#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 1.49 -0.19 1.61 0.15 -1.26 -5.13 113.70 110.37 2tbd s SER 2 Ca 0.00 -0.23 -0.29 0.00 0.70 0.00 0.00 55.95 56.13 2tbd s SER 2 Cb 0.00 -0.67 0.13 0.00 -1.71 0.00 0.00 66.02 63.77 2tbd s SER 2 CO 0.00 -0.02 1.03 -0.75 1.20 0.00 0.00 173.24 174.70 2tbd s LYS 3 N 0.90 0.54 0.05 5.44 2.20 -1.26 -5.12 119.74 122.49 2tbd s LYS 3 Ca -0.11 0.23 -0.37 0.00 -0.36 0.00 0.00 55.97 55.37 2tbd s LYS 3 Cb -0.15 0.26 -0.19 0.00 -1.51 0.00 0.00 37.83 36.24 2tbd s LYS 3 CO 0.01 -0.15 1.00 1.55 -0.36 0.00 0.00 175.35 177.40 2tbd n VAL 4 N 1.06 0.42 -2.32 4.02 3.14 -1.26 -4.76 118.33 118.63 2tbd n VAL 4 Ca -0.10 -0.10 -0.38 0.00 -2.96 0.00 0.00 64.34 60.79 2tbd n VAL 4 Cb 0.57 -0.12 -0.03 0.00 -1.06 0.00 0.00 33.84 33.20 2tbd n VAL 4 CO 0.00 0.00 0.00 -0.70 -6.46 0.00 0.00 176.83 169.67 2tbd s GLU 5 N -0.17 2.97 0.29 1.45 2.12 -1.26 -4.95 118.70 119.16 2tbd s GLU 5 Ca 0.84 -0.07 -0.28 0.00 0.36 0.00 0.00 54.97 55.83 2tbd s GLU 5 Cb -1.16 -4.51 -0.14 0.00 0.26 0.00 0.00 34.13 28.58 2tbd s GLU 5 CO 0.56 -2.50 0.97 -0.25 -0.54 0.00 0.00 175.26 173.49 2tbd n ASP 6 N 11.03 1.11 -4.71 -1.70 9.92 -1.26 -4.89 116.55 126.05 2tbd n ASP 6 Ca 0.17 1.17 -0.42 0.00 -0.53 0.00 0.00 54.79 55.18 2tbd n ASP 6 Cb 0.50 -1.27 -0.03 0.00 -0.64 0.00 0.00 41.12 39.68 2tbd n ASP 6 CO 0.00 0.00 0.00 -2.16 0.13 0.00 0.00 177.20 175.17 2tbd s PRO 7 N -1.55 4.50 0.00 -0.24 0.04 -1.26 -4.93 135.00 131.57 2tbd s PRO 7 Ca 0.59 1.50 0.29 0.00 0.04 0.00 0.00 61.00 63.42 2tbd s PRO 7 Cb -0.71 -3.46 1.20 0.00 0.04 0.00 0.00 34.50 31.57 2tbd s PRO 7 CO 0.60 -0.16 1.83 0.36 0.04 0.00 0.00 177.00 179.67 2tbd n LYS 8 N 4.16 1.00 0.00 4.56 2.85 -1.26 -4.95 118.16 124.52 2tbd n LYS 8 Ca 0.07 -0.43 0.00 0.00 -1.05 0.00 0.00 58.31 56.91 2tbd n LYS 8 Cb 0.49 -1.49 0.00 0.00 -0.65 0.00 0.00 35.03 33.38 2tbd n LYS 8 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 2tbd n ASP 9 N -0.63 0.00 -4.83 -5.58 -0.08 -1.26 -5.04 116.55 99.14 2tbd n ASP 9 Ca 0.17 0.00 -0.31 0.00 -1.51 0.00 0.00 54.79 53.13 2tbd n ASP 9 Cb 0.29 0.00 0.03 0.00 2.34 0.00 0.00 41.12 43.78 2tbd n ASP 9 CO 0.00 0.00 0.00 -0.36 0.12 0.00 0.00 177.20 176.96 2tbd s PHE 10 N -1.57 3.22 0.05 -0.67 0.40 -1.26 -5.00 117.98 113.14 2tbd s PHE 10 Ca 0.00 1.41 -0.30 0.00 -0.60 0.00 0.00 56.93 57.44 2tbd s PHE 10 Cb 0.00 -2.86 -0.04 0.00 0.51 0.00 0.00 43.02 40.63 2tbd s PHE 10 CO 0.00 -1.07 1.03 -1.25 0.70 0.00 0.00 175.22 174.64 2tbd s PRO 11 N -4.90 4.56 0.55 0.24 0.04 -1.26 -4.90 135.00 129.34 2tbd s PRO 11 Ca 0.58 1.53 0.43 0.00 0.04 0.00 0.00 61.00 63.57 2tbd s PRO 11 Cb -0.13 -3.41 1.62 0.00 0.04 0.00 0.00 34.50 32.62 2tbd s PRO 11 CO 0.51 -0.04 1.68 0.66 0.04 0.00 0.00 177.00 179.85 2tbd h SER 12 N 6.46 0.00 0.00 6.66 4.64 -1.97 0.30 113.55 129.64 2tbd h SER 12 Ca -0.42 0.00 0.02 0.00 -0.47 0.00 0.00 61.79 60.93 2tbd h SER 12 Cb 1.22 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.28 2tbd h SER 12 CO 0.76 0.00 -0.15 -0.08 -0.87 0.00 0.00 176.83 176.49 2tbd h GLU 13 N 0.00 -0.24 -0.00 4.77 4.57 -2.04 -1.20 114.58 120.44 2tbd h GLU 13 Ca 0.73 0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.92 2tbd h GLU 13 Cb 2.96 0.05 0.00 0.00 -0.16 0.00 0.00 28.75 31.60 2tbd h GLU 13 CO -0.01 -0.16 -0.10 1.28 -1.18 0.00 0.00 179.01 178.84 2tbd n LEU 14 N -5.28 0.15 0.00 1.64 4.77 0.92 -3.29 117.00 115.91 2tbd n LEU 14 Ca -0.05 0.31 0.06 0.00 -0.03 0.00 0.00 56.01 56.30 2tbd n LEU 14 Cb 0.20 -0.38 0.31 0.00 -2.33 0.00 0.00 43.42 41.22 2tbd n LEU 14 CO 0.26 0.03 0.68 0.18 -1.33 0.00 0.00 177.39 177.21 2tbd n LEU 15 N -1.39 0.00 0.29 2.23 4.77 -0.45 -2.46 117.00 119.99 2tbd n LEU 15 Ca 0.09 0.35 0.17 0.00 -0.03 0.00 0.00 56.01 56.59 2tbd n LEU 15 Cb 0.31 -0.35 0.87 0.00 -2.33 0.00 0.00 43.42 41.93 2tbd n LEU 15 CO 0.27 -0.20 1.05 0.28 -1.33 0.00 0.00 177.39 177.46 2tbd h SER 16 N 0.00 0.00 -1.62 -1.43 0.02 -1.56 -3.34 113.55 105.61 2tbd h SER 16 Ca 0.00 0.00 -0.39 0.00 -0.84 0.00 0.00 61.79 60.56 2tbd h SER 16 Cb 0.15 0.00 -0.28 0.00 0.14 0.00 0.00 62.40 62.41 2tbd h SER 16 CO 0.00 0.05 -0.77 2.22 -1.14 0.00 0.00 176.83 177.19 2tbd n PHE 17 N -3.35 -2.17 -4.03 3.45 1.16 -1.03 -5.13 117.46 106.36 2tbd n PHE 17 Ca -0.02 -2.47 -0.02 0.00 -1.87 0.00 0.00 57.45 53.07 2tbd n PHE 17 Cb 0.20 0.77 -0.01 0.00 -1.61 0.00 0.00 39.48 38.83 2tbd n PHE 17 CO 0.00 0.00 0.00 1.28 -1.87 0.00 0.00 176.76 176.17 2tbd n LEU 18 N 2.64 0.00 -0.11 5.98 4.77 -1.26 -4.67 117.00 124.36 2tbd n LEU 18 Ca 0.23 -0.28 -0.15 0.00 -0.03 0.00 0.00 56.01 55.78 2tbd n LEU 18 Cb 0.53 0.14 -0.14 0.00 -2.33 0.00 0.00 43.42 41.62 2tbd n LEU 18 CO 0.05 -0.05 -1.23 -1.20 -1.33 0.00 0.00 177.39 173.63 2tbd n SER 19 N -2.80 1.20 -3.51 -1.43 7.64 -1.26 -4.56 113.62 108.91 2tbd n SER 19 Ca 0.01 -0.05 -0.21 0.00 1.01 0.00 0.00 58.87 59.62 2tbd n SER 19 Cb 0.05 0.11 0.08 0.00 -1.01 0.00 0.00 64.21 63.45 2tbd n SER 19 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 2tbd n HIS 20 N -3.07 -2.60 -3.63 1.43 -0.00 -1.26 -4.98 115.22 101.10 2tbd n HIS 20 Ca -0.40 0.98 -0.10 0.00 -0.00 0.00 0.00 57.72 58.20 2tbd n HIS 20 Cb 1.06 -5.03 -0.03 0.00 -0.00 0.00 0.00 29.99 25.99 2tbd n HIS 20 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2tbd s ALA 21 N -3.33 -1.24 0.00 -1.41 0.00 -1.26 -5.11 121.76 109.41 2tbd s ALA 21 Ca 0.36 0.04 0.00 0.00 0.00 0.00 0.00 51.96 52.36 2tbd s ALA 21 Cb -0.16 0.85 0.00 0.00 0.00 0.00 0.00 23.12 23.82 2tbd s ALA 21 CO 0.72 -0.82 0.00 0.28 0.00 0.00 0.00 175.76 175.94 2tbd n VAL 22 N -0.37 0.00 -0.88 0.00 0.31 -1.26 -4.37 118.33 111.76 2tbd n VAL 22 Ca -0.12 0.00 -0.14 0.00 -0.01 0.00 0.00 64.34 64.07 2tbd n VAL 22 Cb 0.63 -0.71 0.00 0.00 -0.91 0.00 0.00 33.84 32.85 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 -2.38 1.07 -0.15 3.52 3.01 -1.26 -3.54 117.46 117.73 2tbd n PHE 23 Ca 0.00 -1.70 -0.11 0.00 1.01 0.00 0.00 57.45 56.65 2tbd n PHE 23 Cb 0.00 -0.95 0.11 0.00 -0.01 0.00 0.00 39.48 38.63 2tbd n PHE 23 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 2tbd n SER 24 N 0.84 -2.58 -0.03 4.37 2.88 -1.26 -4.95 113.62 112.88 2tbd n SER 24 Ca 0.26 -0.32 -0.03 0.00 -1.33 0.00 0.00 58.87 57.45 2tbd n SER 24 Cb 0.58 -0.41 -0.06 0.00 -0.75 0.00 0.00 64.21 63.57 2tbd n SER 24 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 2tbd n ASN 25 N -3.14 3.13 -4.61 -3.46 2.85 -1.26 -4.87 115.26 103.90 2tbd n ASN 25 Ca 0.05 0.00 -0.29 0.00 -0.11 0.00 0.00 54.58 54.23 2tbd n ASN 25 Cb 0.22 0.74 0.20 0.00 1.24 0.00 0.00 39.78 42.18 2tbd n ASN 25 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2tbd s ARG 26 N -2.21 0.16 -0.21 1.20 1.70 -1.26 -5.02 118.95 113.31 2tbd s ARG 26 Ca -0.04 0.91 0.02 0.00 -0.47 0.00 0.00 55.73 56.15 2tbd s ARG 26 Cb 0.02 -1.67 0.04 0.00 -0.57 0.00 0.00 34.95 32.77 2tbd s ARG 26 CO 0.31 -3.02 -0.14 0.95 -1.08 0.00 0.00 175.30 172.32 2tbd s THR 27 N -2.69 1.95 -0.04 4.99 -4.23 -1.26 -4.68 115.64 109.68 2tbd s THR 27 Ca 0.66 -1.15 0.06 0.00 -1.18 0.00 0.00 61.69 60.08 2tbd s THR 27 Cb -0.22 -1.92 -0.01 0.00 1.34 0.00 0.00 72.50 71.69 2tbd s THR 27 CO 0.60 0.26 -0.22 -1.48 -0.54 0.00 0.00 174.62 173.25 2tbd s LEU 28 N 1.27 2.01 0.00 4.79 2.34 -0.91 -4.83 118.68 123.36 2tbd s LEU 28 Ca -0.01 -0.42 0.24 0.00 0.06 0.00 0.00 54.13 53.99 2tbd s LEU 28 Cb -0.16 -1.17 0.78 0.00 -0.56 0.00 0.00 46.19 45.09 2tbd s LEU 28 CO -0.09 0.23 1.58 0.00 -1.06 0.00 0.00 176.35 177.01 2tbd n ALA 29 N 2.86 2.53 -3.06 1.48 0.00 -1.26 -3.86 120.51 119.19 2tbd n ALA 29 Ca -0.17 -0.55 -0.37 0.00 0.00 0.00 0.00 53.44 52.35 2tbd n ALA 29 Cb 0.52 -1.07 -0.12 0.00 0.00 0.00 0.00 19.45 18.78 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 1.59 1.63 -0.11 0.00 0.40 -1.09 -1.84 117.98 118.56 2tbd s PHE 31 Ca 0.05 -0.58 -0.01 0.00 -0.60 0.00 0.00 56.93 55.79 2tbd s PHE 31 Cb -0.16 -0.78 0.03 0.00 0.51 0.00 0.00 43.02 42.62 2tbd s PHE 31 CO 0.04 0.29 -0.03 0.00 0.70 0.00 0.00 175.22 176.22 2tbd s ALA 32 N -2.82 1.06 -0.43 5.36 0.00 -0.87 -2.23 121.76 121.83 2tbd s ALA 32 Ca 0.19 -0.41 -0.14 0.00 0.00 0.00 0.00 51.96 51.60 2tbd s ALA 32 Cb -0.01 -0.88 0.04 0.00 0.00 0.00 0.00 23.12 22.27 2tbd s ALA 32 CO 0.06 -0.53 0.32 0.42 0.00 0.00 0.00 175.76 176.03 2tbd s ILE 33 N 1.82 5.07 -0.27 0.00 1.01 -0.72 -2.28 121.20 125.83 2tbd s ILE 33 Ca 0.04 -0.89 -0.16 0.00 0.00 0.00 0.00 60.65 59.64 2tbd s ILE 33 Cb -0.13 -3.92 -0.03 0.00 0.01 0.00 0.00 42.46 38.39 2tbd s ILE 33 CO -0.07 -0.41 0.42 -0.47 0.00 0.00 0.00 174.94 174.41 2tbd s TYR 34 N 1.63 3.25 0.10 3.97 5.04 0.86 -1.41 117.35 130.79 2tbd s TYR 34 Ca 0.04 0.46 -0.25 0.00 -2.44 0.00 0.00 57.07 54.88 2tbd s TYR 34 Cb -0.21 -2.63 0.08 0.00 0.35 0.00 0.00 41.96 39.55 2tbd s TYR 34 CO 0.08 -0.26 1.15 -0.08 -1.34 0.00 0.00 175.55 175.09 2tbd s THR 35 N 2.15 0.00 0.80 4.34 -1.32 -1.06 -1.21 115.64 119.33 2tbd s THR 35 Ca 0.17 -0.40 -0.15 0.00 -1.21 0.00 0.00 61.69 60.10 2tbd s THR 35 Cb -0.16 -3.00 0.00 0.00 -1.51 0.00 0.00 72.50 67.83 2tbd s THR 35 CO 0.10 0.00 0.62 0.35 -2.21 0.00 0.00 174.62 173.48 2tbd n THR 36 N -0.82 1.43 -0.06 5.08 -2.24 -1.26 -1.76 114.28 114.66 2tbd n THR 36 Ca 0.01 -0.32 -0.11 0.00 -2.27 0.00 0.00 64.05 61.36 2tbd n THR 36 Cb 0.59 -0.80 -0.05 0.00 -2.10 0.00 0.00 70.33 67.97 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 -0.75 0.31 -1.01 -0.78 2.10 -1.90 -2.05 116.57 112.48 2tbd h LYS 37 Ca -0.45 -0.07 0.29 0.00 -2.00 0.00 0.00 60.65 58.42 2tbd h LYS 37 Cb 1.32 -0.04 -0.04 0.00 -0.90 0.00 0.00 32.23 32.57 2tbd h LYS 37 CO 0.41 0.42 0.82 1.49 -2.00 0.00 0.00 179.45 180.59 2tbd h GLU 38 N 0.13 0.00 0.22 0.07 4.81 -1.98 0.62 114.58 118.45 2tbd h GLU 38 Ca 0.06 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.28 2tbd h GLU 38 Cb 0.25 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.63 2tbd h GLU 38 CO -0.00 0.00 -0.10 0.87 -0.73 0.00 0.00 179.01 179.05 2tbd h LYS 39 N 0.00 -0.28 0.00 1.92 6.56 -1.71 -3.15 116.57 119.91 2tbd h LYS 39 Ca 0.48 0.02 0.00 0.00 -1.06 0.00 0.00 60.65 60.09 2tbd h LYS 39 Cb 2.11 0.06 0.00 0.00 -0.57 0.00 0.00 32.23 33.83 2tbd h LYS 39 CO -0.01 -0.07 0.00 0.00 -2.06 0.00 0.00 179.45 177.31 2tbd n ALA 40 N -2.71 1.03 0.01 3.86 0.00 -0.35 -1.11 120.51 121.23 2tbd n ALA 40 Ca -0.05 0.15 -0.08 0.00 0.00 0.00 0.00 53.44 53.46 2tbd n ALA 40 Cb 0.17 -1.24 0.08 0.00 0.00 0.00 0.00 19.45 18.47 2tbd n ALA 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2tbd h ALA 41 N 2.00 0.77 0.08 0.00 0.00 -0.90 -0.65 119.26 120.56 2tbd h ALA 41 Ca 0.00 -0.49 -0.32 0.00 0.00 0.00 0.00 54.91 54.11 2tbd h ALA 41 Cb 0.00 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 2tbd h ALA 41 CO 0.00 0.67 -1.72 -0.07 0.00 0.00 0.00 179.25 178.14 2tbd h LEU 42 N 0.41 0.27 0.47 0.00 3.38 -1.17 -3.25 115.31 115.42 2tbd h LEU 42 Ca 0.02 -0.79 -0.02 0.00 0.09 0.00 0.00 57.88 57.18 2tbd h LEU 42 Cb 1.03 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.69 2tbd h LEU 42 CO 0.09 1.72 -0.23 -0.07 0.09 0.00 0.00 178.44 180.05 2tbd h LEU 43 N -0.33 -0.54 -0.09 1.67 3.38 -1.42 -0.70 115.31 117.28 2tbd h LEU 43 Ca -0.39 -0.02 0.02 0.00 0.09 0.00 0.00 57.88 57.58 2tbd h LEU 43 Cb 1.76 0.14 -0.04 0.00 0.09 0.00 0.00 40.66 42.61 2tbd h LEU 43 CO -0.02 -0.33 -0.37 0.22 0.09 0.00 0.00 178.44 178.03 2tbd h TYR 44 N -0.71 -1.09 -1.15 1.13 5.03 -1.31 0.43 116.97 119.31 2tbd h TYR 44 Ca -0.06 0.04 0.33 0.00 2.58 0.00 0.00 58.73 61.62 2tbd h TYR 44 Cb 0.52 0.49 -0.05 0.00 1.55 0.00 0.00 36.73 39.24 2tbd h TYR 44 CO -0.03 -0.37 0.82 0.87 -1.32 0.00 0.00 178.16 178.13 2tbd h LYS 45 N -0.39 0.04 0.00 1.82 1.57 -1.58 -1.96 116.57 116.07 2tbd h LYS 45 Ca 0.02 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 2tbd h LYS 45 Cb 0.46 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.76 2tbd h LYS 45 CO -0.30 0.03 0.00 1.63 -0.57 0.00 0.00 179.45 180.24 2tbd n LYS 46 N -4.24 0.00 -0.35 3.15 4.76 0.12 -4.04 118.16 117.56 2tbd n LYS 46 Ca 0.25 0.16 0.34 0.00 -2.87 0.00 0.00 58.31 56.19 2tbd n LYS 46 Cb 1.19 -0.64 0.52 0.00 -1.84 0.00 0.00 35.03 34.26 2tbd n LYS 46 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 2tbd n ILE 47 N -1.10 0.00 -0.32 -0.18 2.08 0.66 -1.25 119.36 119.25 2tbd n ILE 47 Ca 0.00 1.24 0.15 0.00 0.56 0.00 0.00 62.75 64.71 2tbd n ILE 47 Cb 0.00 -2.18 0.32 0.00 -0.75 0.00 0.00 39.64 37.03 2tbd n ILE 47 CO 0.00 0.00 0.00 0.24 0.56 0.00 0.00 176.55 177.35 2tbd h MET 48 N 0.00 0.08 -0.03 0.38 2.86 -1.49 -1.02 114.93 115.71 2tbd h MET 48 Ca 0.60 -0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.23 2tbd h MET 48 Cb 3.00 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 34.65 2tbd h MET 48 CO -0.01 0.05 0.00 0.39 1.06 0.00 0.00 176.91 178.41 2tbd n GLU 49 N -5.36 0.28 0.03 1.72 -0.58 -0.38 -3.71 120.64 112.63 2tbd n GLU 49 Ca 0.24 -0.96 -0.07 0.00 -0.42 0.00 0.00 57.16 55.94 2tbd n GLU 49 Cb 0.78 -1.10 -0.12 0.00 -0.57 0.00 0.00 31.44 30.43 2tbd n GLU 49 CO 0.00 0.00 0.00 -0.22 -0.48 0.00 0.00 177.13 176.43 2tbd h LYS 50 N 0.92 0.00 0.00 3.49 3.64 -1.05 -3.37 116.57 120.19 2tbd h LYS 50 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2tbd h LYS 50 Cb 0.27 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.09 2tbd h LYS 50 CO 0.00 0.77 -0.02 0.66 -2.27 0.00 0.00 179.45 178.59 2tbd n TYR 51 N -3.22 0.00 -3.79 1.91 4.02 -0.93 -5.02 117.16 110.13 2tbd n TYR 51 Ca -0.07 -0.18 -0.35 0.00 -0.01 0.00 0.00 57.90 57.29 2tbd n TYR 51 Cb 0.97 -0.02 0.03 0.00 -0.02 0.00 0.00 39.34 40.31 2tbd n TYR 51 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 2tbd n SER 52 N -0.19 -5.03 -4.68 7.72 2.88 -1.24 -3.88 113.62 109.20 2tbd n SER 52 Ca 0.00 -1.07 -0.46 0.00 -1.33 0.00 0.00 58.87 56.01 2tbd n SER 52 Cb 0.43 -2.78 -0.04 0.00 -0.75 0.00 0.00 64.21 61.06 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 -4.26 0.44 -0.19 2.46 0.24 -1.25 -4.22 118.33 111.55 2tbd n VAL 53 Ca -0.11 -0.08 0.17 0.00 -2.04 0.00 0.00 64.34 62.28 2tbd n VAL 53 Cb 0.59 -1.91 0.51 0.00 -1.47 0.00 0.00 33.84 31.56 2tbd n VAL 53 CO 0.00 0.00 0.00 0.74 -2.14 0.00 0.00 176.83 175.43 2tbd h THR 54 N 4.92 0.76 -1.79 3.34 2.02 -1.85 -3.42 112.91 116.90 2tbd h THR 54 Ca -0.47 -0.14 0.03 0.00 0.77 0.00 0.00 66.41 66.60 2tbd h THR 54 Cb 1.25 0.32 -0.24 0.00 -1.74 0.00 0.00 68.15 67.74 2tbd h THR 54 CO 0.93 0.07 0.25 0.12 0.37 0.00 0.00 175.52 177.27 2tbd s PHE 55 N -5.41 -0.71 -0.03 3.16 5.36 -1.26 -4.98 117.98 114.11 2tbd s PHE 55 Ca -0.08 1.59 -0.04 0.00 -0.96 0.00 0.00 56.93 57.44 2tbd s PHE 55 Cb 0.21 0.39 0.01 0.00 -0.34 0.00 0.00 43.02 43.30 2tbd s PHE 55 CO 0.77 -0.35 0.11 -1.50 -1.46 0.00 0.00 175.22 172.79 2tbd s ILE 56 N 0.79 0.03 -0.22 3.12 2.07 -1.25 -2.47 121.20 123.26 2tbd s ILE 56 Ca -0.03 -0.21 -0.25 0.00 -1.41 0.00 0.00 60.65 58.75 2tbd s ILE 56 Cb -0.05 -0.23 0.07 0.00 0.13 0.00 0.00 42.46 42.38 2tbd s ILE 56 CO -0.09 -0.12 0.68 -0.55 -1.91 0.00 0.00 174.94 172.96 2tbd s SER 57 N -0.35 -0.70 -0.15 4.50 0.15 -0.98 -3.06 113.70 113.11 2tbd s SER 57 Ca -0.04 1.26 -0.13 0.00 0.70 0.00 0.00 55.95 57.73 2tbd s SER 57 Cb -0.03 1.24 -0.05 0.00 -1.71 0.00 0.00 66.02 65.48 2tbd s SER 57 CO 0.00 -0.31 0.29 -0.13 1.20 0.00 0.00 173.24 174.29 2tbd s ARG 58 N 0.07 4.20 0.21 5.44 0.52 -0.45 -2.30 118.95 126.65 2tbd s ARG 58 Ca -0.02 0.09 0.03 0.00 -0.52 0.00 0.00 55.73 55.31 2tbd s ARG 58 Cb -0.04 -3.41 -0.05 0.00 0.52 0.00 0.00 34.95 31.98 2tbd s ARG 58 CO 0.03 0.28 0.01 -1.01 0.02 0.00 0.00 175.30 174.63 2tbd s HIS 59 N 0.33 1.44 -0.38 -0.53 3.76 -0.94 -1.54 115.29 117.43 2tbd s HIS 59 Ca 0.16 -0.99 -0.11 0.00 -0.15 0.00 0.00 55.06 53.98 2tbd s HIS 59 Cb -0.13 -0.83 0.03 0.00 1.11 0.00 0.00 32.58 32.76 2tbd s HIS 59 CO 0.04 -0.13 0.22 -0.80 -0.85 0.00 0.00 174.74 173.21 2tbd s ASN 60 N -3.26 5.77 0.00 1.40 0.02 -0.97 -1.57 114.94 116.33 2tbd s ASN 60 Ca 0.28 -1.01 0.00 0.00 -1.02 0.00 0.00 52.86 51.11 2tbd s ASN 60 Cb 0.06 -2.03 0.00 0.00 0.02 0.00 0.00 41.25 39.30 2tbd s ASN 60 CO 0.08 -0.40 0.00 -0.24 0.02 0.00 0.00 177.10 176.56 2tbd n SER 61 N 5.01 0.00 0.11 -1.22 2.88 -1.13 -2.12 113.62 117.15 2tbd n SER 61 Ca -0.12 0.21 0.00 0.00 -1.33 0.00 0.00 58.87 57.63 2tbd n SER 61 Cb 0.46 -0.29 0.00 0.00 -0.75 0.00 0.00 64.21 63.63 2tbd n SER 61 CO 0.00 0.00 0.00 -1.22 -1.23 0.00 0.00 175.04 172.59 2tbd n TYR 62 N -1.58 -2.17 -0.10 0.66 4.02 -1.26 -4.76 117.16 111.98 2tbd n TYR 62 Ca 0.00 0.46 -0.16 0.00 -0.01 0.00 0.00 57.90 58.20 2tbd n TYR 62 Cb 0.00 1.07 -0.08 0.00 -0.02 0.00 0.00 39.34 40.30 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 -3.12 2.23 -0.71 7.72 4.13 -1.26 -5.06 115.26 119.18 2tbd n ASN 63 Ca 0.00 -0.01 0.00 0.00 1.68 0.00 0.00 54.58 56.25 2tbd n ASN 63 Cb 0.00 -0.38 0.00 0.00 -1.54 0.00 0.00 39.78 37.86 2tbd n ASN 63 CO 0.00 0.00 0.00 1.41 0.28 0.00 0.00 177.26 178.95 2tbd n HIS 64 N -3.29 0.00 -4.57 3.10 8.25 -1.26 -4.97 115.22 112.48 2tbd n HIS 64 Ca -0.36 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 56.79 2tbd n HIS 64 Cb 0.84 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.84 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 0.16 4.24 0.34 0.41 -0.87 -0.72 -2.82 114.94 115.69 2tbd s ASN 65 Ca 0.00 -0.27 0.03 0.00 -1.57 0.00 0.00 52.86 51.05 2tbd s ASN 65 Cb 0.00 -0.87 -0.02 0.00 -0.02 0.00 0.00 41.25 40.34 2tbd s ASN 65 CO 0.00 0.27 0.51 -0.63 -2.57 0.00 0.00 177.10 174.68 2tbd s ILE 66 N -0.95 4.72 -0.24 0.60 1.09 -0.61 -2.56 121.20 123.25 2tbd s ILE 66 Ca 0.16 -0.71 -0.04 0.00 -1.10 0.00 0.00 60.65 58.96 2tbd s ILE 66 Cb -0.11 -3.70 0.08 0.00 -1.06 0.00 0.00 42.46 37.68 2tbd s ILE 66 CO 0.06 -0.38 0.11 -0.22 -0.10 0.00 0.00 174.94 174.41 2tbd s LEU 67 N -4.25 0.65 0.41 2.97 2.96 -0.50 -2.21 118.68 118.71 2tbd s LEU 67 Ca 0.41 -1.04 -0.22 0.00 -0.22 0.00 0.00 54.13 53.05 2tbd s LEU 67 Cb -0.09 -0.37 -0.10 0.00 0.50 0.00 0.00 46.19 46.12 2tbd s LEU 67 CO 0.34 -0.40 0.96 -0.36 -1.32 0.00 0.00 176.35 175.57 2tbd s PHE 68 N 2.06 3.38 -0.30 5.38 0.08 -0.97 -1.76 117.98 125.85 2tbd s PHE 68 Ca 0.06 1.65 -0.04 0.00 0.12 0.00 0.00 56.93 58.72 2tbd s PHE 68 Cb -0.16 -2.89 0.19 0.00 -0.57 0.00 0.00 43.02 39.58 2tbd s PHE 68 CO -0.24 -0.10 0.82 -0.59 -0.10 0.00 0.00 175.22 175.00 2tbd s PHE 69 N -2.01 -1.15 0.60 0.36 -0.71 -0.95 -2.33 117.98 111.80 2tbd s PHE 69 Ca 0.59 0.82 -0.10 0.00 -1.04 0.00 0.00 56.93 57.20 2tbd s PHE 69 Cb -0.12 0.25 0.14 0.00 -1.21 0.00 0.00 43.02 42.08 2tbd s PHE 69 CO 0.17 -0.66 0.81 1.28 -1.34 0.00 0.00 175.22 175.48 2tbd n LEU 70 N 5.32 0.00 -3.57 -1.99 4.32 -1.03 -2.68 117.00 117.38 2tbd n LEU 70 Ca 0.04 -0.88 -0.17 0.00 -0.02 0.00 0.00 56.01 54.98 2tbd n LEU 70 Cb 0.55 -0.62 -0.07 0.00 -1.62 0.00 0.00 43.42 41.66 2tbd n LEU 70 CO -0.09 -1.08 0.38 0.42 -1.22 0.00 0.00 177.39 175.80 2tbd s THR 71 N -2.76 0.01 -0.02 -5.08 -4.23 0.25 -3.74 115.64 100.08 2tbd s THR 71 Ca 0.46 -0.05 -0.00 0.00 -1.18 0.00 0.00 61.69 60.92 2tbd s THR 71 Cb -0.01 -0.95 -0.00 0.00 1.34 0.00 0.00 72.50 72.88 2tbd s THR 71 CO 0.32 -0.03 0.01 1.55 -0.54 0.00 0.00 174.62 175.93 2tbd h PRO 72 N 3.47 -0.00 0.00 3.99 0.13 -1.73 -3.34 132.00 134.51 2tbd h PRO 72 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 2tbd h PRO 72 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 2tbd h PRO 72 CO 0.33 -0.00 0.16 -2.39 -0.23 0.00 0.00 178.00 175.88 2tbd n HIS 73 N -2.43 0.40 -1.08 1.56 1.44 -1.26 -4.92 115.22 108.93 2tbd n HIS 73 Ca -0.00 0.21 0.04 0.00 -2.01 0.00 0.00 57.72 55.96 2tbd n HIS 73 Cb 0.00 -0.71 -0.02 0.00 0.12 0.00 0.00 29.99 29.38 2tbd n HIS 73 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 2tbd n ARG 74 N -1.92 -2.74 -0.65 -1.40 1.74 -1.26 -5.04 116.66 105.40 2tbd n ARG 74 Ca -0.01 2.16 0.00 0.00 -0.77 0.00 0.00 57.85 59.23 2tbd n ARG 74 Cb 0.18 -2.81 0.00 0.00 -1.02 0.00 0.00 32.46 28.82 2tbd n ARG 74 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 2tbd n HIS 75 N -2.72 -0.64 -4.66 -1.55 -0.00 -1.25 -4.95 115.22 99.46 2tbd n HIS 75 Ca -0.02 0.00 -0.32 0.00 -0.00 0.00 0.00 57.72 57.38 2tbd n HIS 75 Cb 0.39 0.00 -0.12 0.00 -0.00 0.00 0.00 29.99 30.26 2tbd n HIS 75 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.34 177.37 2tbd s ARG 76 N -0.93 2.31 0.39 -0.41 0.52 -1.26 -2.14 118.95 117.44 2tbd s ARG 76 Ca 0.00 -0.84 0.23 0.00 -0.52 0.00 0.00 55.73 54.60 2tbd s ARG 76 Cb 0.00 -2.32 1.24 0.00 0.52 0.00 0.00 34.95 34.38 2tbd s ARG 76 CO 0.00 0.58 1.67 0.28 0.02 0.00 0.00 175.30 177.84 2tbd h VAL 77 N 3.99 0.00 0.10 3.52 2.07 -1.83 0.63 116.25 124.72 2tbd h VAL 77 Ca -0.47 0.00 -0.28 0.00 0.82 0.00 0.00 66.70 66.76 2tbd h VAL 77 Cb 1.16 0.50 0.02 0.00 -1.52 0.00 0.00 31.29 31.45 2tbd h VAL 77 CO 0.50 0.00 -1.19 0.77 0.02 0.00 0.00 177.57 177.67 2tbd h SER 78 N 0.00 0.76 0.03 0.57 4.64 -1.89 -1.34 113.55 116.31 2tbd h SER 78 Ca 0.00 -0.69 -0.00 0.00 -0.47 0.00 0.00 61.79 60.63 2tbd h SER 78 Cb 0.23 -0.24 0.00 0.00 -0.31 0.00 0.00 62.40 62.08 2tbd h SER 78 CO 0.00 1.51 -0.01 0.00 -0.87 0.00 0.00 176.83 177.45 2tbd h ALA 79 N 0.42 -0.04 -0.82 5.18 0.00 -1.27 -3.11 119.26 119.61 2tbd h ALA 79 Ca -0.16 -0.35 0.04 0.00 0.00 0.00 0.00 54.91 54.44 2tbd h ALA 79 Cb 1.86 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 19.62 2tbd h ALA 79 CO 0.22 -0.13 0.54 0.82 0.00 0.00 0.00 179.25 180.70 2tbd h ILE 80 N -0.82 1.13 -0.75 0.00 1.08 -1.50 0.28 117.51 116.94 2tbd h ILE 80 Ca -0.00 -0.35 0.15 0.00 -0.39 0.00 0.00 64.86 64.27 2tbd h ILE 80 Cb 0.71 0.03 -0.05 0.00 -3.07 0.00 0.00 36.82 34.45 2tbd h ILE 80 CO 0.01 0.18 0.50 -1.13 -0.69 0.00 0.00 178.15 177.02 2tbd h ASN 81 N 1.01 0.39 -0.95 1.72 -1.24 -1.26 0.19 115.58 115.45 2tbd h ASN 81 Ca 0.33 0.02 -0.00 0.00 0.71 0.00 0.00 56.30 57.36 2tbd h ASN 81 Cb 0.04 -0.06 -0.05 0.00 0.73 0.00 0.00 38.32 38.99 2tbd h ASN 81 CO -0.10 0.20 0.59 0.78 -1.29 0.00 0.00 177.43 177.62 2tbd h ASN 82 N 0.42 1.12 0.40 1.15 2.35 -0.86 0.68 115.58 120.84 2tbd h ASN 82 Ca 0.36 -0.05 -0.02 0.00 -0.55 0.00 0.00 56.30 56.04 2tbd h ASN 82 Cb 0.83 -0.28 0.00 0.00 0.05 0.00 0.00 38.32 38.92 2tbd h ASN 82 CO -0.12 0.84 -0.19 0.22 -1.65 0.00 0.00 177.43 176.53 2tbd h TYR 83 N 1.30 -0.50 0.00 1.19 3.20 -0.66 -2.50 116.97 119.00 2tbd h TYR 83 Ca 0.34 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.20 2tbd h TYR 83 Cb -0.09 0.16 0.00 0.00 1.54 0.00 0.00 36.73 38.35 2tbd h TYR 83 CO 0.00 -0.31 0.00 0.00 -1.64 0.00 0.00 178.16 176.21 2tbd n ALA 84 N -2.52 1.06 0.04 1.82 0.00 -0.75 -1.94 120.51 118.23 2tbd n ALA 84 Ca -0.07 -0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.16 2tbd n ALA 84 Cb 0.21 -1.02 -0.14 0.00 0.00 0.00 0.00 19.45 18.50 2tbd n ALA 84 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 2tbd h GLN 85 N 0.00 0.30 -0.06 0.00 5.75 0.62 -3.16 115.11 118.56 2tbd h GLN 85 Ca 0.00 -0.52 0.02 0.00 -0.15 0.00 0.00 58.65 58.00 2tbd h GLN 85 Cb 0.02 0.19 -0.00 0.00 1.07 0.00 0.00 27.48 28.76 2tbd h GLN 85 CO 0.00 1.25 0.12 0.87 -2.65 0.00 0.00 178.83 178.42 2tbd h LYS 86 N -0.30 0.00 -1.11 1.69 1.57 -0.94 0.33 116.57 117.81 2tbd h LYS 86 Ca -0.21 0.00 -0.67 0.00 -1.87 0.00 0.00 60.65 57.90 2tbd h LYS 86 Cb 1.74 0.00 -0.32 0.00 0.08 0.00 0.00 32.23 33.73 2tbd h LYS 86 CO 0.13 0.00 0.55 1.28 -0.57 0.00 0.00 179.45 180.84 2tbd n LEU 87 N -3.44 7.10 -0.00 2.94 4.77 -1.20 -4.29 117.00 122.88 2tbd n LEU 87 Ca -0.01 -4.48 0.05 0.00 -0.03 0.00 0.00 56.01 51.54 2tbd n LEU 87 Cb 0.20 -0.86 -0.07 0.00 -2.33 0.00 0.00 43.42 40.37 2tbd n LEU 87 CO 0.23 1.65 -0.10 0.00 -1.33 0.00 0.00 177.39 177.84 2tbd n THR 89 N -1.33 0.00 -0.21 0.00 5.66 -1.26 -4.38 114.28 112.76 2tbd n THR 89 Ca 0.02 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.02 2tbd n THR 89 Cb 0.19 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.97 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 0.00 -0.04 0.00 1.09 1.16 -1.26 -4.56 117.46 113.86 2tbd n PHE 90 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.58 2tbd n PHE 90 Cb 0.00 0.01 0.00 0.00 -1.61 0.00 0.00 39.48 37.88 2tbd n PHE 90 CO 0.00 0.00 0.00 0.45 -1.87 0.00 0.00 176.76 175.34 2tbd n SER 91 N -3.96 -1.17 -4.43 5.98 2.88 -1.26 -4.87 113.62 106.78 2tbd n SER 91 Ca 0.00 0.00 -0.31 0.00 -1.33 0.00 0.00 58.87 57.23 2tbd n SER 91 Cb 0.00 0.00 0.19 0.00 -0.75 0.00 0.00 64.21 63.65 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 -2.45 -1.01 -3.15 0.66 -1.74 -1.26 -4.99 117.46 103.51 2tbd n PHE 92 Ca 0.00 0.10 0.04 0.00 -0.56 0.00 0.00 57.45 57.04 2tbd n PHE 92 Cb 0.00 -1.72 -0.00 0.00 1.52 0.00 0.00 39.48 39.27 2tbd n PHE 92 CO 0.00 0.00 0.00 -1.17 -0.56 0.00 0.00 176.76 175.03 2tbd s LEU 93 N -4.02 -1.52 -0.54 5.98 1.98 -1.26 -4.50 118.68 114.81 2tbd s LEU 93 Ca 0.62 0.39 -0.14 0.00 -2.89 0.00 0.00 54.13 52.12 2tbd s LEU 93 Cb -0.20 2.05 0.13 0.00 0.66 0.00 0.00 46.19 48.83 2tbd s LEU 93 CO 0.65 -0.28 0.47 -0.63 -1.89 0.00 0.00 176.35 174.66 2tbd s ILE 94 N 2.84 4.89 -0.22 6.68 1.01 -0.35 -4.97 121.20 131.09 2tbd s ILE 94 Ca 0.14 -1.67 -0.07 0.00 0.00 0.00 0.00 60.65 59.04 2tbd s ILE 94 Cb -0.11 -4.15 -0.03 0.00 0.01 0.00 0.00 42.46 38.17 2tbd s ILE 94 CO -0.24 -0.85 0.07 0.00 0.00 0.00 0.00 174.94 173.92 2tbd s LYS 96 N 1.14 1.80 0.26 0.00 2.47 -0.97 -4.95 119.74 119.49 2tbd s LYS 96 Ca 0.04 -2.06 0.04 0.00 -1.56 0.00 0.00 55.97 52.43 2tbd s LYS 96 Cb -0.14 0.16 0.04 0.00 -1.46 0.00 0.00 37.83 36.43 2tbd s LYS 96 CO 0.03 -0.63 0.31 0.41 0.16 0.00 0.00 175.35 175.64 2tbd n GLY 97 N -0.69 2.20 3.13 5.54 0.00 -1.26 -2.06 105.19 112.05 2tbd n GLY 97 Ca 0.05 -2.19 -0.08 0.00 0.00 0.00 0.00 46.02 43.80 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 -0.78 0.17 -0.02 1.61 1.01 -0.76 -4.12 120.40 117.52 2tbd s VAL 98 Ca 0.24 -1.77 0.06 0.00 0.00 0.00 0.00 61.98 60.51 2tbd s VAL 98 Cb -0.02 -1.68 -0.09 0.00 0.00 0.00 0.00 36.38 34.59 2tbd s VAL 98 CO 0.15 -0.78 0.12 0.59 0.00 0.00 0.00 175.10 175.18 2tbd n ASN 99 N 0.02 3.57 -3.29 3.32 3.02 -1.26 -4.70 115.26 115.94 2tbd n ASN 99 Ca -0.11 0.00 -0.09 0.00 -0.03 0.00 0.00 54.58 54.35 2tbd n ASN 99 Cb 0.62 1.19 -0.05 0.00 -0.61 0.00 0.00 39.78 40.93 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 -2.39 0.66 0.31 3.52 1.02 -1.26 -5.00 119.74 116.59 2tbd s LYS 100 Ca -0.02 -0.43 0.00 0.00 0.02 0.00 0.00 55.97 55.54 2tbd s LYS 100 Cb 0.04 -0.33 0.50 0.00 -0.52 0.00 0.00 37.83 37.52 2tbd s LYS 100 CO 0.26 -1.16 1.91 1.49 -0.92 0.00 0.00 175.35 176.93 2tbd h GLU 101 N 7.27 0.85 -0.48 1.68 4.22 -1.93 -2.43 114.58 123.76 2tbd h GLU 101 Ca 0.02 -0.11 0.08 0.00 0.08 0.00 0.00 59.36 59.43 2tbd h GLU 101 Cb 1.11 -0.16 -0.10 0.00 0.50 0.00 0.00 28.75 30.11 2tbd h GLU 101 CO 0.18 0.66 -0.40 -0.92 -2.18 0.00 0.00 179.01 176.35 2tbd h TYR 102 N 0.85 -1.16 0.24 0.92 3.20 -1.97 -0.91 116.97 118.12 2tbd h TYR 102 Ca 0.21 0.07 -0.01 0.00 3.14 0.00 0.00 58.73 62.14 2tbd h TYR 102 Cb 0.10 0.58 0.00 0.00 1.54 0.00 0.00 36.73 38.95 2tbd h TYR 102 CO 0.01 -0.42 -0.11 1.25 -1.64 0.00 0.00 178.16 177.24 2tbd h LEU 103 N -0.27 -0.27 -0.11 2.82 7.12 -1.92 -1.72 115.31 120.97 2tbd h LEU 103 Ca 0.17 -0.22 0.01 0.00 0.13 0.00 0.00 57.88 57.96 2tbd h LEU 103 Cb 0.57 0.07 -0.02 0.00 -0.53 0.00 0.00 40.66 40.75 2tbd h LEU 103 CO -0.61 0.11 -0.08 -0.03 -0.13 0.00 0.00 178.44 177.69 2tbd h MET 104 N -0.68 -0.03 -0.09 1.25 4.05 -0.96 0.48 114.93 118.96 2tbd h MET 104 Ca -0.03 0.00 0.02 0.00 -0.28 0.00 0.00 59.70 59.41 2tbd h MET 104 Cb 0.48 0.01 -0.00 0.00 -0.80 0.00 0.00 31.60 31.28 2tbd h MET 104 CO 0.05 -0.02 0.11 -0.92 0.23 0.00 0.00 176.91 176.36 2tbd h TYR 105 N -0.03 0.00 -0.29 1.39 5.03 -1.28 -1.79 116.97 120.00 2tbd h TYR 105 Ca 0.02 0.00 -0.02 0.00 2.58 0.00 0.00 58.73 61.31 2tbd h TYR 105 Cb 0.07 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 38.34 2tbd h TYR 105 CO -0.80 0.00 0.10 1.03 -1.32 0.00 0.00 178.16 177.16 2tbd h SER 106 N 0.00 0.41 0.23 -2.11 0.87 0.88 -1.68 113.55 112.15 2tbd h SER 106 Ca 0.04 -0.20 -0.16 0.00 -1.23 0.00 0.00 61.79 60.24 2tbd h SER 106 Cb 0.25 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 62.10 2tbd h SER 106 CO -0.00 0.50 -0.62 0.00 -0.53 0.00 0.00 176.83 176.18 2tbd h ALA 107 N 0.93 0.73 -0.30 6.23 0.00 -0.37 -2.37 119.26 124.11 2tbd h ALA 107 Ca 0.09 -0.55 -0.03 0.00 0.00 0.00 0.00 54.91 54.43 2tbd h ALA 107 Cb 0.23 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 2tbd h ALA 107 CO -0.00 0.72 0.07 -0.07 0.00 0.00 0.00 179.25 179.97 2tbd h LEU 108 N 0.28 0.40 -0.05 0.00 3.38 -1.18 -1.94 115.31 116.20 2tbd h LEU 108 Ca -0.01 -0.05 -0.20 0.00 0.09 0.00 0.00 57.88 57.71 2tbd h LEU 108 Cb 1.16 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.78 2tbd h LEU 108 CO 0.11 0.41 -0.96 0.71 0.09 0.00 0.00 178.44 178.80 2tbd h THR 109 N 0.43 1.66 -3.35 0.22 1.35 -1.13 -3.32 112.91 108.78 2tbd h THR 109 Ca 0.10 -3.30 -0.58 0.00 -0.55 0.00 0.00 66.41 62.09 2tbd h THR 109 Cb 0.17 2.79 -0.07 0.00 -1.73 0.00 0.00 68.15 69.31 2tbd h THR 109 CO -0.00 0.94 0.25 -0.60 -0.25 0.00 0.00 175.52 175.86 2tbd s ARG 110 N -2.77 4.32 0.99 4.72 3.52 -0.73 -4.82 118.95 124.17 2tbd s ARG 110 Ca 0.01 0.90 -0.17 0.00 -0.13 0.00 0.00 55.73 56.34 2tbd s ARG 110 Cb 0.10 -3.54 -0.09 0.00 -1.56 0.00 0.00 34.95 29.86 2tbd s ARG 110 CO 0.81 -0.20 -0.49 -0.40 -0.81 0.00 0.00 175.30 174.21 2tbd n ASP 111 N 4.79 -4.37 -0.72 -2.12 5.68 -1.26 -2.45 116.55 116.10 2tbd n ASP 111 Ca 0.02 0.19 -0.00 0.00 -0.50 0.00 0.00 54.79 54.49 2tbd n ASP 111 Cb 0.50 -0.87 0.02 0.00 -1.14 0.00 0.00 41.12 39.62 2tbd n ASP 111 CO 0.00 0.00 0.00 -0.81 -1.33 0.00 0.00 177.20 175.06 2tbd n PRO 112 N 1.02 1.19 -3.08 0.11 -0.04 -1.26 -5.03 135.00 127.91 2tbd n PRO 112 Ca 0.01 -0.19 -0.40 0.00 -0.04 0.00 0.00 63.50 62.88 2tbd n PRO 112 Cb 0.58 -1.41 -0.05 0.00 -0.04 0.00 0.00 33.50 32.57 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 -0.85 3.40 0.62 0.54 0.40 -1.02 -4.96 117.98 116.10 2tbd s PHE 113 Ca 0.03 1.01 -0.02 0.00 -0.60 0.00 0.00 56.93 57.35 2tbd s PHE 113 Cb 0.03 -2.83 0.05 0.00 0.51 0.00 0.00 43.02 40.78 2tbd s PHE 113 CO 0.01 -0.16 0.88 -1.12 0.70 0.00 0.00 175.22 175.53 2tbd s SER 114 N 1.15 5.03 -0.07 1.36 0.01 -0.90 -4.34 113.70 115.94 2tbd s SER 114 Ca 0.31 0.13 0.05 0.00 1.31 0.00 0.00 55.95 57.74 2tbd s SER 114 Cb -0.16 -0.89 -0.00 0.00 0.21 0.00 0.00 66.02 65.18 2tbd s SER 114 CO 0.11 -1.37 -0.22 -0.69 0.41 0.00 0.00 173.24 171.49 2tbd s VAL 115 N -2.97 1.82 0.00 3.43 1.01 -1.26 -2.29 120.40 120.14 2tbd s VAL 115 Ca 0.59 -0.91 0.00 0.00 0.00 0.00 0.00 61.98 61.66 2tbd s VAL 115 Cb -0.10 -1.56 0.00 0.00 0.00 0.00 0.00 36.38 34.72 2tbd s VAL 115 CO 0.41 0.51 0.00 -0.38 0.00 0.00 0.00 175.10 175.64 2tbd n ILE 116 N 3.26 0.00 -3.51 2.22 5.41 -0.59 -4.85 119.36 121.30 2tbd n ILE 116 Ca -0.19 0.45 -0.17 0.00 1.00 0.00 0.00 62.75 63.85 2tbd n ILE 116 Cb 0.52 -1.41 -0.05 0.00 -0.71 0.00 0.00 39.64 37.99 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 1.09 0.22 0.38 -6.30 -1.01 -5.01 118.70 107.17 2tbd s GLU 117 Ca 0.00 0.10 0.04 0.00 -2.50 0.00 0.00 54.97 52.61 2tbd s GLU 117 Cb 0.00 0.51 -0.01 0.00 0.00 0.00 0.00 34.13 34.63 2tbd s GLU 117 CO 0.00 -0.37 0.14 -0.85 0.02 0.00 0.00 175.26 174.20 2tbd n GLU 118 N 0.66 0.43 -0.00 4.30 0.28 -1.26 -1.35 120.64 123.70 2tbd n GLU 118 Ca -0.19 -2.10 0.04 0.00 -0.16 0.00 0.00 57.16 54.75 2tbd n GLU 118 Cb 0.59 1.50 -0.06 0.00 1.43 0.00 0.00 31.44 34.90 2tbd n GLU 118 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 177.13 175.84 2tbd n SER 119 N -2.01 1.58 -4.95 -1.84 3.41 -1.17 -5.01 113.62 103.64 2tbd n SER 119 Ca 0.02 -0.38 -0.24 0.00 -0.26 0.00 0.00 58.87 58.01 2tbd n SER 119 Cb 0.38 1.19 0.00 0.00 -0.26 0.00 0.00 64.21 65.52 2tbd n SER 119 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2tbd s LEU 120 N -2.97 3.76 -0.09 1.04 2.01 -1.26 -5.04 118.68 116.13 2tbd s LEU 120 Ca 0.00 0.39 -0.06 0.00 0.01 0.00 0.00 54.13 54.47 2tbd s LEU 120 Cb 0.06 -3.27 -0.05 0.00 0.01 0.00 0.00 46.19 42.95 2tbd s LEU 120 CO 0.36 -0.57 0.23 1.55 1.01 0.00 0.00 176.35 178.94 2tbd h PRO 121 N 0.49 -0.11 -0.90 1.29 0.13 -2.02 -3.35 132.00 127.53 2tbd h PRO 121 Ca -0.47 0.01 -0.48 0.00 -0.87 0.00 0.00 66.00 64.19 2tbd h PRO 121 Cb 1.24 0.03 -0.28 0.00 0.13 0.00 0.00 31.00 32.11 2tbd h PRO 121 CO 0.59 0.03 0.55 0.41 -0.23 0.00 0.00 178.00 179.35 2tbd n GLY 122 N 1.44 4.64 7.00 1.56 0.00 -1.26 -5.04 105.19 113.53 2tbd n GLY 122 Ca -0.03 -1.18 0.00 0.00 0.00 0.00 0.00 46.02 44.81 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 -1.13 2.80 3.88 -0.02 0.00 -1.26 -4.75 105.19 104.70 2tbd n GLY 123 Ca 0.56 -0.32 -0.25 0.00 0.00 0.00 0.00 46.02 46.01 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 2.93 0.00 0.99 1.43 -1.26 -4.81 118.68 117.96 2tbd s LEU 124 Ca 0.00 -1.10 0.00 0.00 -1.03 0.00 0.00 54.13 52.00 2tbd s LEU 124 Cb 0.00 -1.44 0.00 0.00 0.03 0.00 0.00 46.19 44.78 2tbd s LEU 124 CO 0.00 -0.92 0.00 1.17 0.23 0.00 0.00 176.35 176.83 2tbd n LYS 125 N -1.65 -2.23 0.11 1.70 3.00 -1.26 -4.95 118.16 112.88 2tbd n LYS 125 Ca -0.00 0.00 0.09 0.00 -0.00 0.00 0.00 58.31 58.40 2tbd n LYS 125 Cb 0.64 0.00 0.44 0.00 0.00 0.00 0.00 35.03 36.11 2tbd n LYS 125 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 2tbd n GLU 126 N -0.12 0.12 -0.05 1.64 0.00 -1.26 -1.28 120.64 119.70 2tbd n GLU 126 Ca 0.00 0.51 0.03 0.00 0.00 0.00 0.00 57.16 57.70 2tbd n GLU 126 Cb 0.00 -1.82 0.11 0.00 0.00 0.00 0.00 31.44 29.74 2tbd n GLU 126 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.13 174.74 2tbd n HIS 127 N -2.06 0.14 0.00 4.31 1.44 -1.26 -3.94 115.22 113.84 2tbd n HIS 127 Ca 0.00 -0.07 0.00 0.00 -2.01 0.00 0.00 57.72 55.65 2tbd n HIS 127 Cb 0.10 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.21 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 -0.21 0.65 -4.21 4.39 2.03 -0.40 -5.10 116.55 113.69 2tbd n ASP 128 Ca 0.05 0.00 -0.30 0.00 0.52 0.00 0.00 54.79 55.07 2tbd n ASP 128 Cb 0.10 0.03 0.18 0.00 -0.72 0.00 0.00 41.12 40.71 2tbd n ASP 128 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 2tbd s PHE 129 N -1.15 1.71 -0.02 -0.67 0.08 -0.92 -5.02 117.98 112.00 2tbd s PHE 129 Ca 0.00 0.38 0.02 0.00 0.12 0.00 0.00 56.93 57.45 2tbd s PHE 129 Cb 0.00 -4.01 -0.03 0.00 -0.57 0.00 0.00 43.02 38.40 2tbd s PHE 129 CO 0.00 -2.60 -0.05 -0.80 -0.10 0.00 0.00 175.22 171.66 2tbd s ASN 130 N -4.80 4.75 0.75 1.36 0.01 -1.26 -4.92 114.94 110.83 2tbd s ASN 130 Ca 0.72 -0.08 0.00 0.00 -0.71 0.00 0.00 52.86 52.80 2tbd s ASN 130 Cb -0.05 -1.16 0.00 0.00 0.41 0.00 0.00 41.25 40.45 2tbd s ASN 130 CO 0.53 0.31 0.00 -0.81 -1.51 0.00 0.00 177.10 175.61 2tbd n PRO 131 N 1.71 0.21 -3.27 -0.60 -0.04 -1.26 -5.10 135.00 126.64 2tbd n PRO 131 Ca -0.16 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.26 2tbd n PRO 131 Cb 0.53 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.94 2tbd n PRO 131 CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 2tbd s GLU 132 N -2.25 0.44 -0.72 0.54 4.04 -1.26 -5.06 118.70 114.43 2tbd s GLU 132 Ca 0.00 0.64 0.04 0.00 0.04 0.00 0.00 54.97 55.69 2tbd s GLU 132 Cb 0.00 -0.09 0.29 0.00 0.02 0.00 0.00 34.13 34.35 2tbd s GLU 132 CO 0.00 -0.70 1.00 0.43 -1.84 0.00 0.00 175.26 174.15 2tbd n SER 133 N 5.39 4.66 0.00 0.83 7.64 -1.26 -5.38 113.62 125.49 2tbd n SER 133 Ca -0.02 -3.54 0.00 0.00 1.01 0.00 0.00 58.87 56.33 2tbd n SER 133 Cb 0.51 -0.76 0.00 0.00 -1.01 0.00 0.00 64.21 62.94 2tbd n SER 133 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79