#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 -3.70 1.61 7.64 -1.26 -5.02 113.62 112.90 2tbd n SER 2 Ca 0.00 0.72 -0.05 0.00 1.01 0.00 0.00 58.87 60.55 2tbd n SER 2 Cb 0.00 -0.44 -0.02 0.00 -1.01 0.00 0.00 64.21 62.75 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 -1.94 1.18 0.30 1.43 2.20 -1.26 -5.13 119.74 116.52 2tbd s LYS 3 Ca 0.00 -0.61 -0.25 0.00 -0.36 0.00 0.00 55.97 54.75 2tbd s LYS 3 Cb 0.00 0.43 -0.15 0.00 -1.51 0.00 0.00 37.83 36.59 2tbd s LYS 3 CO 0.00 -0.53 0.48 1.55 -0.36 0.00 0.00 175.35 176.48 2tbd n VAL 4 N -0.42 1.62 -1.58 4.02 3.14 -1.26 -4.64 118.33 119.21 2tbd n VAL 4 Ca -0.07 -0.50 -0.51 0.00 -2.96 0.00 0.00 64.34 60.30 2tbd n VAL 4 Cb 0.61 -0.22 -0.06 0.00 -1.06 0.00 0.00 33.84 33.11 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 0.98 1.43 -3.16 1.45 1.02 -1.26 -4.90 120.64 116.20 2tbd n GLU 5 Ca 0.14 0.47 -0.39 0.00 -0.02 0.00 0.00 57.16 57.36 2tbd n GLU 5 Cb 0.32 -2.46 -0.05 0.00 -0.02 0.00 0.00 31.44 29.23 2tbd n GLU 5 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2tbd s ASP 6 N 5.66 6.85 0.01 1.62 1.01 -1.26 -5.03 116.67 125.52 2tbd s ASP 6 Ca 1.02 1.02 -0.30 0.00 0.71 0.00 0.00 52.55 55.00 2tbd s ASP 6 Cb -0.84 -2.36 -0.04 0.00 1.01 0.00 0.00 42.92 40.70 2tbd s ASP 6 CO 0.53 -0.08 1.05 -2.16 0.21 0.00 0.00 175.17 174.72 2tbd s PRO 7 N 0.80 4.52 0.00 8.23 0.04 -1.26 -4.93 135.00 142.39 2tbd s PRO 7 Ca 0.32 1.52 0.25 0.00 0.04 0.00 0.00 61.00 63.14 2tbd s PRO 7 Cb -0.17 -3.43 0.47 0.00 0.04 0.00 0.00 34.50 31.41 2tbd s PRO 7 CO 0.14 -0.12 1.39 1.17 0.04 0.00 0.00 177.00 179.62 2tbd n LYS 8 N 3.95 1.27 -3.70 4.56 3.00 -1.26 -4.88 118.16 121.10 2tbd n LYS 8 Ca 0.07 -0.91 -0.08 0.00 -0.00 0.00 0.00 58.31 57.38 2tbd n LYS 8 Cb 0.50 -1.48 -0.02 0.00 0.00 0.00 0.00 35.03 34.02 2tbd n LYS 8 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.40 177.56 2tbd s ASP 9 N -2.36 -0.35 1.02 3.14 1.47 -1.26 -4.88 116.67 113.44 2tbd s ASP 9 Ca 0.25 -0.39 -0.17 0.00 1.18 0.00 0.00 52.55 53.43 2tbd s ASP 9 Cb 0.19 0.66 0.01 0.00 -0.34 0.00 0.00 42.92 43.44 2tbd s ASP 9 CO 0.48 -1.17 -0.09 0.49 0.68 0.00 0.00 175.17 175.56 2tbd n PHE 10 N -0.43 -2.01 -1.70 2.11 3.72 -1.26 -4.94 117.46 112.96 2tbd n PHE 10 Ca -0.08 0.20 -0.31 0.00 -0.05 0.00 0.00 57.45 57.21 2tbd n PHE 10 Cb 0.61 -1.62 0.03 0.00 -0.94 0.00 0.00 39.48 37.56 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 -3.17 3.22 0.49 -1.08 0.04 -1.26 -4.91 135.00 128.33 2tbd s PRO 11 Ca 0.52 0.86 0.23 0.00 0.04 0.00 0.00 61.00 62.66 2tbd s PRO 11 Cb -0.15 -2.03 1.29 0.00 0.04 0.00 0.00 34.50 33.65 2tbd s PRO 11 CO 0.69 -0.87 2.03 0.66 0.04 0.00 0.00 177.00 179.55 2tbd h SER 12 N -0.55 0.00 0.20 6.66 4.64 -1.98 -1.56 113.55 120.96 2tbd h SER 12 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 2tbd h SER 12 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 2tbd h SER 12 CO 0.59 0.16 0.00 1.21 -0.87 0.00 0.00 176.83 177.92 2tbd n GLU 13 N -3.81 0.29 0.00 4.77 4.07 -1.26 -2.32 120.64 122.37 2tbd n GLU 13 Ca -0.02 0.11 0.00 0.00 -0.06 0.00 0.00 57.16 57.19 2tbd n GLU 13 Cb 0.26 -1.50 0.00 0.00 -0.06 0.00 0.00 31.44 30.14 2tbd n GLU 13 CO 0.00 0.00 0.00 1.28 -0.06 0.00 0.00 177.13 178.35 2tbd n LEU 14 N -1.21 0.45 -0.74 4.31 4.77 -0.61 -4.62 117.00 119.35 2tbd n LEU 14 Ca 0.08 -0.62 0.04 0.00 -0.03 0.00 0.00 56.01 55.48 2tbd n LEU 14 Cb 0.10 0.00 0.13 0.00 -2.33 0.00 0.00 43.42 41.32 2tbd n LEU 14 CO 0.11 0.11 0.55 0.18 -1.33 0.00 0.00 177.39 177.01 2tbd n LEU 15 N -0.34 2.05 0.01 2.23 4.77 -0.98 -3.72 117.00 121.02 2tbd n LEU 15 Ca 0.00 -1.03 0.13 0.00 -0.03 0.00 0.00 56.01 55.08 2tbd n LEU 15 Cb 0.03 -0.36 0.51 0.00 -2.33 0.00 0.00 43.42 41.27 2tbd n LEU 15 CO 0.00 0.38 0.82 -1.20 -1.33 0.00 0.00 177.39 176.06 2tbd n SER 16 N 0.27 0.19 -2.74 -1.43 7.64 -1.26 -4.28 113.62 112.01 2tbd n SER 16 Ca 0.10 0.31 -0.09 0.00 1.01 0.00 0.00 58.87 60.20 2tbd n SER 16 Cb 0.40 -0.32 0.09 0.00 -1.01 0.00 0.00 64.21 63.37 2tbd n SER 16 CO 0.00 0.00 0.00 2.22 -3.01 0.00 0.00 175.04 174.25 2tbd n PHE 17 N -1.57 -2.42 -3.64 1.43 1.16 -1.24 -5.09 117.46 106.09 2tbd n PHE 17 Ca 0.06 -2.18 0.00 0.00 -1.87 0.00 0.00 57.45 53.47 2tbd n PHE 17 Cb 0.35 1.44 0.00 0.00 -1.61 0.00 0.00 39.48 39.66 2tbd n PHE 17 CO 0.00 0.00 0.00 -0.11 -1.87 0.00 0.00 176.76 174.78 2tbd n LEU 18 N -0.00 0.00 -0.01 5.98 7.94 -1.26 -3.36 117.00 126.30 2tbd n LEU 18 Ca 0.04 0.00 0.07 0.00 -1.11 0.00 0.00 56.01 55.01 2tbd n LEU 18 Cb 0.76 0.00 -0.11 0.00 0.53 0.00 0.00 43.42 44.60 2tbd n LEU 18 CO 0.02 -0.07 -0.62 -0.24 -1.11 0.00 0.00 177.39 175.37 2tbd n SER 19 N -1.07 1.72 -2.06 1.96 2.88 -1.22 -4.18 113.62 111.65 2tbd n SER 19 Ca 0.00 -0.06 -0.07 0.00 -1.33 0.00 0.00 58.87 57.42 2tbd n SER 19 Cb 0.00 1.59 -0.01 0.00 -0.75 0.00 0.00 64.21 65.04 2tbd n SER 19 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 2tbd n HIS 20 N -1.94 -1.36 -3.78 0.66 8.25 -1.26 -4.87 115.22 110.91 2tbd n HIS 20 Ca -0.02 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.31 2tbd n HIS 20 Cb 0.35 -1.89 -0.09 0.00 1.12 0.00 0.00 29.99 29.48 2tbd n HIS 20 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2tbd s ALA 21 N -2.08 -0.68 -0.04 -1.41 0.00 -1.26 -5.06 121.76 111.23 2tbd s ALA 21 Ca 0.00 0.35 0.01 0.00 0.00 0.00 0.00 51.96 52.31 2tbd s ALA 21 Cb 0.00 -0.04 -0.03 0.00 0.00 0.00 0.00 23.12 23.05 2tbd s ALA 21 CO 0.00 -0.22 -0.03 0.28 0.00 0.00 0.00 175.76 175.79 2tbd n VAL 22 N 1.67 0.22 -1.55 0.00 0.31 -1.26 -4.28 118.33 113.43 2tbd n VAL 22 Ca -0.20 -0.09 -0.32 0.00 -0.01 0.00 0.00 64.34 63.71 2tbd n VAL 22 Cb 0.56 -0.69 0.02 0.00 -0.91 0.00 0.00 33.84 32.82 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 -2.51 2.48 -1.73 3.52 3.01 -1.26 -2.74 117.46 118.23 2tbd n PHE 23 Ca -0.06 -2.33 -0.34 0.00 1.01 0.00 0.00 57.45 55.74 2tbd n PHE 23 Cb 0.58 -1.27 0.05 0.00 -0.01 0.00 0.00 39.48 38.83 2tbd n PHE 23 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 2tbd s SER 24 N -0.69 4.94 -0.07 4.37 0.15 -1.26 -4.89 113.70 116.25 2tbd s SER 24 Ca 0.54 2.10 0.07 0.00 0.70 0.00 0.00 55.95 59.36 2tbd s SER 24 Cb 0.42 -2.56 0.31 0.00 -1.71 0.00 0.00 66.02 62.47 2tbd s SER 24 CO -0.23 -1.75 1.06 -3.20 1.20 0.00 0.00 173.24 170.33 2tbd n ASN 25 N -2.38 2.50 -4.38 5.45 2.85 -1.26 -4.84 115.26 113.19 2tbd n ASN 25 Ca 0.11 -2.26 -0.29 0.00 -0.11 0.00 0.00 54.58 52.03 2tbd n ASN 25 Cb 0.51 -0.46 -0.13 0.00 1.24 0.00 0.00 39.78 40.94 2tbd n ASN 25 CO 0.00 0.00 0.00 -0.13 -2.11 0.00 0.00 177.26 175.02 2tbd s ARG 26 N -1.67 1.54 -0.26 1.20 0.52 -1.26 -5.09 118.95 113.93 2tbd s ARG 26 Ca 0.21 -1.27 -0.29 0.00 -0.52 0.00 0.00 55.73 53.87 2tbd s ARG 26 Cb 0.15 -1.94 0.01 0.00 0.52 0.00 0.00 34.95 33.69 2tbd s ARG 26 CO 0.08 0.47 1.04 0.95 0.02 0.00 0.00 175.30 177.86 2tbd s THR 27 N -0.99 4.63 -0.16 0.02 -4.23 -1.26 -4.61 115.64 109.04 2tbd s THR 27 Ca 0.14 1.89 -0.03 0.00 -1.18 0.00 0.00 61.69 62.51 2tbd s THR 27 Cb -0.10 -4.33 -0.02 0.00 1.34 0.00 0.00 72.50 69.38 2tbd s THR 27 CO 0.05 -0.28 -0.07 -0.76 -0.54 0.00 0.00 174.62 173.02 2tbd s LEU 28 N 3.34 3.03 0.00 4.79 1.02 -1.19 -4.86 118.68 124.81 2tbd s LEU 28 Ca 0.44 -0.24 0.19 0.00 0.02 0.00 0.00 54.13 54.54 2tbd s LEU 28 Cb -0.14 -1.72 -0.17 0.00 0.02 0.00 0.00 46.19 44.18 2tbd s LEU 28 CO 0.09 0.13 0.83 0.00 0.02 0.00 0.00 176.35 177.43 2tbd n ALA 29 N 3.76 4.27 -2.63 4.21 0.00 -1.26 -3.69 120.51 125.18 2tbd n ALA 29 Ca -0.18 -0.55 -0.38 0.00 0.00 0.00 0.00 53.44 52.34 2tbd n ALA 29 Cb 0.52 -0.69 -0.10 0.00 0.00 0.00 0.00 19.45 19.19 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 1.55 1.99 -0.40 0.00 0.40 -1.01 -2.46 117.98 118.05 2tbd s PHE 31 Ca 0.11 -0.38 -0.00 0.00 -0.60 0.00 0.00 56.93 56.06 2tbd s PHE 31 Cb -0.15 -1.28 0.11 0.00 0.51 0.00 0.00 43.02 42.21 2tbd s PHE 31 CO 0.08 -0.03 0.17 0.00 0.70 0.00 0.00 175.22 176.14 2tbd s ALA 32 N -0.52 3.10 -0.17 5.36 0.00 -0.59 -2.41 121.76 126.52 2tbd s ALA 32 Ca 0.09 -2.60 -0.28 0.00 0.00 0.00 0.00 51.96 49.16 2tbd s ALA 32 Cb -0.09 -2.28 -0.00 0.00 0.00 0.00 0.00 23.12 20.75 2tbd s ALA 32 CO -0.01 -1.79 0.98 0.42 0.00 0.00 0.00 175.76 175.36 2tbd s ILE 33 N 0.96 4.77 -0.54 0.00 -1.09 -0.95 -2.67 121.20 121.68 2tbd s ILE 33 Ca 0.10 1.94 0.00 0.00 -2.23 0.00 0.00 60.65 60.46 2tbd s ILE 33 Cb -0.22 -4.27 0.14 0.00 -1.58 0.00 0.00 42.46 36.53 2tbd s ILE 33 CO -0.05 -0.06 0.32 -0.47 -1.23 0.00 0.00 174.94 173.44 2tbd s TYR 34 N 2.51 3.37 0.32 3.97 5.04 -0.39 -0.18 117.35 132.00 2tbd s TYR 34 Ca 0.44 -2.89 0.05 0.00 -2.44 0.00 0.00 57.07 52.23 2tbd s TYR 34 Cb -0.17 -3.04 -0.02 0.00 0.35 0.00 0.00 41.96 39.08 2tbd s TYR 34 CO 0.12 -0.82 0.31 0.95 -1.34 0.00 0.00 175.55 174.77 2tbd s THR 35 N 0.04 0.00 0.80 4.34 -4.23 -0.77 -0.63 115.64 115.19 2tbd s THR 35 Ca 0.16 -1.91 -0.14 0.00 -1.18 0.00 0.00 61.69 58.62 2tbd s THR 35 Cb -0.22 -2.53 0.05 0.00 1.34 0.00 0.00 72.50 71.13 2tbd s THR 35 CO -0.03 0.00 0.96 0.35 -0.54 0.00 0.00 174.62 175.37 2tbd n THR 36 N -0.59 1.80 -0.18 3.99 -2.24 -1.26 -1.26 114.28 114.54 2tbd n THR 36 Ca 0.06 -0.25 -0.01 0.00 -2.27 0.00 0.00 64.05 61.57 2tbd n THR 36 Cb 0.62 -1.03 0.22 0.00 -2.10 0.00 0.00 70.33 68.04 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 -0.84 0.92 0.00 -0.78 2.10 -1.89 -0.99 116.57 115.09 2tbd h LYS 37 Ca -0.46 -0.11 0.00 0.00 -2.00 0.00 0.00 60.65 58.08 2tbd h LYS 37 Cb 1.31 -0.18 0.00 0.00 -0.90 0.00 0.00 32.23 32.46 2tbd h LYS 37 CO 0.44 0.69 0.00 1.49 -2.00 0.00 0.00 179.45 180.07 2tbd h GLU 38 N 0.92 0.00 0.00 0.07 4.81 -1.99 -2.24 114.58 116.15 2tbd h GLU 38 Ca 0.23 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.43 2tbd h GLU 38 Cb 0.06 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.44 2tbd h GLU 38 CO -0.03 0.00 -0.60 -0.22 -0.73 0.00 0.00 179.01 177.43 2tbd h LYS 39 N 0.00 0.00 -1.00 1.92 3.64 -1.52 -3.36 116.57 116.25 2tbd h LYS 39 Ca 0.00 0.00 0.26 0.00 -1.27 0.00 0.00 60.65 59.64 2tbd h LYS 39 Cb 0.20 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 31.96 2tbd h LYS 39 CO 0.00 0.15 0.68 0.00 -2.27 0.00 0.00 179.45 178.01 2tbd h ALA 40 N -0.92 2.53 -0.47 5.00 0.00 -1.44 0.80 119.26 124.75 2tbd h ALA 40 Ca -0.05 0.01 0.09 0.00 0.00 0.00 0.00 54.91 54.96 2tbd h ALA 40 Cb 0.61 0.04 -0.08 0.00 0.00 0.00 0.00 17.79 18.35 2tbd h ALA 40 CO -0.03 -0.86 -0.06 0.00 0.00 0.00 0.00 179.25 178.30 2tbd h ALA 41 N 1.56 0.38 -0.14 0.00 0.00 -1.55 0.52 119.26 120.02 2tbd h ALA 41 Ca 0.52 0.16 -0.18 0.00 0.00 0.00 0.00 54.91 55.42 2tbd h ALA 41 Cb 1.61 0.31 -0.00 0.00 0.00 0.00 0.00 17.79 19.70 2tbd h ALA 41 CO -0.15 -0.42 -0.64 -0.07 0.00 0.00 0.00 179.25 177.97 2tbd h LEU 42 N 0.05 0.61 -0.46 0.00 3.38 -1.02 -2.55 115.31 115.31 2tbd h LEU 42 Ca 0.23 -0.36 0.00 0.00 0.09 0.00 0.00 57.88 57.84 2tbd h LEU 42 Cb 0.36 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.93 2tbd h LEU 42 CO -0.45 1.09 0.00 0.18 0.09 0.00 0.00 178.44 179.35 2tbd n LEU 43 N -3.91 0.37 -0.05 1.67 7.99 -0.19 -0.68 117.00 122.18 2tbd n LEU 43 Ca -0.04 0.60 -0.01 0.00 -0.01 0.00 0.00 56.01 56.55 2tbd n LEU 43 Cb 0.66 -0.57 -0.00 0.00 -0.11 0.00 0.00 43.42 43.40 2tbd n LEU 43 CO 0.48 -0.48 -0.08 0.22 -1.51 0.00 0.00 177.39 176.02 2tbd h TYR 44 N 0.00 0.00 0.00 -1.77 5.03 0.39 -2.45 116.97 118.17 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 0.26 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.54 2tbd h TYR 44 CO 0.00 0.00 0.00 -0.22 -1.32 0.00 0.00 178.16 176.62 2tbd h LYS 45 N -0.96 0.00 0.00 1.82 3.64 -1.51 -2.28 116.57 117.28 2tbd h LYS 45 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2tbd h LYS 45 Cb 0.11 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.93 2tbd h LYS 45 CO 0.00 0.00 -0.14 0.87 -2.27 0.00 0.00 179.45 177.91 2tbd h LYS 46 N 0.00 0.00 -0.21 1.90 1.57 -1.02 -3.33 116.57 115.48 2tbd h LYS 46 Ca 0.00 0.00 0.06 0.00 -1.87 0.00 0.00 60.65 58.84 2tbd h LYS 46 Cb 0.44 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.75 2tbd h LYS 46 CO 0.00 0.00 0.32 0.82 -0.57 0.00 0.00 179.45 180.02 2tbd h ILE 47 N -0.62 0.28 0.00 1.86 1.08 -1.51 -3.00 117.51 115.60 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 0.14 0.73 0.00 0.00 -3.07 0.00 0.00 36.82 34.62 2tbd h ILE 47 CO 0.00 0.00 0.00 0.23 -0.69 0.00 0.00 178.15 177.69 2tbd n MET 48 N -3.49 0.00 -0.11 2.37 2.81 -0.86 -1.18 117.12 116.66 2tbd n MET 48 Ca 0.03 0.51 0.03 0.00 -1.81 0.00 0.00 57.70 56.46 2tbd n MET 48 Cb 0.44 -1.00 0.08 0.00 -0.71 0.00 0.00 33.22 32.03 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 -1.07 1.49 -0.03 0.03 1.02 -1.21 -1.74 120.64 119.13 2tbd n GLU 49 Ca 0.00 -0.68 -0.09 0.00 -0.02 0.00 0.00 57.16 56.37 2tbd n GLU 49 Cb 0.00 -1.21 -0.14 0.00 -0.02 0.00 0.00 31.44 30.07 2tbd n GLU 49 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 2tbd n LYS 50 N 0.05 0.64 -0.24 3.49 4.81 -0.33 -4.50 118.16 122.09 2tbd n LYS 50 Ca 0.06 0.26 0.00 0.00 -0.87 0.00 0.00 58.31 57.76 2tbd n LYS 50 Cb 0.19 -1.76 0.00 0.00 0.02 0.00 0.00 35.03 33.49 2tbd n LYS 50 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 2tbd n TYR 51 N -3.01 0.00 -4.07 5.64 4.01 -0.47 -5.00 117.16 114.27 2tbd n TYR 51 Ca -0.19 -0.02 -0.28 0.00 -0.16 0.00 0.00 57.90 57.24 2tbd n TYR 51 Cb 1.07 -0.03 -0.04 0.00 -0.31 0.00 0.00 39.34 40.03 2tbd n TYR 51 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 2tbd n SER 52 N -0.03 -0.57 -2.73 7.72 2.88 -0.71 -3.91 113.62 116.27 2tbd n SER 52 Ca 0.00 -1.06 -0.38 0.00 -1.33 0.00 0.00 58.87 56.10 2tbd n SER 52 Cb 0.59 -2.72 -0.06 0.00 -0.75 0.00 0.00 64.21 61.28 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 -4.43 0.00 0.31 2.46 0.24 -1.21 -4.31 118.33 111.39 2tbd n VAL 53 Ca -0.25 0.00 0.10 0.00 -2.04 0.00 0.00 64.34 62.15 2tbd n VAL 53 Cb 0.66 -0.21 0.44 0.00 -1.47 0.00 0.00 33.84 33.26 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 1.92 1.04 -3.65 3.34 -1.04 -0.81 -4.70 114.28 110.39 2tbd n THR 54 Ca 0.16 0.40 -0.03 0.00 -2.04 0.00 0.00 64.05 62.54 2tbd n THR 54 Cb -0.01 -1.33 -0.07 0.00 -1.82 0.00 0.00 70.33 67.10 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 -3.30 -0.09 -0.27 -1.42 5.36 -1.26 -4.90 117.98 112.10 2tbd s PHE 55 Ca 0.02 0.22 -0.01 0.00 -0.96 0.00 0.00 56.93 56.20 2tbd s PHE 55 Cb 0.07 0.47 0.13 0.00 -0.34 0.00 0.00 43.02 43.36 2tbd s PHE 55 CO 0.28 -0.05 0.32 -1.50 -1.46 0.00 0.00 175.22 172.81 2tbd s ILE 56 N -0.03 -0.47 0.31 3.12 2.07 -1.24 -1.34 121.20 123.63 2tbd s ILE 56 Ca 0.07 -0.33 0.10 0.00 -1.41 0.00 0.00 60.65 59.08 2tbd s ILE 56 Cb -0.05 -0.92 -0.06 0.00 0.13 0.00 0.00 42.46 41.57 2tbd s ILE 56 CO -0.14 -0.34 -0.11 -0.94 -1.91 0.00 0.00 174.94 171.49 2tbd s SER 57 N 2.42 3.80 -0.20 4.50 1.04 -0.44 -3.25 113.70 121.57 2tbd s SER 57 Ca 0.10 -1.07 0.00 0.00 0.48 0.00 0.00 55.95 55.46 2tbd s SER 57 Cb -0.14 -0.39 0.05 0.00 0.10 0.00 0.00 66.02 65.64 2tbd s SER 57 CO -0.27 -0.10 -0.06 -0.13 0.98 0.00 0.00 173.24 173.66 2tbd s ARG 58 N -3.59 1.65 0.50 4.02 0.52 -0.18 -0.96 118.95 120.90 2tbd s ARG 58 Ca 0.32 -0.80 0.04 0.00 -0.52 0.00 0.00 55.73 54.76 2tbd s ARG 58 Cb -0.01 -2.37 -0.01 0.00 0.52 0.00 0.00 34.95 33.08 2tbd s ARG 58 CO 0.17 -0.51 0.15 -1.01 0.02 0.00 0.00 175.30 174.12 2tbd s HIS 59 N 1.48 1.93 0.11 -0.53 3.76 -1.08 -0.41 115.29 120.54 2tbd s HIS 59 Ca -0.03 -0.85 0.10 0.00 -0.15 0.00 0.00 55.06 54.13 2tbd s HIS 59 Cb -0.17 -1.76 -0.04 0.00 1.11 0.00 0.00 32.58 31.72 2tbd s HIS 59 CO -0.07 0.02 -0.27 -0.80 -0.85 0.00 0.00 174.74 172.78 2tbd s ASN 60 N -3.99 3.25 0.00 1.40 -0.87 -0.74 -1.28 114.94 112.70 2tbd s ASN 60 Ca 0.21 -0.71 0.00 0.00 -1.57 0.00 0.00 52.86 50.79 2tbd s ASN 60 Cb 0.01 -0.23 0.00 0.00 -0.02 0.00 0.00 41.25 41.01 2tbd s ASN 60 CO 0.12 0.19 0.00 -1.54 -2.57 0.00 0.00 177.10 173.30 2tbd n SER 61 N 1.13 0.00 0.00 -1.22 3.41 -0.59 -1.83 113.62 114.51 2tbd n SER 61 Ca -0.18 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.43 2tbd n SER 61 Cb 0.53 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.48 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 -0.34 0.00 0.00 7.33 4.02 -1.26 -4.77 117.16 122.14 2tbd n TYR 62 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 2tbd n TYR 62 Cb 0.00 0.19 0.00 0.00 -0.02 0.00 0.00 39.34 39.51 2tbd n TYR 62 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 2tbd n ASN 63 N -2.69 1.12 -3.24 7.72 3.02 -1.26 -5.09 115.26 114.85 2tbd n ASN 63 Ca 0.00 -0.26 -0.17 0.00 -0.03 0.00 0.00 54.58 54.12 2tbd n ASN 63 Cb 0.28 0.75 -0.06 0.00 -0.61 0.00 0.00 39.78 40.14 2tbd n ASN 63 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 2tbd s HIS 64 N -0.97 1.38 0.35 3.10 3.76 -1.26 -4.86 115.29 116.78 2tbd s HIS 64 Ca 0.00 -1.47 0.08 0.00 -0.15 0.00 0.00 55.06 53.52 2tbd s HIS 64 Cb 0.00 -0.34 -0.04 0.00 1.11 0.00 0.00 32.58 33.31 2tbd s HIS 64 CO 0.00 -1.05 0.20 -0.80 -0.85 0.00 0.00 174.74 172.25 2tbd s ASN 65 N -3.30 4.88 -0.24 1.40 0.01 -0.39 -1.55 114.94 115.74 2tbd s ASN 65 Ca 0.35 -0.70 0.02 0.00 -0.71 0.00 0.00 52.86 51.82 2tbd s ASN 65 Cb 0.01 -0.79 0.06 0.00 0.41 0.00 0.00 41.25 40.94 2tbd s ASN 65 CO 0.24 -0.34 -0.10 -0.63 -1.51 0.00 0.00 177.10 174.76 2tbd s ILE 66 N -2.40 1.91 -0.76 0.60 1.09 -0.41 -1.85 121.20 119.39 2tbd s ILE 66 Ca 0.39 -1.42 -0.25 0.00 -1.10 0.00 0.00 60.65 58.27 2tbd s ILE 66 Cb -0.03 -2.06 0.04 0.00 -1.06 0.00 0.00 42.46 39.35 2tbd s ILE 66 CO 0.24 -0.01 1.23 -0.22 -0.10 0.00 0.00 174.94 176.08 2tbd s LEU 67 N 1.23 3.49 -0.45 2.97 2.96 0.74 -2.64 118.68 126.98 2tbd s LEU 67 Ca -0.07 -0.70 -0.29 0.00 -0.22 0.00 0.00 54.13 52.85 2tbd s LEU 67 Cb -0.19 -2.53 0.02 0.00 0.50 0.00 0.00 46.19 44.00 2tbd s LEU 67 CO -0.06 -1.71 1.21 0.12 -1.32 0.00 0.00 176.35 174.59 2tbd s PHE 68 N 5.24 2.73 -0.08 5.38 5.36 -0.14 -2.23 117.98 134.24 2tbd s PHE 68 Ca 0.33 0.74 -0.01 0.00 -0.96 0.00 0.00 56.93 57.03 2tbd s PHE 68 Cb -0.09 -4.35 0.03 0.00 -0.34 0.00 0.00 43.02 38.27 2tbd s PHE 68 CO 0.11 -1.43 -0.02 -0.59 -1.46 0.00 0.00 175.22 171.82 2tbd s PHE 69 N 4.65 0.92 0.68 10.12 -0.71 -1.01 -1.32 117.98 131.30 2tbd s PHE 69 Ca 0.51 -0.34 -0.01 0.00 -1.04 0.00 0.00 56.93 56.06 2tbd s PHE 69 Cb -0.09 -0.93 0.10 0.00 -1.21 0.00 0.00 43.02 40.89 2tbd s PHE 69 CO 0.31 -0.38 0.94 -1.17 -1.34 0.00 0.00 175.22 173.58 2tbd s LEU 70 N 1.86 3.04 0.03 -1.99 2.96 -0.45 -2.40 118.68 121.72 2tbd s LEU 70 Ca 0.04 -0.22 -0.08 0.00 -0.22 0.00 0.00 54.13 53.66 2tbd s LEU 70 Cb -0.12 -2.28 -0.00 0.00 0.50 0.00 0.00 46.19 44.28 2tbd s LEU 70 CO -0.06 -1.67 0.14 0.42 -1.32 0.00 0.00 176.35 173.87 2tbd s THR 71 N -3.06 0.11 0.00 3.68 -4.23 -0.02 -1.93 115.64 110.19 2tbd s THR 71 Ca 0.64 -0.89 0.00 0.00 -1.18 0.00 0.00 61.69 60.26 2tbd s THR 71 Cb -0.07 -0.74 0.00 0.00 1.34 0.00 0.00 72.50 73.03 2tbd s THR 71 CO 0.43 -0.49 0.00 -0.81 -0.54 0.00 0.00 174.62 173.21 2tbd n PRO 72 N 0.97 0.00 -1.55 3.99 -0.04 -1.25 -4.55 135.00 132.57 2tbd n PRO 72 Ca -0.20 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.11 2tbd n PRO 72 Cb 0.58 -0.21 -0.09 0.00 -0.04 0.00 0.00 33.50 33.73 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 -0.22 1.01 -1.14 0.54 1.44 -1.26 -4.83 115.22 110.75 2tbd n HIS 73 Ca 0.00 -0.02 -0.37 0.00 -2.01 0.00 0.00 57.72 55.32 2tbd n HIS 73 Cb 0.00 -2.33 -0.01 0.00 0.12 0.00 0.00 29.99 27.78 2tbd n HIS 73 CO 0.00 0.00 0.00 2.89 -2.81 0.00 0.00 176.34 176.42 2tbd n ARG 74 N 8.35 0.00 -3.85 -1.40 1.85 -1.26 -4.99 116.66 115.36 2tbd n ARG 74 Ca 0.50 0.00 -0.12 0.00 -1.00 0.00 0.00 57.85 57.23 2tbd n ARG 74 Cb 0.39 -0.87 -0.12 0.00 -1.05 0.00 0.00 32.46 30.81 2tbd n ARG 74 CO 0.00 0.00 0.00 -3.38 -0.01 0.00 0.00 177.63 174.24 2tbd s HIS 75 N -1.39 -0.07 0.09 2.89 -3.43 -1.24 -4.98 115.29 107.16 2tbd s HIS 75 Ca 0.52 0.17 -0.35 0.00 -0.80 0.00 0.00 55.06 54.60 2tbd s HIS 75 Cb -0.59 0.01 -0.15 0.00 -1.43 0.00 0.00 32.58 30.42 2tbd s HIS 75 CO 0.54 -0.13 1.54 0.54 -2.00 0.00 0.00 174.74 175.23 2tbd n ARG 76 N 2.53 1.79 0.08 -0.38 1.74 -1.26 -3.15 116.66 118.00 2tbd n ARG 76 Ca -0.16 0.65 0.07 0.00 -0.77 0.00 0.00 57.85 57.64 2tbd n ARG 76 Cb 0.58 -2.38 0.33 0.00 -1.02 0.00 0.00 32.46 29.97 2tbd n ARG 76 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 2tbd n VAL 77 N 3.38 1.32 0.08 1.55 0.31 -1.25 -0.26 118.33 123.46 2tbd n VAL 77 Ca 0.18 0.50 -0.11 0.00 -0.01 0.00 0.00 64.34 64.90 2tbd n VAL 77 Cb 0.25 -1.45 -0.10 0.00 -0.91 0.00 0.00 33.84 31.63 2tbd n VAL 77 CO 0.00 0.00 0.00 -1.28 -1.32 0.00 0.00 176.83 174.23 2tbd h SER 78 N 0.00 0.23 0.23 4.52 0.87 -1.80 -2.19 113.55 115.41 2tbd h SER 78 Ca 0.00 -0.23 -0.01 0.00 -1.23 0.00 0.00 61.79 60.32 2tbd h SER 78 Cb 0.10 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 61.99 2tbd h SER 78 CO 0.00 1.15 -0.11 0.00 -0.53 0.00 0.00 176.83 177.34 2tbd h ALA 79 N 0.82 -0.31 0.00 6.23 0.00 -0.93 -2.63 119.26 122.44 2tbd h ALA 79 Ca -0.07 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.65 2tbd h ALA 79 Cb 1.80 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 19.70 2tbd h ALA 79 CO 0.16 -0.56 -0.22 0.82 0.00 0.00 0.00 179.25 179.44 2tbd h ILE 80 N -0.54 1.11 -0.58 0.00 2.04 -1.59 -1.05 117.51 116.89 2tbd h ILE 80 Ca -0.03 -0.78 0.17 0.00 1.00 0.00 0.00 64.86 65.22 2tbd h ILE 80 Cb 0.40 1.42 -0.02 0.00 -0.74 0.00 0.00 36.82 37.88 2tbd h ILE 80 CO 0.05 0.22 0.61 -1.13 0.00 0.00 0.00 178.15 177.90 2tbd h ASN 81 N 0.00 0.00 -0.17 1.72 -1.24 -1.00 0.64 115.58 115.53 2tbd h ASN 81 Ca -0.00 0.00 -0.11 0.00 0.71 0.00 0.00 56.30 56.90 2tbd h ASN 81 Cb 0.41 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.46 2tbd h ASN 81 CO 0.03 0.00 -0.31 -0.55 -1.29 0.00 0.00 177.43 175.31 2tbd h ASN 82 N 0.00 0.57 0.83 1.15 -1.07 -1.17 -0.35 115.58 115.53 2tbd h ASN 82 Ca 0.28 -0.54 -0.04 0.00 0.07 0.00 0.00 56.30 56.06 2tbd h ASN 82 Cb 1.49 -0.16 0.01 0.00 -2.07 0.00 0.00 38.32 37.59 2tbd h ASN 82 CO -0.00 1.00 -0.40 0.22 0.07 0.00 0.00 177.43 178.32 2tbd h TYR 83 N 0.15 -1.03 -0.81 4.14 3.20 0.16 -0.87 116.97 121.91 2tbd h TYR 83 Ca 0.01 -0.02 0.18 0.00 3.14 0.00 0.00 58.73 62.03 2tbd h TYR 83 Cb 0.90 0.34 -0.05 0.00 1.54 0.00 0.00 36.73 39.46 2tbd h TYR 83 CO 0.09 -0.64 0.54 0.00 -1.64 0.00 0.00 178.16 176.51 2tbd h ALA 84 N -1.39 2.21 -0.56 1.82 0.00 -1.43 0.22 119.26 120.13 2tbd h ALA 84 Ca -0.11 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.73 2tbd h ALA 84 Cb 0.85 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 2tbd h ALA 84 CO 0.19 -0.45 0.08 0.37 0.00 0.00 0.00 179.25 179.44 2tbd h GLN 85 N 0.37 0.91 0.00 0.00 5.75 -0.64 -0.85 115.11 120.65 2tbd h GLN 85 Ca 0.40 -0.23 0.00 0.00 -0.15 0.00 0.00 58.65 58.68 2tbd h GLN 85 Cb 1.03 -0.12 0.00 0.00 1.07 0.00 0.00 27.48 29.46 2tbd h GLN 85 CO -0.13 0.86 0.17 0.87 -2.65 0.00 0.00 178.83 177.95 2tbd h LYS 86 N 0.86 0.00 -1.12 1.69 6.56 0.87 0.52 116.57 125.95 2tbd h LYS 86 Ca 0.17 0.00 -0.61 0.00 -1.06 0.00 0.00 60.65 59.16 2tbd h LYS 86 Cb 0.40 0.00 -0.26 0.00 -0.57 0.00 0.00 32.23 31.80 2tbd h LYS 86 CO 0.01 0.00 0.78 1.28 -2.06 0.00 0.00 179.45 179.47 2tbd n LEU 87 N -2.95 7.46 -0.59 2.94 4.77 -0.32 -4.34 117.00 123.97 2tbd n LEU 87 Ca -0.02 -4.09 0.05 0.00 -0.03 0.00 0.00 56.01 51.92 2tbd n LEU 87 Cb 0.23 -1.00 0.19 0.00 -2.33 0.00 0.00 43.42 40.51 2tbd n LEU 87 CO 0.16 1.42 0.52 0.00 -1.33 0.00 0.00 177.39 178.16 2tbd n THR 89 N -1.16 1.76 -1.92 0.00 5.66 -1.26 -4.50 114.28 112.86 2tbd n THR 89 Ca 0.21 -1.49 0.00 0.00 -3.05 0.00 0.00 64.05 59.72 2tbd n THR 89 Cb 0.76 0.06 0.00 0.00 -1.55 0.00 0.00 70.33 69.61 2tbd n THR 89 CO 0.00 0.00 0.00 2.22 -3.05 0.00 0.00 175.07 174.24 2tbd n PHE 90 N -0.02 0.00 0.00 1.09 -1.74 -1.26 -5.12 117.46 110.41 2tbd n PHE 90 Ca 0.18 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 57.07 2tbd n PHE 90 Cb 0.71 0.13 0.00 0.00 1.52 0.00 0.00 39.48 41.84 2tbd n PHE 90 CO 0.00 0.00 0.00 0.45 -0.56 0.00 0.00 176.76 176.65 2tbd n SER 91 N 0.00 0.00 -4.26 5.98 2.88 -1.26 -5.05 113.62 111.90 2tbd n SER 91 Ca 0.00 0.00 -0.30 0.00 -1.33 0.00 0.00 58.87 57.24 2tbd n SER 91 Cb 0.56 0.00 0.22 0.00 -0.75 0.00 0.00 64.21 64.24 2tbd n SER 91 CO 0.00 0.00 0.00 2.22 -1.23 0.00 0.00 175.04 176.03 2tbd n PHE 92 N -0.79 -1.60 -3.64 0.66 1.16 -1.26 -4.60 117.46 107.39 2tbd n PHE 92 Ca 0.00 -0.06 -0.09 0.00 -1.87 0.00 0.00 57.45 55.43 2tbd n PHE 92 Cb 0.00 -1.58 -0.07 0.00 -1.61 0.00 0.00 39.48 36.22 2tbd n PHE 92 CO 0.00 0.00 0.00 -1.17 -1.87 0.00 0.00 176.76 173.72 2tbd s LEU 93 N -4.03 -0.82 -0.57 5.98 0.20 -1.26 -4.49 118.68 113.69 2tbd s LEU 93 Ca 0.61 1.41 0.07 0.00 0.69 0.00 0.00 54.13 56.91 2tbd s LEU 93 Cb -0.17 2.34 0.25 0.00 -0.43 0.00 0.00 46.19 48.19 2tbd s LEU 93 CO 0.64 -0.23 0.70 -0.38 -0.29 0.00 0.00 176.35 176.79 2tbd n ILE 94 N 3.59 1.60 -2.95 6.68 -0.00 0.20 -4.99 119.36 123.49 2tbd n ILE 94 Ca -0.17 -4.93 -0.42 0.00 -0.00 0.00 0.00 62.75 57.23 2tbd n ILE 94 Cb 0.57 -2.02 -0.05 0.00 -0.00 0.00 0.00 39.64 38.15 2tbd n ILE 94 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 2tbd n LYS 96 N 6.30 0.33 -3.83 0.00 3.00 -1.09 -4.93 118.16 117.94 2tbd n LYS 96 Ca 0.03 -0.08 -0.21 0.00 -0.00 0.00 0.00 58.31 58.05 2tbd n LYS 96 Cb 0.48 0.06 -0.04 0.00 0.00 0.00 0.00 35.03 35.53 2tbd n LYS 96 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 2tbd s GLY 97 N -1.06 1.85 -0.05 3.14 0.00 -1.26 -1.55 107.32 108.40 2tbd s GLY 97 Ca 0.01 -1.72 0.04 0.00 0.00 0.00 0.00 44.72 43.05 2tbd s GLY 97 CO 0.01 -1.63 -0.15 0.14 0.00 0.00 0.00 173.10 171.47 2tbd s VAL 98 N -2.35 1.30 -0.10 1.40 1.01 -1.03 -3.39 120.40 117.24 2tbd s VAL 98 Ca 0.41 -0.62 -0.06 0.00 0.00 0.00 0.00 61.98 61.71 2tbd s VAL 98 Cb -0.05 -1.14 -0.05 0.00 0.00 0.00 0.00 36.38 35.15 2tbd s VAL 98 CO 0.26 0.38 0.17 0.78 0.00 0.00 0.00 175.10 176.69 2tbd h ASN 99 N 6.47 -0.02 -2.97 3.32 2.35 -1.73 -3.42 115.58 119.59 2tbd h ASN 99 Ca -0.32 -0.18 -0.69 0.00 -0.55 0.00 0.00 56.30 54.57 2tbd h ASN 99 Cb 1.18 0.00 -0.19 0.00 0.05 0.00 0.00 38.32 39.37 2tbd h ASN 99 CO 0.48 0.57 0.15 -0.54 -1.65 0.00 0.00 177.43 176.44 2tbd s LYS 100 N -1.75 3.08 0.00 0.81 1.02 -1.21 -4.95 119.74 116.73 2tbd s LYS 100 Ca -0.04 -1.13 0.00 0.00 0.02 0.00 0.00 55.97 54.82 2tbd s LYS 100 Cb -0.00 -4.21 0.00 0.00 -0.52 0.00 0.00 37.83 33.09 2tbd s LYS 100 CO 0.13 -1.49 0.38 0.39 -0.92 0.00 0.00 175.35 173.85 2tbd n GLU 101 N 6.46 0.00 -0.65 1.68 1.02 -1.26 -1.78 120.64 126.11 2tbd n GLU 101 Ca -0.08 0.23 0.50 0.00 -0.02 0.00 0.00 57.16 57.80 2tbd n GLU 101 Cb 0.44 -0.99 0.77 0.00 -0.02 0.00 0.00 31.44 31.63 2tbd n GLU 101 CO 0.00 0.00 0.00 0.98 1.18 0.00 0.00 177.13 179.29 2tbd n TYR 102 N -1.20 0.00 0.07 -0.32 4.19 -1.26 -0.99 117.16 117.64 2tbd n TYR 102 Ca 0.00 0.00 -0.04 0.00 3.31 0.00 0.00 57.90 61.17 2tbd n TYR 102 Cb 0.00 -0.46 -0.02 0.00 0.49 0.00 0.00 39.34 39.35 2tbd n TYR 102 CO 0.00 0.00 0.00 1.25 0.91 0.00 0.00 176.86 179.02 2tbd h LEU 103 N 0.00 -0.20 -0.95 2.98 7.12 -1.96 -1.53 115.31 120.77 2tbd h LEU 103 Ca 0.88 0.01 0.29 0.00 0.13 0.00 0.00 57.88 59.19 2tbd h LEU 103 Cb 3.65 0.05 -0.17 0.00 -0.53 0.00 0.00 40.66 43.66 2tbd h LEU 103 CO -0.01 0.08 0.24 -0.03 -0.13 0.00 0.00 178.44 178.59 2tbd h MET 104 N -0.68 0.10 -0.11 1.25 4.05 -0.24 0.33 114.93 119.62 2tbd h MET 104 Ca -0.02 -0.01 -0.03 0.00 -0.28 0.00 0.00 59.70 59.36 2tbd h MET 104 Cb 0.18 -0.02 -0.00 0.00 -0.80 0.00 0.00 31.60 30.95 2tbd h MET 104 CO 0.04 0.06 -0.06 -0.92 0.23 0.00 0.00 176.91 176.26 2tbd h TYR 105 N 0.10 0.28 -0.01 1.39 5.03 -1.52 -1.53 116.97 120.70 2tbd h TYR 105 Ca 0.64 -0.07 0.02 0.00 2.58 0.00 0.00 58.73 61.90 2tbd h TYR 105 Cb 1.42 -0.06 -0.05 0.00 1.55 0.00 0.00 36.73 39.58 2tbd h TYR 105 CO -0.29 0.59 -0.47 0.77 -1.32 0.00 0.00 178.16 177.45 2tbd h SER 106 N -0.11 -1.45 0.03 -2.11 0.02 0.70 0.27 113.55 110.90 2tbd h SER 106 Ca 0.03 0.16 -0.00 0.00 -0.84 0.00 0.00 61.79 61.14 2tbd h SER 106 Cb 0.52 0.55 -0.00 0.00 0.14 0.00 0.00 62.40 63.61 2tbd h SER 106 CO 0.02 -0.45 -0.01 0.00 -1.14 0.00 0.00 176.83 175.25 2tbd h ALA 107 N -0.56 1.33 0.00 3.77 0.00 -1.32 -0.32 119.26 122.16 2tbd h ALA 107 Ca 0.01 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.80 2tbd h ALA 107 Cb 0.62 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 2tbd h ALA 107 CO -0.32 0.01 -0.56 -0.07 0.00 0.00 0.00 179.25 178.31 2tbd h LEU 108 N 0.00 0.00 0.00 0.00 3.38 0.52 -3.13 115.31 116.08 2tbd h LEU 108 Ca -0.00 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.71 2tbd h LEU 108 Cb 0.03 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.73 2tbd h LEU 108 CO 0.00 0.56 -1.40 0.71 0.09 0.00 0.00 178.44 178.40 2tbd h THR 109 N 0.00 1.23 -3.35 0.22 1.35 0.74 -3.33 112.91 109.77 2tbd h THR 109 Ca -0.01 -3.02 -0.56 0.00 -0.55 0.00 0.00 66.41 62.28 2tbd h THR 109 Cb 1.09 2.61 -0.04 0.00 -1.73 0.00 0.00 68.15 70.08 2tbd h THR 109 CO 0.07 0.70 0.06 -0.13 -0.25 0.00 0.00 175.52 175.97 2tbd s ARG 110 N -2.65 4.38 0.90 4.72 0.52 -0.84 -4.70 118.95 121.27 2tbd s ARG 110 Ca -0.02 0.88 -0.16 0.00 -0.52 0.00 0.00 55.73 55.91 2tbd s ARG 110 Cb 0.09 -3.32 -0.10 0.00 0.52 0.00 0.00 34.95 32.14 2tbd s ARG 110 CO 0.82 0.42 -0.35 -0.25 0.02 0.00 0.00 175.30 175.96 2tbd n ASP 111 N 2.40 -4.51 -0.15 0.23 8.00 -1.26 -2.07 116.55 119.19 2tbd n ASP 111 Ca -0.06 0.31 0.00 0.00 0.71 0.00 0.00 54.79 55.75 2tbd n ASP 111 Cb 0.50 -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 1.23 1.00 -2.99 -0.24 -0.04 -1.26 -5.01 135.00 127.69 2tbd n PRO 112 Ca 0.02 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.06 2tbd n PRO 112 Cb 0.54 -1.15 -0.05 0.00 -0.04 0.00 0.00 33.50 32.79 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 -1.70 3.19 0.72 0.54 0.08 -0.88 -4.77 117.98 115.15 2tbd s PHE 113 Ca 0.00 0.70 -0.02 0.00 0.12 0.00 0.00 56.93 57.73 2tbd s PHE 113 Cb 0.00 -3.20 0.12 0.00 -0.57 0.00 0.00 43.02 39.37 2tbd s PHE 113 CO 0.00 -0.58 1.00 -1.12 -0.10 0.00 0.00 175.22 174.42 2tbd s SER 114 N 1.67 4.40 0.16 1.36 0.01 -0.76 -3.89 113.70 116.64 2tbd s SER 114 Ca 0.30 -0.19 0.11 0.00 1.31 0.00 0.00 55.95 57.49 2tbd s SER 114 Cb -0.14 -0.25 -0.04 0.00 0.21 0.00 0.00 66.02 65.79 2tbd s SER 114 CO 0.13 -1.83 -0.25 -0.69 0.41 0.00 0.00 173.24 171.01 2tbd s VAL 115 N -3.17 2.32 0.00 3.43 1.01 -1.26 -1.79 120.40 120.95 2tbd s VAL 115 Ca 0.65 -1.88 -0.00 0.00 0.00 0.00 0.00 61.98 60.75 2tbd s VAL 115 Cb -0.06 -2.07 -0.00 0.00 0.00 0.00 0.00 36.38 34.25 2tbd s VAL 115 CO 0.44 -0.01 -0.00 -0.38 0.00 0.00 0.00 175.10 175.15 2tbd n ILE 116 N 0.60 0.08 -3.67 2.22 5.41 0.45 -4.79 119.36 119.65 2tbd n ILE 116 Ca -0.15 0.08 -0.11 0.00 1.00 0.00 0.00 62.75 63.57 2tbd n ILE 116 Cb 0.54 -1.10 -0.09 0.00 -0.71 0.00 0.00 39.64 38.28 2tbd n ILE 116 CO 0.00 0.00 0.00 -0.70 0.00 0.00 0.00 176.55 175.85 2tbd s GLU 117 N -1.07 0.61 0.01 0.38 2.12 -1.03 -4.99 118.70 114.73 2tbd s GLU 117 Ca -0.00 0.92 0.01 0.00 0.36 0.00 0.00 54.97 56.25 2tbd s GLU 117 Cb 0.00 0.18 -0.01 0.00 0.26 0.00 0.00 34.13 34.56 2tbd s GLU 117 CO 0.00 -0.12 -0.03 -1.83 -0.54 0.00 0.00 175.26 172.74 2tbd s GLU 118 N 0.97 0.26 0.00 4.30 1.03 -1.26 -1.01 118.70 122.99 2tbd s GLU 118 Ca -0.05 -0.36 0.29 0.00 0.03 0.00 0.00 54.97 54.87 2tbd s GLU 118 Cb -0.05 -0.08 1.22 0.00 -0.80 0.00 0.00 34.13 34.41 2tbd s GLU 118 CO -0.09 0.01 1.85 0.45 -1.33 0.00 0.00 175.26 176.16 2tbd n SER 119 N 2.30 0.45 -3.86 0.83 2.88 -1.20 -4.67 113.62 110.35 2tbd n SER 119 Ca -0.18 -0.54 -0.26 0.00 -1.33 0.00 0.00 58.87 56.56 2tbd n SER 119 Cb 0.57 -0.08 -0.17 0.00 -0.75 0.00 0.00 64.21 63.78 2tbd n SER 119 CO 0.00 0.00 0.00 -0.22 -1.23 0.00 0.00 175.04 173.59 2tbd s LEU 120 N -2.50 1.15 0.16 2.46 2.96 -1.26 -5.02 118.68 116.63 2tbd s LEU 120 Ca 0.28 -0.36 -0.30 0.00 -0.22 0.00 0.00 54.13 53.53 2tbd s LEU 120 Cb 0.20 -0.76 -0.07 0.00 0.50 0.00 0.00 46.19 46.06 2tbd s LEU 120 CO 0.48 -0.16 1.04 -2.16 -1.32 0.00 0.00 176.35 174.23 2tbd s PRO 121 N 1.76 4.65 0.00 0.98 0.04 -1.26 -3.53 135.00 137.64 2tbd s PRO 121 Ca 0.04 1.61 0.00 0.00 0.04 0.00 0.00 61.00 62.69 2tbd s PRO 121 Cb -0.13 -3.31 0.00 0.00 0.04 0.00 0.00 34.50 31.10 2tbd s PRO 121 CO -0.07 0.15 0.00 0.41 0.04 0.00 0.00 177.00 177.53 2tbd n GLY 122 N 2.07 2.99 0.98 0.56 0.00 -1.26 -4.91 105.19 105.62 2tbd n GLY 122 Ca 0.02 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.34 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 0.00 1.04 3.46 -0.02 0.00 -1.23 -4.90 105.19 103.54 2tbd n GLY 123 Ca 0.00 -0.78 -0.32 0.00 0.00 0.00 0.00 46.02 44.92 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 2.65 0.00 0.99 1.43 -1.26 -5.00 118.68 117.48 2tbd s LEU 124 Ca 0.00 -0.33 0.01 0.00 -1.03 0.00 0.00 54.13 52.78 2tbd s LEU 124 Cb 0.00 -1.54 0.01 0.00 0.03 0.00 0.00 46.19 44.68 2tbd s LEU 124 CO 0.00 0.29 0.05 0.29 0.23 0.00 0.00 176.35 177.22 2tbd n LYS 125 N 1.89 1.42 0.10 1.70 4.01 -1.26 -4.93 118.16 121.09 2tbd n LYS 125 Ca -0.16 -0.51 0.12 0.00 -0.51 0.00 0.00 58.31 57.24 2tbd n LYS 125 Cb 0.52 0.07 0.00 0.00 -0.51 0.00 0.00 35.03 35.11 2tbd n LYS 125 CO 0.00 0.00 0.00 -0.85 -1.11 0.00 0.00 177.40 175.44 2tbd n GLU 126 N -0.64 0.59 -0.01 1.97 0.28 -1.26 -2.34 120.64 119.23 2tbd n GLU 126 Ca -0.01 0.12 -0.16 0.00 -0.16 0.00 0.00 57.16 56.95 2tbd n GLU 126 Cb 0.09 -1.82 -0.12 0.00 1.43 0.00 0.00 31.44 31.02 2tbd n GLU 126 CO 0.00 0.00 0.00 1.12 -0.16 0.00 0.00 177.13 178.09 2tbd h HIS 127 N 0.00 0.33 0.00 -1.84 2.07 -2.02 -3.30 115.15 110.39 2tbd h HIS 127 Ca 0.00 -0.20 -0.11 0.00 -2.85 0.00 0.00 60.37 57.21 2tbd h HIS 127 Cb 0.99 -0.03 -0.02 0.00 2.57 0.00 0.00 27.41 30.92 2tbd h HIS 127 CO 0.00 1.07 -0.58 -0.44 -3.07 0.00 0.00 177.93 174.91 2tbd h ASP 128 N -0.49 0.00 -3.62 3.10 5.19 -1.98 -3.46 116.42 115.15 2tbd h ASP 128 Ca -0.06 0.00 -0.21 0.00 -0.62 0.00 0.00 57.03 56.14 2tbd h ASP 128 Cb 1.20 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 40.67 2tbd h ASP 128 CO 0.08 0.49 -0.15 0.49 -3.12 0.00 0.00 179.24 177.03 2tbd n PHE 129 N -3.19 0.36 -3.19 4.55 3.01 -0.99 -4.97 117.46 113.04 2tbd n PHE 129 Ca 0.01 -0.79 -0.21 0.00 1.01 0.00 0.00 57.45 57.46 2tbd n PHE 129 Cb 0.74 -0.10 -0.05 0.00 -0.01 0.00 0.00 39.48 40.06 2tbd n PHE 129 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 2tbd n ASN 130 N -1.14 0.62 -3.64 4.37 4.05 -1.26 -4.48 115.26 113.79 2tbd n ASN 130 Ca -0.06 -2.87 -0.41 0.00 0.45 0.00 0.00 54.58 51.69 2tbd n ASN 130 Cb 0.20 -0.63 -0.01 0.00 1.23 0.00 0.00 39.78 40.57 2tbd n ASN 130 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 177.26 173.40 2tbd n PRO 131 N 0.87 2.91 -3.87 1.20 -0.04 -1.26 -4.88 135.00 129.93 2tbd n PRO 131 Ca 0.23 -2.46 -0.11 0.00 -0.04 0.00 0.00 63.50 61.12 2tbd n PRO 131 Cb 0.58 -3.16 -0.12 0.00 -0.04 0.00 0.00 33.50 30.76 2tbd n PRO 131 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2tbd s GLU 132 N 3.13 0.23 -0.54 0.54 2.02 -1.26 -5.04 118.70 117.77 2tbd s GLU 132 Ca 0.52 -0.11 0.01 0.00 0.02 0.00 0.00 54.97 55.41 2tbd s GLU 132 Cb 0.15 0.10 0.47 0.00 0.10 0.00 0.00 34.13 34.95 2tbd s GLU 132 CO -0.07 -0.04 1.79 -1.13 0.02 0.00 0.00 175.26 175.83 2tbd n SER 133 N 2.43 6.44 0.00 -0.19 3.41 -1.26 -5.29 113.62 119.17 2tbd n SER 133 Ca -0.17 -3.77 0.00 0.00 -0.26 0.00 0.00 58.87 54.68 2tbd n SER 133 Cb 0.58 -0.80 0.00 0.00 -0.26 0.00 0.00 64.21 63.73 2tbd n SER 133 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64