#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 -4.15 -4.26 1.61 7.64 -1.26 -4.97 113.62 108.23 2tbd n SER 2 Ca 0.00 -0.75 -0.28 0.00 1.01 0.00 0.00 58.87 58.85 2tbd n SER 2 Cb 0.00 -4.12 -0.08 0.00 -1.01 0.00 0.00 64.21 59.00 2tbd n SER 2 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 2tbd s LYS 3 N -6.40 2.04 0.00 1.43 2.20 -1.26 -4.97 119.74 112.77 2tbd s LYS 3 Ca 0.49 -2.27 0.00 0.00 -0.36 0.00 0.00 55.97 53.83 2tbd s LYS 3 Cb -0.24 -0.84 0.00 0.00 -1.51 0.00 0.00 37.83 35.24 2tbd s LYS 3 CO 0.81 -0.48 0.00 1.55 -0.36 0.00 0.00 175.35 176.87 2tbd n VAL 4 N -1.04 -0.74 -0.56 4.02 3.14 -1.26 -4.85 118.33 117.05 2tbd n VAL 4 Ca -0.10 0.12 -0.29 0.00 -2.96 0.00 0.00 64.34 61.11 2tbd n VAL 4 Cb 0.65 -1.36 0.26 0.00 -1.06 0.00 0.00 33.84 32.33 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 -0.25 -1.60 0.68 1.45 -1.05 -1.26 -4.95 118.70 111.72 2tbd s GLU 5 Ca 0.00 0.51 -0.14 0.00 -0.15 0.00 0.00 54.97 55.19 2tbd s GLU 5 Cb 0.00 -1.50 0.01 0.00 -0.44 0.00 0.00 34.13 32.20 2tbd s GLU 5 CO 0.00 -4.09 1.12 -0.51 0.95 0.00 0.00 175.26 172.72 2tbd s ASP 6 N -2.86 4.93 -0.07 0.83 1.01 -1.26 -4.97 116.67 114.27 2tbd s ASP 6 Ca 0.68 2.01 -0.30 0.00 0.71 0.00 0.00 52.55 55.65 2tbd s ASP 6 Cb -0.20 -2.55 -0.02 0.00 1.01 0.00 0.00 42.92 41.16 2tbd s ASP 6 CO 0.62 -1.75 1.07 -2.16 0.21 0.00 0.00 175.17 173.15 2tbd s PRO 7 N -4.20 4.42 0.00 8.23 0.04 -1.26 -4.92 135.00 137.31 2tbd s PRO 7 Ca 0.67 1.49 0.25 0.00 0.04 0.00 0.00 61.00 63.45 2tbd s PRO 7 Cb -0.21 -3.53 0.49 0.00 0.04 0.00 0.00 34.50 31.29 2tbd s PRO 7 CO 0.44 -0.33 1.40 0.36 0.04 0.00 0.00 177.00 178.92 2tbd n LYS 8 N 4.91 0.01 -3.83 4.56 2.85 -1.26 -4.98 118.16 120.43 2tbd n LYS 8 Ca 0.09 0.00 -0.00 0.00 -1.05 0.00 0.00 58.31 57.35 2tbd n LYS 8 Cb 0.48 -1.51 0.01 0.00 -0.65 0.00 0.00 35.03 33.36 2tbd n LYS 8 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 2tbd s ASP 9 N -3.04 -0.04 0.79 -5.58 2.15 -1.26 -5.01 116.67 104.68 2tbd s ASP 9 Ca 0.11 -0.36 -0.14 0.00 0.43 0.00 0.00 52.55 52.58 2tbd s ASP 9 Cb 0.17 0.31 0.03 0.00 -0.30 0.00 0.00 42.92 43.13 2tbd s ASP 9 CO 0.70 -0.60 0.85 0.49 -0.17 0.00 0.00 175.17 176.44 2tbd n PHE 10 N -0.67 0.16 -2.32 -5.34 3.72 -1.26 -4.95 117.46 106.80 2tbd n PHE 10 Ca -0.03 0.36 -0.33 0.00 -0.05 0.00 0.00 57.45 57.41 2tbd n PHE 10 Cb 0.60 -2.00 -0.02 0.00 -0.94 0.00 0.00 39.48 37.12 2tbd n PHE 10 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 2tbd s PRO 11 N -3.51 3.72 0.60 -1.08 0.04 -1.26 -4.83 135.00 128.68 2tbd s PRO 11 Ca 0.69 1.11 0.33 0.00 0.04 0.00 0.00 61.00 63.16 2tbd s PRO 11 Cb -0.30 -2.10 1.94 0.00 0.04 0.00 0.00 34.50 34.08 2tbd s PRO 11 CO 0.55 -0.47 2.27 0.66 0.04 0.00 0.00 177.00 180.06 2tbd h SER 12 N 0.89 0.00 -0.31 6.66 4.64 -1.98 -1.01 113.55 122.45 2tbd h SER 12 Ca -0.47 0.00 0.09 0.00 -0.47 0.00 0.00 61.79 60.94 2tbd h SER 12 Cb 1.20 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.28 2tbd h SER 12 CO 0.60 0.01 0.40 -0.33 -0.87 0.00 0.00 176.83 176.63 2tbd h GLU 13 N 0.00 0.00 0.00 4.77 4.39 -2.02 -2.45 114.58 119.27 2tbd h GLU 13 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2tbd h GLU 13 Cb 0.02 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.67 2tbd h GLU 13 CO 0.00 0.00 0.00 1.28 -1.16 0.00 0.00 179.01 179.13 2tbd n LEU 14 N -3.56 0.37 0.18 1.33 4.32 -0.67 -4.78 117.00 114.19 2tbd n LEU 14 Ca 0.05 -0.37 0.12 0.00 -0.02 0.00 0.00 56.01 55.79 2tbd n LEU 14 Cb 0.54 0.00 0.62 0.00 -1.62 0.00 0.00 43.42 42.96 2tbd n LEU 14 CO 0.25 0.09 0.86 -0.07 -1.22 0.00 0.00 177.39 177.30 2tbd h LEU 15 N 0.00 0.00 -0.80 2.23 3.38 -0.71 -1.43 115.31 117.98 2tbd h LEU 15 Ca 0.00 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 2tbd h LEU 15 Cb 0.79 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.50 2tbd h LEU 15 CO 0.00 0.00 0.32 -1.28 0.09 0.00 0.00 178.44 177.57 2tbd h SER 16 N 0.00 1.11 -1.20 -0.43 0.87 -1.87 -3.11 113.55 108.93 2tbd h SER 16 Ca 0.00 -0.17 -0.74 0.00 -1.23 0.00 0.00 61.79 59.64 2tbd h SER 16 Cb 0.08 -0.29 -0.13 0.00 -0.44 0.00 0.00 62.40 61.63 2tbd h SER 16 CO 0.00 0.98 2.35 0.49 -0.53 0.00 0.00 176.83 180.12 2tbd n PHE 17 N -4.27 2.64 -3.93 2.24 3.72 -0.54 -4.89 117.46 112.44 2tbd n PHE 17 Ca 0.07 -2.82 -0.10 0.00 -0.05 0.00 0.00 57.45 54.56 2tbd n PHE 17 Cb 0.19 -1.85 -0.10 0.00 -0.94 0.00 0.00 39.48 36.78 2tbd n PHE 17 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 2tbd s LEU 18 N -1.82 1.84 0.04 4.37 2.01 -1.18 -4.18 118.68 119.76 2tbd s LEU 18 Ca 0.52 -0.46 0.24 0.00 0.01 0.00 0.00 54.13 54.44 2tbd s LEU 18 Cb 0.17 0.52 0.30 0.00 0.01 0.00 0.00 46.19 47.19 2tbd s LEU 18 CO -0.08 -0.44 1.26 -1.54 1.01 0.00 0.00 176.35 176.56 2tbd n SER 19 N 1.07 0.61 -4.30 2.29 3.41 -1.24 -4.65 113.62 110.81 2tbd n SER 19 Ca -0.21 -0.23 -0.38 0.00 -0.26 0.00 0.00 58.87 57.79 2tbd n SER 19 Cb 0.57 0.43 -0.04 0.00 -0.26 0.00 0.00 64.21 64.91 2tbd n SER 19 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 2tbd n HIS 20 N -1.73 -1.59 -3.86 7.33 8.25 -1.26 -4.88 115.22 117.48 2tbd n HIS 20 Ca 0.04 0.77 -0.08 0.00 -0.26 0.00 0.00 57.72 58.19 2tbd n HIS 20 Cb 0.38 -2.68 -0.02 0.00 1.12 0.00 0.00 29.99 28.79 2tbd n HIS 20 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2tbd n ALA 21 N -4.31 -0.13 0.06 -1.41 0.00 -1.26 -5.12 120.51 108.35 2tbd n ALA 21 Ca 0.08 -0.86 0.00 0.00 0.00 0.00 0.00 53.44 52.65 2tbd n ALA 21 Cb 0.49 0.70 0.00 0.00 0.00 0.00 0.00 19.45 20.63 2tbd n ALA 21 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2tbd n VAL 22 N -0.30 0.23 -1.39 0.00 0.31 -1.26 -4.84 118.33 111.07 2tbd n VAL 22 Ca 0.01 0.08 -0.24 0.00 -0.01 0.00 0.00 64.34 64.17 2tbd n VAL 22 Cb 0.31 -0.64 -0.07 0.00 -0.91 0.00 0.00 33.84 32.53 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 -3.00 1.38 -0.72 3.52 3.01 -1.26 -3.71 117.46 116.68 2tbd n PHE 23 Ca 0.00 -1.88 -0.33 0.00 1.01 0.00 0.00 57.45 56.24 2tbd n PHE 23 Cb 0.00 -1.38 0.15 0.00 -0.01 0.00 0.00 39.48 38.24 2tbd n PHE 23 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 2tbd n SER 24 N 1.06 -2.48 -4.44 4.37 7.64 -1.26 -4.98 113.62 113.53 2tbd n SER 24 Ca 0.47 -0.11 -0.26 0.00 1.01 0.00 0.00 58.87 59.98 2tbd n SER 24 Cb 0.60 -0.88 0.14 0.00 -1.01 0.00 0.00 64.21 63.06 2tbd n SER 24 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 2tbd s ASN 25 N -1.70 3.82 0.40 6.43 -0.87 -1.26 -4.89 114.94 116.86 2tbd s ASN 25 Ca 0.53 -0.12 0.00 0.00 -1.57 0.00 0.00 52.86 51.70 2tbd s ASN 25 Cb -0.08 -0.11 0.00 0.00 -0.02 0.00 0.00 41.25 41.04 2tbd s ASN 25 CO 0.66 -2.24 0.00 0.54 -2.57 0.00 0.00 177.10 173.49 2tbd n ARG 26 N -3.23 -0.55 -4.71 -0.60 1.74 -1.26 -4.69 116.66 103.37 2tbd n ARG 26 Ca 0.15 0.36 -0.33 0.00 -0.77 0.00 0.00 57.85 57.27 2tbd n ARG 26 Cb 0.60 -0.67 -0.16 0.00 -1.02 0.00 0.00 32.46 31.21 2tbd n ARG 26 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 2tbd s THR 27 N -0.58 2.50 0.29 0.55 -4.23 -1.26 -4.78 115.64 108.12 2tbd s THR 27 Ca 0.00 -0.84 -0.07 0.00 -1.18 0.00 0.00 61.69 59.60 2tbd s THR 27 Cb 0.00 -2.03 -0.06 0.00 1.34 0.00 0.00 72.50 71.75 2tbd s THR 27 CO 0.00 0.53 0.58 -0.76 -0.54 0.00 0.00 174.62 174.43 2tbd s LEU 28 N 0.67 4.06 -0.03 4.79 1.02 -0.03 -4.60 118.68 124.55 2tbd s LEU 28 Ca -0.09 0.83 0.05 0.00 0.02 0.00 0.00 54.13 54.95 2tbd s LEU 28 Cb -0.16 -3.64 0.08 0.00 0.02 0.00 0.00 46.19 42.48 2tbd s LEU 28 CO 0.02 -0.19 0.97 0.00 0.02 0.00 0.00 176.35 177.17 2tbd n ALA 29 N -0.76 1.93 -3.21 4.21 0.00 -1.26 -1.49 120.51 119.92 2tbd n ALA 29 Ca -0.00 -1.37 -0.19 0.00 0.00 0.00 0.00 53.44 51.87 2tbd n ALA 29 Cb 0.53 -0.14 -0.16 0.00 0.00 0.00 0.00 19.45 19.69 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 0.41 0.04 -0.24 0.00 0.40 -1.08 -2.19 117.98 115.31 2tbd s PHE 31 Ca -0.06 -0.43 0.02 0.00 -0.60 0.00 0.00 56.93 55.86 2tbd s PHE 31 Cb -0.10 0.05 0.06 0.00 0.51 0.00 0.00 43.02 43.54 2tbd s PHE 31 CO 0.00 -0.61 -0.08 0.00 0.70 0.00 0.00 175.22 175.24 2tbd s ALA 32 N -3.84 2.25 -0.95 5.36 0.00 -0.68 -2.67 121.76 121.22 2tbd s ALA 32 Ca 0.05 -1.54 -0.19 0.00 0.00 0.00 0.00 51.96 50.27 2tbd s ALA 32 Cb 0.04 -1.50 0.12 0.00 0.00 0.00 0.00 23.12 21.78 2tbd s ALA 32 CO -0.11 -1.18 1.19 0.42 0.00 0.00 0.00 175.76 176.09 2tbd s ILE 33 N 1.26 4.59 -0.52 0.00 -1.09 -0.52 -2.37 121.20 122.55 2tbd s ILE 33 Ca -0.07 -1.46 -0.28 0.00 -2.23 0.00 0.00 60.65 56.61 2tbd s ILE 33 Cb -0.19 -4.83 0.03 0.00 -1.58 0.00 0.00 42.46 35.88 2tbd s ILE 33 CO -0.06 -1.59 1.13 -0.47 -1.23 0.00 0.00 174.94 172.73 2tbd s TYR 34 N 3.07 2.75 0.20 3.97 5.04 -0.83 -1.43 117.35 130.12 2tbd s TYR 34 Ca 0.35 0.56 -0.08 0.00 -2.44 0.00 0.00 57.07 55.46 2tbd s TYR 34 Cb -0.04 -4.42 -0.02 0.00 0.35 0.00 0.00 41.96 37.84 2tbd s TYR 34 CO -0.09 -1.37 0.30 0.95 -1.34 0.00 0.00 175.55 174.00 2tbd s THR 35 N 4.56 0.03 0.74 4.34 -4.23 -1.05 -0.03 115.64 119.99 2tbd s THR 35 Ca 0.45 -1.55 -0.14 0.00 -1.18 0.00 0.00 61.69 59.26 2tbd s THR 35 Cb -0.08 -2.12 0.04 0.00 1.34 0.00 0.00 72.50 71.69 2tbd s THR 35 CO 0.29 -0.14 1.18 0.42 -0.54 0.00 0.00 174.62 175.83 2tbd s THR 36 N -4.03 2.46 0.21 3.99 -4.23 -1.25 -2.16 115.64 110.64 2tbd s THR 36 Ca 0.24 0.22 -0.20 0.00 -1.18 0.00 0.00 61.69 60.77 2tbd s THR 36 Cb 0.03 -2.72 0.18 0.00 1.34 0.00 0.00 72.50 71.33 2tbd s THR 36 CO 0.06 -0.13 1.53 2.29 -0.54 0.00 0.00 174.62 177.82 2tbd n LYS 37 N -2.84 -0.27 -0.28 3.99 2.85 -1.26 0.43 118.16 120.77 2tbd n LYS 37 Ca 0.13 1.52 0.06 0.00 -1.05 0.00 0.00 58.31 58.97 2tbd n LYS 37 Cb 0.51 -2.25 0.21 0.00 -0.65 0.00 0.00 35.03 32.85 2tbd n LYS 37 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 177.40 178.84 2tbd h GLU 38 N 0.00 0.56 0.02 -1.58 4.81 -1.99 -1.61 114.58 114.78 2tbd h GLU 38 Ca 0.31 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.50 2tbd h GLU 38 Cb 0.56 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.81 2tbd h GLU 38 CO -0.97 0.37 -0.01 0.87 -0.73 0.00 0.00 179.01 178.54 2tbd h LYS 39 N 0.57 -0.03 -0.77 1.92 1.57 -0.33 -2.85 116.57 116.65 2tbd h LYS 39 Ca 0.45 0.00 0.12 0.00 -1.87 0.00 0.00 60.65 59.35 2tbd h LYS 39 Cb 0.64 0.01 -0.13 0.00 0.08 0.00 0.00 32.23 32.83 2tbd h LYS 39 CO -0.37 -0.02 -0.40 0.00 -0.57 0.00 0.00 179.45 178.09 2tbd h ALA 40 N -1.99 -0.08 -0.92 3.86 0.00 -1.27 0.29 119.26 119.15 2tbd h ALA 40 Ca -0.00 0.19 0.26 0.00 0.00 0.00 0.00 54.91 55.36 2tbd h ALA 40 Cb 0.02 0.96 -0.16 0.00 0.00 0.00 0.00 17.79 18.61 2tbd h ALA 40 CO 0.00 -0.72 0.19 0.00 0.00 0.00 0.00 179.25 178.72 2tbd h ALA 41 N 1.00 1.31 -0.36 0.00 0.00 -1.31 0.91 119.26 120.82 2tbd h ALA 41 Ca 0.26 0.27 -0.14 0.00 0.00 0.00 0.00 54.91 55.30 2tbd h ALA 41 Cb 0.56 0.42 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 2tbd h ALA 41 CO -0.82 -0.55 -0.33 -0.07 0.00 0.00 0.00 179.25 177.48 2tbd h LEU 42 N 0.11 0.85 -0.62 0.00 3.38 -0.23 -2.45 115.31 116.36 2tbd h LEU 42 Ca 0.59 -0.36 0.00 0.00 0.09 0.00 0.00 57.88 58.21 2tbd h LEU 42 Cb 1.25 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.77 2tbd h LEU 42 CO -0.76 1.10 0.00 0.18 0.09 0.00 0.00 178.44 179.05 2tbd n LEU 43 N -4.07 0.66 0.00 1.67 7.99 0.28 -1.91 117.00 121.63 2tbd n LEU 43 Ca -0.01 0.65 0.00 0.00 -0.01 0.00 0.00 56.01 56.64 2tbd n LEU 43 Cb 0.50 -0.55 0.00 0.00 -0.11 0.00 0.00 43.42 43.26 2tbd n LEU 43 CO 0.46 -0.52 0.11 0.00 -1.51 0.00 0.00 177.39 175.93 2tbd n TYR 44 N -2.22 0.00 0.22 -1.77 9.36 0.79 -0.85 117.16 122.69 2tbd n TYR 44 Ca 0.02 0.00 0.14 0.00 3.32 0.00 0.00 57.90 61.39 2tbd n TYR 44 Cb 0.25 -0.42 0.77 0.00 -0.63 0.00 0.00 39.34 39.31 2tbd n TYR 44 CO 0.00 0.00 0.00 -0.22 0.22 0.00 0.00 176.86 176.86 2tbd h LYS 45 N 0.00 0.00 0.00 2.98 1.63 -1.64 -1.36 116.57 118.18 2tbd h LYS 45 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 2tbd h LYS 45 Cb 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.63 2tbd h LYS 45 CO 0.00 0.00 0.00 1.63 -3.45 0.00 0.00 179.45 177.63 2tbd n LYS 46 N -2.51 0.00 -0.26 1.90 5.02 -0.80 -4.25 118.16 117.26 2tbd n LYS 46 Ca -0.02 0.02 0.32 0.00 -2.02 0.00 0.00 58.31 56.61 2tbd n LYS 46 Cb 0.08 -0.28 0.58 0.00 -0.02 0.00 0.00 35.03 35.39 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 0.09 0.00 -0.18 1.08 -1.05 -2.29 117.51 115.16 2tbd h ILE 47 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.47 2tbd h ILE 47 Cb 0.00 0.14 0.00 0.00 -3.07 0.00 0.00 36.82 33.89 2tbd h ILE 47 CO 0.00 0.00 0.00 0.80 -0.69 0.00 0.00 178.15 178.26 2tbd n MET 48 N -3.51 0.00 0.00 2.37 1.56 -0.51 -1.47 117.12 115.57 2tbd n MET 48 Ca 0.25 0.34 0.13 0.00 -0.27 0.00 0.00 57.70 58.15 2tbd n MET 48 Cb 1.45 -0.96 0.76 0.00 2.15 0.00 0.00 33.22 36.61 2tbd n MET 48 CO 0.00 0.00 0.00 -1.91 -0.73 0.00 0.00 175.97 173.33 2tbd n GLU 49 N -0.81 0.83 0.03 2.12 2.13 -1.05 -1.58 120.64 122.31 2tbd n GLU 49 Ca 0.00 0.00 -0.02 0.00 0.66 0.00 0.00 57.16 57.80 2tbd n GLU 49 Cb 0.00 -1.48 -0.01 0.00 0.27 0.00 0.00 31.44 30.21 2tbd n GLU 49 CO 0.00 0.00 0.00 -0.22 -0.41 0.00 0.00 177.13 176.50 2tbd h LYS 50 N 0.00 -0.15 -0.31 5.31 3.64 -0.73 -3.38 116.57 120.96 2tbd h LYS 50 Ca 0.00 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 2tbd h LYS 50 Cb 0.00 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 31.85 2tbd h LYS 50 CO 0.00 -0.10 0.00 0.66 -2.27 0.00 0.00 179.45 177.74 2tbd n TYR 51 N -3.95 0.97 -4.16 1.91 4.02 -0.54 -4.95 117.16 110.47 2tbd n TYR 51 Ca -0.02 -0.80 -0.29 0.00 -0.01 0.00 0.00 57.90 56.77 2tbd n TYR 51 Cb 0.06 -0.29 -0.06 0.00 -0.02 0.00 0.00 39.34 39.04 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 -0.23 -0.07 -3.94 7.72 7.64 -0.61 -3.86 113.62 120.28 2tbd n SER 52 Ca 0.20 -1.13 -0.52 0.00 1.01 0.00 0.00 58.87 58.43 2tbd n SER 52 Cb 0.85 -2.34 -0.07 0.00 -1.01 0.00 0.00 64.21 61.64 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 0.79 0.44 0.24 -1.22 -4.26 118.33 109.85 2tbd n VAL 53 Ca -0.27 0.00 0.09 0.00 -2.04 0.00 0.00 64.34 62.12 2tbd n VAL 53 Cb 0.67 -0.02 0.43 0.00 -1.47 0.00 0.00 33.84 33.45 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 1.41 0.55 0.00 3.34 -1.04 -1.20 -4.69 114.28 112.65 2tbd n THR 54 Ca 0.18 0.14 0.00 0.00 -2.04 0.00 0.00 64.05 62.33 2tbd n THR 54 Cb 0.06 -0.84 0.00 0.00 -1.82 0.00 0.00 70.33 67.73 2tbd n THR 54 CO 0.00 0.00 0.00 0.33 -0.64 0.00 0.00 175.07 174.76 2tbd n PHE 55 N -1.33 0.00 -3.75 -1.42 7.35 -1.26 -4.85 117.46 112.20 2tbd n PHE 55 Ca 0.07 0.00 -0.26 0.00 -0.76 0.00 0.00 57.45 56.50 2tbd n PHE 55 Cb 0.16 0.00 -0.17 0.00 0.35 0.00 0.00 39.48 39.82 2tbd n PHE 55 CO 0.00 0.00 0.00 -1.50 -0.76 0.00 0.00 176.76 174.50 2tbd s ILE 56 N 0.00 0.50 -0.10 -2.13 2.07 -1.26 -1.19 121.20 119.09 2tbd s ILE 56 Ca 0.00 -0.38 0.03 0.00 -1.41 0.00 0.00 60.65 58.89 2tbd s ILE 56 Cb 0.00 -0.91 -0.01 0.00 0.13 0.00 0.00 42.46 41.67 2tbd s ILE 56 CO 0.00 -0.07 -0.20 -0.55 -1.91 0.00 0.00 174.94 172.21 2tbd s SER 57 N 1.88 3.48 -0.46 4.50 0.15 0.08 -2.27 113.70 121.06 2tbd s SER 57 Ca 0.01 -0.45 -0.17 0.00 0.70 0.00 0.00 55.95 56.03 2tbd s SER 57 Cb -0.16 -1.39 0.04 0.00 -1.71 0.00 0.00 66.02 62.81 2tbd s SER 57 CO -0.07 0.18 0.48 -0.13 1.20 0.00 0.00 173.24 174.90 2tbd s ARG 58 N 0.23 3.08 0.47 5.44 0.52 0.01 -1.67 118.95 127.02 2tbd s ARG 58 Ca -0.13 -0.92 0.08 0.00 -0.52 0.00 0.00 55.73 54.24 2tbd s ARG 58 Cb -0.16 -4.04 0.01 0.00 0.52 0.00 0.00 34.95 31.28 2tbd s ARG 58 CO 0.07 -1.00 0.48 -1.01 0.02 0.00 0.00 175.30 173.87 2tbd s HIS 59 N 2.18 2.32 -0.18 -0.53 3.76 -1.07 -1.40 115.29 120.37 2tbd s HIS 59 Ca 0.11 -0.58 -0.00 0.00 -0.15 0.00 0.00 55.06 54.45 2tbd s HIS 59 Cb -0.19 -2.17 0.01 0.00 1.11 0.00 0.00 32.58 31.34 2tbd s HIS 59 CO 0.12 -0.41 -0.16 -0.80 -0.85 0.00 0.00 174.74 172.64 2tbd s ASN 60 N -4.28 3.51 0.00 1.40 0.02 -1.02 -1.15 114.94 113.42 2tbd s ASN 60 Ca 0.49 -0.55 0.00 0.00 -1.02 0.00 0.00 52.86 51.78 2tbd s ASN 60 Cb -0.05 -1.55 0.00 0.00 0.02 0.00 0.00 41.25 39.67 2tbd s ASN 60 CO 0.29 0.02 0.00 -1.54 0.02 0.00 0.00 177.10 175.90 2tbd n SER 61 N 4.46 0.00 -0.03 -1.22 3.41 -0.90 -1.82 113.62 117.52 2tbd n SER 61 Ca -0.20 0.00 -0.05 0.00 -0.26 0.00 0.00 58.87 58.36 2tbd n SER 61 Cb 0.51 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.44 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 0.00 0.00 -1.87 7.33 4.01 -1.26 -4.80 117.16 120.57 2tbd n TYR 62 Ca 0.00 0.00 0.03 0.00 -0.16 0.00 0.00 57.90 57.77 2tbd n TYR 62 Cb 0.00 -0.26 0.04 0.00 -0.31 0.00 0.00 39.34 38.80 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 -3.97 0.67 -1.19 7.72 3.02 -1.26 -5.09 115.26 115.15 2tbd n ASN 63 Ca -0.07 -2.29 -0.01 0.00 -0.03 0.00 0.00 54.58 52.17 2tbd n ASN 63 Cb 0.27 -0.27 -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 -0.26 -0.77 -4.75 3.10 8.25 -1.26 -4.77 115.22 114.76 2tbd n HIS 64 Ca 0.05 -0.22 -0.25 0.00 -0.26 0.00 0.00 57.72 57.04 2tbd n HIS 64 Cb 0.75 0.07 -0.15 0.00 1.12 0.00 0.00 29.99 31.78 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 -1.22 2.12 -0.61 0.41 -0.87 -0.92 -2.13 114.94 111.73 2tbd s ASN 65 Ca 0.02 -0.38 -0.18 0.00 -1.57 0.00 0.00 52.86 50.75 2tbd s ASN 65 Cb -0.00 -0.21 0.11 0.00 -0.02 0.00 0.00 41.25 41.13 2tbd s ASN 65 CO 0.02 0.18 0.70 -0.63 -2.57 0.00 0.00 177.10 174.81 2tbd s ILE 66 N -0.55 4.88 -1.16 0.60 1.09 -0.30 -2.54 121.20 123.22 2tbd s ILE 66 Ca 0.06 -1.12 -0.21 0.00 -1.10 0.00 0.00 60.65 58.28 2tbd s ILE 66 Cb -0.07 -4.49 0.05 0.00 -1.06 0.00 0.00 42.46 36.89 2tbd s ILE 66 CO 0.00 -1.12 1.64 -0.22 -0.10 0.00 0.00 174.94 175.14 2tbd s LEU 67 N 2.49 3.62 -0.00 2.97 2.96 -0.52 -2.59 118.68 127.61 2tbd s LEU 67 Ca 0.12 -1.90 -0.30 0.00 -0.22 0.00 0.00 54.13 51.82 2tbd s LEU 67 Cb -0.23 -2.58 -0.03 0.00 0.50 0.00 0.00 46.19 43.85 2tbd s LEU 67 CO 0.05 -1.49 1.05 0.12 -1.32 0.00 0.00 176.35 174.76 2tbd s PHE 68 N 5.17 3.56 -0.11 5.38 5.36 -0.67 -1.44 117.98 135.23 2tbd s PHE 68 Ca 0.52 1.56 -0.10 0.00 -0.96 0.00 0.00 56.93 57.95 2tbd s PHE 68 Cb 0.02 -3.22 0.03 0.00 -0.34 0.00 0.00 43.02 39.50 2tbd s PHE 68 CO 0.00 -0.44 0.28 -0.59 -1.46 0.00 0.00 175.22 173.01 2tbd s PHE 69 N 1.22 -0.31 0.33 10.12 -0.71 -1.09 -0.74 117.98 126.80 2tbd s PHE 69 Ca 0.54 0.75 0.05 0.00 -1.04 0.00 0.00 56.93 57.23 2tbd s PHE 69 Cb -0.23 0.10 0.05 0.00 -1.21 0.00 0.00 43.02 41.74 2tbd s PHE 69 CO 0.27 -0.15 0.46 -0.11 -1.34 0.00 0.00 175.22 174.34 2tbd n LEU 70 N 2.98 0.00 -3.58 -1.99 7.94 -0.33 -2.62 117.00 119.40 2tbd n LEU 70 Ca -0.13 -1.44 -0.16 0.00 -1.11 0.00 0.00 56.01 53.17 2tbd n LEU 70 Cb 0.58 -0.24 -0.07 0.00 0.53 0.00 0.00 43.42 44.22 2tbd n LEU 70 CO 0.17 -0.62 0.42 0.42 -1.11 0.00 0.00 177.39 176.67 2tbd s THR 71 N -1.07 0.00 0.00 1.96 -4.23 0.07 -3.21 115.64 109.16 2tbd s THR 71 Ca 0.35 -0.01 0.00 0.00 -1.18 0.00 0.00 61.69 60.85 2tbd s THR 71 Cb -0.03 -0.99 0.00 0.00 1.34 0.00 0.00 72.50 72.83 2tbd s THR 71 CO 0.22 -0.00 0.07 -0.81 -0.54 0.00 0.00 174.62 173.56 2tbd n PRO 72 N 1.76 0.00 -0.63 3.99 -0.04 -1.25 -4.72 135.00 134.11 2tbd n PRO 72 Ca -0.17 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.06 2tbd n PRO 72 Cb 0.56 -0.56 0.13 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 -0.49 -1.93 -4.07 0.54 1.44 -1.26 -4.95 115.22 104.50 2tbd n HIS 73 Ca 0.00 0.14 -0.33 0.00 -2.01 0.00 0.00 57.72 55.53 2tbd n HIS 73 Cb 0.00 -1.43 -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 -3.21 3.09 -0.04 -1.40 0.52 -1.26 -4.72 118.95 111.93 2tbd s ARG 74 Ca 0.39 -0.49 -0.14 0.00 -0.52 0.00 0.00 55.73 54.97 2tbd s ARG 74 Cb -0.05 -2.87 0.03 0.00 0.52 0.00 0.00 34.95 32.57 2tbd s ARG 74 CO 0.44 0.64 0.32 -1.01 0.02 0.00 0.00 175.30 175.70 2tbd s HIS 75 N -1.24 -0.22 0.38 -0.53 0.09 -0.56 -4.95 115.29 108.26 2tbd s HIS 75 Ca 0.25 0.41 -0.22 0.00 -0.00 0.00 0.00 55.06 55.49 2tbd s HIS 75 Cb -0.12 0.10 -0.10 0.00 -0.00 0.00 0.00 32.58 32.46 2tbd s HIS 75 CO 0.16 -0.35 0.93 0.50 -0.00 0.00 0.00 174.74 175.98 2tbd s ARG 76 N -1.01 4.34 0.64 1.40 3.52 -1.26 -0.85 118.95 125.73 2tbd s ARG 76 Ca -0.11 1.15 0.35 0.00 -0.13 0.00 0.00 55.73 57.00 2tbd s ARG 76 Cb -0.05 -2.43 1.96 0.00 -1.56 0.00 0.00 34.95 32.87 2tbd s ARG 76 CO 0.03 0.10 2.16 0.28 -0.81 0.00 0.00 175.30 177.07 2tbd h VAL 77 N 2.18 0.15 -0.38 7.11 2.07 -1.89 0.19 116.25 125.69 2tbd h VAL 77 Ca -0.48 0.00 -0.15 0.00 0.82 0.00 0.00 66.70 66.89 2tbd h VAL 77 Cb 1.18 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 31.80 2tbd h VAL 77 CO 0.63 0.00 -0.36 -1.28 0.02 0.00 0.00 177.57 176.58 2tbd h SER 78 N 0.00 0.93 0.56 0.57 0.87 -1.91 0.61 113.55 115.18 2tbd h SER 78 Ca 0.02 -0.41 -0.03 0.00 -1.23 0.00 0.00 61.79 60.15 2tbd h SER 78 Cb 0.34 -0.26 0.01 0.00 -0.44 0.00 0.00 62.40 62.04 2tbd h SER 78 CO -0.00 1.19 -0.27 0.00 -0.53 0.00 0.00 176.83 177.22 2tbd h ALA 79 N 0.86 -0.82 -0.47 6.23 0.00 -0.99 -0.80 119.26 123.28 2tbd h ALA 79 Ca 0.07 -0.16 0.14 0.00 0.00 0.00 0.00 54.91 54.95 2tbd h ALA 79 Cb 0.93 0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.99 2tbd h ALA 79 CO 0.09 -0.76 0.39 0.82 0.00 0.00 0.00 179.25 179.79 2tbd h ILE 80 N -1.09 0.58 -0.38 0.00 1.08 -1.52 0.31 117.51 116.49 2tbd h ILE 80 Ca -0.08 0.00 -0.16 0.00 -0.39 0.00 0.00 64.86 64.23 2tbd h ILE 80 Cb 0.57 0.71 -0.01 0.00 -3.07 0.00 0.00 36.82 35.03 2tbd h ILE 80 CO 0.13 0.00 -0.39 -1.13 -0.69 0.00 0.00 178.15 176.07 2tbd h ASN 81 N 0.00 0.98 -0.75 1.72 -0.00 -0.63 -0.75 115.58 116.16 2tbd h ASN 81 Ca 0.22 -0.45 0.01 0.00 -0.00 0.00 0.00 56.30 56.09 2tbd h ASN 81 Cb 1.00 -0.28 -0.04 0.00 -0.00 0.00 0.00 38.32 39.01 2tbd h ASN 81 CO -0.00 1.25 0.50 -1.13 -0.00 0.00 0.00 177.43 178.04 2tbd h ASN 82 N 0.75 0.84 0.00 1.15 -1.24 0.11 0.89 115.58 118.09 2tbd h ASN 82 Ca 0.06 -0.02 0.00 0.00 0.71 0.00 0.00 56.30 57.05 2tbd h ASN 82 Cb 0.98 -0.21 0.00 0.00 0.73 0.00 0.00 38.32 39.82 2tbd h ASN 82 CO 0.09 0.60 -0.00 0.22 -1.29 0.00 0.00 177.43 177.06 2tbd h TYR 83 N 0.99 0.00 -0.47 0.67 3.20 -1.28 -1.62 116.97 118.45 2tbd h TYR 83 Ca 0.28 0.00 0.14 0.00 3.14 0.00 0.00 58.73 62.29 2tbd h TYR 83 Cb -0.07 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.18 2tbd h TYR 83 CO -0.00 0.00 0.75 0.00 -1.64 0.00 0.00 178.16 177.27 2tbd h ALA 84 N -1.73 2.22 0.12 1.82 0.00 -1.19 0.60 119.26 121.11 2tbd h ALA 84 Ca 0.00 -0.02 -0.33 0.00 0.00 0.00 0.00 54.91 54.56 2tbd h ALA 84 Cb 0.00 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2tbd h ALA 84 CO 0.00 -0.99 -1.73 0.37 0.00 0.00 0.00 179.25 176.90 2tbd h GLN 85 N 0.00 0.26 0.00 0.00 5.75 -0.89 -3.23 115.11 117.00 2tbd h GLN 85 Ca 0.22 -0.45 0.00 0.00 -0.15 0.00 0.00 58.65 58.28 2tbd h GLN 85 Cb 1.71 0.17 0.00 0.00 1.07 0.00 0.00 27.48 30.43 2tbd h GLN 85 CO -0.00 1.12 0.00 1.63 -2.65 0.00 0.00 178.83 178.93 2tbd n LYS 86 N -3.45 0.11 -0.22 1.69 4.76 0.20 -1.04 118.16 120.22 2tbd n LYS 86 Ca -0.22 0.44 0.03 0.00 -2.87 0.00 0.00 58.31 55.68 2tbd n LYS 86 Cb 1.05 -1.75 0.13 0.00 -1.84 0.00 0.00 35.03 32.62 2tbd n LYS 86 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 2tbd n LEU 87 N -1.97 1.98 -4.15 -0.35 4.77 -0.57 -4.55 117.00 112.16 2tbd n LEU 87 Ca 0.01 -1.00 -0.44 0.00 -0.03 0.00 0.00 56.01 54.56 2tbd n LEU 87 Cb 0.15 -0.36 0.00 0.00 -2.33 0.00 0.00 43.42 40.88 2tbd n LEU 87 CO 0.14 0.36 1.18 0.00 -1.33 0.00 0.00 177.39 177.74 2tbd n THR 89 N 2.49 0.46 0.00 0.00 -2.24 -1.26 -4.86 114.28 108.87 2tbd n THR 89 Ca 0.29 -0.54 0.00 0.00 -2.27 0.00 0.00 64.05 61.53 2tbd n THR 89 Cb 0.37 0.45 0.00 0.00 -2.10 0.00 0.00 70.33 69.05 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 -0.33 -0.08 -3.79 4.78 -1.74 -1.26 -5.15 117.46 109.89 2tbd n PHE 90 Ca 0.03 0.00 -0.00 0.00 -0.56 0.00 0.00 57.45 56.92 2tbd n PHE 90 Cb 0.61 0.11 -0.00 0.00 1.52 0.00 0.00 39.48 41.72 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 -1.72 -0.03 -4.85 5.98 7.64 -1.26 -5.08 113.62 114.31 2tbd n SER 91 Ca 0.00 -1.06 -0.31 0.00 1.01 0.00 0.00 58.87 58.51 2tbd n SER 91 Cb 0.00 0.06 0.01 0.00 -1.01 0.00 0.00 64.21 63.27 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 -3.51 3.40 0.02 1.43 -0.12 -1.26 -4.82 117.98 113.11 2tbd s PHE 92 Ca 0.01 1.38 0.01 0.00 -0.05 0.00 0.00 56.93 58.28 2tbd s PHE 92 Cb 0.00 -2.80 -0.01 0.00 -0.63 0.00 0.00 43.02 39.57 2tbd s PHE 92 CO 0.01 -0.80 -0.05 -1.17 -0.05 0.00 0.00 175.22 173.17 2tbd s LEU 93 N -4.96 2.14 -0.42 -1.99 0.20 -1.26 -3.79 118.68 108.59 2tbd s LEU 93 Ca 0.57 -0.31 0.10 0.00 0.69 0.00 0.00 54.13 55.18 2tbd s LEU 93 Cb -0.12 -0.11 0.31 0.00 -0.43 0.00 0.00 46.19 45.85 2tbd s LEU 93 CO 0.48 -0.11 0.70 -0.38 -0.29 0.00 0.00 176.35 176.75 2tbd n ILE 94 N 2.21 0.27 -2.69 6.68 5.41 0.95 -4.99 119.36 127.20 2tbd n ILE 94 Ca -0.18 -4.60 -0.42 0.00 1.00 0.00 0.00 62.75 58.54 2tbd n ILE 94 Cb 0.57 -0.99 -0.03 0.00 -0.71 0.00 0.00 39.64 38.48 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 1.69 0.50 1.04 0.00 2.47 -1.00 -4.95 119.74 119.48 2tbd s LYS 96 Ca 0.50 1.01 -0.15 0.00 -1.56 0.00 0.00 55.97 55.76 2tbd s LYS 96 Cb -0.19 0.14 0.08 0.00 -1.46 0.00 0.00 37.83 36.39 2tbd s LYS 96 CO 0.21 -0.17 0.27 0.41 0.16 0.00 0.00 175.35 176.23 2tbd n GLY 97 N 4.51 -2.19 3.24 5.54 0.00 -1.26 -1.68 105.19 113.35 2tbd n GLY 97 Ca -0.20 -0.79 -0.15 0.00 0.00 0.00 0.00 46.02 44.89 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 -2.33 1.19 -0.27 1.61 1.01 -0.93 -3.68 120.40 117.00 2tbd s VAL 98 Ca 0.57 -1.94 -0.10 0.00 0.00 0.00 0.00 61.98 60.51 2tbd s VAL 98 Cb -0.17 -1.72 -0.13 0.00 0.00 0.00 0.00 36.38 34.36 2tbd s VAL 98 CO 0.67 -0.65 -0.32 0.59 0.00 0.00 0.00 175.10 175.38 2tbd n ASN 99 N 0.05 1.92 -4.08 3.32 3.02 -1.26 -4.75 115.26 113.48 2tbd n ASN 99 Ca -0.12 0.23 -0.36 0.00 -0.03 0.00 0.00 54.58 54.30 2tbd n ASN 99 Cb 0.59 -0.71 -0.10 0.00 -0.61 0.00 0.00 39.78 38.96 2tbd n ASN 99 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2tbd s LYS 100 N -2.49 2.47 0.03 3.52 1.02 -1.26 -4.95 119.74 118.08 2tbd s LYS 100 Ca -0.37 -2.51 -0.28 0.00 0.02 0.00 0.00 55.97 52.84 2tbd s LYS 100 Cb 0.13 -3.68 -0.15 0.00 -0.52 0.00 0.00 37.83 33.61 2tbd s LYS 100 CO 0.49 -1.16 1.28 1.49 -0.92 0.00 0.00 175.35 176.53 2tbd h GLU 101 N 7.01 -0.96 -0.57 1.68 4.22 -1.92 -2.27 114.58 121.78 2tbd h GLU 101 Ca -0.03 0.07 0.05 0.00 0.08 0.00 0.00 59.36 59.53 2tbd h GLU 101 Cb 0.95 0.22 -0.07 0.00 0.50 0.00 0.00 28.75 30.35 2tbd h GLU 101 CO 0.71 -0.64 -0.33 0.98 -2.18 0.00 0.00 179.01 177.54 2tbd n TYR 102 N -5.00 -0.25 -0.25 0.92 4.19 -1.26 0.59 117.16 116.10 2tbd n TYR 102 Ca -0.12 0.71 0.04 0.00 3.31 0.00 0.00 57.90 61.84 2tbd n TYR 102 Cb 0.39 -0.52 0.17 0.00 0.49 0.00 0.00 39.34 39.88 2tbd n TYR 102 CO 0.00 0.00 0.00 -0.07 0.91 0.00 0.00 176.86 177.70 2tbd h LEU 103 N 0.00 0.25 0.00 2.98 3.38 -1.98 -1.01 115.31 118.93 2tbd h LEU 103 Ca 0.09 0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.17 2tbd h LEU 103 Cb 0.23 0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.07 2tbd h LEU 103 CO -0.53 0.10 0.00 0.80 0.09 0.00 0.00 178.44 178.90 2tbd n MET 104 N -5.01 0.00 -0.67 1.13 1.56 0.20 -1.65 117.12 112.67 2tbd n MET 104 Ca 0.13 0.37 0.52 0.00 -0.27 0.00 0.00 57.70 58.45 2tbd n MET 104 Cb 0.39 -1.30 0.81 0.00 2.15 0.00 0.00 33.22 35.27 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 0.06 0.11 1.12 3.20 -0.91 0.91 116.97 121.46 2tbd h TYR 105 Ca 0.00 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.87 2tbd h TYR 105 Cb 0.00 -0.01 0.00 0.00 1.54 0.00 0.00 36.73 38.26 2tbd h TYR 105 CO 0.15 -0.03 -0.05 1.03 -1.64 0.00 0.00 178.16 177.61 2tbd h SER 106 N 0.00 -0.13 0.27 -2.11 0.87 -0.92 -0.64 113.55 110.89 2tbd h SER 106 Ca 0.92 -0.34 0.00 0.00 -1.23 0.00 0.00 61.79 61.14 2tbd h SER 106 Cb 3.64 0.03 0.00 0.00 -0.44 0.00 0.00 62.40 65.63 2tbd h SER 106 CO -0.06 0.30 0.00 0.00 -0.53 0.00 0.00 176.83 176.54 2tbd n ALA 107 N -2.40 1.29 -0.01 6.23 0.00 0.30 -1.70 120.51 124.23 2tbd n ALA 107 Ca -0.09 0.09 -0.11 0.00 0.00 0.00 0.00 53.44 53.34 2tbd n ALA 107 Cb 0.24 -1.26 -0.14 0.00 0.00 0.00 0.00 19.45 18.29 2tbd n ALA 107 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2tbd n LEU 108 N -2.00 1.25 0.21 0.00 4.77 -0.32 -3.97 117.00 116.95 2tbd n LEU 108 Ca 0.01 0.38 0.11 0.00 -0.03 0.00 0.00 56.01 56.47 2tbd n LEU 108 Cb 0.10 -0.10 0.17 0.00 -2.33 0.00 0.00 43.42 41.25 2tbd n LEU 108 CO 0.11 0.49 0.77 0.71 -1.33 0.00 0.00 177.39 178.14 2tbd h THR 109 N 0.02 0.12 -3.32 -5.08 1.35 -0.23 -3.37 112.91 102.39 2tbd h THR 109 Ca -0.31 -1.15 -0.57 0.00 -0.55 0.00 0.00 66.41 63.83 2tbd h THR 109 Cb 2.02 2.04 -0.06 0.00 -1.73 0.00 0.00 68.15 70.42 2tbd h THR 109 CO 0.08 0.07 -0.02 -0.60 -0.25 0.00 0.00 175.52 174.80 2tbd s ARG 110 N -3.19 4.35 0.98 4.72 3.52 -0.92 -4.84 118.95 123.57 2tbd s ARG 110 Ca 0.06 0.71 -0.15 0.00 -0.13 0.00 0.00 55.73 56.22 2tbd s ARG 110 Cb 0.05 -3.39 -0.07 0.00 -1.56 0.00 0.00 34.95 29.99 2tbd s ARG 110 CO 0.68 0.25 -0.27 -0.25 -0.81 0.00 0.00 175.30 174.90 2tbd n ASP 111 N 3.20 -4.28 -0.19 -2.12 8.00 -1.26 -2.14 116.55 117.76 2tbd n ASP 111 Ca -0.05 0.25 0.00 0.00 0.71 0.00 0.00 54.79 55.69 2tbd n ASP 111 Cb 0.51 -0.96 0.00 0.00 -0.02 0.00 0.00 41.12 40.65 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 0.62 0.98 -2.66 -0.24 -0.04 -1.26 -5.04 135.00 127.37 2tbd n PRO 112 Ca 0.02 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 63.05 2tbd n PRO 112 Cb 0.55 -1.19 -0.02 0.00 -0.04 0.00 0.00 33.50 32.80 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 -1.62 3.21 0.69 0.54 0.08 -0.91 -4.87 117.98 115.10 2tbd s PHE 113 Ca 0.00 1.26 -0.04 0.00 0.12 0.00 0.00 56.93 58.27 2tbd s PHE 113 Cb 0.00 -3.55 0.08 0.00 -0.57 0.00 0.00 43.02 38.98 2tbd s PHE 113 CO 0.00 -0.68 0.97 -1.12 -0.10 0.00 0.00 175.22 174.30 2tbd s SER 114 N 1.52 4.67 -0.12 1.36 0.01 -0.76 -4.21 113.70 116.18 2tbd s SER 114 Ca 0.44 0.11 0.02 0.00 1.31 0.00 0.00 55.95 57.83 2tbd s SER 114 Cb -0.13 -0.70 0.01 0.00 0.21 0.00 0.00 66.02 65.41 2tbd s SER 114 CO 0.13 -1.64 -0.17 -0.69 0.41 0.00 0.00 173.24 171.28 2tbd s VAL 115 N -3.15 1.67 -0.03 3.43 1.01 -1.26 -2.42 120.40 119.65 2tbd s VAL 115 Ca 0.62 -0.74 -0.02 0.00 0.00 0.00 0.00 61.98 61.84 2tbd s VAL 115 Cb -0.09 -1.51 -0.01 0.00 0.00 0.00 0.00 36.38 34.77 2tbd s VAL 115 CO 0.44 0.47 -0.04 -0.38 0.00 0.00 0.00 175.10 175.59 2tbd n ILE 116 N 4.23 0.32 -4.09 2.22 5.41 -0.49 -4.91 119.36 122.05 2tbd n ILE 116 Ca -0.19 0.44 -0.13 0.00 1.00 0.00 0.00 62.75 63.86 2tbd n ILE 116 Cb 0.51 -1.70 -0.05 0.00 -0.71 0.00 0.00 39.64 37.69 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 -1.30 1.73 0.07 0.38 2.02 -1.02 -4.97 118.70 115.61 2tbd s GLU 117 Ca -0.04 -1.63 -0.27 0.00 0.02 0.00 0.00 54.97 53.05 2tbd s GLU 117 Cb 0.01 0.42 0.08 0.00 0.10 0.00 0.00 34.13 34.74 2tbd s GLU 117 CO 0.05 -0.70 1.01 -1.83 0.02 0.00 0.00 175.26 173.82 2tbd s GLU 118 N -3.44 0.94 0.03 1.61 -1.05 -1.26 -0.81 118.70 114.71 2tbd s GLU 118 Ca 0.30 -0.48 0.22 0.00 -0.15 0.00 0.00 54.97 54.86 2tbd s GLU 118 Cb 0.01 0.34 -0.26 0.00 -0.44 0.00 0.00 34.13 33.78 2tbd s GLU 118 CO 0.17 -0.43 0.62 0.43 0.95 0.00 0.00 175.26 177.00 2tbd n SER 119 N -0.41 0.21 -4.86 0.83 7.64 -0.96 -4.93 113.62 111.14 2tbd n SER 119 Ca -0.07 0.07 -0.31 0.00 1.01 0.00 0.00 58.87 59.57 2tbd n SER 119 Cb 0.61 1.62 -0.04 0.00 -1.01 0.00 0.00 64.21 65.38 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 -4.71 3.87 -1.53 -3.43 1.43 -1.26 -4.95 118.68 108.09 2tbd s LEU 120 Ca -0.06 1.28 -0.12 0.00 -1.03 0.00 0.00 54.13 54.20 2tbd s LEU 120 Cb 0.13 -4.15 -0.02 0.00 0.03 0.00 0.00 46.19 42.19 2tbd s LEU 120 CO 0.88 -0.38 2.55 -0.81 0.23 0.00 0.00 176.35 178.83 2tbd n PRO 121 N -1.05 3.24 0.00 1.29 -0.04 -1.26 -3.53 135.00 133.64 2tbd n PRO 121 Ca 0.04 -2.43 0.00 0.00 -0.04 0.00 0.00 63.50 61.06 2tbd n PRO 121 Cb 0.54 -3.07 0.00 0.00 -0.04 0.00 0.00 33.50 30.93 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 3.86 1.06 0.00 0.55 0.00 -1.26 -5.03 105.19 104.36 2tbd n GLY 122 Ca 0.64 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.66 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 -0.12 -1.63 3.86 -0.02 0.00 -1.23 -5.02 105.19 101.03 2tbd n GLY 123 Ca 0.00 -2.13 -0.30 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 2.29 0.00 0.99 1.43 -1.26 -4.82 118.68 117.31 2tbd s LEU 124 Ca 0.00 0.22 0.00 0.00 -1.03 0.00 0.00 54.13 53.32 2tbd s LEU 124 Cb 0.00 -2.10 0.00 0.00 0.03 0.00 0.00 46.19 44.12 2tbd s LEU 124 CO 0.00 -3.22 0.00 0.29 0.23 0.00 0.00 176.35 173.65 2tbd n LYS 125 N -4.08 -0.56 -0.18 1.70 4.76 -1.26 -4.95 118.16 113.59 2tbd n LYS 125 Ca 0.17 0.00 0.18 0.00 -2.87 0.00 0.00 58.31 55.78 2tbd n LYS 125 Cb 0.59 0.00 0.53 0.00 -1.84 0.00 0.00 35.03 34.31 2tbd n LYS 125 CO 0.00 0.00 0.00 1.49 -1.37 0.00 0.00 177.40 177.52 2tbd h GLU 126 N 0.00 0.35 -1.74 1.97 4.81 -1.97 -0.23 114.58 117.77 2tbd h GLU 126 Ca 0.00 -0.02 -0.31 0.00 -0.13 0.00 0.00 59.36 58.90 2tbd h GLU 126 Cb 0.00 -0.08 -0.12 0.00 0.63 0.00 0.00 28.75 29.18 2tbd h GLU 126 CO 0.00 0.23 0.28 -2.39 -0.73 0.00 0.00 179.01 176.41 2tbd n HIS 127 N -4.47 1.22 0.17 0.92 1.44 -1.26 -4.29 115.22 108.95 2tbd n HIS 127 Ca 0.16 -1.80 0.00 0.00 -2.01 0.00 0.00 57.72 54.07 2tbd n HIS 127 Cb 0.61 -1.06 0.00 0.00 0.12 0.00 0.00 29.99 29.66 2tbd n HIS 127 CO 0.00 0.00 0.00 -3.47 -2.81 0.00 0.00 176.34 170.06 2tbd n ASP 128 N 0.82 -3.01 -2.13 4.39 2.03 -0.15 -5.07 116.55 113.42 2tbd n ASP 128 Ca 0.32 0.65 0.00 0.00 0.52 0.00 0.00 54.79 56.27 2tbd n ASP 128 Cb 0.59 2.94 0.00 0.00 -0.72 0.00 0.00 41.12 43.93 2tbd n ASP 128 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 2tbd n PHE 129 N -3.17 -3.48 -3.76 -0.67 3.72 -0.85 -4.96 117.46 104.29 2tbd n PHE 129 Ca 0.00 0.00 -0.37 0.00 -0.05 0.00 0.00 57.45 57.03 2tbd n PHE 129 Cb 0.00 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 38.48 2tbd n PHE 129 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 176.76 175.91 2tbd s ASN 130 N -1.01 6.46 0.63 4.37 0.02 -1.26 -4.89 114.94 119.27 2tbd s ASN 130 Ca 0.00 0.55 -0.11 0.00 -1.02 0.00 0.00 52.86 52.28 2tbd s ASN 130 Cb 0.00 -2.12 -0.03 0.00 0.02 0.00 0.00 41.25 39.12 2tbd s ASN 130 CO 0.00 0.35 1.04 -2.16 0.02 0.00 0.00 177.10 176.34 2tbd s PRO 131 N -0.80 3.45 0.46 -0.60 0.04 -1.26 -5.03 135.00 131.26 2tbd s PRO 131 Ca 0.16 0.81 -0.22 0.00 0.04 0.00 0.00 61.00 61.80 2tbd s PRO 131 Cb -0.13 -2.06 -0.08 0.00 0.04 0.00 0.00 34.50 32.27 2tbd s PRO 131 CO 0.05 -0.69 1.05 -1.21 0.04 0.00 0.00 177.00 176.25 2tbd s GLU 132 N -5.08 3.91 -0.15 4.56 2.02 -1.26 -5.04 118.70 117.65 2tbd s GLU 132 Ca 0.56 1.45 -0.02 0.00 0.02 0.00 0.00 54.97 56.98 2tbd s GLU 132 Cb -0.12 -2.26 0.05 0.00 0.10 0.00 0.00 34.13 31.90 2tbd s GLU 132 CO 0.53 -0.36 0.01 -1.54 0.02 0.00 0.00 175.26 173.92 2tbd s SER 133 N -1.79 2.49 0.00 -0.19 1.04 -1.26 -5.32 113.70 108.67 2tbd s SER 133 Ca 0.64 -0.57 0.02 0.00 0.48 0.00 0.00 55.95 56.53 2tbd s SER 133 Cb -0.19 -0.61 0.02 0.00 0.10 0.00 0.00 66.02 65.34 2tbd s SER 133 CO 0.24 -0.25 0.58 -1.54 0.98 0.00 0.00 173.24 173.24