#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2tbd n SER 2 N 0.00 0.00 -1.30 1.61 2.88 -1.26 -5.16 113.62 110.39 2tbd n SER 2 Ca 0.00 0.00 0.16 0.00 -1.33 0.00 0.00 58.87 57.70 2tbd n SER 2 Cb 0.00 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.38 2tbd n SER 2 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2tbd n LYS 3 N -1.35 -2.98 -1.55 -1.46 5.02 -1.26 -4.55 118.16 110.03 2tbd n LYS 3 Ca 0.00 2.40 -0.62 0.00 -2.02 0.00 0.00 58.31 58.07 2tbd n LYS 3 Cb 0.00 -3.50 -0.10 0.00 -0.02 0.00 0.00 35.03 31.42 2tbd n LYS 3 CO 0.00 0.00 0.00 1.55 -0.52 0.00 0.00 177.40 178.43 2tbd n VAL 4 N -4.12 0.08 -1.96 -0.18 3.14 -1.26 -4.75 118.33 109.28 2tbd n VAL 4 Ca -0.07 -0.04 -0.36 0.00 -2.96 0.00 0.00 64.34 60.90 2tbd n VAL 4 Cb 0.62 -0.75 -0.03 0.00 -1.06 0.00 0.00 33.84 32.61 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 4.38 2.51 0.83 1.45 2.12 -1.26 -4.95 118.70 123.78 2tbd s GLU 5 Ca 1.09 0.65 -0.12 0.00 0.36 0.00 0.00 54.97 56.95 2tbd s GLU 5 Cb -1.35 -4.49 0.09 0.00 0.26 0.00 0.00 34.13 28.63 2tbd s GLU 5 CO 0.71 -2.92 1.12 -0.51 -0.54 0.00 0.00 175.26 173.12 2tbd s ASP 6 N 8.80 4.26 -0.01 -1.70 1.01 -1.26 -5.00 116.67 122.78 2tbd s ASP 6 Ca 0.73 1.10 -0.30 0.00 0.71 0.00 0.00 52.55 54.79 2tbd s ASP 6 Cb -0.13 -1.76 -0.03 0.00 1.01 0.00 0.00 42.92 42.01 2tbd s ASP 6 CO 0.19 -2.09 1.07 -2.16 0.21 0.00 0.00 175.17 172.39 2tbd s PRO 7 N -5.28 4.47 0.00 8.23 0.04 -1.26 -4.93 135.00 136.28 2tbd s PRO 7 Ca 0.62 1.54 0.15 0.00 0.04 0.00 0.00 61.00 63.35 2tbd s PRO 7 Cb -0.14 -3.46 0.44 0.00 0.04 0.00 0.00 34.50 31.38 2tbd s PRO 7 CO 0.53 -0.20 1.35 0.36 0.04 0.00 0.00 177.00 179.08 2tbd n LYS 8 N 4.27 1.97 -3.66 4.56 0.00 -1.26 -4.95 118.16 119.09 2tbd n LYS 8 Ca 0.08 -1.49 0.03 0.00 -0.00 0.00 0.00 58.31 56.92 2tbd n LYS 8 Cb 0.49 -1.35 -0.00 0.00 -0.00 0.00 0.00 35.03 34.17 2tbd n LYS 8 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 2tbd s ASP 9 N -1.11 -0.03 1.07 -5.58 2.15 -1.26 -5.03 116.67 106.89 2tbd s ASP 9 Ca 0.30 -0.09 -0.15 0.00 0.43 0.00 0.00 52.55 53.03 2tbd s ASP 9 Cb 0.16 0.10 0.14 0.00 -0.30 0.00 0.00 42.92 43.01 2tbd s ASP 9 CO 0.21 -0.18 0.45 0.49 -0.17 0.00 0.00 175.17 175.96 2tbd n PHE 10 N -0.57 -1.17 -2.59 -5.34 3.01 -1.26 -4.91 117.46 104.63 2tbd n PHE 10 Ca -0.07 0.12 -0.42 0.00 1.01 0.00 0.00 57.45 58.09 2tbd n PHE 10 Cb 0.63 -1.69 -0.03 0.00 -0.01 0.00 0.00 39.48 38.37 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 -3.83 4.55 0.60 -1.08 0.04 -1.26 -4.89 135.00 129.14 2tbd s PRO 11 Ca 0.60 1.59 0.31 0.00 0.04 0.00 0.00 61.00 63.54 2tbd s PRO 11 Cb -0.18 -3.38 1.17 0.00 0.04 0.00 0.00 34.50 32.15 2tbd s PRO 11 CO 0.65 -0.04 1.48 1.03 0.04 0.00 0.00 177.00 180.16 2tbd h SER 12 N 6.26 0.00 0.19 6.66 0.87 -1.97 0.29 113.55 125.86 2tbd h SER 12 Ca -0.42 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.13 2tbd h SER 12 Cb 1.22 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.18 2tbd h SER 12 CO 0.76 0.00 -0.09 -0.08 -0.53 0.00 0.00 176.83 176.89 2tbd h GLU 13 N 0.00 -0.25 -0.01 2.24 4.57 -2.02 -1.69 114.58 117.41 2tbd h GLU 13 Ca 0.49 0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.69 2tbd h GLU 13 Cb 2.65 0.06 0.00 0.00 -0.16 0.00 0.00 28.75 31.30 2tbd h GLU 13 CO -0.01 -0.13 0.00 1.28 -1.18 0.00 0.00 179.01 178.98 2tbd n LEU 14 N -5.18 0.14 -0.56 1.64 4.77 1.00 -3.35 117.00 115.46 2tbd n LEU 14 Ca -0.09 -0.06 0.03 0.00 -0.03 0.00 0.00 56.01 55.86 2tbd n LEU 14 Cb 0.14 -0.01 0.10 0.00 -2.33 0.00 0.00 43.42 41.33 2tbd n LEU 14 CO 0.34 0.03 0.54 0.18 -1.33 0.00 0.00 177.39 177.15 2tbd n LEU 15 N -0.70 1.55 0.00 2.23 4.77 -0.63 -3.52 117.00 120.70 2tbd n LEU 15 Ca 0.14 -0.78 0.12 0.00 -0.03 0.00 0.00 56.01 55.47 2tbd n LEU 15 Cb 0.09 -0.27 0.31 0.00 -2.33 0.00 0.00 43.42 41.22 2tbd n LEU 15 CO 0.11 0.31 0.54 -1.20 -1.33 0.00 0.00 177.39 175.82 2tbd n SER 16 N 0.16 0.42 -2.83 -1.43 7.64 -1.21 -4.50 113.62 111.86 2tbd n SER 16 Ca 0.08 -0.09 -0.10 0.00 1.01 0.00 0.00 58.87 59.76 2tbd n SER 16 Cb 0.29 0.11 0.02 0.00 -1.01 0.00 0.00 64.21 63.62 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 -1.54 -2.93 -4.50 1.43 1.16 -1.23 -5.11 117.46 104.74 2tbd n PHE 17 Ca 0.06 -2.00 -0.25 0.00 -1.87 0.00 0.00 57.45 53.38 2tbd n PHE 17 Cb 0.34 1.25 -0.08 0.00 -1.61 0.00 0.00 39.48 39.38 2tbd n PHE 17 CO 0.00 0.00 0.00 -1.17 -1.87 0.00 0.00 176.76 173.72 2tbd s LEU 18 N -0.56 1.97 -0.13 5.98 2.96 -1.26 -4.26 118.68 123.39 2tbd s LEU 18 Ca 0.32 -1.70 -0.22 0.00 -0.22 0.00 0.00 54.13 52.32 2tbd s LEU 18 Cb 0.19 -0.05 -0.26 0.00 0.50 0.00 0.00 46.19 46.57 2tbd s LEU 18 CO -0.20 -0.96 0.60 0.77 -1.32 0.00 0.00 176.35 175.24 2tbd h SER 19 N 1.79 0.21 -4.64 3.68 4.64 -1.85 -3.41 113.55 113.97 2tbd h SER 19 Ca -0.34 -0.84 -0.18 0.00 -0.47 0.00 0.00 61.79 59.96 2tbd h SER 19 Cb 1.27 -0.07 0.13 0.00 -0.31 0.00 0.00 62.40 63.42 2tbd h SER 19 CO 0.55 1.39 -0.58 1.41 -0.87 0.00 0.00 176.83 178.73 2tbd n HIS 20 N -4.25 -1.65 0.00 4.77 8.25 -1.26 -5.03 115.22 116.05 2tbd n HIS 20 Ca -0.21 0.60 0.00 0.00 -0.26 0.00 0.00 57.72 57.85 2tbd n HIS 20 Cb 0.73 -3.71 0.00 0.00 1.12 0.00 0.00 29.99 28.13 2tbd n HIS 20 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2tbd n ALA 21 N -2.77 0.00 0.13 -1.41 0.00 -1.26 -5.04 120.51 110.16 2tbd n ALA 21 Ca -0.08 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.41 2tbd n ALA 21 Cb 0.59 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.98 2tbd n ALA 21 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2tbd n VAL 22 N -0.25 0.00 -2.50 0.00 0.31 -1.26 -4.58 118.33 110.05 2tbd n VAL 22 Ca 0.00 -0.23 -0.21 0.00 -0.01 0.00 0.00 64.34 63.89 2tbd n VAL 22 Cb 0.00 0.53 0.01 0.00 -0.91 0.00 0.00 33.84 33.47 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 -1.61 2.65 -0.67 3.52 3.01 -1.26 -2.60 117.46 120.51 2tbd n PHE 23 Ca -0.01 -2.90 0.00 0.00 1.01 0.00 0.00 57.45 55.56 2tbd n PHE 23 Cb 0.20 -0.19 0.00 0.00 -0.01 0.00 0.00 39.48 39.47 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 -0.40 -0.31 -0.01 4.37 2.88 -1.26 -5.04 113.62 113.85 2tbd n SER 24 Ca 0.30 -0.67 -0.02 0.00 -1.33 0.00 0.00 58.87 57.16 2tbd n SER 24 Cb 0.74 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 64.19 2tbd n SER 24 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 2tbd n ASN 25 N -2.48 3.85 -4.62 -3.46 0.23 -1.26 -4.92 115.26 102.59 2tbd n ASN 25 Ca 0.00 -0.01 -0.43 0.00 -0.53 0.00 0.00 54.58 53.60 2tbd n ASN 25 Cb 0.00 -0.02 -0.03 0.00 -2.08 0.00 0.00 39.78 37.65 2tbd n ASN 25 CO 0.00 0.00 0.00 -1.14 -0.93 0.00 0.00 177.26 175.19 2tbd n ARG 26 N -2.55 2.32 -2.72 -3.83 0.63 -1.26 -4.92 116.66 104.33 2tbd n ARG 26 Ca -0.04 0.76 -0.42 0.00 -0.92 0.00 0.00 57.85 57.23 2tbd n ARG 26 Cb 0.54 -3.07 -0.03 0.00 0.45 0.00 0.00 32.46 30.36 2tbd n ARG 26 CO 0.00 0.00 0.00 0.95 -2.51 0.00 0.00 177.63 176.07 2tbd s THR 27 N 6.37 4.87 -0.00 5.15 -4.23 -1.26 -4.80 115.64 121.73 2tbd s THR 27 Ca 0.96 2.04 0.01 0.00 -1.18 0.00 0.00 61.69 63.52 2tbd s THR 27 Cb -0.43 -4.31 -0.00 0.00 1.34 0.00 0.00 72.50 69.10 2tbd s THR 27 CO 0.40 0.17 -0.03 -1.48 -0.54 0.00 0.00 174.62 173.13 2tbd s LEU 28 N 0.98 1.95 -0.25 4.79 2.34 -1.23 -4.88 118.68 122.38 2tbd s LEU 28 Ca 0.51 -0.07 0.03 0.00 0.06 0.00 0.00 54.13 54.67 2tbd s LEU 28 Cb -0.21 -0.20 0.41 0.00 -0.56 0.00 0.00 46.19 45.64 2tbd s LEU 28 CO 0.28 0.04 1.51 0.00 -1.06 0.00 0.00 176.35 177.11 2tbd n ALA 29 N 3.07 4.21 -3.20 1.48 0.00 -1.26 -3.89 120.51 120.92 2tbd n ALA 29 Ca -0.14 -1.65 -0.29 0.00 0.00 0.00 0.00 53.44 51.36 2tbd n ALA 29 Cb 0.58 -1.24 -0.17 0.00 0.00 0.00 0.00 19.45 18.62 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 0.35 -0.28 -0.17 0.00 0.40 -1.04 -2.52 117.98 114.72 2tbd s PHE 31 Ca -0.14 0.65 -0.00 0.00 -0.60 0.00 0.00 56.93 56.83 2tbd s PHE 31 Cb -0.16 0.10 -0.00 0.00 0.51 0.00 0.00 43.02 43.47 2tbd s PHE 31 CO 0.06 -0.22 -0.14 0.00 0.70 0.00 0.00 175.22 175.62 2tbd s ALA 32 N -0.25 2.54 -0.16 5.36 0.00 -0.52 -2.49 121.76 126.24 2tbd s ALA 32 Ca -0.04 -1.08 -0.08 0.00 0.00 0.00 0.00 51.96 50.77 2tbd s ALA 32 Cb -0.03 -1.30 -0.04 0.00 0.00 0.00 0.00 23.12 21.75 2tbd s ALA 32 CO 0.01 -0.12 0.11 0.42 0.00 0.00 0.00 175.76 176.19 2tbd s ILE 33 N 0.95 5.25 -0.29 0.00 1.01 -0.77 -2.10 121.20 125.25 2tbd s ILE 33 Ca -0.02 0.12 0.03 0.00 0.00 0.00 0.00 60.65 60.78 2tbd s ILE 33 Cb -0.15 -3.34 0.08 0.00 0.01 0.00 0.00 42.46 39.06 2tbd s ILE 33 CO -0.02 0.53 -0.04 -0.47 0.00 0.00 0.00 174.94 174.93 2tbd s TYR 34 N -0.27 3.46 0.36 3.97 5.04 -0.56 -0.38 117.35 128.96 2tbd s TYR 34 Ca 0.10 -2.60 -0.17 0.00 -2.44 0.00 0.00 57.07 51.97 2tbd s TYR 34 Cb -0.12 -2.33 0.06 0.00 0.35 0.00 0.00 41.96 39.92 2tbd s TYR 34 CO 0.01 -0.91 0.82 -0.08 -1.34 0.00 0.00 175.55 174.05 2tbd s THR 35 N 1.02 0.00 0.72 4.34 -1.32 -1.06 -1.62 115.64 117.73 2tbd s THR 35 Ca -0.01 -0.95 -0.16 0.00 -1.21 0.00 0.00 61.69 59.36 2tbd s THR 35 Cb -0.20 -2.84 -0.07 0.00 -1.51 0.00 0.00 72.50 67.89 2tbd s THR 35 CO -0.06 0.00 0.28 0.35 -2.21 0.00 0.00 174.62 172.98 2tbd n THR 36 N -0.55 1.25 -0.00 5.08 -2.24 -1.26 -1.98 114.28 114.58 2tbd n THR 36 Ca -0.08 -0.42 -0.11 0.00 -2.27 0.00 0.00 64.05 61.17 2tbd n THR 36 Cb 0.60 -0.54 -0.06 0.00 -2.10 0.00 0.00 70.33 68.23 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 -0.41 0.12 -1.02 -0.78 2.10 -1.88 -1.86 116.57 112.85 2tbd h LYS 37 Ca -0.45 -0.01 0.25 0.00 -2.00 0.00 0.00 60.65 58.44 2tbd h LYS 37 Cb 1.36 -0.03 -0.10 0.00 -0.90 0.00 0.00 32.23 32.57 2tbd h LYS 37 CO 0.40 0.13 0.64 0.93 -2.00 0.00 0.00 179.45 179.56 2tbd h GLU 38 N 0.08 0.45 0.46 0.07 3.07 -2.00 -1.68 114.58 115.03 2tbd h GLU 38 Ca 0.03 -0.03 -0.02 0.00 -0.50 0.00 0.00 59.36 58.84 2tbd h GLU 38 Cb 0.04 -0.10 0.00 0.00 -0.84 0.00 0.00 28.75 27.85 2tbd h GLU 38 CO -0.01 0.30 -0.22 -0.22 -1.40 0.00 0.00 179.01 177.46 2tbd h LYS 39 N 0.47 -0.59 -0.84 2.33 3.64 -1.67 -2.88 116.57 117.03 2tbd h LYS 39 Ca 0.58 0.04 0.16 0.00 -1.27 0.00 0.00 60.65 60.17 2tbd h LYS 39 Cb 1.35 0.13 -0.16 0.00 -0.41 0.00 0.00 32.23 33.15 2tbd h LYS 39 CO -0.31 -0.40 -0.23 0.00 -2.27 0.00 0.00 179.45 176.24 2tbd h ALA 40 N -1.67 0.50 -0.73 5.00 0.00 -1.11 0.19 119.26 121.44 2tbd h ALA 40 Ca -0.06 0.32 0.13 0.00 0.00 0.00 0.00 54.91 55.29 2tbd h ALA 40 Cb 0.47 0.67 -0.13 0.00 0.00 0.00 0.00 17.79 18.79 2tbd h ALA 40 CO 0.10 -0.43 -0.31 0.00 0.00 0.00 0.00 179.25 178.62 2tbd h ALA 41 N 1.77 0.15 -0.33 0.00 0.00 -1.24 0.55 119.26 120.16 2tbd h ALA 41 Ca 0.39 0.23 -0.01 0.00 0.00 0.00 0.00 54.91 55.51 2tbd h ALA 41 Cb 0.61 0.79 -0.01 0.00 0.00 0.00 0.00 17.79 19.17 2tbd h ALA 41 CO -0.86 -0.60 0.15 -0.07 0.00 0.00 0.00 179.25 177.87 2tbd h LEU 42 N -0.09 0.43 0.00 0.00 3.38 -0.46 -1.24 115.31 117.34 2tbd h LEU 42 Ca 0.30 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.13 2tbd h LEU 42 Cb 0.57 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.21 2tbd h LEU 42 CO -0.78 0.45 0.00 0.18 0.09 0.00 0.00 178.44 178.38 2tbd n LEU 43 N -4.74 0.00 0.02 1.67 4.77 0.35 -1.18 117.00 117.88 2tbd n LEU 43 Ca -0.01 0.36 -0.01 0.00 -0.03 0.00 0.00 56.01 56.32 2tbd n LEU 43 Cb 0.11 -0.36 -0.01 0.00 -2.33 0.00 0.00 43.42 40.84 2tbd n LEU 43 CO 0.36 -0.22 0.09 0.22 -1.33 0.00 0.00 177.39 176.51 2tbd h TYR 44 N 0.00 -0.07 0.00 -1.77 3.20 0.12 -0.87 116.97 117.58 2tbd h TYR 44 Ca 0.00 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 2tbd h TYR 44 Cb 0.15 0.02 0.00 0.00 1.54 0.00 0.00 36.73 38.44 2tbd h TYR 44 CO 0.00 -0.04 0.00 0.36 -1.64 0.00 0.00 178.16 176.84 2tbd n LYS 45 N -2.92 0.02 -0.08 1.82 2.85 -1.21 -2.24 118.16 116.40 2tbd n LYS 45 Ca -0.01 0.18 -0.11 0.00 -1.05 0.00 0.00 58.31 57.33 2tbd n LYS 45 Cb 0.03 -1.54 -0.05 0.00 -0.65 0.00 0.00 35.03 32.82 2tbd n LYS 45 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 2tbd n LYS 46 N -1.58 0.49 0.27 -1.58 4.76 -0.33 -4.18 118.16 116.01 2tbd n LYS 46 Ca 0.05 0.54 0.12 0.00 -2.87 0.00 0.00 58.31 56.14 2tbd n LYS 46 Cb 0.24 -1.71 0.75 0.00 -1.84 0.00 0.00 35.03 32.46 2tbd n LYS 46 CO 0.00 0.00 0.00 0.82 -1.37 0.00 0.00 177.40 176.85 2tbd h ILE 47 N -1.00 0.69 0.00 -0.18 1.08 -1.21 -1.38 117.51 115.51 2tbd h ILE 47 Ca -0.13 -0.32 0.00 0.00 -0.39 0.00 0.00 64.86 64.02 2tbd h ILE 47 Cb 0.80 1.20 0.00 0.00 -3.07 0.00 0.00 36.82 35.74 2tbd h ILE 47 CO -0.08 0.08 0.05 0.23 -0.69 0.00 0.00 178.15 177.74 2tbd n MET 48 N -3.91 0.08 0.01 2.37 2.81 -0.95 -1.95 117.12 115.59 2tbd n MET 48 Ca -0.02 0.57 -0.02 0.00 -1.81 0.00 0.00 57.70 56.41 2tbd n MET 48 Cb 0.17 -1.82 -0.01 0.00 -0.71 0.00 0.00 33.22 30.86 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 -1.94 0.14 0.22 0.03 1.02 -0.54 -2.77 120.64 116.81 2tbd n GLU 49 Ca -0.01 0.06 0.14 0.00 -0.02 0.00 0.00 57.16 57.33 2tbd n GLU 49 Cb 0.07 -0.74 0.55 0.00 -0.02 0.00 0.00 31.44 31.30 2tbd n GLU 49 CO 0.00 0.00 0.00 1.57 1.18 0.00 0.00 177.13 179.88 2tbd h LYS 50 N -0.27 0.00 0.00 3.49 -0.00 -1.54 -2.99 116.57 115.27 2tbd h LYS 50 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.65 2tbd h LYS 50 Cb 0.27 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 32.50 2tbd h LYS 50 CO 0.00 0.00 -0.12 0.66 -0.00 0.00 0.00 179.45 179.99 2tbd n TYR 51 N -2.99 0.00 -3.20 0.07 4.02 -0.90 -5.03 117.16 109.13 2tbd n TYR 51 Ca 0.03 0.00 -0.15 0.00 -0.01 0.00 0.00 57.90 57.77 2tbd n TYR 51 Cb 0.72 0.00 0.06 0.00 -0.02 0.00 0.00 39.34 40.11 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 -0.30 -3.64 -3.27 7.72 7.64 -0.82 -3.91 113.62 117.04 2tbd n SER 52 Ca 0.00 -0.44 -0.41 0.00 1.01 0.00 0.00 58.87 59.03 2tbd n SER 52 Cb 0.01 -3.95 -0.05 0.00 -1.01 0.00 0.00 64.21 59.21 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 -3.87 0.34 0.40 0.44 0.24 -1.25 -4.59 118.33 110.04 2tbd n VAL 53 Ca -0.11 -0.08 0.06 0.00 -2.04 0.00 0.00 64.34 62.17 2tbd n VAL 53 Cb 0.59 0.00 0.27 0.00 -1.47 0.00 0.00 33.84 33.23 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 0.84 1.16 0.00 3.34 -1.04 -1.26 -4.71 114.28 112.62 2tbd n THR 54 Ca 0.14 0.30 0.00 0.00 -2.04 0.00 0.00 64.05 62.45 2tbd n THR 54 Cb 0.09 -1.11 0.00 0.00 -1.82 0.00 0.00 70.33 67.49 2tbd n THR 54 CO 0.00 0.00 0.00 0.33 -0.64 0.00 0.00 175.07 174.76 2tbd n PHE 55 N -1.56 0.00 -3.67 -1.42 7.35 -1.26 -4.87 117.46 112.02 2tbd n PHE 55 Ca 0.03 0.00 -0.18 0.00 -0.76 0.00 0.00 57.45 56.54 2tbd n PHE 55 Cb 0.14 0.00 -0.16 0.00 0.35 0.00 0.00 39.48 39.81 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 -0.37 -0.19 -0.15 -2.13 2.07 -1.26 -2.18 121.20 116.98 2tbd s ILE 56 Ca 0.00 0.37 0.01 0.00 -1.41 0.00 0.00 60.65 59.63 2tbd s ILE 56 Cb 0.00 -0.24 0.00 0.00 0.13 0.00 0.00 42.46 42.36 2tbd s ILE 56 CO 0.00 0.16 -0.19 -0.55 -1.91 0.00 0.00 174.94 172.45 2tbd s SER 57 N 2.17 3.38 -0.42 4.50 0.15 0.21 -2.80 113.70 120.89 2tbd s SER 57 Ca 0.03 -0.54 -0.24 0.00 0.70 0.00 0.00 55.95 55.90 2tbd s SER 57 Cb -0.12 -1.50 0.02 0.00 -1.71 0.00 0.00 66.02 62.71 2tbd s SER 57 CO -0.05 0.08 0.83 -0.60 1.20 0.00 0.00 173.24 174.70 2tbd s ARG 58 N 0.83 3.57 0.44 5.44 3.52 -0.46 -1.79 118.95 130.50 2tbd s ARG 58 Ca -0.06 0.13 0.03 0.00 -0.13 0.00 0.00 55.73 55.71 2tbd s ARG 58 Cb -0.15 -3.89 0.03 0.00 -1.56 0.00 0.00 34.95 29.38 2tbd s ARG 58 CO -0.01 -1.05 0.26 0.72 -0.81 0.00 0.00 175.30 174.41 2tbd n HIS 59 N 6.74 -0.39 -4.38 5.12 8.25 -0.97 -0.77 115.22 128.81 2tbd n HIS 59 Ca 0.04 -1.91 -0.27 0.00 -0.26 0.00 0.00 57.72 55.31 2tbd n HIS 59 Cb 0.48 -0.34 -0.13 0.00 1.12 0.00 0.00 29.99 31.12 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 -3.53 3.02 0.00 0.41 -0.87 -1.04 -1.32 114.94 111.60 2tbd s ASN 60 Ca 0.20 -0.72 0.00 0.00 -1.57 0.00 0.00 52.86 50.77 2tbd s ASN 60 Cb -0.02 -0.19 0.00 0.00 -0.02 0.00 0.00 41.25 41.02 2tbd s ASN 60 CO 0.13 0.14 0.00 -1.54 -2.57 0.00 0.00 177.10 173.25 2tbd n SER 61 N 1.03 0.00 0.07 -1.22 3.41 -0.66 -1.86 113.62 114.39 2tbd n SER 61 Ca -0.18 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.43 2tbd n SER 61 Cb 0.53 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.48 2tbd n SER 61 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 2tbd n TYR 62 N -0.45 -1.09 -0.01 7.33 4.02 -1.26 -4.77 117.16 120.93 2tbd n TYR 62 Ca 0.00 0.19 0.00 0.00 -0.01 0.00 0.00 57.90 58.08 2tbd n TYR 62 Cb 0.00 0.35 0.00 0.00 -0.02 0.00 0.00 39.34 39.67 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 -3.23 0.48 -2.43 7.72 3.02 -1.26 -5.07 115.26 114.48 2tbd n ASN 63 Ca 0.00 -0.74 -0.11 0.00 -0.03 0.00 0.00 54.58 53.71 2tbd n ASN 63 Cb 0.06 0.51 -0.03 0.00 -0.61 0.00 0.00 39.78 39.71 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 -0.51 -1.10 -4.22 3.10 8.25 -1.26 -4.83 115.22 114.65 2tbd n HIS 64 Ca 0.00 -1.70 -0.23 0.00 -0.26 0.00 0.00 57.72 55.53 2tbd n HIS 64 Cb 0.00 0.37 -0.07 0.00 1.12 0.00 0.00 29.99 31.42 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 -2.55 4.66 -0.44 0.41 0.02 -0.84 -1.65 114.94 114.56 2tbd s ASN 65 Ca 0.21 -0.66 -0.08 0.00 -1.02 0.00 0.00 52.86 51.32 2tbd s ASN 65 Cb -0.00 -0.85 0.11 0.00 0.02 0.00 0.00 41.25 40.52 2tbd s ASN 65 CO 0.15 -0.09 0.29 -0.63 0.02 0.00 0.00 177.10 176.84 2tbd s ILE 66 N -2.34 4.02 -1.07 0.60 1.09 -0.44 -2.56 121.20 120.50 2tbd s ILE 66 Ca 0.33 -1.74 -0.22 0.00 -1.10 0.00 0.00 60.65 57.92 2tbd s ILE 66 Cb -0.05 -3.61 0.04 0.00 -1.06 0.00 0.00 42.46 37.77 2tbd s ILE 66 CO 0.21 -0.68 1.58 -0.22 -0.10 0.00 0.00 174.94 175.72 2tbd s LEU 67 N 1.33 3.52 0.02 2.97 2.96 0.49 -2.30 118.68 127.66 2tbd s LEU 67 Ca 0.05 -1.57 -0.30 0.00 -0.22 0.00 0.00 54.13 52.09 2tbd s LEU 67 Cb -0.25 -2.57 -0.04 0.00 0.50 0.00 0.00 46.19 43.83 2tbd s LEU 67 CO -0.01 -1.63 1.08 0.12 -1.32 0.00 0.00 176.35 174.59 2tbd s PHE 68 N 5.58 3.54 -0.16 5.38 5.36 -0.74 -1.85 117.98 135.10 2tbd s PHE 68 Ca 0.51 1.51 -0.20 0.00 -0.96 0.00 0.00 56.93 57.79 2tbd s PHE 68 Cb 0.00 -3.26 0.05 0.00 -0.34 0.00 0.00 43.02 39.48 2tbd s PHE 68 CO -0.05 -0.58 0.53 -0.59 -1.46 0.00 0.00 175.22 173.07 2tbd s PHE 69 N 1.14 -0.55 0.00 10.12 -0.71 -1.04 -0.62 117.98 126.32 2tbd s PHE 69 Ca 0.55 1.27 0.00 0.00 -1.04 0.00 0.00 56.93 57.70 2tbd s PHE 69 Cb -0.24 0.22 0.00 0.00 -1.21 0.00 0.00 43.02 41.78 2tbd s PHE 69 CO 0.28 -0.34 0.00 1.28 -1.34 0.00 0.00 175.22 175.10 2tbd n LEU 70 N 2.37 0.00 -3.43 -1.99 4.77 -0.93 -2.50 117.00 115.29 2tbd n LEU 70 Ca -0.15 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.71 2tbd n LEU 70 Cb 0.56 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.63 2tbd n LEU 70 CO 0.12 -0.35 0.41 0.42 -1.33 0.00 0.00 177.39 176.67 2tbd s THR 71 N 0.73 0.00 0.00 -5.08 -4.23 0.16 -4.02 115.64 103.20 2tbd s THR 71 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.51 2tbd s THR 71 Cb 0.00 -1.00 0.00 0.00 1.34 0.00 0.00 72.50 72.84 2tbd s THR 71 CO 0.00 0.00 0.00 -0.81 -0.54 0.00 0.00 174.62 173.27 2tbd n PRO 72 N -0.29 0.00 -0.41 3.99 -0.04 -1.25 -4.75 135.00 132.25 2tbd n PRO 72 Ca -0.17 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.11 2tbd n PRO 72 Cb 0.64 -0.06 0.17 0.00 -0.04 0.00 0.00 33.50 34.22 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 -2.77 -3.99 0.54 1.44 -1.26 -4.86 115.22 104.32 2tbd n HIS 73 Ca 0.00 -0.23 -0.31 0.00 -2.01 0.00 0.00 57.72 55.17 2tbd n HIS 73 Cb 0.00 -1.25 -0.05 0.00 0.12 0.00 0.00 29.99 28.80 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 -3.80 3.19 -0.13 -1.40 0.52 -1.26 -4.58 118.95 111.49 2tbd s ARG 74 Ca 0.40 -0.53 -0.11 0.00 -0.52 0.00 0.00 55.73 54.96 2tbd s ARG 74 Cb -0.07 -2.91 0.04 0.00 0.52 0.00 0.00 34.95 32.53 2tbd s ARG 74 CO 0.33 0.60 0.34 -3.38 0.02 0.00 0.00 175.30 173.21 2tbd s HIS 75 N -1.42 -0.38 0.50 -0.53 -3.43 -1.25 -4.97 115.29 103.80 2tbd s HIS 75 Ca 0.31 0.93 -0.21 0.00 -0.80 0.00 0.00 55.06 55.29 2tbd s HIS 75 Cb -0.13 0.13 -0.07 0.00 -1.43 0.00 0.00 32.58 31.09 2tbd s HIS 75 CO 0.24 -0.19 1.13 0.50 -2.00 0.00 0.00 174.74 174.41 2tbd s ARG 76 N 0.32 3.60 0.41 -0.38 3.52 -1.26 -3.55 118.95 121.61 2tbd s ARG 76 Ca -0.01 1.64 0.23 0.00 -0.13 0.00 0.00 55.73 57.46 2tbd s ARG 76 Cb -0.03 -2.20 1.25 0.00 -1.56 0.00 0.00 34.95 32.42 2tbd s ARG 76 CO -0.01 -0.66 1.67 0.28 -0.81 0.00 0.00 175.30 175.78 2tbd h VAL 77 N 1.55 0.00 0.06 7.11 2.07 -1.87 0.17 116.25 125.33 2tbd h VAL 77 Ca -0.50 0.00 -0.27 0.00 0.82 0.00 0.00 66.70 66.75 2tbd h VAL 77 Cb 1.25 0.51 0.02 0.00 -1.52 0.00 0.00 31.29 31.55 2tbd h VAL 77 CO 0.59 0.00 -1.12 0.77 0.02 0.00 0.00 177.57 177.83 2tbd h SER 78 N 0.00 0.76 0.37 0.57 4.64 -1.83 -0.57 113.55 117.50 2tbd h SER 78 Ca 0.00 -0.67 -0.02 0.00 -0.47 0.00 0.00 61.79 60.64 2tbd h SER 78 Cb 0.27 -0.24 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 2tbd h SER 78 CO 0.00 1.48 -0.18 0.00 -0.87 0.00 0.00 176.83 177.26 2tbd h ALA 79 N 0.46 -0.50 -0.79 5.18 0.00 -1.00 -1.52 119.26 121.09 2tbd h ALA 79 Ca -0.14 -0.19 0.04 0.00 0.00 0.00 0.00 54.91 54.62 2tbd h ALA 79 Cb 1.78 0.19 -0.05 0.00 0.00 0.00 0.00 17.79 19.71 2tbd h ALA 79 CO 0.21 -0.58 0.50 0.82 0.00 0.00 0.00 179.25 180.19 2tbd h ILE 80 N -0.90 1.08 -0.54 0.00 1.08 -1.58 0.17 117.51 116.82 2tbd h ILE 80 Ca -0.05 -0.32 0.12 0.00 -0.39 0.00 0.00 64.86 64.21 2tbd h ILE 80 Cb 0.54 0.06 -0.03 0.00 -3.07 0.00 0.00 36.82 34.32 2tbd h ILE 80 CO 0.08 0.17 0.37 -1.13 -0.69 0.00 0.00 178.15 176.96 2tbd h ASN 81 N 0.94 0.19 -0.65 1.72 -1.24 -1.03 0.62 115.58 116.14 2tbd h ASN 81 Ca 0.33 0.01 -0.01 0.00 0.71 0.00 0.00 56.30 57.33 2tbd h ASN 81 Cb 0.07 -0.03 -0.03 0.00 0.73 0.00 0.00 38.32 39.06 2tbd h ASN 81 CO -0.14 0.11 0.36 -1.13 -1.29 0.00 0.00 177.43 175.34 2tbd h ASN 82 N 0.21 0.81 0.38 1.15 -0.73 0.42 0.13 115.58 117.94 2tbd h ASN 82 Ca 0.25 -0.09 -0.02 0.00 1.87 0.00 0.00 56.30 58.31 2tbd h ASN 82 Cb 0.72 -0.21 0.00 0.00 0.27 0.00 0.00 38.32 39.11 2tbd h ASN 82 CO -0.05 0.67 -0.18 0.22 -0.37 0.00 0.00 177.43 177.72 2tbd h TYR 83 N 0.89 -0.47 -0.34 0.67 3.20 -0.78 -2.46 116.97 117.68 2tbd h TYR 83 Ca 0.23 -0.01 0.10 0.00 3.14 0.00 0.00 58.73 62.19 2tbd h TYR 83 Cb 0.04 0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.45 2tbd h TYR 83 CO -0.01 -0.29 0.55 0.00 -1.64 0.00 0.00 178.16 176.77 2tbd h ALA 84 N -1.21 1.99 0.00 1.82 0.00 -1.29 0.38 119.26 120.96 2tbd h ALA 84 Ca -0.05 -0.01 -0.24 0.00 0.00 0.00 0.00 54.91 54.61 2tbd h ALA 84 Cb 0.39 0.03 0.02 0.00 0.00 0.00 0.00 17.79 18.22 2tbd h ALA 84 CO 0.09 -0.73 -0.92 0.37 0.00 0.00 0.00 179.25 178.05 2tbd h GLN 85 N 0.00 0.62 0.00 0.00 5.75 -0.62 -2.94 115.11 117.92 2tbd h GLN 85 Ca 0.16 -0.67 0.00 0.00 -0.15 0.00 0.00 58.65 57.99 2tbd h GLN 85 Cb 1.27 0.19 0.00 0.00 1.07 0.00 0.00 27.48 30.01 2tbd h GLN 85 CO -0.00 1.27 0.00 0.87 -2.65 0.00 0.00 178.83 178.32 2tbd h LYS 86 N 0.25 0.00 -1.39 1.69 1.57 0.23 -2.58 116.57 116.34 2tbd h LYS 86 Ca -0.12 0.00 -0.44 0.00 -1.87 0.00 0.00 60.65 58.23 2tbd h LYS 86 Cb 1.59 0.00 -0.18 0.00 0.08 0.00 0.00 32.23 33.72 2tbd h LYS 86 CO 0.18 0.00 0.56 1.28 -0.57 0.00 0.00 179.45 180.90 2tbd n LEU 87 N -2.44 6.85 -0.62 2.94 4.77 -0.91 -4.15 117.00 123.43 2tbd n LEU 87 Ca 0.00 -3.63 0.06 0.00 -0.03 0.00 0.00 56.01 52.41 2tbd n LEU 87 Cb 0.17 -1.04 0.13 0.00 -2.33 0.00 0.00 43.42 40.35 2tbd n LEU 87 CO 0.18 1.32 0.34 0.00 -1.33 0.00 0.00 177.39 177.91 2tbd n THR 89 N -0.77 2.67 0.00 0.00 -2.24 -1.26 -4.16 114.28 108.52 2tbd n THR 89 Ca 0.14 -1.57 0.00 0.00 -2.27 0.00 0.00 64.05 60.34 2tbd n THR 89 Cb 0.77 -1.08 0.00 0.00 -2.10 0.00 0.00 70.33 67.91 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 -0.07 -0.87 -2.58 4.78 -1.74 -1.26 -5.15 117.46 110.56 2tbd n PHE 90 Ca 0.35 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 57.24 2tbd n PHE 90 Cb 0.80 0.43 0.00 0.00 1.52 0.00 0.00 39.48 42.23 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 -2.36 0.00 -4.00 5.98 7.64 -1.26 -5.16 113.62 114.46 2tbd n SER 91 Ca 0.00 0.00 -0.30 0.00 1.01 0.00 0.00 58.87 59.58 2tbd n SER 91 Cb 0.00 0.00 0.21 0.00 -1.01 0.00 0.00 64.21 63.41 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 -0.97 1.18 -0.29 1.43 -0.71 -1.26 -4.81 117.98 112.54 2tbd s PHE 92 Ca 0.00 0.37 -0.13 0.00 -1.04 0.00 0.00 56.93 56.13 2tbd s PHE 92 Cb 0.00 -3.90 0.11 0.00 -1.21 0.00 0.00 43.02 38.02 2tbd s PHE 92 CO 0.00 -3.10 0.68 -1.17 -1.34 0.00 0.00 175.22 170.29 2tbd s LEU 93 N -6.27 -1.04 -0.54 -1.99 2.96 -1.26 -4.50 118.68 106.04 2tbd s LEU 93 Ca 0.73 1.52 0.05 0.00 -0.22 0.00 0.00 54.13 56.21 2tbd s LEU 93 Cb -0.06 2.32 0.19 0.00 0.50 0.00 0.00 46.19 49.14 2tbd s LEU 93 CO 0.54 -0.22 0.46 -0.38 -1.32 0.00 0.00 176.35 175.43 2tbd n ILE 94 N 4.93 0.23 -3.28 6.68 5.41 -0.64 -5.03 119.36 127.66 2tbd n ILE 94 Ca -0.15 -4.20 -0.35 0.00 1.00 0.00 0.00 62.75 59.05 2tbd n ILE 94 Cb 0.53 -1.93 -0.06 0.00 -0.71 0.00 0.00 39.64 37.48 2tbd n ILE 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2tbd s LYS 96 N -2.06 0.56 1.23 0.00 1.02 -0.89 -4.93 119.74 114.67 2tbd s LYS 96 Ca 0.41 0.92 -0.17 0.00 0.02 0.00 0.00 55.97 57.15 2tbd s LYS 96 Cb -0.15 0.12 0.30 0.00 -0.52 0.00 0.00 37.83 37.58 2tbd s LYS 96 CO 0.20 -0.13 1.02 0.20 -0.92 0.00 0.00 175.35 175.71 2tbd s GLY 97 N 1.16 1.51 0.03 -3.33 0.00 -1.26 -1.45 107.32 103.98 2tbd s GLY 97 Ca -0.07 -0.54 -0.08 0.00 0.00 0.00 0.00 44.72 44.03 2tbd s GLY 97 CO -0.11 0.29 0.17 0.14 0.00 0.00 0.00 173.10 173.59 2tbd s VAL 98 N -2.58 0.11 -0.14 1.40 1.01 -1.05 -2.87 120.40 116.27 2tbd s VAL 98 Ca 0.68 -0.87 0.03 0.00 0.00 0.00 0.00 61.98 61.83 2tbd s VAL 98 Cb -0.18 -0.79 -0.11 0.00 0.00 0.00 0.00 36.38 35.30 2tbd s VAL 98 CO 0.60 -0.48 -0.10 0.59 0.00 0.00 0.00 175.10 175.72 2tbd n ASN 99 N 0.89 2.65 -4.13 3.32 3.02 -1.26 -4.65 115.26 115.10 2tbd n ASN 99 Ca -0.20 -0.06 -0.42 0.00 -0.03 0.00 0.00 54.58 53.87 2tbd n ASN 99 Cb 0.58 -0.01 -0.01 0.00 -0.61 0.00 0.00 39.78 39.73 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 -2.83 3.69 0.18 3.52 5.02 -1.26 -4.88 118.16 121.60 2tbd n LYS 100 Ca -0.25 -4.51 -0.07 0.00 -2.02 0.00 0.00 58.31 51.45 2tbd n LYS 100 Cb 0.81 -2.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.29 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 5.95 -0.45 -0.62 1.97 4.57 -1.89 -2.67 114.58 121.44 2tbd h GLU 101 Ca 0.19 0.03 0.08 0.00 -1.18 0.00 0.00 59.36 58.48 2tbd h GLU 101 Cb 0.75 0.10 -0.09 0.00 -0.16 0.00 0.00 28.75 29.36 2tbd h GLU 101 CO 1.10 -0.30 -0.28 0.98 -1.18 0.00 0.00 179.01 179.33 2tbd n TYR 102 N -3.45 -0.07 0.12 0.92 4.19 -1.26 -1.19 117.16 116.41 2tbd n TYR 102 Ca -0.06 0.76 -0.05 0.00 3.31 0.00 0.00 57.90 61.87 2tbd n TYR 102 Cb 0.19 -0.68 -0.02 0.00 0.49 0.00 0.00 39.34 39.31 2tbd n TYR 102 CO 0.00 0.00 0.00 -0.07 0.91 0.00 0.00 176.86 177.70 2tbd h LEU 103 N 0.00 -0.29 -1.00 2.98 3.38 -1.97 -2.43 115.31 115.98 2tbd h LEU 103 Ca 0.18 0.01 0.39 0.00 0.09 0.00 0.00 57.88 58.55 2tbd h LEU 103 Cb 0.33 0.08 -0.15 0.00 0.09 0.00 0.00 40.66 41.02 2tbd h LEU 103 CO -0.60 -0.19 0.58 0.80 0.09 0.00 0.00 178.44 179.11 2tbd n MET 104 N -2.93 -0.05 0.05 1.13 1.56 -0.34 0.11 117.12 116.66 2tbd n MET 104 Ca -0.04 1.19 -0.13 0.00 -0.27 0.00 0.00 57.70 58.45 2tbd n MET 104 Cb 0.13 -2.20 -0.08 0.00 2.15 0.00 0.00 33.22 33.22 2tbd n MET 104 CO 0.00 0.00 0.00 -0.92 -0.73 0.00 0.00 175.97 174.32 2tbd h TYR 105 N 0.00 -0.08 0.67 1.12 3.20 -0.93 0.15 116.97 121.10 2tbd h TYR 105 Ca 0.76 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 62.60 2tbd h TYR 105 Cb 2.16 0.03 -0.00 0.00 1.54 0.00 0.00 36.73 40.46 2tbd h TYR 105 CO -0.01 0.16 -0.41 1.03 -1.64 0.00 0.00 178.16 177.29 2tbd h SER 106 N -0.33 -1.04 0.00 -2.11 0.87 0.12 0.65 113.55 111.71 2tbd h SER 106 Ca -0.01 0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.61 2tbd h SER 106 Cb 0.29 0.30 0.00 0.00 -0.44 0.00 0.00 62.40 62.55 2tbd h SER 106 CO 0.02 -0.64 0.09 0.00 -0.53 0.00 0.00 176.83 175.76 2tbd h ALA 107 N -0.79 1.07 0.07 6.23 0.00 -1.23 0.72 119.26 125.33 2tbd h ALA 107 Ca -0.09 0.00 -0.27 0.00 0.00 0.00 0.00 54.91 54.56 2tbd h ALA 107 Cb 0.83 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 2tbd h ALA 107 CO 0.09 -0.07 -1.34 -0.07 0.00 0.00 0.00 179.25 177.86 2tbd h LEU 108 N 0.00 0.22 -0.03 0.00 3.38 0.15 -3.29 115.31 115.73 2tbd h LEU 108 Ca 0.00 -0.28 -0.09 0.00 0.09 0.00 0.00 57.88 57.60 2tbd h LEU 108 Cb 0.18 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 2tbd h LEU 108 CO 0.00 1.23 -0.43 0.71 0.09 0.00 0.00 178.44 180.03 2tbd h THR 109 N 0.04 0.75 -3.12 0.22 1.35 0.88 -3.35 112.91 109.67 2tbd h THR 109 Ca -0.16 -2.04 -0.59 0.00 -0.55 0.00 0.00 66.41 63.07 2tbd h THR 109 Cb 1.93 2.36 -0.05 0.00 -1.73 0.00 0.00 68.15 70.65 2tbd h THR 109 CO 0.15 0.42 -0.15 -0.13 -0.25 0.00 0.00 175.52 175.56 2tbd s ARG 110 N -3.01 4.05 0.98 4.72 0.52 -0.80 -4.76 118.95 120.65 2tbd s ARG 110 Ca 0.04 0.51 -0.16 0.00 -0.52 0.00 0.00 55.73 55.60 2tbd s ARG 110 Cb 0.07 -3.25 -0.09 0.00 0.52 0.00 0.00 34.95 32.20 2tbd s ARG 110 CO 0.73 0.60 -0.41 -0.25 0.02 0.00 0.00 175.30 176.00 2tbd n ASP 111 N 2.04 -4.63 -0.26 0.23 8.00 -1.26 -2.29 116.55 118.38 2tbd n ASP 111 Ca -0.12 0.22 0.00 0.00 0.71 0.00 0.00 54.79 55.61 2tbd n ASP 111 Cb 0.52 -0.91 0.01 0.00 -0.02 0.00 0.00 41.12 40.72 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 1.04 1.05 -3.26 -0.24 -0.04 -1.26 -4.99 135.00 127.30 2tbd n PRO 112 Ca 0.01 -0.06 -0.40 0.00 -0.04 0.00 0.00 63.50 63.02 2tbd n PRO 112 Cb 0.56 -1.25 -0.07 0.00 -0.04 0.00 0.00 33.50 32.69 2tbd n PRO 112 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2tbd s PHE 113 N -1.53 3.31 0.32 0.54 0.08 -0.97 -4.71 117.98 115.02 2tbd s PHE 113 Ca 0.01 0.67 -0.01 0.00 0.12 0.00 0.00 56.93 57.72 2tbd s PHE 113 Cb 0.01 -2.69 0.07 0.00 -0.57 0.00 0.00 43.02 39.84 2tbd s PHE 113 CO 0.00 -0.21 0.43 0.43 -0.10 0.00 0.00 175.22 175.78 2tbd n SER 114 N 5.23 0.47 -4.21 1.36 7.64 -0.78 -3.97 113.62 119.35 2tbd n SER 114 Ca -0.05 -1.42 -0.22 0.00 1.01 0.00 0.00 58.87 58.19 2tbd n SER 114 Cb 0.50 -0.29 -0.13 0.00 -1.01 0.00 0.00 64.21 63.28 2tbd n SER 114 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2tbd s VAL 115 N -1.31 1.40 0.09 0.44 1.01 -1.26 -2.50 120.40 118.27 2tbd s VAL 115 Ca 0.28 -1.26 0.00 0.00 0.00 0.00 0.00 61.98 61.00 2tbd s VAL 115 Cb -0.01 -1.27 0.00 0.00 0.00 0.00 0.00 36.38 35.09 2tbd s VAL 115 CO 0.19 -0.02 0.00 -0.38 0.00 0.00 0.00 175.10 174.89 2tbd n ILE 116 N 1.53 1.03 -3.89 2.22 5.41 0.05 -4.82 119.36 120.89 2tbd n ILE 116 Ca -0.19 0.34 -0.11 0.00 1.00 0.00 0.00 62.75 63.79 2tbd n ILE 116 Cb 0.54 -1.48 0.01 0.00 -0.71 0.00 0.00 39.64 38.00 2tbd n ILE 116 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 2tbd n GLU 117 N -3.35 1.01 -3.84 0.38 1.02 -0.98 -4.97 120.64 109.91 2tbd n GLU 117 Ca 0.00 -2.47 0.01 0.00 -0.02 0.00 0.00 57.16 54.68 2tbd n GLU 117 Cb 0.00 2.81 0.01 0.00 -0.02 0.00 0.00 31.44 34.23 2tbd n GLU 117 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 2tbd s GLU 118 N -2.34 0.62 -0.06 3.49 -1.05 -1.26 -1.36 118.70 116.75 2tbd s GLU 118 Ca 0.21 -0.39 0.15 0.00 -0.15 0.00 0.00 54.97 54.79 2tbd s GLU 118 Cb -0.04 0.19 -0.23 0.00 -0.44 0.00 0.00 34.13 33.61 2tbd s GLU 118 CO 0.15 -0.29 0.26 -1.13 0.95 0.00 0.00 175.26 175.20 2tbd n SER 119 N -0.89 1.31 -4.86 0.83 3.41 -1.12 -4.95 113.62 107.36 2tbd n SER 119 Ca -0.02 0.00 -0.31 0.00 -0.26 0.00 0.00 58.87 58.28 2tbd n SER 119 Cb 0.60 1.47 -0.01 0.00 -0.26 0.00 0.00 64.21 66.01 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 -4.43 3.39 0.14 1.04 1.43 -1.26 -4.97 118.68 114.02 2tbd s LEU 120 Ca -0.06 1.49 0.03 0.00 -1.03 0.00 0.00 54.13 54.56 2tbd s LEU 120 Cb 0.08 -4.49 -0.10 0.00 0.03 0.00 0.00 46.19 41.71 2tbd s LEU 120 CO 0.65 -0.78 1.31 1.55 0.23 0.00 0.00 176.35 179.31 2tbd h PRO 121 N 0.17 0.14 0.00 1.29 0.13 -2.00 -3.36 132.00 128.37 2tbd h PRO 121 Ca -0.45 -0.19 0.00 0.00 -0.87 0.00 0.00 66.00 64.49 2tbd h PRO 121 Cb 1.19 0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.38 2tbd h PRO 121 CO 0.62 1.00 -0.03 0.41 -0.23 0.00 0.00 178.00 179.77 2tbd n GLY 122 N 1.11 -0.84 0.39 1.56 0.00 -1.26 -5.13 105.19 101.02 2tbd n GLY 122 Ca -0.03 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.18 -2.06 3.53 -0.02 0.00 -1.26 -4.99 105.19 100.21 2tbd n GLY 123 Ca 0.00 -2.03 -0.30 0.00 0.00 0.00 0.00 46.02 43.69 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 0.31 0.00 0.99 1.43 -1.26 -4.84 118.68 115.31 2tbd s LEU 124 Ca 0.00 0.67 0.00 0.00 -1.03 0.00 0.00 54.13 53.77 2tbd s LEU 124 Cb 0.00 -2.33 0.00 0.00 0.03 0.00 0.00 46.19 43.89 2tbd s LEU 124 CO 0.00 -4.41 0.00 1.17 0.23 0.00 0.00 176.35 173.34 2tbd n LYS 125 N -4.96 -2.61 0.05 1.70 3.00 -1.26 -4.96 118.16 109.12 2tbd n LYS 125 Ca 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.44 2tbd n LYS 125 Cb 0.60 0.00 0.31 0.00 0.00 0.00 0.00 35.03 35.93 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 0.39 0.00 1.64 4.57 -1.97 -0.89 114.58 118.32 2tbd h GLU 126 Ca 0.00 -0.10 0.00 0.00 -1.18 0.00 0.00 59.36 58.08 2tbd h GLU 126 Cb 0.00 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 28.54 2tbd h GLU 126 CO 0.00 0.52 0.00 -2.39 -1.18 0.00 0.00 179.01 175.96 2tbd n HIS 127 N -4.23 0.00 -0.01 0.92 1.44 -1.26 -2.64 115.22 109.44 2tbd n HIS 127 Ca 0.00 0.00 -0.01 0.00 -2.01 0.00 0.00 57.72 55.70 2tbd n HIS 127 Cb 0.30 0.00 -0.02 0.00 0.12 0.00 0.00 29.99 30.40 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 -0.78 4.51 -0.02 4.39 8.00 -0.52 -4.75 116.55 127.38 2tbd n ASP 128 Ca 0.13 -0.00 -0.01 0.00 0.71 0.00 0.00 54.79 55.62 2tbd n ASP 128 Cb 0.06 0.54 -0.00 0.00 -0.02 0.00 0.00 41.12 41.69 2tbd n ASP 128 CO 0.00 0.00 0.00 -0.26 -0.39 0.00 0.00 177.20 176.55 2tbd h PHE 129 N 0.00 0.00 -1.17 1.24 0.04 -1.22 -3.47 116.94 112.36 2tbd h PHE 129 Ca -0.05 0.00 -0.10 0.00 2.80 0.00 0.00 57.97 60.62 2tbd h PHE 129 Cb 1.12 0.00 -0.21 0.00 2.20 0.00 0.00 35.95 39.05 2tbd h PHE 129 CO 0.00 0.00 -0.48 -0.80 -0.60 0.00 0.00 178.31 176.43 2tbd s ASN 130 N -4.19 -1.08 -1.11 2.17 -0.87 -1.13 -5.08 114.94 103.66 2tbd s ASN 130 Ca -0.03 -0.76 -0.22 0.00 -1.57 0.00 0.00 52.86 50.29 2tbd s ASN 130 Cb 0.00 1.74 0.03 0.00 -0.02 0.00 0.00 41.25 42.99 2tbd s ASN 130 CO 0.04 -0.21 1.67 -2.16 -2.57 0.00 0.00 177.10 173.87 2tbd s PRO 131 N 1.94 3.43 -0.29 -0.60 0.04 -1.08 -4.87 135.00 133.57 2tbd s PRO 131 Ca 0.15 -1.28 -0.07 0.00 0.04 0.00 0.00 61.00 59.84 2tbd s PRO 131 Cb -0.07 -5.36 0.14 0.00 0.04 0.00 0.00 34.50 29.25 2tbd s PRO 131 CO -0.10 -2.61 0.61 -1.83 0.04 0.00 0.00 177.00 173.11 2tbd s GLU 132 N 5.22 0.55 -0.00 4.56 -1.05 -1.26 -5.08 118.70 121.64 2tbd s GLU 132 Ca 0.55 1.29 -0.38 0.00 -0.15 0.00 0.00 54.97 56.27 2tbd s GLU 132 Cb 0.00 0.72 -0.17 0.00 -0.44 0.00 0.00 34.13 34.24 2tbd s GLU 132 CO -0.00 -0.32 1.34 0.43 0.95 0.00 0.00 175.26 177.66 2tbd n SER 133 N 5.44 1.36 0.00 0.83 7.64 -1.26 -5.23 113.62 122.40 2tbd n SER 133 Ca -0.09 1.13 0.00 0.00 1.01 0.00 0.00 58.87 60.92 2tbd n SER 133 Cb 0.50 -1.11 0.00 0.00 -1.01 0.00 0.00 64.21 62.58 2tbd n SER 133 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79