0.13 0.11 0.35 0.00 -0.42 0.00 0.00 57.16 57.07 2tbd n GLU 101 Cb 0.42 -0.86 0.64 0.00 -0.57 0.00 0.00 31.44 31.07 2tbd n GLU 101 CO 0.00 0.00 0.00 -0.92 -0.48 0.00 0.00 177.13 175.73 2tbd h TYR 102 N 0.00 0.51 0.13 -0.32 5.03 -1.86 -1.66 116.97 118.79 2tbd h TYR 102 Ca 0.00 0.02 -0.01 0.00 2.58 0.00 0.00 58.73 61.33 2tbd h TYR 102 Cb 0.00 -0.13 0.00 0.00 1.55 0.00 0.00 36.73 38.15 2tbd h TYR 102 CO 0.02 -0.16 -0.06 1.25 -1.32 0.00 0.00 178.16 177.89 2tbd h LEU 103 N 0.12 -0.15 -1.87 2.82 7.12 -1.96 -0.93 115.31 120.46 2tbd h LEU 103 Ca 0.79 0.01 0.34 0.00 0.13 0.00 0.00 57.88 59.14 2tbd h LEU 103 Cb 2.46 0.04 -0.05 0.00 -0.53 0.00 0.00 40.66 42.59 2tbd h LEU 103 CO -0.38 -0.10 0.94 -0.03 -0.13 0.00 0.00 178.44 178.74 2tbd h MET 104 N -0.19 0.00 -0.19 1.25 4.05 -0.88 0.53 114.93 119.50 2tbd h MET 104 Ca -0.02 0.00 -0.12 0.00 -0.28 0.00 0.00 59.70 59.28 2tbd h MET 104 Cb 0.14 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.94 2tbd h MET 104 CO 0.03 0.00 -0.35 -0.92 0.23 0.00 0.00 176.91 175.90 2tbd h TYR 105 N 0.00 0.72 -0.97 1.39 3.20 -0.97 -0.18 116.97 120.16 2tbd h TYR 105 Ca 0.56 -0.25 0.01 0.00 3.14 0.00 0.00 58.73 62.18 2tbd h TYR 105 Cb 2.42 -0.14 -0.05 0.00 1.54 0.00 0.00 36.73 40.51 2tbd h TYR 105 CO 0.00 0.99 0.63 1.03 -1.64 0.00 0.00 178.16 179.17 2tbd h SER 106 N 0.24 1.13 1.31 -2.11 0.87 0.14 0.19 113.55 115.32 2tbd h SER 106 Ca 0.01 -0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.53 2tbd h SER 106 Cb 0.94 -0.28 0.00 0.00 -0.44 0.00 0.00 62.40 62.62 2tbd h SER 106 CO 0.08 0.83 0.00 0.00 -0.53 0.00 0.00 176.83 177.21 2tbd h ALA 107 N 1.37 1.00 0.00 6.23 0.00 -1.29 -1.41 119.26 125.16 2tbd h ALA 107 Ca 0.35 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.22 2tbd h ALA 107 Cb -0.13 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 2tbd h ALA 107 CO -0.07 0.00 -0.87 -0.07 0.00 0.00 0.00 179.25 178.23 2tbd h LEU 108 N 0.00 0.00 0.00 0.00 3.38 0.12 -3.36 115.31 115.45 2tbd h LEU 108 Ca 0.00 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.64 2tbd h LEU 108 Cb 0.65 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.34 2tbd h LEU 108 CO 0.00 0.15 -2.20 0.35 0.09 0.00 0.00 178.44 176.83 2tbd n THR 109 N -2.84 1.36 -3.21 0.22 -2.24 0.25 -3.98 114.28 103.84 2tbd n THR 109 Ca -0.01 -0.82 -0.37 0.00 -2.27 0.00 0.00 64.05 60.57 2tbd n THR 109 Cb 0.62 -0.56 -0.06 0.00 -2.10 0.00 0.00 70.33 68.23 2tbd n THR 109 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2tbd s ARG 110 N -2.58 4.21 0.82 -0.78 0.52 -0.55 -4.46 118.95 116.13 2tbd s ARG 110 Ca -0.09 0.77 -0.17 0.00 -0.52 0.00 0.00 55.73 55.73 2tbd s ARG 110 Cb 0.07 -3.08 -0.11 0.00 0.52 0.00 0.00 34.95 32.34 2tbd s ARG 110 CO 0.83 0.54 -0.28 -0.25 0.02 0.00 0.00 175.30 176.15 2tbd n ASP 111 N 1.25 -4.22 -0.02 0.23 8.00 -1.26 -1.88 116.55 118.65 2tbd n ASP 111 Ca -0.07 0.39 0.00 0.00 0.71 0.00 0.00 54.79 55.82 2tbd n ASP 111 Cb 0.51 -0.90 0.00 0.00 -0.02 0.00 0.00 41.12 40.70 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 1.27 0.98 -3.43 -0.24 -0.04 -1.26 -5.00 135.00 127.28 2tbd n PRO 112 Ca 0.03 0.00 -0.40 0.00 -0.04 0.00 0.00 63.50 63.09 2tbd n PRO 112 Cb 0.52 -1.02 -0.10 0.00 -0.04 0.00 0.00 33.50 32.86 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 -1.95 3.22 0.77 0.54 0.08 -0.79 -4.51 117.98 115.35 2tbd s PHE 113 Ca 0.00 0.03 -0.02 0.00 0.12 0.00 0.00 56.93 57.06 2tbd s PHE 113 Cb 0.00 -2.61 0.16 0.00 -0.57 0.00 0.00 43.02 40.00 2tbd s PHE 113 CO 0.00 -0.37 1.06 0.45 -0.10 0.00 0.00 175.22 176.26 2tbd n SER 114 N 5.32 1.24 -4.36 1.36 2.88 -0.68 -3.20 113.62 116.19 2tbd n SER 114 Ca -0.10 -2.09 -0.32 0.00 -1.33 0.00 0.00 58.87 55.03 2tbd n SER 114 Cb 0.50 -0.70 -0.15 0.00 -0.75 0.00 0.00 64.21 63.11 2tbd n SER 114 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 2tbd s VAL 115 N -3.26 2.63 -0.10 2.46 1.01 -1.26 -2.33 120.40 119.54 2tbd s VAL 115 Ca 0.69 -0.86 -0.09 0.00 0.00 0.00 0.00 61.98 61.72 2tbd s VAL 115 Cb -0.04 -2.02 -0.05 0.00 0.00 0.00 0.00 36.38 34.28 2tbd s VAL 115 CO 0.46 0.57 -0.20 -0.38 0.00 0.00 0.00 175.10 175.54 2tbd n ILE 116 N 2.88 1.18 -4.01 2.22 5.41 -0.55 -4.92 119.36 121.56 2tbd n ILE 116 Ca -0.17 0.06 -0.12 0.00 1.00 0.00 0.00 62.75 63.52 2tbd n ILE 116 Cb 0.52 -1.90 -0.03 0.00 -0.71 0.00 0.00 39.64 37.52 2tbd n ILE 116 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 176.55 174.94 2tbd s GLU 117 N -2.42 1.84 -0.06 0.38 2.02 -1.03 -4.98 118.70 114.45 2tbd s GLU 117 Ca -0.19 -1.54 -0.29 0.00 0.02 0.00 0.00 54.97 52.97 2tbd s GLU 117 Cb 0.05 0.48 0.09 0.00 0.10 0.00 0.00 34.13 34.85 2tbd s GLU 117 CO 0.26 -0.78 1.29 -0.85 0.02 0.00 0.00 175.26 175.20 2tbd n GLU 118 N -0.50 0.10 -0.08 1.61 0.28 -1.26 -1.35 120.64 119.44 2tbd n GLU 118 Ca -0.01 -0.63 -0.10 0.00 -0.16 0.00 0.00 57.16 56.26 2tbd n GLU 118 Cb 0.61 1.12 -0.08 0.00 1.43 0.00 0.00 31.44 34.53 2tbd n GLU 118 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 2tbd n SER 119 N -1.02 2.54 -4.83 -1.84 2.88 -1.07 -4.96 113.62 105.32 2tbd n SER 119 Ca 0.05 -0.06 -0.33 0.00 -1.33 0.00 0.00 58.87 57.20 2tbd n SER 119 Cb 0.56 0.02 -0.05 0.00 -0.75 0.00 0.00 64.21 64.00 2tbd n SER 119 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 2tbd s LEU 120 N -5.67 3.79 -1.29 2.46 1.43 -1.26 -4.95 118.68 113.19 2tbd s LEU 120 Ca -0.18 1.64 -0.18 0.00 -1.03 0.00 0.00 54.13 54.38 2tbd s LEU 120 Cb 0.05 -4.53 0.04 0.00 0.03 0.00 0.00 46.19 41.79 2tbd s LEU 120 CO 0.41 -0.47 1.80 -0.81 0.23 0.00 0.00 176.35 177.50 2tbd n PRO 121 N -1.08 2.95 0.00 1.29 -0.04 -1.26 -3.42 135.00 133.44 2tbd n PRO 121 Ca 0.07 -3.12 0.00 0.00 -0.04 0.00 0.00 63.50 60.41 2tbd n PRO 121 Cb 0.54 -3.51 0.00 0.00 -0.04 0.00 0.00 33.50 30.49 2tbd n PRO 121 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2tbd n GLY 122 N 5.37 1.55 0.00 0.55 0.00 -1.26 -5.03 105.19 106.37 2tbd n GLY 122 Ca 0.49 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.51 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 -0.05 -0.77 3.50 -0.02 0.00 -1.22 -5.01 105.19 101.63 2tbd n GLY 123 Ca 0.00 -2.14 -0.29 0.00 0.00 0.00 0.00 46.02 43.59 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 1.02 0.42 0.99 1.43 -1.26 -4.88 118.68 116.40 2tbd s LEU 124 Ca 0.00 1.62 0.06 0.00 -1.03 0.00 0.00 54.13 54.78 2tbd s LEU 124 Cb 0.00 -3.56 -0.07 0.00 0.03 0.00 0.00 46.19 42.59 2tbd s LEU 124 CO 0.00 -4.15 0.02 -0.54 0.23 0.00 0.00 176.35 171.91 2tbd s LYS 125 N -4.46 2.01 0.16 1.70 3.01 -1.14 -5.02 119.74 116.00 2tbd s LYS 125 Ca 0.68 -2.13 -0.17 0.00 -1.01 0.00 0.00 55.97 53.35 2tbd s LYS 125 Cb -0.25 -1.65 0.12 0.00 -1.01 0.00 0.00 37.83 35.04 2tbd s LYS 125 CO 0.64 -0.10 1.21 -1.91 0.51 0.00 0.00 175.35 175.71 2tbd n GLU 126 N -1.03 -0.23 0.00 1.68 2.13 -1.26 -4.13 120.64 117.81 2tbd n GLU 126 Ca -0.07 1.20 0.00 0.00 0.66 0.00 0.00 57.16 58.95 2tbd n GLU 126 Cb 0.67 -1.77 0.00 0.00 0.27 0.00 0.00 31.44 30.61 2tbd n GLU 126 CO 0.00 0.00 0.00 -2.39 -0.41 0.00 0.00 177.13 174.33 2tbd n HIS 127 N -5.10 0.00 0.00 4.31 1.44 -1.26 -4.99 115.22 109.61 2tbd n HIS 127 Ca 0.06 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.77 2tbd n HIS 127 Cb 0.28 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.39 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 0.00 0.00 0.00 4.39 8.00 -1.26 -4.78 116.55 122.90 2tbd n ASP 128 Ca 0.00 0.03 0.00 0.00 0.71 0.00 0.00 54.79 55.53 2tbd n ASP 128 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 2tbd n ASP 128 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 2tbd n PHE 129 N -0.45 -1.18 -3.05 1.24 3.72 -1.26 -2.90 117.46 113.57 2tbd n PHE 129 Ca 0.00 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 57.31 2tbd n PHE 129 Cb 0.00 0.24 -0.03 0.00 -0.94 0.00 0.00 39.48 38.75 2tbd n PHE 129 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 2tbd s ASN 130 N 0.58 -0.57 0.79 4.37 2.20 -1.26 -4.72 114.94 116.33 2tbd s ASN 130 Ca 0.00 -1.75 -0.12 0.00 -0.94 0.00 0.00 52.86 50.05 2tbd s ASN 130 Cb 0.00 1.30 0.07 0.00 -2.00 0.00 0.00 41.25 40.62 2tbd s ASN 130 CO 0.00 -0.13 1.14 -2.16 -2.94 0.00 0.00 177.10 173.01 2tbd s PRO 131 N 1.02 2.12 -0.15 3.55 0.04 -1.26 -4.76 135.00 135.56 2tbd s PRO 131 Ca 0.26 0.31 -0.10 0.00 0.04 0.00 0.00 61.00 61.50 2tbd s PRO 131 Cb -0.03 -1.95 0.04 0.00 0.04 0.00 0.00 34.50 32.60 2tbd s PRO 131 CO -0.07 -1.53 0.20 -1.91 0.04 0.00 0.00 177.00 173.73 2tbd n GLU 132 N -3.31 -4.25 -3.72 4.56 0.00 -1.26 -5.02 120.64 107.65 2tbd n GLU 132 Ca 0.07 3.23 -0.27 0.00 0.00 0.00 0.00 57.16 60.19 2tbd n GLU 132 Cb 0.59 -4.64 -0.17 0.00 0.00 0.00 0.00 31.44 27.22 2tbd n GLU 132 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.13 176.01 2tbd s SER 133 N -0.59 2.79 0.00 4.31 0.01 -1.26 -5.26 113.70 113.69 2tbd s SER 133 Ca -0.24 -0.77 0.00 0.00 1.31 0.00 0.00 55.95 56.25 2tbd s SER 133 Cb 0.02 -0.54 0.00 0.00 0.21 0.00 0.00 66.02 65.71 2tbd s SER 133 CO 0.64 -0.31 0.00 -1.54 0.41 0.00 0.00 173.24 172.44