#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 -1.24 -3.34 1.61 2.88 -1.26 -5.05 113.62 107.22 2tbd n SER 2 Ca 0.00 -0.41 -0.14 0.00 -1.33 0.00 0.00 58.87 56.99 2tbd n SER 2 Cb 0.00 -0.02 -0.07 0.00 -0.75 0.00 0.00 64.21 63.37 2tbd n SER 2 CO 0.00 0.00 0.00 -1.59 -1.23 0.00 0.00 175.04 172.22 2tbd s LYS 3 N -3.05 0.56 0.12 -1.46 -2.85 -1.26 -5.12 119.74 106.68 2tbd s LYS 3 Ca 0.02 -0.51 -0.34 0.00 -1.00 0.00 0.00 55.97 54.14 2tbd s LYS 3 Cb -0.00 -0.57 -0.18 0.00 -2.06 0.00 0.00 37.83 35.02 2tbd s LYS 3 CO 0.01 -1.14 0.91 1.55 0.10 0.00 0.00 175.35 176.78 2tbd n VAL 4 N 4.65 0.95 -3.34 1.79 3.14 -1.26 -4.90 118.33 119.36 2tbd n VAL 4 Ca 0.07 -0.24 -0.38 0.00 -2.96 0.00 0.00 64.34 60.83 2tbd n VAL 4 Cb 0.47 -0.24 -0.06 0.00 -1.06 0.00 0.00 33.84 32.95 2tbd n VAL 4 CO 0.00 0.00 0.00 -1.61 -6.46 0.00 0.00 176.83 168.76 2tbd s GLU 5 N -0.46 4.17 0.35 1.45 8.01 -1.26 -5.03 118.70 125.92 2tbd s GLU 5 Ca 0.77 0.57 -0.28 0.00 0.01 0.00 0.00 54.97 56.03 2tbd s GLU 5 Cb -1.03 -3.30 -0.10 0.00 -4.31 0.00 0.00 34.13 25.38 2tbd s GLU 5 CO 0.55 0.49 1.36 0.16 0.01 0.00 0.00 175.26 177.83 2tbd s ASP 6 N -0.50 6.62 -0.03 -0.19 1.47 -1.26 -4.96 116.67 117.82 2tbd s ASP 6 Ca 0.27 2.80 -0.30 0.00 1.18 0.00 0.00 52.55 56.50 2tbd s ASP 6 Cb -0.17 -2.65 -0.03 0.00 -0.34 0.00 0.00 42.92 39.73 2tbd s ASP 6 CO 0.15 -0.65 1.03 -2.16 0.68 0.00 0.00 175.17 174.21 2tbd s PRO 7 N -1.91 4.49 0.00 2.11 0.04 -1.26 -4.92 135.00 133.55 2tbd s PRO 7 Ca 0.50 1.47 0.30 0.00 0.04 0.00 0.00 61.00 63.32 2tbd s PRO 7 Cb -0.42 -3.48 1.57 0.00 0.04 0.00 0.00 34.50 32.21 2tbd s PRO 7 CO 0.56 -0.19 2.04 1.63 0.04 0.00 0.00 177.00 181.08 2tbd n LYS 8 N 4.35 1.15 -3.33 4.56 5.02 -1.26 -4.95 118.16 123.69 2tbd n LYS 8 Ca 0.08 -0.31 0.00 0.00 -2.02 0.00 0.00 58.31 56.05 2tbd n LYS 8 Cb 0.49 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 34.01 2tbd n LYS 8 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 2tbd n ASP 9 N -0.65 0.00 -4.38 4.39 5.68 -1.26 -5.10 116.55 115.23 2tbd n ASP 9 Ca 0.21 0.00 -0.32 0.00 -0.50 0.00 0.00 54.79 54.18 2tbd n ASP 9 Cb 0.21 0.00 0.16 0.00 -1.14 0.00 0.00 41.12 40.34 2tbd n ASP 9 CO 0.00 0.00 0.00 0.49 -1.33 0.00 0.00 177.20 176.36 2tbd n PHE 10 N 1.42 -1.30 -2.59 2.11 3.01 -1.26 -4.91 117.46 113.94 2tbd n PHE 10 Ca 0.00 0.17 -0.41 0.00 1.01 0.00 0.00 57.45 58.22 2tbd n PHE 10 Cb 0.00 -1.70 -0.04 0.00 -0.01 0.00 0.00 39.48 37.73 2tbd n PHE 10 CO 0.00 0.00 0.00 -1.25 1.01 0.00 0.00 176.76 176.52 2tbd s PRO 11 N -3.67 4.63 0.59 -1.08 0.04 -1.26 -4.90 135.00 129.34 2tbd s PRO 11 Ca 0.58 1.63 0.30 0.00 0.04 0.00 0.00 61.00 63.55 2tbd s PRO 11 Cb -0.18 -3.31 1.36 0.00 0.04 0.00 0.00 34.50 32.42 2tbd s PRO 11 CO 0.66 0.13 1.74 0.66 0.04 0.00 0.00 177.00 180.23 2tbd h SER 12 N 5.24 0.00 -0.34 6.66 4.64 -1.96 0.15 113.55 127.94 2tbd h SER 12 Ca -0.44 0.00 0.02 0.00 -0.47 0.00 0.00 61.79 60.90 2tbd h SER 12 Cb 1.21 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.28 2tbd h SER 12 CO 0.72 0.00 0.18 -0.08 -0.87 0.00 0.00 176.83 176.78 2tbd h GLU 13 N 0.00 0.36 -0.26 4.77 4.81 -2.02 -1.28 114.58 120.96 2tbd h GLU 13 Ca 0.33 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.54 2tbd h GLU 13 Cb 1.76 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 31.06 2tbd h GLU 13 CO -0.00 0.24 0.00 1.28 -0.73 0.00 0.00 179.01 179.79 2tbd n LEU 14 N -4.93 1.86 -0.96 1.64 4.77 0.46 -3.85 117.00 115.99 2tbd n LEU 14 Ca -0.00 -0.85 0.04 0.00 -0.03 0.00 0.00 56.01 55.17 2tbd n LEU 14 Cb 0.07 -0.17 0.17 0.00 -2.33 0.00 0.00 43.42 41.16 2tbd n LEU 14 CO 0.31 0.42 0.56 0.18 -1.33 0.00 0.00 177.39 177.53 2tbd n LEU 15 N 0.47 2.69 0.05 2.23 4.77 -0.48 -3.73 117.00 123.01 2tbd n LEU 15 Ca 0.15 -1.36 0.12 0.00 -0.03 0.00 0.00 56.01 54.88 2tbd n LEU 15 Cb 0.33 -0.47 0.10 0.00 -2.33 0.00 0.00 43.42 41.05 2tbd n LEU 15 CO 0.11 0.42 0.18 -1.20 -1.33 0.00 0.00 177.39 175.58 2tbd n SER 16 N 0.33 0.67 -2.94 -1.43 7.64 -1.25 -4.56 113.62 112.09 2tbd n SER 16 Ca 0.12 0.02 -0.15 0.00 1.01 0.00 0.00 58.87 59.87 2tbd n SER 16 Cb 0.55 0.43 0.00 0.00 -1.01 0.00 0.00 64.21 64.19 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 -2.11 -2.00 -4.01 1.43 1.16 -1.24 -5.13 117.46 105.55 2tbd n PHE 17 Ca 0.02 -2.58 -0.00 0.00 -1.87 0.00 0.00 57.45 53.02 2tbd n PHE 17 Cb 0.45 0.73 -0.00 0.00 -1.61 0.00 0.00 39.48 39.05 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 1.42 0.00 -0.09 5.98 0.00 -1.26 -4.47 117.00 118.59 2tbd n LEU 18 Ca 0.14 -0.05 -0.07 0.00 0.00 0.00 0.00 56.01 56.03 2tbd n LEU 18 Cb 0.60 0.01 -0.16 0.00 0.00 0.00 0.00 43.42 43.87 2tbd n LEU 18 CO 0.10 -0.01 -1.10 -0.24 0.00 0.00 0.00 177.39 176.14 2tbd n SER 19 N -1.58 0.02 -3.97 1.96 2.88 -1.20 -4.41 113.62 107.32 2tbd n SER 19 Ca -0.00 0.00 -0.27 0.00 -1.33 0.00 0.00 58.87 57.27 2tbd n SER 19 Cb 0.01 1.13 -0.02 0.00 -0.75 0.00 0.00 64.21 64.58 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 -2.68 -1.62 -3.11 0.66 -0.00 -1.26 -4.92 115.22 102.28 2tbd n HIS 20 Ca -0.29 0.69 0.03 0.00 -0.00 0.00 0.00 57.72 58.15 2tbd n HIS 20 Cb 1.08 -3.60 -0.00 0.00 -0.00 0.00 0.00 29.99 27.46 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 -3.95 -3.08 -0.18 -1.41 0.00 -1.26 -5.04 121.76 106.84 2tbd s ALA 21 Ca 0.05 0.96 -0.22 0.00 0.00 0.00 0.00 51.96 52.75 2tbd s ALA 21 Cb -0.02 -2.73 -0.22 0.00 0.00 0.00 0.00 23.12 20.15 2tbd s ALA 21 CO 0.90 -2.08 0.38 0.28 0.00 0.00 0.00 175.76 175.24 2tbd h VAL 22 N 5.04 1.12 -1.00 0.00 2.07 -1.95 -3.37 116.25 118.16 2tbd h VAL 22 Ca -0.02 -2.24 -0.49 0.00 0.82 0.00 0.00 66.70 64.77 2tbd h VAL 22 Cb 1.19 2.54 -0.17 0.00 -1.52 0.00 0.00 31.29 33.34 2tbd h VAL 22 CO 0.05 0.44 0.41 0.49 0.02 0.00 0.00 177.57 178.97 2tbd n PHE 23 N -4.39 1.53 -1.82 1.57 3.01 -1.26 -3.27 117.46 112.82 2tbd n PHE 23 Ca -0.26 -1.94 -0.12 0.00 1.01 0.00 0.00 57.45 56.14 2tbd n PHE 23 Cb 0.67 -1.41 0.07 0.00 -0.01 0.00 0.00 39.48 38.80 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 1.01 0.27 -0.02 4.37 2.88 -1.26 -5.03 113.62 115.84 2tbd n SER 24 Ca 0.49 -1.33 0.00 0.00 -1.33 0.00 0.00 58.87 56.70 2tbd n SER 24 Cb 0.56 -0.37 -0.05 0.00 -0.75 0.00 0.00 64.21 63.60 2tbd n SER 24 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 2tbd n ASN 25 N -3.20 3.50 -3.09 -3.46 3.02 -1.26 -5.01 115.26 105.77 2tbd n ASN 25 Ca 0.07 0.00 -0.16 0.00 -0.03 0.00 0.00 54.58 54.46 2tbd n ASN 25 Cb 0.25 0.98 0.14 0.00 -0.61 0.00 0.00 39.78 40.55 2tbd n ASN 25 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2tbd n ARG 26 N -1.97 -2.43 -5.14 3.52 5.12 -1.26 -5.04 116.66 109.47 2tbd n ARG 26 Ca -0.05 -0.93 -0.32 0.00 -1.93 0.00 0.00 57.85 54.62 2tbd n ARG 26 Cb 0.43 -0.92 -0.17 0.00 -1.16 0.00 0.00 32.46 30.64 2tbd n ARG 26 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 2tbd s THR 27 N -2.00 2.04 -0.19 0.55 -4.23 -1.26 -4.67 115.64 105.88 2tbd s THR 27 Ca 0.38 -1.00 0.01 0.00 -1.18 0.00 0.00 61.69 59.90 2tbd s THR 27 Cb -0.04 -1.77 0.03 0.00 1.34 0.00 0.00 72.50 72.06 2tbd s THR 27 CO 0.30 0.55 -0.15 -0.22 -0.54 0.00 0.00 174.62 174.56 2tbd s LEU 28 N 0.41 2.27 0.00 4.79 2.96 -1.12 -4.87 118.68 123.12 2tbd s LEU 28 Ca -0.17 -0.78 0.27 0.00 -0.22 0.00 0.00 54.13 53.22 2tbd s LEU 28 Cb -0.18 -1.37 0.81 0.00 0.50 0.00 0.00 46.19 45.95 2tbd s LEU 28 CO 0.07 -0.07 1.61 0.00 -1.32 0.00 0.00 176.35 176.64 2tbd n ALA 29 N 4.64 3.11 -2.66 5.97 0.00 -1.26 -4.10 120.51 126.20 2tbd n ALA 29 Ca -0.18 -0.32 -0.37 0.00 0.00 0.00 0.00 53.44 52.57 2tbd n ALA 29 Cb 0.48 -1.20 -0.09 0.00 0.00 0.00 0.00 19.45 18.64 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 1.16 1.67 -0.15 0.00 0.40 -0.96 -2.60 117.98 117.49 2tbd s PHE 31 Ca 0.12 -0.39 -0.00 0.00 -0.60 0.00 0.00 56.93 56.06 2tbd s PHE 31 Cb -0.14 -0.96 0.04 0.00 0.51 0.00 0.00 43.02 42.46 2tbd s PHE 31 CO 0.06 0.11 -0.07 0.00 0.70 0.00 0.00 175.22 176.02 2tbd s ALA 32 N -0.94 1.50 -0.01 5.36 0.00 -0.62 -2.42 121.76 124.63 2tbd s ALA 32 Ca 0.06 -0.79 -0.11 0.00 0.00 0.00 0.00 51.96 51.12 2tbd s ALA 32 Cb -0.09 -1.08 -0.05 0.00 0.00 0.00 0.00 23.12 21.90 2tbd s ALA 32 CO 0.02 -0.67 0.32 0.42 0.00 0.00 0.00 175.76 175.86 2tbd s ILE 33 N 1.63 5.20 -0.25 0.00 -1.09 -0.27 -1.67 121.20 124.74 2tbd s ILE 33 Ca 0.02 0.50 -0.03 0.00 -2.23 0.00 0.00 60.65 58.91 2tbd s ILE 33 Cb -0.14 -3.60 0.08 0.00 -1.58 0.00 0.00 42.46 37.21 2tbd s ILE 33 CO -0.08 0.50 0.08 -0.47 -1.23 0.00 0.00 174.94 173.74 2tbd s TYR 34 N -1.17 0.93 0.21 3.97 5.04 -0.69 -1.01 117.35 124.62 2tbd s TYR 34 Ca 0.24 -1.03 -0.23 0.00 -2.44 0.00 0.00 57.07 53.61 2tbd s TYR 34 Cb -0.14 -1.14 0.05 0.00 0.35 0.00 0.00 41.96 41.08 2tbd s TYR 34 CO 0.13 -0.73 0.89 -0.08 -1.34 0.00 0.00 175.55 174.42 2tbd s THR 35 N 1.89 0.00 0.50 4.34 -1.32 -0.82 -1.59 115.64 118.64 2tbd s THR 35 Ca 0.05 -0.77 -0.18 0.00 -1.21 0.00 0.00 61.69 59.57 2tbd s THR 35 Cb -0.17 -2.17 -0.13 0.00 -1.51 0.00 0.00 72.50 68.52 2tbd s THR 35 CO -0.20 0.00 0.09 0.35 -2.21 0.00 0.00 174.62 172.65 2tbd n THR 36 N -0.50 0.69 0.32 5.08 -2.24 -1.26 -1.93 114.28 114.44 2tbd n THR 36 Ca -0.05 -0.50 -0.18 0.00 -2.27 0.00 0.00 64.05 61.05 2tbd n THR 36 Cb 0.60 -0.19 -0.09 0.00 -2.10 0.00 0.00 70.33 68.55 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 0.12 -0.96 -1.29 -0.78 2.10 -1.90 -0.48 116.57 113.38 2tbd h LYS 37 Ca -0.42 0.07 0.37 0.00 -2.00 0.00 0.00 60.65 58.67 2tbd h LYS 37 Cb 1.44 0.22 -0.05 0.00 -0.90 0.00 0.00 32.23 32.93 2tbd h LYS 37 CO 0.44 -0.64 1.10 0.93 -2.00 0.00 0.00 179.45 179.28 2tbd h GLU 38 N -1.00 0.00 -0.02 0.07 5.08 -2.00 0.55 114.58 117.26 2tbd h GLU 38 Ca -0.07 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.28 2tbd h GLU 38 Cb 0.85 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.10 2tbd h GLU 38 CO -0.01 0.00 -0.05 -0.22 -1.00 0.00 0.00 179.01 177.73 2tbd h LYS 39 N 0.00 0.07 -0.90 2.33 3.64 -1.40 -3.12 116.57 117.19 2tbd h LYS 39 Ca 0.61 -0.05 0.01 0.00 -1.27 0.00 0.00 60.65 59.95 2tbd h LYS 39 Cb 2.80 0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 34.58 2tbd h LYS 39 CO -0.01 0.68 0.59 0.00 -2.27 0.00 0.00 179.45 178.44 2tbd h ALA 40 N 0.38 1.33 -0.93 5.00 0.00 0.44 -1.77 119.26 123.71 2tbd h ALA 40 Ca -0.00 -0.07 0.10 0.00 0.00 0.00 0.00 54.91 54.93 2tbd h ALA 40 Cb 0.69 -0.37 -0.07 0.00 0.00 0.00 0.00 17.79 18.04 2tbd h ALA 40 CO 0.01 0.61 0.60 0.00 0.00 0.00 0.00 179.25 180.47 2tbd h ALA 41 N 1.42 1.59 0.38 0.00 0.00 -1.32 -0.15 119.26 121.17 2tbd h ALA 41 Ca 0.33 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.22 2tbd h ALA 41 Cb -0.12 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.45 2tbd h ALA 41 CO -0.07 0.22 -0.18 -0.07 0.00 0.00 0.00 179.25 179.15 2tbd h LEU 42 N 0.94 -0.43 -1.69 0.00 4.07 -1.28 -3.10 115.31 113.82 2tbd h LEU 42 Ca 0.43 0.01 0.11 0.00 0.08 0.00 0.00 57.88 58.52 2tbd h LEU 42 Cb 0.40 0.11 -0.02 0.00 1.08 0.00 0.00 40.66 42.24 2tbd h LEU 42 CO -0.19 0.01 0.59 -0.07 -1.08 0.00 0.00 178.44 177.69 2tbd h LEU 43 N -1.14 0.00 0.02 1.67 3.38 -1.23 -1.06 115.31 116.96 2tbd h LEU 43 Ca -0.05 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 2tbd h LEU 43 Cb 0.39 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.14 2tbd h LEU 43 CO 0.09 0.00 -0.01 0.22 0.09 0.00 0.00 178.44 178.82 2tbd h TYR 44 N 0.00 -0.03 0.00 1.13 3.20 -0.94 0.04 116.97 120.36 2tbd h TYR 44 Ca 0.18 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.05 2tbd h TYR 44 Cb 1.35 0.01 0.00 0.00 1.54 0.00 0.00 36.73 39.63 2tbd h TYR 44 CO 0.00 -0.02 0.00 1.63 -1.64 0.00 0.00 178.16 178.13 2tbd n LYS 45 N -2.11 0.06 0.00 1.82 4.76 -0.86 -1.57 118.16 120.26 2tbd n LYS 45 Ca -0.00 0.40 0.00 0.00 -2.87 0.00 0.00 58.31 55.83 2tbd n LYS 45 Cb 0.01 -1.64 0.00 0.00 -1.84 0.00 0.00 35.03 31.56 2tbd n LYS 45 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2tbd n LYS 46 N -1.76 0.00 0.09 1.97 4.76 -0.46 -4.06 118.16 118.70 2tbd n LYS 46 Ca 0.02 0.13 0.06 0.00 -2.87 0.00 0.00 58.31 55.65 2tbd n LYS 46 Cb 0.13 -0.59 0.32 0.00 -1.84 0.00 0.00 35.03 33.04 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 -1.03 1.47 0.36 -0.18 5.41 -0.04 -1.54 119.36 123.81 2tbd n ILE 47 Ca 0.00 0.62 0.04 0.00 1.00 0.00 0.00 62.75 64.41 2tbd n ILE 47 Cb 0.00 -1.62 0.20 0.00 -0.71 0.00 0.00 39.64 37.51 2tbd n ILE 47 CO 0.00 0.00 0.00 0.80 0.00 0.00 0.00 176.55 177.35 2tbd n MET 48 N -1.91 0.08 0.00 0.38 1.56 -0.61 -2.14 117.12 114.48 2tbd n MET 48 Ca -0.01 0.25 0.00 0.00 -0.27 0.00 0.00 57.70 57.68 2tbd n MET 48 Cb 0.02 -1.50 0.00 0.00 2.15 0.00 0.00 33.22 33.89 2tbd n MET 48 CO 0.00 0.00 0.00 0.39 -0.73 0.00 0.00 175.97 175.63 2tbd n GLU 49 N -1.35 2.14 0.08 2.12 1.02 -0.59 -4.04 120.64 120.01 2tbd n GLU 49 Ca 0.03 0.00 0.03 0.00 -0.02 0.00 0.00 57.16 57.20 2tbd n GLU 49 Cb 0.08 -0.82 -0.03 0.00 -0.02 0.00 0.00 31.44 30.64 2tbd n GLU 49 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 2tbd h LYS 50 N 0.00 0.00 0.00 3.49 3.64 -1.50 -3.38 116.57 118.82 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 0.02 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.84 2tbd h LYS 50 CO 0.00 0.31 0.00 0.66 -2.27 0.00 0.00 179.45 178.15 2tbd n TYR 51 N -2.98 0.00 -4.08 1.91 4.02 -0.91 -5.00 117.16 110.12 2tbd n TYR 51 Ca -0.04 -0.01 -0.29 0.00 -0.01 0.00 0.00 57.90 57.55 2tbd n TYR 51 Cb 0.76 -0.00 -0.04 0.00 -0.02 0.00 0.00 39.34 40.04 2tbd n TYR 51 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 2tbd n SER 52 N -0.01 -0.79 -1.95 7.72 7.64 -1.19 -4.07 113.62 120.97 2tbd n SER 52 Ca 0.00 -1.05 -0.27 0.00 1.01 0.00 0.00 58.87 58.56 2tbd n SER 52 Cb 0.16 -2.73 -0.04 0.00 -1.01 0.00 0.00 64.21 60.59 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 0.00 0.29 0.44 0.24 -1.25 -4.73 118.33 108.90 2tbd n VAL 53 Ca -0.22 0.00 0.17 0.00 -2.04 0.00 0.00 64.34 62.24 2tbd n VAL 53 Cb 0.64 -0.12 0.91 0.00 -1.47 0.00 0.00 33.84 33.80 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 1.75 0.35 -1.22 3.34 2.02 -1.80 -3.42 112.91 113.93 2tbd h THR 54 Ca -0.20 -0.25 0.15 0.00 0.77 0.00 0.00 66.41 66.89 2tbd h THR 54 Cb 0.58 1.18 -0.24 0.00 -1.74 0.00 0.00 68.15 67.93 2tbd h THR 54 CO 0.35 0.04 0.24 0.12 0.37 0.00 0.00 175.52 176.64 2tbd s PHE 55 N -4.25 -0.70 -0.10 3.16 5.36 -1.26 -4.96 117.98 115.23 2tbd s PHE 55 Ca -0.04 1.26 -0.00 0.00 -0.96 0.00 0.00 56.93 57.19 2tbd s PHE 55 Cb 0.13 0.42 0.02 0.00 -0.34 0.00 0.00 43.02 43.26 2tbd s PHE 55 CO 0.52 -0.35 -0.06 -1.50 -1.46 0.00 0.00 175.22 172.38 2tbd s ILE 56 N 2.20 0.87 -0.08 3.12 2.07 -1.26 -2.34 121.20 125.77 2tbd s ILE 56 Ca -0.04 -0.20 0.01 0.00 -1.41 0.00 0.00 60.65 59.01 2tbd s ILE 56 Cb -0.06 -0.91 0.02 0.00 0.13 0.00 0.00 42.46 41.64 2tbd s ILE 56 CO -0.17 0.34 -0.09 -0.94 -1.91 0.00 0.00 174.94 172.17 2tbd s SER 57 N 1.70 1.81 -0.07 4.50 1.04 -0.75 -1.85 113.70 120.08 2tbd s SER 57 Ca 0.04 -0.27 -0.24 0.00 0.48 0.00 0.00 55.95 55.96 2tbd s SER 57 Cb -0.13 -0.77 -0.04 0.00 0.10 0.00 0.00 66.02 65.18 2tbd s SER 57 CO -0.07 -0.04 0.71 -0.60 0.98 0.00 0.00 173.24 174.22 2tbd s ARG 58 N 1.11 4.44 0.25 4.02 3.52 0.23 -1.41 118.95 131.11 2tbd s ARG 58 Ca -0.07 0.89 0.02 0.00 -0.13 0.00 0.00 55.73 56.44 2tbd s ARG 58 Cb -0.14 -3.45 -0.01 0.00 -1.56 0.00 0.00 34.95 29.79 2tbd s ARG 58 CO -0.01 0.05 0.06 0.72 -0.81 0.00 0.00 175.30 175.31 2tbd n HIS 59 N 3.81 0.23 -4.69 5.12 8.25 -0.49 -1.43 115.22 126.03 2tbd n HIS 59 Ca -0.01 -1.51 -0.24 0.00 -0.26 0.00 0.00 57.72 55.70 2tbd n HIS 59 Cb 0.51 -0.05 -0.16 0.00 1.12 0.00 0.00 29.99 31.42 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 -2.51 1.82 0.00 0.41 -0.87 -1.01 -2.24 114.94 110.54 2tbd s ASN 60 Ca 0.09 -0.29 0.00 0.00 -1.57 0.00 0.00 52.86 51.09 2tbd s ASN 60 Cb 0.00 -0.39 0.00 0.00 -0.02 0.00 0.00 41.25 40.84 2tbd s ASN 60 CO 0.06 0.15 0.00 -1.54 -2.57 0.00 0.00 177.10 173.20 2tbd n SER 61 N 3.02 0.00 0.04 -1.22 3.41 -0.77 -1.92 113.62 116.18 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 0.54 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.49 2tbd n SER 61 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 2tbd n TYR 62 N 0.00 -0.68 -0.06 7.33 4.02 -1.26 -4.75 117.16 121.75 2tbd n TYR 62 Ca 0.00 0.12 -0.13 0.00 -0.01 0.00 0.00 57.90 57.88 2tbd n TYR 62 Cb 0.00 0.49 -0.14 0.00 -0.02 0.00 0.00 39.34 39.66 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 -2.81 0.97 -0.42 7.72 4.13 -1.26 -5.04 115.26 118.55 2tbd n ASN 63 Ca 0.00 0.15 0.00 0.00 1.68 0.00 0.00 54.58 56.41 2tbd n ASN 63 Cb 0.03 0.11 0.00 0.00 -1.54 0.00 0.00 39.78 38.38 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 -3.05 -0.13 -3.66 3.10 8.25 -1.26 -4.96 115.22 113.50 2tbd n HIS 64 Ca -0.30 0.00 -0.25 0.00 -0.26 0.00 0.00 57.72 56.91 2tbd n HIS 64 Cb 1.08 0.00 0.02 0.00 1.12 0.00 0.00 29.99 32.21 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 0.34 4.72 -0.09 0.41 0.02 -0.81 -1.84 114.94 117.68 2tbd s ASN 65 Ca 0.00 -1.19 -0.03 0.00 -1.02 0.00 0.00 52.86 50.62 2tbd s ASN 65 Cb 0.00 0.52 0.04 0.00 0.02 0.00 0.00 41.25 41.83 2tbd s ASN 65 CO 0.00 -1.25 0.05 -0.63 0.02 0.00 0.00 177.10 175.30 2tbd s ILE 66 N -2.78 0.04 -0.51 0.60 1.09 -0.95 -1.95 121.20 116.74 2tbd s ILE 66 Ca 0.41 0.14 -0.19 0.00 -1.10 0.00 0.00 60.65 59.91 2tbd s ILE 66 Cb -0.03 -0.40 0.07 0.00 -1.06 0.00 0.00 42.46 41.03 2tbd s ILE 66 CO 0.26 0.04 0.61 -0.22 -0.10 0.00 0.00 174.94 175.53 2tbd s LEU 67 N 2.10 5.10 0.38 2.97 2.96 -0.18 -1.39 118.68 130.62 2tbd s LEU 67 Ca 0.04 -1.03 -0.24 0.00 -0.22 0.00 0.00 54.13 52.67 2tbd s LEU 67 Cb -0.13 -2.40 -0.10 0.00 0.50 0.00 0.00 46.19 44.06 2tbd s LEU 67 CO -0.05 -0.90 1.00 0.12 -1.32 0.00 0.00 176.35 175.20 2tbd s PHE 68 N 2.53 3.41 -0.30 5.38 5.36 -0.50 -1.12 117.98 132.74 2tbd s PHE 68 Ca 0.13 1.68 -0.14 0.00 -0.96 0.00 0.00 56.93 57.64 2tbd s PHE 68 Cb -0.20 -3.01 0.17 0.00 -0.34 0.00 0.00 43.02 39.64 2tbd s PHE 68 CO 0.10 -0.25 0.99 -0.59 -1.46 0.00 0.00 175.22 174.01 2tbd s PHE 69 N -1.75 -0.69 0.59 10.12 -0.71 -1.02 -1.80 117.98 122.72 2tbd s PHE 69 Ca 0.56 1.12 -0.01 0.00 -1.04 0.00 0.00 56.93 57.56 2tbd s PHE 69 Cb -0.18 0.39 0.12 0.00 -1.21 0.00 0.00 43.02 42.13 2tbd s PHE 69 CO 0.23 -0.35 0.80 1.28 -1.34 0.00 0.00 175.22 175.85 2tbd n LEU 70 N 5.04 0.00 -3.84 -1.99 4.77 -0.99 -2.28 117.00 117.72 2tbd n LEU 70 Ca -0.09 -1.65 -0.09 0.00 -0.03 0.00 0.00 56.01 54.16 2tbd n LEU 70 Cb 0.53 -0.52 -0.07 0.00 -2.33 0.00 0.00 43.42 41.02 2tbd n LEU 70 CO -0.05 -0.90 -0.06 0.42 -1.33 0.00 0.00 177.39 175.47 2tbd s THR 71 N -2.43 0.13 0.00 -5.08 -4.23 0.04 -3.50 115.64 100.56 2tbd s THR 71 Ca 0.53 -1.12 0.00 0.00 -1.18 0.00 0.00 61.69 59.92 2tbd s THR 71 Cb -0.03 -1.35 0.00 0.00 1.34 0.00 0.00 72.50 72.46 2tbd s THR 71 CO 0.35 -0.59 0.00 -0.81 -0.54 0.00 0.00 174.62 173.03 2tbd n PRO 72 N -0.09 0.00 -0.03 3.99 -0.04 -1.26 -4.80 135.00 132.77 2tbd n PRO 72 Ca -0.15 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.30 2tbd n PRO 72 Cb 0.63 -0.05 0.02 0.00 -0.04 0.00 0.00 33.50 34.06 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 -1.64 -4.27 0.54 1.44 -1.26 -4.96 115.22 105.07 2tbd n HIS 73 Ca 0.00 -0.04 -0.35 0.00 -2.01 0.00 0.00 57.72 55.32 2tbd n HIS 73 Cb 0.00 -0.10 -0.09 0.00 0.12 0.00 0.00 29.99 29.92 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 -2.43 3.06 -0.16 -1.40 0.52 -1.26 -4.71 118.95 112.57 2tbd s ARG 74 Ca 0.04 -0.37 -0.15 0.00 -0.52 0.00 0.00 55.73 54.73 2tbd s ARG 74 Cb -0.01 -2.86 0.04 0.00 0.52 0.00 0.00 34.95 32.65 2tbd s ARG 74 CO 0.03 0.71 0.43 -3.38 0.02 0.00 0.00 175.30 173.11 2tbd s HIS 75 N -0.94 -0.47 0.25 -0.53 -3.43 -1.26 -4.99 115.29 103.93 2tbd s HIS 75 Ca 0.14 1.14 -0.31 0.00 -0.80 0.00 0.00 55.06 55.24 2tbd s HIS 75 Cb -0.11 0.16 -0.11 0.00 -1.43 0.00 0.00 32.58 31.08 2tbd s HIS 75 CO 0.04 -0.23 1.63 1.03 -2.00 0.00 0.00 174.74 175.21 2tbd s ARG 76 N 0.24 4.14 0.05 -0.38 1.81 -1.26 -2.78 118.95 120.77 2tbd s ARG 76 Ca -0.00 2.55 0.11 0.00 -1.72 0.00 0.00 55.73 56.67 2tbd s ARG 76 Cb -0.03 -3.06 0.49 0.00 -0.45 0.00 0.00 34.95 31.90 2tbd s ARG 76 CO 0.00 -0.66 1.35 0.28 -0.68 0.00 0.00 175.30 175.59 2tbd n VAL 77 N 3.05 1.32 0.09 3.52 0.31 -1.26 -0.40 118.33 124.96 2tbd n VAL 77 Ca 0.12 0.37 -0.11 0.00 -0.01 0.00 0.00 64.34 64.71 2tbd n VAL 77 Cb 0.37 -1.24 -0.07 0.00 -0.91 0.00 0.00 33.84 31.98 2tbd n VAL 77 CO 0.00 0.00 0.00 0.77 -1.32 0.00 0.00 176.83 176.28 2tbd h SER 78 N 0.00 0.26 0.49 4.52 4.64 -1.86 -1.00 113.55 120.60 2tbd h SER 78 Ca 0.00 -0.25 -0.02 0.00 -0.47 0.00 0.00 61.79 61.05 2tbd h SER 78 Cb 0.16 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 2tbd h SER 78 CO 0.00 1.12 -0.24 0.00 -0.87 0.00 0.00 176.83 176.85 2tbd h ALA 79 N 0.85 -0.66 0.00 5.18 0.00 -1.03 -2.78 119.26 120.82 2tbd h ALA 79 Ca -0.07 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.63 2tbd h ALA 79 Cb 1.71 0.25 -0.00 0.00 0.00 0.00 0.00 17.79 19.75 2tbd h ALA 79 CO 0.16 -0.73 -0.12 0.82 0.00 0.00 0.00 179.25 179.37 2tbd h ILE 80 N -0.93 0.43 -0.60 0.00 2.04 -1.59 -0.90 117.51 115.96 2tbd h ILE 80 Ca -0.07 -0.63 0.17 0.00 1.00 0.00 0.00 64.86 65.34 2tbd h ILE 80 Cb 0.60 1.44 -0.02 0.00 -0.74 0.00 0.00 36.82 38.10 2tbd h ILE 80 CO 0.11 0.12 0.45 -1.13 0.00 0.00 0.00 178.15 177.69 2tbd h ASN 81 N 0.00 0.00 0.02 1.72 -1.24 -0.89 0.96 115.58 116.14 2tbd h ASN 81 Ca -0.00 0.00 -0.24 0.00 0.71 0.00 0.00 56.30 56.77 2tbd h ASN 81 Cb 0.43 0.00 0.01 0.00 0.73 0.00 0.00 38.32 39.50 2tbd h ASN 81 CO 0.02 0.00 -0.89 -1.13 -1.29 0.00 0.00 177.43 174.14 2tbd h ASN 82 N 0.00 0.83 -0.68 1.15 -1.24 -1.10 -2.04 115.58 112.50 2tbd h ASN 82 Ca 0.29 -0.60 0.09 0.00 0.71 0.00 0.00 56.30 56.79 2tbd h ASN 82 Cb 1.18 -0.25 -0.11 0.00 0.73 0.00 0.00 38.32 39.86 2tbd h ASN 82 CO -0.00 1.39 -0.47 0.22 -1.29 0.00 0.00 177.43 177.29 2tbd h TYR 83 N 0.42 -1.39 0.00 0.67 5.03 0.95 1.02 116.97 123.67 2tbd h TYR 83 Ca -0.08 0.09 -0.08 0.00 2.58 0.00 0.00 58.73 61.24 2tbd h TYR 83 Cb 1.52 0.70 -0.01 0.00 1.55 0.00 0.00 36.73 40.49 2tbd h TYR 83 CO 0.08 -0.42 -0.38 0.00 -1.32 0.00 0.00 178.16 176.12 2tbd h ALA 84 N 0.63 1.19 0.00 1.82 0.00 -1.50 -1.97 119.26 119.42 2tbd h ALA 84 Ca 0.19 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.75 2tbd h ALA 84 Cb 0.55 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.28 2tbd h ALA 84 CO -0.76 0.48 0.00 0.37 0.00 0.00 0.00 179.25 179.34 2tbd h GLN 85 N 0.00 0.00 0.00 0.00 5.75 0.16 -1.30 115.11 119.72 2tbd h GLN 85 Ca -0.00 0.00 -0.02 0.00 -0.15 0.00 0.00 58.65 58.47 2tbd h GLN 85 Cb 0.76 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 29.31 2tbd h GLN 85 CO 0.05 0.00 -0.29 -0.22 -2.65 0.00 0.00 178.83 175.72 2tbd h LYS 86 N 0.00 0.00 -1.92 1.69 3.64 0.42 -3.29 116.57 117.11 2tbd h LYS 86 Ca 0.00 0.00 -0.75 0.00 -1.27 0.00 0.00 60.65 58.63 2tbd h LYS 86 Cb 0.30 0.00 -0.29 0.00 -0.41 0.00 0.00 32.23 31.83 2tbd h LYS 86 CO 0.00 0.09 0.88 1.28 -2.27 0.00 0.00 179.45 179.42 2tbd n LEU 87 N -3.04 7.25 -4.10 5.20 4.32 -0.49 -4.84 117.00 121.29 2tbd n LEU 87 Ca 0.03 -4.86 -0.36 0.00 -0.02 0.00 0.00 56.01 50.79 2tbd n LEU 87 Cb 0.58 -1.00 -0.07 0.00 -1.62 0.00 0.00 43.42 41.30 2tbd n LEU 87 CO 0.36 1.80 0.28 0.00 -1.22 0.00 0.00 177.39 178.62 2tbd n THR 89 N 2.52 0.00 0.00 0.00 -2.24 -1.26 -4.91 114.28 108.39 2tbd n THR 89 Ca 0.19 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.97 2tbd n THR 89 Cb 0.37 0.88 0.00 0.00 -2.10 0.00 0.00 70.33 69.48 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 0.00 -0.02 -3.74 4.78 -1.74 -1.26 -5.14 117.46 110.35 2tbd n PHE 90 Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.89 2tbd n PHE 90 Cb 0.52 0.21 0.00 0.00 1.52 0.00 0.00 39.48 41.73 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 -2.80 0.00 -2.94 5.98 2.88 -1.26 -5.16 113.62 110.32 2tbd n SER 91 Ca 0.00 -0.92 -0.11 0.00 -1.33 0.00 0.00 58.87 56.51 2tbd n SER 91 Cb 0.28 0.00 0.09 0.00 -0.75 0.00 0.00 64.21 63.84 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 0.00 -3.14 -3.53 0.66 -1.74 -1.26 -4.89 117.46 103.56 2tbd n PHE 92 Ca 0.00 -0.34 0.00 0.00 -0.56 0.00 0.00 57.45 56.55 2tbd n PHE 92 Cb 0.00 -0.42 -0.03 0.00 1.52 0.00 0.00 39.48 40.54 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 0.00 -1.16 -0.65 5.98 2.96 -1.26 -4.56 118.68 119.98 2tbd s LEU 93 Ca 0.25 1.39 0.05 0.00 -0.22 0.00 0.00 54.13 55.60 2tbd s LEU 93 Cb -0.03 2.24 0.18 0.00 0.50 0.00 0.00 46.19 49.08 2tbd s LEU 93 CO 0.20 -0.22 0.50 -0.38 -1.32 0.00 0.00 176.35 175.12 2tbd n ILE 94 N 5.42 1.19 -2.68 6.68 5.41 -0.62 -5.03 119.36 129.74 2tbd n ILE 94 Ca -0.10 -4.65 -0.31 0.00 1.00 0.00 0.00 62.75 58.70 2tbd n ILE 94 Cb 0.50 -2.09 -0.03 0.00 -0.71 0.00 0.00 39.64 37.31 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 -1.45 0.23 -4.39 0.00 5.02 -0.67 -4.90 118.16 112.00 2tbd n LYS 96 Ca 0.04 -0.46 -0.20 0.00 -2.02 0.00 0.00 58.31 55.68 2tbd n LYS 96 Cb 0.54 0.57 -0.10 0.00 -0.02 0.00 0.00 35.03 36.02 2tbd n LYS 96 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 2tbd s GLY 97 N -1.45 1.75 0.04 0.72 0.00 -1.26 -1.59 107.32 105.53 2tbd s GLY 97 Ca 0.03 -1.87 0.01 0.00 0.00 0.00 0.00 44.72 42.89 2tbd s GLY 97 CO 0.02 -1.76 -0.05 0.14 0.00 0.00 0.00 173.10 171.45 2tbd s VAL 98 N -3.23 0.31 -0.23 1.40 1.01 -1.07 -3.21 120.40 115.38 2tbd s VAL 98 Ca 0.30 -1.26 -0.14 0.00 0.00 0.00 0.00 61.98 60.88 2tbd s VAL 98 Cb 0.05 -0.77 -0.17 0.00 0.00 0.00 0.00 36.38 35.49 2tbd s VAL 98 CO 0.11 -0.61 -0.05 0.59 0.00 0.00 0.00 175.10 175.13 2tbd n ASN 99 N 1.07 1.94 -4.09 3.32 3.02 -1.26 -4.54 115.26 114.72 2tbd n ASN 99 Ca -0.20 0.31 -0.39 0.00 -0.03 0.00 0.00 54.58 54.27 2tbd n ASN 99 Cb 0.57 -0.84 -0.04 0.00 -0.61 0.00 0.00 39.78 38.86 2tbd n ASN 99 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2tbd n LYS 100 N -4.13 3.13 -0.36 3.52 5.02 -1.26 -4.87 118.16 119.20 2tbd n LYS 100 Ca -0.43 -4.50 0.06 0.00 -2.02 0.00 0.00 58.31 51.42 2tbd n LYS 100 Cb 0.84 -2.45 0.23 0.00 -0.02 0.00 0.00 35.03 33.63 2tbd n LYS 100 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 2tbd h GLU 101 N 5.91 1.01 -0.28 1.97 4.81 -1.90 -2.61 114.58 123.48 2tbd h GLU 101 Ca 0.18 -0.06 0.03 0.00 -0.13 0.00 0.00 59.36 59.37 2tbd h GLU 101 Cb 0.78 -0.23 -0.04 0.00 0.63 0.00 0.00 28.75 29.89 2tbd h GLU 101 CO 0.97 0.67 -0.24 -0.92 -0.73 0.00 0.00 179.01 178.75 2tbd h TYR 102 N 1.04 -0.76 0.96 0.92 5.03 -1.98 -0.11 116.97 122.06 2tbd h TYR 102 Ca 0.48 0.04 -0.05 0.00 2.58 0.00 0.00 58.73 61.79 2tbd h TYR 102 Cb 0.41 0.37 0.01 0.00 1.55 0.00 0.00 36.73 39.07 2tbd h TYR 102 CO -0.00 -0.19 -0.46 -0.07 -1.32 0.00 0.00 178.16 176.12 2tbd h LEU 103 N -0.10 -1.10 -1.87 2.82 3.38 -1.92 -2.14 115.31 114.39 2tbd h LEU 103 Ca 0.05 0.04 0.54 0.00 0.09 0.00 0.00 57.88 58.59 2tbd h LEU 103 Cb 0.22 0.28 -0.07 0.00 0.09 0.00 0.00 40.66 41.18 2tbd h LEU 103 CO -0.32 -0.76 1.40 -0.03 0.09 0.00 0.00 178.44 178.82 2tbd h MET 104 N -1.34 0.00 0.00 1.13 4.05 -1.23 0.15 114.93 117.68 2tbd h MET 104 Ca -0.13 0.00 -0.00 0.00 -0.28 0.00 0.00 59.70 59.28 2tbd h MET 104 Cb 0.99 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 31.79 2tbd h MET 104 CO 0.22 0.00 -0.04 -0.92 0.23 0.00 0.00 176.91 176.40 2tbd h TYR 105 N 0.00 0.00 -0.71 1.39 3.20 -0.48 -2.37 116.97 118.00 2tbd h TYR 105 Ca 0.88 0.00 0.12 0.00 3.14 0.00 0.00 58.73 62.87 2tbd h TYR 105 Cb 3.66 0.00 -0.13 0.00 1.54 0.00 0.00 36.73 41.80 2tbd h TYR 105 CO 0.00 0.19 -0.32 1.03 -1.64 0.00 0.00 178.16 177.42 2tbd h SER 106 N -1.00 -1.14 -0.93 -2.11 0.87 -0.14 0.65 113.55 109.76 2tbd h SER 106 Ca -0.00 0.25 0.01 0.00 -1.23 0.00 0.00 61.79 60.82 2tbd h SER 106 Cb 0.22 0.60 -0.05 0.00 -0.44 0.00 0.00 62.40 62.73 2tbd h SER 106 CO -0.00 -0.29 0.61 0.00 -0.53 0.00 0.00 176.83 176.62 2tbd h ALA 107 N 1.22 1.18 0.00 6.23 0.00 -1.41 -0.30 119.26 126.18 2tbd h ALA 107 Ca 0.28 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 2tbd h ALA 107 Cb 0.57 -0.37 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 2tbd h ALA 107 CO -0.77 0.56 -0.02 -0.07 0.00 0.00 0.00 179.25 178.95 2tbd h LEU 108 N 1.24 0.00 0.00 0.00 3.38 0.77 -1.46 115.31 119.24 2tbd h LEU 108 Ca 0.34 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 58.14 2tbd h LEU 108 Cb -0.13 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.59 2tbd h LEU 108 CO -0.08 0.02 -1.27 0.71 0.09 0.00 0.00 178.44 177.90 2tbd h THR 109 N 0.00 0.64 -3.24 0.22 1.35 0.79 -3.35 112.91 109.32 2tbd h THR 109 Ca -0.00 -2.16 -0.57 0.00 -0.55 0.00 0.00 66.41 63.13 2tbd h THR 109 Cb 0.06 2.17 -0.05 0.00 -1.73 0.00 0.00 68.15 68.60 2tbd h THR 109 CO 0.00 0.37 -0.04 -0.60 -0.25 0.00 0.00 175.52 174.99 2tbd s ARG 110 N -2.89 4.21 0.86 4.72 3.52 -0.55 -4.66 118.95 124.16 2tbd s ARG 110 Ca -0.02 0.71 -0.16 0.00 -0.13 0.00 0.00 55.73 56.13 2tbd s ARG 110 Cb 0.08 -3.27 -0.09 0.00 -1.56 0.00 0.00 34.95 30.11 2tbd s ARG 110 CO 0.80 0.56 -0.22 -0.25 -0.81 0.00 0.00 175.30 175.39 2tbd n ASP 111 N 2.02 -4.03 0.00 -2.12 8.00 -1.26 -1.83 116.55 117.33 2tbd n ASP 111 Ca -0.10 0.36 0.04 0.00 0.71 0.00 0.00 54.79 55.81 2tbd n ASP 111 Cb 0.51 -0.94 0.26 0.00 -0.02 0.00 0.00 41.12 40.93 2tbd n ASP 111 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 2tbd n PRO 112 N 0.95 0.90 -2.80 -0.24 -0.04 -1.26 -5.01 135.00 127.49 2tbd n PRO 112 Ca 0.03 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 63.06 2tbd n PRO 112 Cb 0.53 -1.15 -0.04 0.00 -0.04 0.00 0.00 33.50 32.80 2tbd n PRO 112 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2tbd s PHE 113 N -2.00 2.92 0.82 0.54 0.08 -0.76 -4.69 117.98 114.88 2tbd s PHE 113 Ca 0.13 0.41 -0.05 0.00 0.12 0.00 0.00 56.93 57.54 2tbd s PHE 113 Cb 0.06 -4.00 0.17 0.00 -0.57 0.00 0.00 43.02 38.68 2tbd s PHE 113 CO 0.10 -1.11 1.12 -1.54 -0.10 0.00 0.00 175.22 173.69 2tbd s SER 114 N 2.27 3.81 0.10 1.36 1.04 -0.81 -3.59 113.70 117.88 2tbd s SER 114 Ca 0.38 -0.28 0.10 0.00 0.48 0.00 0.00 55.95 56.62 2tbd s SER 114 Cb -0.10 0.09 -0.04 0.00 0.10 0.00 0.00 66.02 66.08 2tbd s SER 114 CO 0.27 -2.24 -0.25 -0.69 0.98 0.00 0.00 173.24 171.31 2tbd s VAL 115 N -3.41 2.03 0.09 5.02 1.01 -1.26 -2.41 120.40 121.48 2tbd s VAL 115 Ca 0.70 -1.58 0.00 0.00 0.00 0.00 0.00 61.98 61.10 2tbd s VAL 115 Cb -0.04 -1.79 0.00 0.00 0.00 0.00 0.00 36.38 34.55 2tbd s VAL 115 CO 0.48 0.11 0.00 -0.38 0.00 0.00 0.00 175.10 175.31 2tbd n ILE 116 N 1.20 0.63 -4.20 2.22 5.41 -0.51 -4.87 119.36 119.24 2tbd n ILE 116 Ca -0.18 0.21 -0.12 0.00 1.00 0.00 0.00 62.75 63.66 2tbd n ILE 116 Cb 0.53 -1.16 -0.10 0.00 -0.71 0.00 0.00 39.64 38.20 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 -1.65 1.16 0.00 0.38 2.56 -1.01 -4.98 118.70 115.16 2tbd s GLU 117 Ca 0.00 -1.60 0.00 0.00 0.00 0.00 0.00 54.97 53.37 2tbd s GLU 117 Cb 0.00 0.20 0.00 0.00 2.00 0.00 0.00 34.13 36.33 2tbd s GLU 117 CO 0.00 -0.35 0.00 -0.85 -0.56 0.00 0.00 175.26 173.50 2tbd n GLU 118 N -0.25 0.00 0.00 4.30 0.00 -1.26 -0.60 120.64 122.83 2tbd n GLU 118 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 57.16 57.30 2tbd n GLU 118 Cb 0.65 0.00 0.82 0.00 0.00 0.00 0.00 31.44 32.92 2tbd n GLU 118 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.13 176.00 2tbd n SER 119 N 0.00 0.00 -4.14 -1.84 3.41 -0.77 -4.65 113.62 105.63 2tbd n SER 119 Ca 0.00 -0.96 -0.31 0.00 -0.26 0.00 0.00 58.87 57.34 2tbd n SER 119 Cb 0.00 0.00 -0.17 0.00 -0.26 0.00 0.00 64.21 63.78 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 -1.95 1.98 -1.47 1.04 1.43 -1.26 -4.95 118.68 113.49 2tbd s LEU 120 Ca 0.42 -0.54 -0.13 0.00 -1.03 0.00 0.00 54.13 52.85 2tbd s LEU 120 Cb 0.19 -1.31 -0.01 0.00 0.03 0.00 0.00 46.19 45.09 2tbd s LEU 120 CO 0.32 0.07 2.43 -0.81 0.23 0.00 0.00 176.35 178.59 2tbd n PRO 121 N 4.02 3.02 0.00 1.29 -0.04 -1.26 -3.52 135.00 138.52 2tbd n PRO 121 Ca -0.20 -2.43 0.00 0.00 -0.04 0.00 0.00 63.50 60.83 2tbd n PRO 121 Cb 0.52 -3.12 0.00 0.00 -0.04 0.00 0.00 33.50 30.86 2tbd n PRO 121 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2tbd n GLY 122 N 3.96 0.67 7.00 0.55 0.00 -1.26 -5.03 105.19 111.08 2tbd n GLY 122 Ca 0.59 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.61 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 3.58 0.00 -0.02 0.00 -1.23 -4.81 105.19 102.71 2tbd n GLY 123 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.92 2tbd n GLY 123 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2tbd n LEU 124 N 0.00 0.00 0.00 0.99 4.32 -1.26 -4.74 117.00 116.31 2tbd n LEU 124 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 2tbd n LEU 124 Cb 0.00 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.80 2tbd n LEU 124 CO 0.00 0.00 0.00 1.17 -1.22 0.00 0.00 177.39 177.34 2tbd n LYS 125 N 0.00 0.00 0.21 3.23 3.00 -1.26 -4.97 118.16 118.37 2tbd n LYS 125 Ca 0.00 0.00 0.05 0.00 -0.00 0.00 0.00 58.31 58.36 2tbd n LYS 125 Cb 0.00 0.00 0.47 0.00 0.00 0.00 0.00 35.03 35.50 2tbd n LYS 125 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.40 178.89 2tbd h GLU 126 N 0.00 0.01 -1.49 1.64 4.81 -2.02 -1.82 114.58 115.70 2tbd h GLU 126 Ca 0.00 -0.00 -0.34 0.00 -0.13 0.00 0.00 59.36 58.88 2tbd h GLU 126 Cb 0.00 -0.00 -0.15 0.00 0.63 0.00 0.00 28.75 29.23 2tbd h GLU 126 CO 0.00 0.22 0.44 -2.39 -0.73 0.00 0.00 179.01 176.55 2tbd n HIS 127 N -4.29 1.64 0.00 0.92 1.44 -1.26 -4.12 115.22 109.55 2tbd n HIS 127 Ca -0.02 -2.02 0.00 0.00 -2.01 0.00 0.00 57.72 53.66 2tbd n HIS 127 Cb 0.27 -0.98 0.00 0.00 0.12 0.00 0.00 29.99 29.40 2tbd n HIS 127 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 2tbd n ASP 128 N 0.27 0.00 -2.57 4.39 8.00 -0.96 -5.13 116.55 120.55 2tbd n ASP 128 Ca 0.32 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.82 2tbd n ASP 128 Cb 0.59 0.03 0.00 0.00 -0.02 0.00 0.00 41.12 41.71 2tbd n ASP 128 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 2tbd n PHE 129 N -1.55 -1.80 0.19 1.24 3.72 -0.73 -4.94 117.46 113.59 2tbd n PHE 129 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 2tbd n PHE 129 Cb 0.00 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.54 2tbd n PHE 129 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 2tbd n ASN 130 N -1.36 -3.35 -3.87 4.37 3.02 -1.26 -4.99 115.26 107.82 2tbd n ASN 130 Ca 0.00 0.72 -0.42 0.00 -0.03 0.00 0.00 54.58 54.85 2tbd n ASN 130 Cb 0.00 3.21 -0.01 0.00 -0.61 0.00 0.00 39.78 42.37 2tbd n ASN 130 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 2tbd n PRO 131 N -3.25 2.59 -3.38 3.52 -0.04 -1.26 -4.89 135.00 128.29 2tbd n PRO 131 Ca 0.00 -2.55 -0.45 0.00 -0.04 0.00 0.00 63.50 60.46 2tbd n PRO 131 Cb 0.00 -3.27 -0.06 0.00 -0.04 0.00 0.00 33.50 30.13 2tbd n PRO 131 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 2tbd s GLU 132 N 3.84 2.89 -0.09 0.54 2.12 -1.26 -4.98 118.70 121.77 2tbd s GLU 132 Ca 0.51 -1.78 -0.00 0.00 0.36 0.00 0.00 54.97 54.06 2tbd s GLU 132 Cb 0.12 -4.21 -0.03 0.00 0.26 0.00 0.00 34.13 30.27 2tbd s GLU 132 CO -0.01 -1.29 -0.06 -1.54 -0.54 0.00 0.00 175.26 171.82 2tbd s SER 133 N 3.26 4.72 0.00 -1.70 1.04 -1.26 -5.27 113.70 114.49 2tbd s SER 133 Ca 0.05 -0.03 0.26 0.00 0.48 0.00 0.00 55.95 56.71 2tbd s SER 133 Cb -0.28 -1.33 1.56 0.00 0.10 0.00 0.00 66.02 66.08 2tbd s SER 133 CO 0.01 0.33 1.91 -1.20 0.98 0.00 0.00 173.24 175.27