#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2tbd s SER 2 N 0.00 4.32 -1.11 1.61 0.01 -1.26 -5.00 113.70 112.27 2tbd s SER 2 Ca 0.00 -0.38 -0.05 0.00 1.31 0.00 0.00 55.95 56.83 2tbd s SER 2 Cb 0.00 -1.74 0.12 0.00 0.21 0.00 0.00 66.02 64.61 2tbd s SER 2 CO 0.00 -0.01 2.44 0.29 0.41 0.00 0.00 173.24 176.36 2tbd n LYS 3 N 4.76 4.16 -1.48 12.44 5.02 -1.26 -4.95 118.16 136.85 2tbd n LYS 3 Ca -0.18 -3.29 -0.43 0.00 -2.02 0.00 0.00 58.31 52.39 2tbd n LYS 3 Cb 0.51 -2.51 -0.13 0.00 -0.02 0.00 0.00 35.03 32.88 2tbd n LYS 3 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2tbd n VAL 4 N 1.41 -0.00 -2.90 -0.18 0.31 -1.26 -4.82 118.33 110.89 2tbd n VAL 4 Ca 0.59 -0.10 -0.43 0.00 -0.01 0.00 0.00 64.34 64.38 2tbd n VAL 4 Cb 0.31 -0.81 -0.05 0.00 -0.91 0.00 0.00 33.84 32.38 2tbd n VAL 4 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 2tbd s GLU 5 N 8.48 3.35 -0.53 5.55 2.02 -1.26 -4.95 118.70 131.36 2tbd s GLU 5 Ca 1.29 -0.23 -0.37 0.00 0.02 0.00 0.00 54.97 55.68 2tbd s GLU 5 Cb -1.14 -4.01 -0.16 0.00 0.10 0.00 0.00 34.13 28.92 2tbd s GLU 5 CO 0.48 -1.33 2.28 -3.47 0.02 0.00 0.00 175.26 173.24 2tbd n ASP 6 N 7.11 1.32 -4.59 -0.19 2.03 -1.26 -4.82 116.55 116.15 2tbd n ASP 6 Ca 0.02 0.40 -0.42 0.00 0.52 0.00 0.00 54.79 55.30 2tbd n ASP 6 Cb 0.48 -1.09 -0.02 0.00 -0.72 0.00 0.00 41.12 39.76 2tbd n ASP 6 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 2tbd s PRO 7 N 6.79 3.52 0.00 -0.67 0.04 -1.26 -4.86 135.00 138.56 2tbd s PRO 7 Ca 1.17 0.49 0.18 0.00 0.04 0.00 0.00 61.00 62.88 2tbd s PRO 7 Cb -1.11 -4.02 0.53 0.00 0.04 0.00 0.00 34.50 29.94 2tbd s PRO 7 CO 0.53 -1.66 1.43 0.36 0.04 0.00 0.00 177.00 177.70 2tbd n LYS 8 N 8.30 2.09 -3.92 4.56 2.85 -1.26 -4.96 118.16 125.82 2tbd n LYS 8 Ca 0.12 -1.67 -0.01 0.00 -1.05 0.00 0.00 58.31 55.70 2tbd n LYS 8 Cb 0.49 -1.41 0.02 0.00 -0.65 0.00 0.00 35.03 33.47 2tbd n LYS 8 CO 0.00 0.00 0.00 0.16 -0.05 0.00 0.00 177.40 177.51 2tbd s ASP 9 N -1.27 0.00 0.82 -5.58 -4.77 -1.26 -5.03 116.67 99.59 2tbd s ASP 9 Ca 0.34 -0.46 -0.11 0.00 -3.30 0.00 0.00 52.55 49.02 2tbd s ASP 9 Cb 0.18 0.34 0.09 0.00 -1.09 0.00 0.00 42.92 42.44 2tbd s ASP 9 CO 0.25 -0.67 1.09 -0.36 0.70 0.00 0.00 175.17 176.18 2tbd s PHE 10 N -2.11 2.62 0.41 2.11 0.40 -1.26 -5.01 117.98 115.14 2tbd s PHE 10 Ca 0.25 1.27 -0.23 0.00 -0.60 0.00 0.00 56.93 57.62 2tbd s PHE 10 Cb -0.02 -3.10 -0.10 0.00 0.51 0.00 0.00 43.02 40.31 2tbd s PHE 10 CO 0.02 -1.97 0.99 -1.25 0.70 0.00 0.00 175.22 173.71 2tbd s PRO 11 N -5.02 4.22 0.49 0.24 0.04 -1.26 -4.89 135.00 128.82 2tbd s PRO 11 Ca 0.62 1.31 0.17 0.00 0.04 0.00 0.00 61.00 63.13 2tbd s PRO 11 Cb -0.16 -2.40 1.19 0.00 0.04 0.00 0.00 34.50 33.17 2tbd s PRO 11 CO 0.56 -0.05 2.06 0.66 0.04 0.00 0.00 177.00 180.26 2tbd h SER 12 N 2.30 0.15 -0.16 6.66 4.64 -1.97 0.51 113.55 125.67 2tbd h SER 12 Ca -0.48 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 60.80 2tbd h SER 12 Cb 1.20 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 63.24 2tbd h SER 12 CO 0.62 0.10 0.01 -0.08 -0.87 0.00 0.00 176.83 176.60 2tbd h GLU 13 N 0.17 0.40 0.00 4.77 4.57 -2.03 -1.94 114.58 120.51 2tbd h GLU 13 Ca 0.15 -0.07 0.00 0.00 -1.18 0.00 0.00 59.36 58.26 2tbd h GLU 13 Cb 0.38 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 28.91 2tbd h GLU 13 CO -0.02 0.42 -0.74 1.28 -1.18 0.00 0.00 179.01 178.77 2tbd n LEU 14 N -4.33 0.69 0.00 1.64 4.77 -0.02 -3.88 117.00 115.88 2tbd n LEU 14 Ca 0.01 -0.18 0.11 0.00 -0.03 0.00 0.00 56.01 55.92 2tbd n LEU 14 Cb 0.21 -0.14 0.61 0.00 -2.33 0.00 0.00 43.42 41.77 2tbd n LEU 14 CO 0.38 0.16 0.86 0.18 -1.33 0.00 0.00 177.39 177.64 2tbd n LEU 15 N -1.55 0.00 0.08 2.23 4.77 -0.11 -2.85 117.00 119.57 2tbd n LEU 15 Ca 0.05 0.16 0.10 0.00 -0.03 0.00 0.00 56.01 56.28 2tbd n LEU 15 Cb 0.34 -0.16 0.41 0.00 -2.33 0.00 0.00 43.42 41.68 2tbd n LEU 15 CO 0.38 -0.04 0.79 -1.20 -1.33 0.00 0.00 177.39 175.99 2tbd n SER 16 N -1.16 0.40 -2.76 -1.43 7.64 -1.23 -4.15 113.62 110.93 2tbd n SER 16 Ca 0.13 0.61 -0.04 0.00 1.01 0.00 0.00 58.87 60.58 2tbd n SER 16 Cb 0.14 -0.69 0.01 0.00 -1.01 0.00 0.00 64.21 62.66 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 -1.95 -3.79 -4.44 1.43 1.16 -1.13 -5.10 117.46 103.64 2tbd n PHE 17 Ca 0.02 -1.37 -0.24 0.00 -1.87 0.00 0.00 57.45 53.99 2tbd n PHE 17 Cb 0.19 1.49 -0.08 0.00 -1.61 0.00 0.00 39.48 39.47 2tbd n PHE 17 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 2tbd s LEU 18 N 0.79 1.91 -0.14 5.98 1.43 -1.26 -4.22 118.68 123.17 2tbd s LEU 18 Ca 0.30 -1.75 -0.21 0.00 -1.03 0.00 0.00 54.13 51.44 2tbd s LEU 18 Cb 0.01 0.16 -0.25 0.00 0.03 0.00 0.00 46.19 46.15 2tbd s LEU 18 CO -0.06 -1.02 0.51 0.28 0.23 0.00 0.00 176.35 176.29 2tbd h SER 19 N 1.86 0.18 -4.02 2.29 0.02 -1.85 -3.35 113.55 108.66 2tbd h SER 19 Ca -0.31 -0.79 0.00 0.00 -0.84 0.00 0.00 61.79 59.86 2tbd h SER 19 Cb 1.26 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.74 2tbd h SER 19 CO 0.48 1.43 -0.39 1.41 -1.14 0.00 0.00 176.83 178.61 2tbd n HIS 20 N -4.25 -1.89 -0.32 3.45 -0.00 -1.26 -4.99 115.22 105.96 2tbd n HIS 20 Ca -0.23 1.01 0.00 0.00 -0.00 0.00 0.00 57.72 58.50 2tbd n HIS 20 Cb 0.73 -2.07 -0.00 0.00 -0.00 0.00 0.00 29.99 28.65 2tbd n HIS 20 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2tbd n ALA 21 N -1.03 -0.80 -0.06 -1.41 0.00 -1.26 -4.73 120.51 111.22 2tbd n ALA 21 Ca 0.00 0.10 -0.04 0.00 0.00 0.00 0.00 53.44 53.50 2tbd n ALA 21 Cb 0.02 -0.70 -0.13 0.00 0.00 0.00 0.00 19.45 18.63 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 -1.74 0.85 -1.58 0.00 0.31 -1.26 -4.45 118.33 110.46 2tbd n VAL 22 Ca -0.00 -0.63 -0.30 0.00 -0.01 0.00 0.00 64.34 63.39 2tbd n VAL 22 Cb 0.10 -0.38 0.06 0.00 -0.91 0.00 0.00 33.84 32.71 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 -2.49 3.03 -1.44 3.52 3.01 -1.26 -3.52 117.46 118.30 2tbd n PHE 23 Ca -0.21 -2.71 -0.36 0.00 1.01 0.00 0.00 57.45 55.18 2tbd n PHE 23 Cb 0.90 -1.04 0.08 0.00 -0.01 0.00 0.00 39.48 39.41 2tbd n PHE 23 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 2tbd n SER 24 N -0.85 0.84 -1.95 4.37 3.41 -1.26 -4.86 113.62 113.32 2tbd n SER 24 Ca 0.56 0.71 -0.20 0.00 -0.26 0.00 0.00 58.87 59.68 2tbd n SER 24 Cb 0.79 -1.44 0.09 0.00 -0.26 0.00 0.00 64.21 63.39 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 -1.71 5.25 -4.49 4.04 2.85 -1.26 -4.80 115.26 115.15 2tbd n ASN 25 Ca 0.14 -3.22 -0.24 0.00 -0.11 0.00 0.00 54.58 51.15 2tbd n ASN 25 Cb 0.49 -0.88 -0.10 0.00 1.24 0.00 0.00 39.78 40.53 2tbd n ASN 25 CO 0.00 0.00 0.00 -0.60 -2.11 0.00 0.00 177.26 174.55 2tbd s ARG 26 N -2.41 1.71 -0.55 1.20 3.52 -1.26 -5.10 118.95 116.07 2tbd s ARG 26 Ca 0.41 -1.80 0.04 0.00 -0.13 0.00 0.00 55.73 54.25 2tbd s ARG 26 Cb 0.33 -1.76 0.14 0.00 -1.56 0.00 0.00 34.95 32.10 2tbd s ARG 26 CO 0.03 0.29 0.30 0.95 -0.81 0.00 0.00 175.30 176.06 2tbd s THR 27 N -2.53 2.60 -0.17 4.11 -4.23 -1.26 -4.32 115.64 109.83 2tbd s THR 27 Ca 0.30 -3.45 -0.09 0.00 -1.18 0.00 0.00 61.69 57.27 2tbd s THR 27 Cb -0.04 -2.79 -0.05 0.00 1.34 0.00 0.00 72.50 70.97 2tbd s THR 27 CO 0.15 -0.84 0.14 -0.76 -0.54 0.00 0.00 174.62 172.78 2tbd s LEU 28 N -0.46 4.26 -0.18 4.79 1.02 -1.24 -4.73 118.68 122.16 2tbd s LEU 28 Ca 0.18 0.32 0.04 0.00 0.02 0.00 0.00 54.13 54.69 2tbd s LEU 28 Cb -0.22 -2.11 0.37 0.00 0.02 0.00 0.00 46.19 44.25 2tbd s LEU 28 CO -0.03 0.24 1.30 0.00 0.02 0.00 0.00 176.35 177.89 2tbd n ALA 29 N 3.08 3.66 -3.21 4.21 0.00 -1.26 -4.30 120.51 122.68 2tbd n ALA 29 Ca -0.17 -1.22 -0.17 0.00 0.00 0.00 0.00 53.44 51.88 2tbd n ALA 29 Cb 0.53 -1.15 -0.15 0.00 0.00 0.00 0.00 19.45 18.67 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 -0.00 -0.36 0.00 0.40 -1.08 -1.32 117.98 116.03 2tbd s PHE 31 Ca -0.05 0.02 -0.05 0.00 -0.60 0.00 0.00 56.93 56.25 2tbd s PHE 31 Cb -0.08 -0.03 0.06 0.00 0.51 0.00 0.00 43.02 43.48 2tbd s PHE 31 CO -0.00 -0.14 0.13 0.00 0.70 0.00 0.00 175.22 175.90 2tbd s ALA 32 N -0.61 3.06 -0.17 5.36 0.00 -0.02 -2.57 121.76 126.82 2tbd s ALA 32 Ca -0.07 -1.94 -0.27 0.00 0.00 0.00 0.00 51.96 49.68 2tbd s ALA 32 Cb -0.04 -2.30 -0.01 0.00 0.00 0.00 0.00 23.12 20.77 2tbd s ALA 32 CO 0.00 -1.45 0.90 0.42 0.00 0.00 0.00 175.76 175.64 2tbd s ILE 33 N 1.34 4.82 -0.32 0.00 1.01 -0.94 -2.57 121.20 124.54 2tbd s ILE 33 Ca -0.00 1.78 -0.01 0.00 0.00 0.00 0.00 60.65 62.42 2tbd s ILE 33 Cb -0.21 -4.20 0.07 0.00 0.01 0.00 0.00 42.46 38.13 2tbd s ILE 33 CO 0.01 -0.02 0.03 -0.47 0.00 0.00 0.00 174.94 174.49 2tbd s TYR 34 N 2.36 3.39 0.27 3.97 5.04 -0.93 -0.16 117.35 131.29 2tbd s TYR 34 Ca 0.41 -2.18 -0.21 0.00 -2.44 0.00 0.00 57.07 52.65 2tbd s TYR 34 Cb -0.17 -2.41 0.05 0.00 0.35 0.00 0.00 41.96 39.78 2tbd s TYR 34 CO 0.12 -0.87 0.84 -0.08 -1.34 0.00 0.00 175.55 174.22 2tbd s THR 35 N 1.17 0.00 0.34 4.34 -1.32 -1.03 -0.95 115.64 118.19 2tbd s THR 35 Ca -0.01 -0.87 -0.24 0.00 -1.21 0.00 0.00 61.69 59.37 2tbd s THR 35 Cb -0.20 -2.36 -0.16 0.00 -1.51 0.00 0.00 72.50 68.28 2tbd s THR 35 CO -0.03 0.00 0.30 0.35 -2.21 0.00 0.00 174.62 173.03 2tbd n THR 36 N -0.51 1.24 0.01 5.08 -2.24 -1.26 -2.03 114.28 114.57 2tbd n THR 36 Ca -0.06 -0.50 -0.11 0.00 -2.27 0.00 0.00 64.05 61.12 2tbd n THR 36 Cb 0.60 -0.10 -0.06 0.00 -2.10 0.00 0.00 70.33 68.67 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 0.63 0.02 -0.99 -0.78 2.10 -1.86 -0.33 116.57 115.36 2tbd h LYS 37 Ca -0.35 -0.00 0.29 0.00 -2.00 0.00 0.00 60.65 58.59 2tbd h LYS 37 Cb 1.44 -0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 32.72 2tbd h LYS 37 CO 0.51 0.01 0.86 0.93 -2.00 0.00 0.00 179.45 179.75 2tbd h GLU 38 N 0.02 0.00 0.20 0.07 4.39 -2.00 -0.29 114.58 116.97 2tbd h GLU 38 Ca 0.03 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.72 2tbd h GLU 38 Cb 0.04 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.69 2tbd h GLU 38 CO -0.06 0.00 -0.10 -0.22 -1.16 0.00 0.00 179.01 177.48 2tbd h LYS 39 N 0.00 -0.26 -0.93 2.33 3.64 -1.37 -3.24 116.57 116.74 2tbd h LYS 39 Ca 0.47 0.02 0.26 0.00 -1.27 0.00 0.00 60.65 60.12 2tbd h LYS 39 Cb 2.17 0.06 -0.14 0.00 -0.41 0.00 0.00 32.23 33.92 2tbd h LYS 39 CO -0.00 -0.06 0.39 0.00 -2.27 0.00 0.00 179.45 177.51 2tbd h ALA 40 N -0.88 1.54 -0.60 5.00 0.00 -0.77 0.34 119.26 123.88 2tbd h ALA 40 Ca -0.03 0.19 0.12 0.00 0.00 0.00 0.00 54.91 55.20 2tbd h ALA 40 Cb 0.33 0.21 -0.10 0.00 0.00 0.00 0.00 17.79 18.23 2tbd h ALA 40 CO 0.05 -0.45 0.02 0.00 0.00 0.00 0.00 179.25 178.87 2tbd h ALA 41 N 1.78 0.62 0.00 0.00 0.00 -1.40 0.55 119.26 120.81 2tbd h ALA 41 Ca 0.61 0.18 -0.08 0.00 0.00 0.00 0.00 54.91 55.61 2tbd h ALA 41 Cb 1.26 0.30 -0.01 0.00 0.00 0.00 0.00 17.79 19.33 2tbd h ALA 41 CO -0.60 -0.38 -0.39 -0.07 0.00 0.00 0.00 179.25 177.81 2tbd h LEU 42 N 0.14 0.00 -0.01 0.00 4.07 -0.40 -1.95 115.31 117.17 2tbd h LEU 42 Ca 0.32 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.28 2tbd h LEU 42 Cb 0.51 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.25 2tbd h LEU 42 CO -0.50 0.39 0.00 0.18 -1.08 0.00 0.00 178.44 177.44 2tbd n LEU 43 N -3.98 0.29 0.00 1.67 7.99 0.15 -2.63 117.00 120.49 2tbd n LEU 43 Ca -0.02 0.53 0.00 0.00 -0.01 0.00 0.00 56.01 56.51 2tbd n LEU 43 Cb 0.44 -0.44 0.00 0.00 -0.11 0.00 0.00 43.42 43.31 2tbd n LEU 43 CO 0.39 -0.08 0.12 0.00 -1.51 0.00 0.00 177.39 176.31 2tbd n TYR 44 N -1.78 0.00 0.19 -1.77 9.36 0.14 -1.40 117.16 121.91 2tbd n TYR 44 Ca 0.06 0.00 0.04 0.00 3.32 0.00 0.00 57.90 61.32 2tbd n TYR 44 Cb 0.37 -0.46 0.16 0.00 -0.63 0.00 0.00 39.34 38.78 2tbd n TYR 44 CO 0.00 0.00 0.00 1.17 0.22 0.00 0.00 176.86 178.25 2tbd n LYS 45 N -1.87 0.02 0.00 2.98 0.00 -1.23 -2.14 118.16 115.92 2tbd n LYS 45 Ca 0.00 0.42 0.00 0.00 0.00 0.00 0.00 58.31 58.73 2tbd n LYS 45 Cb 0.00 -1.55 0.00 0.00 0.00 0.00 0.00 35.03 33.48 2tbd n LYS 45 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 2tbd n LYS 46 N -1.58 0.00 0.01 1.64 5.02 -1.08 -4.23 118.16 117.94 2tbd n LYS 46 Ca 0.01 0.10 0.21 0.00 -2.02 0.00 0.00 58.31 56.61 2tbd n LYS 46 Cb 0.07 -0.45 0.55 0.00 -0.02 0.00 0.00 35.03 35.17 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 0.13 0.00 -0.18 1.08 -1.30 -2.69 117.51 114.55 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 0.31 0.00 0.00 -3.07 0.00 0.00 36.82 34.06 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 -3.30 0.00 0.00 2.37 2.81 -0.91 -1.00 117.12 117.10 2tbd n MET 48 Ca 0.12 0.39 0.10 0.00 -1.81 0.00 0.00 57.70 56.51 2tbd n MET 48 Cb 1.03 -1.10 0.58 0.00 -0.71 0.00 0.00 33.22 33.02 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 -1.14 0.84 0.02 0.03 4.71 -1.10 -0.93 120.64 123.07 2tbd n GLU 49 Ca 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 57.16 57.13 2tbd n GLU 49 Cb 0.00 -1.36 -0.10 0.00 -1.01 0.00 0.00 31.44 28.97 2tbd n GLU 49 CO 0.00 0.00 0.00 1.17 0.09 0.00 0.00 177.13 178.39 2tbd n LYS 50 N -0.86 0.62 -0.24 3.49 4.81 -0.80 -4.48 118.16 120.71 2tbd n LYS 50 Ca 0.15 0.22 0.00 0.00 -0.87 0.00 0.00 58.31 57.81 2tbd n LYS 50 Cb 0.07 -1.79 0.00 0.00 0.02 0.00 0.00 35.03 33.32 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 -2.90 0.00 -4.11 5.64 4.02 -0.17 -5.00 117.16 114.64 2tbd n TYR 51 Ca -0.11 0.00 -0.30 0.00 -0.01 0.00 0.00 57.90 57.48 2tbd n TYR 51 Cb 0.88 -0.02 -0.04 0.00 -0.02 0.00 0.00 39.34 40.14 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 0.00 -1.05 -3.50 7.72 7.64 -0.10 -3.90 113.62 120.42 2tbd n SER 52 Ca 0.00 -1.06 -0.46 0.00 1.01 0.00 0.00 58.87 58.36 2tbd n SER 52 Cb 0.59 -2.69 -0.06 0.00 -1.01 0.00 0.00 64.21 61.05 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 -4.42 0.01 1.93 0.44 0.24 -1.21 -4.45 118.33 110.87 2tbd n VAL 53 Ca -0.19 -0.00 0.11 0.00 -2.04 0.00 0.00 64.34 62.23 2tbd n VAL 53 Cb 0.62 0.00 0.64 0.00 -1.47 0.00 0.00 33.84 33.63 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 1.16 0.01 0.00 3.34 -1.04 -1.18 -4.81 114.28 111.77 2tbd n THR 54 Ca 0.16 -0.03 0.00 0.00 -2.04 0.00 0.00 64.05 62.13 2tbd n THR 54 Cb 0.06 -0.27 0.00 0.00 -1.82 0.00 0.00 70.33 68.30 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 -0.74 0.00 -3.64 -1.42 7.35 -1.26 -3.61 117.46 114.14 2tbd n PHE 55 Ca 0.17 0.00 -0.18 0.00 -0.76 0.00 0.00 57.45 56.67 2tbd n PHE 55 Cb 0.10 0.00 -0.16 0.00 0.35 0.00 0.00 39.48 39.78 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 -0.30 -0.23 -0.12 -2.13 2.07 -1.26 -1.33 121.20 117.90 2tbd s ILE 56 Ca 0.00 0.25 0.02 0.00 -1.41 0.00 0.00 60.65 59.51 2tbd s ILE 56 Cb 0.00 -0.35 0.01 0.00 0.13 0.00 0.00 42.46 42.25 2tbd s ILE 56 CO 0.00 0.06 -0.17 -0.55 -1.91 0.00 0.00 174.94 172.37 2tbd s SER 57 N 2.26 2.68 -0.49 4.50 0.15 -0.19 -2.50 113.70 120.11 2tbd s SER 57 Ca 0.04 -0.49 -0.24 0.00 0.70 0.00 0.00 55.95 55.96 2tbd s SER 57 Cb -0.13 -1.21 0.03 0.00 -1.71 0.00 0.00 66.02 63.00 2tbd s SER 57 CO -0.07 0.03 0.87 -0.13 1.20 0.00 0.00 173.24 175.14 2tbd s ARG 58 N 0.99 3.40 0.54 5.44 0.52 0.31 -2.16 118.95 127.99 2tbd s ARG 58 Ca -0.05 -0.12 0.07 0.00 -0.52 0.00 0.00 55.73 55.10 2tbd s ARG 58 Cb -0.15 -3.98 0.07 0.00 0.52 0.00 0.00 34.95 31.41 2tbd s ARG 58 CO -0.03 -1.28 0.56 0.72 0.02 0.00 0.00 175.30 175.30 2tbd n HIS 59 N 7.07 -1.41 -4.84 -0.53 8.25 -1.03 -1.08 115.22 121.65 2tbd n HIS 59 Ca 0.03 -2.12 -0.30 0.00 -0.26 0.00 0.00 57.72 55.06 2tbd n HIS 59 Cb 0.48 -0.47 -0.14 0.00 1.12 0.00 0.00 29.99 30.98 2tbd n HIS 59 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 2tbd s ASN 60 N -4.23 3.41 0.00 0.41 -0.87 -0.79 -1.53 114.94 111.33 2tbd s ASN 60 Ca 0.43 -0.52 0.00 0.00 -1.57 0.00 0.00 52.86 51.20 2tbd s ASN 60 Cb -0.03 -0.42 0.00 0.00 -0.02 0.00 0.00 41.25 40.78 2tbd s ASN 60 CO 0.27 0.26 0.00 -1.54 -2.57 0.00 0.00 177.10 173.52 2tbd n SER 61 N 1.74 0.00 0.00 -1.22 3.41 -0.77 -1.65 113.62 115.13 2tbd n SER 61 Ca -0.17 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.44 2tbd n SER 61 Cb 0.52 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.47 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 -0.09 0.00 -0.15 7.33 4.02 -1.26 -4.68 117.16 122.33 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 0.22 0.00 0.00 -0.02 0.00 0.00 39.34 39.54 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 -2.53 0.26 -0.04 7.72 3.02 -1.26 -5.01 115.26 117.41 2tbd n ASN 63 Ca 0.00 -0.60 0.00 0.00 -0.03 0.00 0.00 54.58 53.95 2tbd n ASN 63 Cb 0.21 0.38 0.00 0.00 -0.61 0.00 0.00 39.78 39.76 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 -0.38 -0.01 -4.35 3.10 8.25 -1.26 -4.77 115.22 115.80 2tbd n HIS 64 Ca 0.00 0.00 -0.18 0.00 -0.26 0.00 0.00 57.72 57.28 2tbd n HIS 64 Cb 0.04 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.05 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 1.19 2.29 -0.43 0.41 0.01 -0.86 -1.84 114.94 115.70 2tbd s ASN 65 Ca 0.00 -1.11 -0.06 0.00 -0.71 0.00 0.00 52.86 50.97 2tbd s ASN 65 Cb 0.00 -0.08 0.11 0.00 0.41 0.00 0.00 41.25 41.68 2tbd s ASN 65 CO 0.00 -0.33 0.27 -0.63 -1.51 0.00 0.00 177.10 174.89 2tbd s ILE 66 N -3.16 3.78 -1.11 0.60 1.09 -0.58 -2.47 121.20 119.34 2tbd s ILE 66 Ca 0.25 -1.85 -0.22 0.00 -1.10 0.00 0.00 60.65 57.73 2tbd s ILE 66 Cb 0.03 -3.51 0.03 0.00 -1.06 0.00 0.00 42.46 37.95 2tbd s ILE 66 CO 0.07 -0.69 1.66 -0.22 -0.10 0.00 0.00 174.94 175.66 2tbd s LEU 67 N 1.27 3.52 -0.19 2.97 2.96 0.78 -2.47 118.68 127.53 2tbd s LEU 67 Ca 0.06 -1.70 -0.29 0.00 -0.22 0.00 0.00 54.13 51.98 2tbd s LEU 67 Cb -0.24 -2.57 -0.00 0.00 0.50 0.00 0.00 46.19 43.87 2tbd s LEU 67 CO -0.02 -1.72 1.15 0.12 -1.32 0.00 0.00 176.35 174.56 2tbd s PHE 68 N 6.02 3.11 -0.00 5.38 5.36 -0.92 -2.22 117.98 134.70 2tbd s PHE 68 Ca 0.54 1.24 0.01 0.00 -0.96 0.00 0.00 56.93 57.76 2tbd s PHE 68 Cb 0.00 -3.38 -0.00 0.00 -0.34 0.00 0.00 43.02 39.30 2tbd s PHE 68 CO -0.00 -1.09 -0.02 -0.59 -1.46 0.00 0.00 175.22 172.06 2tbd s PHE 69 N 3.24 0.21 0.52 10.12 -0.71 -1.06 -1.03 117.98 129.27 2tbd s PHE 69 Ca 0.50 -0.04 0.07 0.00 -1.04 0.00 0.00 56.93 56.42 2tbd s PHE 69 Cb -0.19 -0.14 0.05 0.00 -1.21 0.00 0.00 43.02 41.53 2tbd s PHE 69 CO 0.11 -0.00 0.71 -1.17 -1.34 0.00 0.00 175.22 173.53 2tbd s LEU 70 N -0.04 3.35 -0.00 -1.99 2.96 -0.44 -2.64 118.68 119.87 2tbd s LEU 70 Ca 0.01 -0.55 -0.14 0.00 -0.22 0.00 0.00 54.13 53.22 2tbd s LEU 70 Cb -0.01 -2.21 0.02 0.00 0.50 0.00 0.00 46.19 44.49 2tbd s LEU 70 CO -0.00 -1.12 0.30 0.42 -1.32 0.00 0.00 176.35 174.64 2tbd s THR 71 N -2.58 0.06 0.00 3.68 -4.23 0.40 -3.09 115.64 109.89 2tbd s THR 71 Ca 0.59 -0.52 0.00 0.00 -1.18 0.00 0.00 61.69 60.58 2tbd s THR 71 Cb -0.08 -0.67 0.00 0.00 1.34 0.00 0.00 72.50 73.09 2tbd s THR 71 CO 0.37 -0.28 0.00 -0.81 -0.54 0.00 0.00 174.62 173.35 2tbd n PRO 72 N 1.15 0.00 -0.55 3.99 -0.04 -1.25 -4.75 135.00 133.54 2tbd n PRO 72 Ca -0.21 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.02 2tbd n PRO 72 Cb 0.57 -0.09 0.16 0.00 -0.04 0.00 0.00 33.50 34.10 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 0.00 -2.19 -3.94 0.54 1.44 -1.26 -4.92 115.22 104.90 2tbd n HIS 73 Ca 0.00 -0.01 -0.30 0.00 -2.01 0.00 0.00 57.72 55.40 2tbd n HIS 73 Cb 0.00 -1.42 -0.04 0.00 0.12 0.00 0.00 29.99 28.65 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 -3.51 3.38 -0.03 -1.40 1.81 -1.26 -4.73 118.95 113.21 2tbd s ARG 74 Ca 0.42 -0.48 -0.14 0.00 -1.72 0.00 0.00 55.73 53.81 2tbd s ARG 74 Cb -0.07 -3.00 0.02 0.00 -0.45 0.00 0.00 34.95 31.45 2tbd s ARG 74 CO 0.43 0.60 0.31 -3.38 -0.68 0.00 0.00 175.30 172.58 2tbd s HIS 75 N -1.52 -0.20 0.24 -0.53 0.00 -1.26 -5.03 115.29 106.98 2tbd s HIS 75 Ca 0.34 0.35 -0.30 0.00 -3.00 0.00 0.00 55.06 52.46 2tbd s HIS 75 Cb -0.13 0.10 -0.09 0.00 -4.00 0.00 0.00 32.58 28.46 2tbd s HIS 75 CO 0.27 -0.35 0.99 1.03 -1.00 0.00 0.00 174.74 175.68 2tbd s ARG 76 N -1.10 4.78 0.63 -0.38 0.52 -1.26 -3.60 118.95 118.54 2tbd s ARG 76 Ca -0.12 1.58 0.27 0.00 -0.52 0.00 0.00 55.73 56.95 2tbd s ARG 76 Cb -0.05 -3.26 1.49 0.00 0.52 0.00 0.00 34.95 33.64 2tbd s ARG 76 CO 0.04 0.40 1.83 0.28 0.02 0.00 0.00 175.30 177.86 2tbd h VAL 77 N 3.23 0.00 -0.21 3.52 2.07 -1.85 0.21 116.25 123.22 2tbd h VAL 77 Ca -0.45 0.00 -0.12 0.00 0.82 0.00 0.00 66.70 66.95 2tbd h VAL 77 Cb 1.20 0.61 -0.00 0.00 -1.52 0.00 0.00 31.29 31.58 2tbd h VAL 77 CO 0.68 0.00 -0.34 0.77 0.02 0.00 0.00 177.57 178.70 2tbd h SER 78 N 0.00 0.67 0.55 0.57 4.64 -1.89 0.19 113.55 118.28 2tbd h SER 78 Ca 0.00 -0.53 -0.03 0.00 -0.47 0.00 0.00 61.79 60.77 2tbd h SER 78 Cb 0.69 -0.19 0.01 0.00 -0.31 0.00 0.00 62.40 62.60 2tbd h SER 78 CO 0.00 1.07 -0.26 0.00 -0.87 0.00 0.00 176.83 176.76 2tbd h ALA 79 N 0.62 -0.74 -0.20 5.18 0.00 -0.94 -0.00 119.26 123.18 2tbd h ALA 79 Ca 0.02 -0.19 0.06 0.00 0.00 0.00 0.00 54.91 54.79 2tbd h ALA 79 Cb 0.93 0.29 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 2tbd h ALA 79 CO 0.08 -0.73 0.18 0.82 0.00 0.00 0.00 179.25 179.59 2tbd h ILE 80 N -1.10 0.63 -0.04 0.00 1.08 -1.55 0.18 117.51 116.71 2tbd h ILE 80 Ca -0.08 0.00 -0.17 0.00 -0.39 0.00 0.00 64.86 64.23 2tbd h ILE 80 Cb 0.62 0.86 -0.01 0.00 -3.07 0.00 0.00 36.82 35.23 2tbd h ILE 80 CO 0.12 0.00 -0.72 -1.13 -0.69 0.00 0.00 178.15 175.74 2tbd h ASN 81 N 0.00 0.27 0.03 1.72 -1.24 -0.31 -2.74 115.58 113.31 2tbd h ASN 81 Ca 0.09 -0.18 -0.07 0.00 0.71 0.00 0.00 56.30 56.86 2tbd h ASN 81 Cb 0.45 -0.08 -0.01 0.00 0.73 0.00 0.00 38.32 39.41 2tbd h ASN 81 CO -0.00 0.90 -0.18 0.78 -1.29 0.00 0.00 177.43 177.64 2tbd h ASN 82 N 0.15 0.29 0.36 1.15 4.21 0.14 0.44 115.58 122.31 2tbd h ASN 82 Ca -0.02 -0.07 -0.02 0.00 1.21 0.00 0.00 56.30 57.40 2tbd h ASN 82 Cb 1.27 -0.08 0.00 0.00 -1.12 0.00 0.00 38.32 38.40 2tbd h ASN 82 CO 0.11 0.49 -0.17 0.22 -1.29 0.00 0.00 177.43 176.79 2tbd h TYR 83 N 0.28 -0.44 -0.08 1.19 3.20 -1.34 -2.18 116.97 117.60 2tbd h TYR 83 Ca 0.05 -0.01 0.02 0.00 3.14 0.00 0.00 58.73 61.93 2tbd h TYR 83 Cb 0.49 0.15 -0.00 0.00 1.54 0.00 0.00 36.73 38.90 2tbd h TYR 83 CO 0.01 -0.26 0.13 0.00 -1.64 0.00 0.00 178.16 176.39 2tbd h ALA 84 N -1.10 1.52 -0.03 1.82 0.00 -1.48 -0.77 119.26 119.22 2tbd h ALA 84 Ca -0.05 -0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.61 2tbd h ALA 84 Cb 0.38 0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.19 2tbd h ALA 84 CO 0.08 -0.17 -0.96 1.96 0.00 0.00 0.00 179.25 180.16 2tbd h GLN 85 N 0.00 0.63 0.00 0.00 1.08 -0.86 -2.92 115.11 113.04 2tbd h GLN 85 Ca 0.04 -0.64 0.00 0.00 -1.45 0.00 0.00 58.65 56.60 2tbd h GLN 85 Cb 0.29 0.17 0.00 0.00 -0.05 0.00 0.00 27.48 27.89 2tbd h GLN 85 CO -0.00 1.24 0.00 0.87 -0.95 0.00 0.00 178.83 179.99 2tbd h LYS 86 N 0.37 0.00 -1.64 1.46 6.56 -0.46 -2.38 116.57 120.48 2tbd h LYS 86 Ca -0.10 0.00 -0.54 0.00 -1.06 0.00 0.00 60.65 58.95 2tbd h LYS 86 Cb 1.60 0.00 -0.21 0.00 -0.57 0.00 0.00 32.23 33.05 2tbd h LYS 86 CO 0.18 0.00 0.64 1.28 -2.06 0.00 0.00 179.45 179.49 2tbd n LEU 87 N -2.29 6.96 -0.32 2.94 4.77 -1.10 -4.29 117.00 123.66 2tbd n LEU 87 Ca -0.01 -4.06 0.08 0.00 -0.03 0.00 0.00 56.01 51.99 2tbd n LEU 87 Cb 0.05 -1.10 0.16 0.00 -2.33 0.00 0.00 43.42 40.20 2tbd n LEU 87 CO 0.11 1.54 0.47 0.00 -1.33 0.00 0.00 177.39 178.17 2tbd n THR 89 N -1.22 2.45 0.00 0.00 -2.24 -1.26 -4.33 114.28 107.68 2tbd n THR 89 Ca 0.16 -1.29 0.00 0.00 -2.27 0.00 0.00 64.05 60.65 2tbd n THR 89 Cb 0.67 -0.54 0.00 0.00 -2.10 0.00 0.00 70.33 68.37 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 -0.38 -0.64 -3.72 4.78 -1.74 -1.26 -5.15 117.46 109.34 2tbd n PHE 90 Ca 0.37 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 57.26 2tbd n PHE 90 Cb 1.24 0.29 0.00 0.00 1.52 0.00 0.00 39.48 42.53 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 -2.08 0.00 -3.91 5.98 7.64 -1.26 -5.16 113.62 114.83 2tbd n SER 91 Ca 0.00 -0.94 -0.30 0.00 1.01 0.00 0.00 58.87 58.64 2tbd n SER 91 Cb 0.00 0.00 0.22 0.00 -1.01 0.00 0.00 64.21 63.42 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 -3.44 0.81 -0.29 1.43 -0.71 -1.26 -4.66 117.98 109.86 2tbd s PHE 92 Ca 0.00 0.44 -0.12 0.00 -1.04 0.00 0.00 56.93 56.21 2tbd s PHE 92 Cb 0.00 -3.65 0.11 0.00 -1.21 0.00 0.00 43.02 38.28 2tbd s PHE 92 CO 0.00 -3.52 0.67 -1.17 -1.34 0.00 0.00 175.22 169.86 2tbd s LEU 93 N -6.63 -1.08 -0.49 -1.99 2.96 -1.26 -4.59 118.68 105.59 2tbd s LEU 93 Ca 0.72 1.55 0.07 0.00 -0.22 0.00 0.00 54.13 56.25 2tbd s LEU 93 Cb -0.08 2.33 0.36 0.00 0.50 0.00 0.00 46.19 49.30 2tbd s LEU 93 CO 0.55 -0.22 0.92 -0.38 -1.32 0.00 0.00 176.35 175.90 2tbd n ILE 94 N 5.09 2.10 -2.83 6.68 5.41 -0.12 -5.03 119.36 130.65 2tbd n ILE 94 Ca -0.14 -5.11 -0.41 0.00 1.00 0.00 0.00 62.75 58.09 2tbd n ILE 94 Cb 0.52 -0.99 -0.04 0.00 -0.71 0.00 0.00 39.64 38.42 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 0.68 1.19 0.49 0.00 1.02 -1.06 -4.93 119.74 117.13 2tbd s LYS 96 Ca 0.46 -1.46 -0.08 0.00 0.02 0.00 0.00 55.97 54.91 2tbd s LYS 96 Cb -0.20 0.31 0.12 0.00 -0.52 0.00 0.00 37.83 37.54 2tbd s LYS 96 CO 0.25 -0.41 0.52 0.41 -0.92 0.00 0.00 175.35 175.21 2tbd n GLY 97 N -0.24 -2.01 2.89 -3.33 0.00 -1.26 -0.84 105.19 100.39 2tbd n GLY 97 Ca -0.02 -1.57 -0.13 0.00 0.00 0.00 0.00 46.02 44.31 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 -2.05 -0.03 -0.31 1.61 1.01 -0.43 -3.61 120.40 116.60 2tbd s VAL 98 Ca 0.32 0.10 0.22 0.00 0.00 0.00 0.00 61.98 62.62 2tbd s VAL 98 Cb -0.02 -0.12 -0.16 0.00 0.00 0.00 0.00 36.38 36.07 2tbd s VAL 98 CO 0.23 0.04 0.83 0.59 0.00 0.00 0.00 175.10 176.80 2tbd n ASN 99 N 3.62 0.48 -3.60 3.32 3.02 -1.26 -4.71 115.26 116.14 2tbd n ASN 99 Ca -0.20 -0.00 -0.27 0.00 -0.03 0.00 0.00 54.58 54.08 2tbd n ASN 99 Cb 0.55 1.12 -0.16 0.00 -0.61 0.00 0.00 39.78 40.68 2tbd n ASN 99 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 2tbd s LYS 100 N -3.35 0.13 0.00 3.52 2.47 -1.26 -5.00 119.74 116.24 2tbd s LYS 100 Ca -0.02 -0.23 0.00 0.00 -1.56 0.00 0.00 55.97 54.16 2tbd s LYS 100 Cb 0.13 -1.65 0.00 0.00 -1.46 0.00 0.00 37.83 34.85 2tbd s LYS 100 CO 0.84 -0.77 0.07 0.39 0.16 0.00 0.00 175.35 176.04 2tbd n GLU 101 N 5.26 0.00 -0.60 4.03 4.71 -1.26 -2.20 120.64 130.58 2tbd n GLU 101 Ca -0.07 0.00 0.47 0.00 -0.01 0.00 0.00 57.16 57.55 2tbd n GLU 101 Cb 0.47 -0.43 0.72 0.00 -1.01 0.00 0.00 31.44 31.19 2tbd n GLU 101 CO 0.00 0.00 0.00 0.98 0.09 0.00 0.00 177.13 178.20 2tbd n TYR 102 N -0.31 0.00 0.00 -0.32 4.19 -1.26 -1.56 117.16 117.90 2tbd n TYR 102 Ca 0.00 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.21 2tbd n TYR 102 Cb 0.00 -0.43 0.00 0.00 0.49 0.00 0.00 39.34 39.40 2tbd n TYR 102 CO 0.00 0.00 0.00 -0.11 0.91 0.00 0.00 176.86 177.66 2tbd n LEU 103 N -3.70 0.52 -0.33 2.98 -0.00 -1.25 -1.76 117.00 113.47 2tbd n LEU 103 Ca 0.39 0.56 0.24 0.00 -0.00 0.00 0.00 56.01 57.20 2tbd n LEU 103 Cb 1.83 -0.35 0.45 0.00 -0.00 0.00 0.00 43.42 45.35 2tbd n LEU 103 CO 0.39 -0.35 0.95 -0.03 -0.00 0.00 0.00 177.39 178.35 2tbd h MET 104 N 0.00 0.02 -0.12 1.96 4.05 -0.79 0.79 114.93 120.83 2tbd h MET 104 Ca 0.00 -0.00 -0.00 0.00 -0.28 0.00 0.00 59.70 59.42 2tbd h MET 104 Cb 0.00 -0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 30.79 2tbd h MET 104 CO 0.00 0.01 0.07 -0.92 0.23 0.00 0.00 176.91 176.30 2tbd h TYR 105 N 0.02 0.16 0.31 1.39 5.03 -1.46 0.11 116.97 122.52 2tbd h TYR 105 Ca 0.73 -0.00 0.00 0.00 2.58 0.00 0.00 58.73 62.04 2tbd h TYR 105 Cb 1.77 -0.05 -0.02 0.00 1.55 0.00 0.00 36.73 39.98 2tbd h TYR 105 CO -0.23 0.15 -0.34 1.03 -1.32 0.00 0.00 178.16 177.46 2tbd h SER 106 N 0.11 -0.92 0.15 -2.11 0.87 0.14 0.17 113.55 111.97 2tbd h SER 106 Ca 0.04 0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.69 2tbd h SER 106 Cb 0.05 0.32 0.00 0.00 -0.44 0.00 0.00 62.40 62.32 2tbd h SER 106 CO -0.01 -0.47 0.00 0.00 -0.53 0.00 0.00 176.83 175.82 2tbd h ALA 107 N -0.18 1.00 0.00 6.23 0.00 -1.16 0.07 119.26 125.23 2tbd h ALA 107 Ca -0.01 0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.73 2tbd h ALA 107 Cb 0.63 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 2tbd h ALA 107 CO -0.08 0.00 -1.04 -0.07 0.00 0.00 0.00 179.25 178.06 2tbd h LEU 108 N 0.00 0.00 0.00 0.00 3.38 0.19 -3.29 115.31 115.60 2tbd h LEU 108 Ca 0.00 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.83 2tbd h LEU 108 Cb 0.08 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 2tbd h LEU 108 CO 0.00 0.65 -0.70 0.71 0.09 0.00 0.00 178.44 179.19 2tbd h THR 109 N 0.00 1.15 -3.54 0.22 1.35 0.11 -3.29 112.91 108.92 2tbd h THR 109 Ca -0.09 -2.64 -0.52 0.00 -0.55 0.00 0.00 66.41 62.60 2tbd h THR 109 Cb 1.58 2.57 -0.03 0.00 -1.73 0.00 0.00 68.15 70.53 2tbd h THR 109 CO 0.07 0.66 0.12 -0.60 -0.25 0.00 0.00 175.52 175.52 2tbd s ARG 110 N -2.87 4.33 0.84 4.72 3.52 -0.97 -4.68 118.95 123.84 2tbd s ARG 110 Ca 0.03 0.94 -0.14 0.00 -0.13 0.00 0.00 55.73 56.43 2tbd s ARG 110 Cb 0.08 -3.00 0.02 0.00 -1.56 0.00 0.00 34.95 30.49 2tbd s ARG 110 CO 0.77 0.46 0.63 -0.25 -0.81 0.00 0.00 175.30 176.10 2tbd n ASP 111 N 1.02 -1.09 0.00 -2.12 8.00 -1.26 -1.08 116.55 120.02 2tbd n ASP 111 Ca -0.04 0.47 0.01 0.00 0.71 0.00 0.00 54.79 55.95 2tbd n ASP 111 Cb 0.50 -1.28 0.06 0.00 -0.02 0.00 0.00 41.12 40.39 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 -1.74 0.98 -2.71 -0.24 -0.04 -1.26 -5.02 135.00 124.96 2tbd n PRO 112 Ca 0.09 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 63.12 2tbd n PRO 112 Cb 0.52 -1.03 -0.03 0.00 -0.04 0.00 0.00 33.50 32.91 2tbd n PRO 112 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2tbd s PHE 113 N -2.00 2.92 0.40 0.54 0.08 -0.24 -4.70 117.98 114.97 2tbd s PHE 113 Ca 0.03 0.65 -0.01 0.00 0.12 0.00 0.00 56.93 57.72 2tbd s PHE 113 Cb 0.01 -4.09 0.08 0.00 -0.57 0.00 0.00 43.02 38.45 2tbd s PHE 113 CO 0.02 -1.10 0.55 0.45 -0.10 0.00 0.00 175.22 175.04 2tbd n SER 114 N 7.37 0.60 -4.24 1.36 2.88 -0.66 -3.61 113.62 117.31 2tbd n SER 114 Ca 0.09 -1.54 -0.19 0.00 -1.33 0.00 0.00 58.87 55.91 2tbd n SER 114 Cb 0.49 -0.37 -0.11 0.00 -0.75 0.00 0.00 64.21 63.47 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 -1.65 1.36 0.00 2.46 1.01 -1.26 -1.88 120.40 120.44 2tbd s VAL 115 Ca 0.35 -1.68 0.00 0.00 0.00 0.00 0.00 61.98 60.65 2tbd s VAL 115 Cb -0.02 -1.51 0.00 0.00 0.00 0.00 0.00 36.38 34.86 2tbd s VAL 115 CO 0.24 -0.37 0.00 -0.38 0.00 0.00 0.00 175.10 174.58 2tbd n ILE 116 N 0.62 0.00 -4.19 2.22 5.41 -0.24 -4.76 119.36 118.42 2tbd n ILE 116 Ca -0.16 0.00 -0.12 0.00 1.00 0.00 0.00 62.75 63.47 2tbd n ILE 116 Cb 0.56 -0.69 -0.10 0.00 -0.71 0.00 0.00 39.64 38.70 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 -0.90 1.21 0.09 0.38 2.12 -1.00 -4.97 118.70 115.64 2tbd s GLU 117 Ca 0.00 -1.62 -0.26 0.00 0.36 0.00 0.00 54.97 53.45 2tbd s GLU 117 Cb 0.00 0.28 0.09 0.00 0.26 0.00 0.00 34.13 34.75 2tbd s GLU 117 CO 0.00 -0.40 1.12 -1.83 -0.54 0.00 0.00 175.26 173.61 2tbd s GLU 118 N -4.15 0.90 -0.02 4.30 4.04 -1.26 -0.53 118.70 121.99 2tbd s GLU 118 Ca 0.38 -0.54 0.13 0.00 0.04 0.00 0.00 54.97 54.98 2tbd s GLU 118 Cb 0.07 0.28 -0.19 0.00 0.02 0.00 0.00 34.13 34.31 2tbd s GLU 118 CO 0.12 -0.42 0.30 0.43 -1.84 0.00 0.00 175.26 173.85 2tbd n SER 119 N -0.79 1.97 -4.84 0.83 7.64 -1.04 -4.95 113.62 112.45 2tbd n SER 119 Ca -0.04 -0.07 -0.32 0.00 1.01 0.00 0.00 58.87 59.44 2tbd n SER 119 Cb 0.61 1.53 -0.03 0.00 -1.01 0.00 0.00 64.21 65.30 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 -3.76 3.64 -0.04 -3.43 1.43 -1.26 -4.68 118.68 110.57 2tbd s LEU 120 Ca -0.04 1.59 -0.01 0.00 -1.03 0.00 0.00 54.13 54.64 2tbd s LEU 120 Cb 0.08 -4.51 -0.02 0.00 0.03 0.00 0.00 46.19 41.77 2tbd s LEU 120 CO 0.52 -0.61 2.29 -0.81 0.23 0.00 0.00 176.35 177.97 2tbd n PRO 121 N -1.55 1.27 0.00 1.29 -0.04 -1.26 -4.10 135.00 130.61 2tbd n PRO 121 Ca 0.07 -0.36 0.00 0.00 -0.04 0.00 0.00 63.50 63.16 2tbd n PRO 121 Cb 0.54 -1.25 0.00 0.00 -0.04 0.00 0.00 33.50 32.75 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 1.54 0.91 0.00 0.55 0.00 -1.26 -5.11 105.19 101.82 2tbd n GLY 122 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 0.41 3.85 -0.02 0.00 -1.26 -5.05 105.19 103.11 2tbd n GLY 123 Ca 0.00 -1.84 -0.33 0.00 0.00 0.00 0.00 46.02 43.85 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 4.13 0.00 0.99 1.43 -1.26 -4.85 118.68 119.12 2tbd s LEU 124 Ca 0.00 1.26 0.00 0.00 -1.03 0.00 0.00 54.13 54.36 2tbd s LEU 124 Cb 0.00 -3.92 -0.00 0.00 0.03 0.00 0.00 46.19 42.30 2tbd s LEU 124 CO 0.00 -0.14 0.00 0.29 0.23 0.00 0.00 176.35 176.73 2tbd n LYS 125 N -0.11 1.54 0.14 1.70 4.01 -1.26 -5.00 118.16 119.18 2tbd n LYS 125 Ca 0.02 -1.32 -0.06 0.00 -0.51 0.00 0.00 58.31 56.44 2tbd n LYS 125 Cb 0.53 0.36 -0.03 0.00 -0.51 0.00 0.00 35.03 35.38 2tbd n LYS 125 CO 0.00 0.00 0.00 0.93 -1.11 0.00 0.00 177.40 177.22 2tbd h GLU 126 N 0.00 -0.37 0.00 1.97 5.08 -1.99 -3.43 114.58 115.84 2tbd h GLU 126 Ca -0.15 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 2tbd h GLU 126 Cb 0.45 0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.79 2tbd h GLU 126 CO 0.25 -0.24 0.00 -2.39 -1.00 0.00 0.00 179.01 175.62 2tbd n HIS 127 N -3.19 -0.28 -1.89 4.33 1.44 -1.26 -4.96 115.22 109.40 2tbd n HIS 127 Ca -0.05 0.00 -0.30 0.00 -2.01 0.00 0.00 57.72 55.37 2tbd n HIS 127 Cb 0.16 0.00 0.21 0.00 0.12 0.00 0.00 29.99 30.48 2tbd n HIS 127 CO 0.00 0.00 0.00 -0.40 -2.81 0.00 0.00 176.34 173.13 2tbd n ASP 128 N 0.00 -0.01 -4.32 4.39 5.68 -1.26 -5.02 116.55 116.01 2tbd n ASP 128 Ca 0.00 -1.47 -0.29 0.00 -0.50 0.00 0.00 54.79 52.53 2tbd n ASP 128 Cb 0.00 -1.03 -0.14 0.00 -1.14 0.00 0.00 41.12 38.81 2tbd n ASP 128 CO 0.00 0.00 0.00 -0.36 -1.33 0.00 0.00 177.20 175.51 2tbd s PHE 129 N -3.90 2.18 0.22 2.11 0.08 -1.26 -4.49 117.98 112.92 2tbd s PHE 129 Ca 0.76 -0.40 -0.20 0.00 0.12 0.00 0.00 56.93 57.22 2tbd s PHE 129 Cb -0.02 -1.28 0.03 0.00 -0.57 0.00 0.00 43.02 41.18 2tbd s PHE 129 CO 0.54 0.15 0.61 -0.80 -0.10 0.00 0.00 175.22 175.61 2tbd s ASN 130 N -1.35 -0.31 0.88 1.36 -0.87 -1.24 -4.78 114.94 108.64 2tbd s ASN 130 Ca 0.11 -0.46 -0.13 0.00 -1.57 0.00 0.00 52.86 50.80 2tbd s ASN 130 Cb -0.10 0.64 0.12 0.00 -0.02 0.00 0.00 41.25 41.90 2tbd s ASN 130 CO 0.03 -1.15 1.18 -2.16 -2.57 0.00 0.00 177.10 172.42 2tbd s PRO 131 N -3.88 1.36 0.25 -0.60 0.04 -1.26 -4.75 135.00 126.17 2tbd s PRO 131 Ca 0.09 0.12 -0.30 0.00 0.04 0.00 0.00 61.00 60.95 2tbd s PRO 131 Cb -0.03 -1.88 -0.14 0.00 0.04 0.00 0.00 34.50 32.49 2tbd s PRO 131 CO -0.00 -2.02 1.12 0.39 0.04 0.00 0.00 177.00 176.54 2tbd n GLU 132 N -3.61 1.43 0.00 4.56 4.71 -1.26 -4.85 120.64 121.62 2tbd n GLU 132 Ca 0.08 0.50 0.12 0.00 -0.01 0.00 0.00 57.16 57.86 2tbd n GLU 132 Cb 0.60 -1.96 0.21 0.00 -1.01 0.00 0.00 31.44 29.27 2tbd n GLU 132 CO 0.00 0.00 0.00 0.43 0.09 0.00 0.00 177.13 177.65 2tbd n SER 133 N 1.57 0.56 0.00 1.62 7.64 -1.26 -5.20 113.62 118.54 2tbd n SER 133 Ca 0.11 -0.29 0.00 0.00 1.01 0.00 0.00 58.87 59.70 2tbd n SER 133 Cb 0.30 0.33 0.00 0.00 -1.01 0.00 0.00 64.21 63.83 2tbd n SER 133 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79