#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 5.61 -1.68 1.61 7.64 -1.26 -4.91 113.62 120.62 2tbd n SER 2 Ca 0.00 -3.76 -0.00 0.00 1.01 0.00 0.00 58.87 56.12 2tbd n SER 2 Cb 0.00 -0.59 0.00 0.00 -1.01 0.00 0.00 64.21 62.61 2tbd n SER 2 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 2tbd n LYS 3 N -0.61 -0.21 -0.87 1.43 3.00 -1.26 -4.99 118.16 114.65 2tbd n LYS 3 Ca 0.46 0.65 -0.36 0.00 -0.00 0.00 0.00 58.31 59.06 2tbd n LYS 3 Cb 0.68 -2.02 0.09 0.00 0.00 0.00 0.00 35.03 33.79 2tbd n LYS 3 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.40 178.95 2tbd n VAL 4 N -0.84 0.00 -1.64 3.15 3.14 -1.26 -4.65 118.33 116.23 2tbd n VAL 4 Ca 0.01 -0.13 -0.43 0.00 -2.96 0.00 0.00 64.34 60.82 2tbd n VAL 4 Cb 0.32 -0.25 -0.03 0.00 -1.06 0.00 0.00 33.84 32.82 2tbd n VAL 4 CO 0.00 0.00 0.00 1.21 -6.46 0.00 0.00 176.83 171.58 2tbd n GLU 5 N 0.63 2.51 -1.15 1.45 4.07 -1.26 -4.93 120.64 121.96 2tbd n GLU 5 Ca -0.01 0.87 -0.31 0.00 -0.06 0.00 0.00 57.16 57.65 2tbd n GLU 5 Cb 0.70 -3.02 0.11 0.00 -0.06 0.00 0.00 31.44 29.17 2tbd n GLU 5 CO 0.00 0.00 0.00 -0.51 -0.06 0.00 0.00 177.13 176.56 2tbd s ASP 6 N 5.53 4.10 0.01 4.31 1.11 -1.26 -4.96 116.67 125.51 2tbd s ASP 6 Ca 0.93 1.86 -0.30 0.00 0.18 0.00 0.00 52.55 55.22 2tbd s ASP 6 Cb -0.45 -2.50 -0.04 0.00 1.07 0.00 0.00 42.92 41.00 2tbd s ASP 6 CO 0.42 -2.30 1.10 -2.16 1.18 0.00 0.00 175.17 173.41 2tbd s PRO 7 N -4.86 4.47 0.00 8.23 0.04 -1.26 -4.93 135.00 136.70 2tbd s PRO 7 Ca 0.62 1.60 0.26 0.00 0.04 0.00 0.00 61.00 63.52 2tbd s PRO 7 Cb -0.18 -3.43 0.62 0.00 0.04 0.00 0.00 34.50 31.55 2tbd s PRO 7 CO 0.57 -0.20 1.48 0.36 0.04 0.00 0.00 177.00 179.25 2tbd n LYS 8 N 4.13 1.19 -3.65 4.56 0.00 -1.26 -4.92 118.16 118.22 2tbd n LYS 8 Ca 0.08 -0.80 0.00 0.00 -0.00 0.00 0.00 58.31 57.59 2tbd n LYS 8 Cb 0.48 -1.48 0.00 0.00 -0.00 0.00 0.00 35.03 34.03 2tbd n LYS 8 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 2tbd n ASP 9 N -0.21 0.00 -4.40 -5.58 8.00 -1.26 -5.05 116.55 108.05 2tbd n ASP 9 Ca 0.13 0.00 -0.32 0.00 0.71 0.00 0.00 54.79 55.31 2tbd n ASP 9 Cb 0.39 0.00 0.17 0.00 -0.02 0.00 0.00 41.12 41.66 2tbd n ASP 9 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 2tbd n PHE 10 N 0.09 -1.15 -1.82 1.24 3.01 -1.26 -4.96 117.46 112.62 2tbd n PHE 10 Ca 0.00 0.16 -0.31 0.00 1.01 0.00 0.00 57.45 58.31 2tbd n PHE 10 Cb 0.00 -1.72 0.02 0.00 -0.01 0.00 0.00 39.48 37.77 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 -3.80 3.33 0.43 -1.08 0.04 -1.26 -4.92 135.00 127.75 2tbd s PRO 11 Ca 0.59 0.90 0.19 0.00 0.04 0.00 0.00 61.00 62.73 2tbd s PRO 11 Cb -0.19 -2.04 0.99 0.00 0.04 0.00 0.00 34.50 33.30 2tbd s PRO 11 CO 0.66 -0.78 1.91 0.66 0.04 0.00 0.00 177.00 179.48 2tbd h SER 12 N -0.28 0.00 0.25 6.66 4.64 -1.98 -1.51 113.55 121.33 2tbd h SER 12 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 2tbd h SER 12 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 2tbd h SER 12 CO 0.59 0.26 0.00 1.21 -0.87 0.00 0.00 176.83 178.03 2tbd n GLU 13 N -3.85 0.26 0.00 4.77 2.13 -1.26 -2.31 120.64 120.39 2tbd n GLU 13 Ca -0.02 0.12 0.00 0.00 0.66 0.00 0.00 57.16 57.92 2tbd n GLU 13 Cb 0.35 -1.50 0.00 0.00 0.27 0.00 0.00 31.44 30.56 2tbd n GLU 13 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 2tbd n LEU 14 N -1.24 0.65 -0.57 4.31 4.32 -0.61 -4.62 117.00 119.23 2tbd n LEU 14 Ca 0.08 -0.73 0.11 0.00 -0.02 0.00 0.00 56.01 55.45 2tbd n LEU 14 Cb 0.11 0.00 0.40 0.00 -1.62 0.00 0.00 43.42 42.31 2tbd n LEU 14 CO 0.12 0.16 0.79 0.18 -1.22 0.00 0.00 177.39 177.42 2tbd n LEU 15 N -0.16 1.74 -0.23 2.23 4.77 -0.93 -3.73 117.00 120.69 2tbd n LEU 15 Ca 0.00 -0.69 0.13 0.00 -0.03 0.00 0.00 56.01 55.41 2tbd n LEU 15 Cb 0.04 -0.09 0.38 0.00 -2.33 0.00 0.00 43.42 41.42 2tbd n LEU 15 CO 0.00 0.35 0.65 -1.20 -1.33 0.00 0.00 177.39 175.85 2tbd n SER 16 N 0.37 0.98 -2.71 -1.43 7.64 -1.25 -4.39 113.62 112.82 2tbd n SER 16 Ca 0.17 -0.85 -0.08 0.00 1.01 0.00 0.00 58.87 59.12 2tbd n SER 16 Cb 0.35 0.14 0.11 0.00 -1.01 0.00 0.00 64.21 63.80 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 -0.70 -2.63 -4.20 1.43 -1.74 -1.24 -5.13 117.46 103.24 2tbd n PHE 17 Ca 0.12 -2.00 -0.13 0.00 -0.56 0.00 0.00 57.45 54.88 2tbd n PHE 17 Cb 0.35 1.62 -0.10 0.00 1.52 0.00 0.00 39.48 42.86 2tbd n PHE 17 CO 0.00 0.00 0.00 -1.17 -0.56 0.00 0.00 176.76 175.03 2tbd s LEU 18 N -2.76 2.48 -0.26 5.98 2.96 -1.25 -4.78 118.68 121.05 2tbd s LEU 18 Ca 0.22 -0.94 -0.29 0.00 -0.22 0.00 0.00 54.13 52.90 2tbd s LEU 18 Cb 0.35 -0.25 0.01 0.00 0.50 0.00 0.00 46.19 46.80 2tbd s LEU 18 CO -0.07 -0.35 1.08 -0.55 -1.32 0.00 0.00 176.35 175.14 2tbd s SER 19 N -2.87 7.01 -0.69 3.68 0.15 -0.73 -4.87 113.70 115.39 2tbd s SER 19 Ca 0.11 1.27 -0.06 0.00 0.70 0.00 0.00 55.95 57.97 2tbd s SER 19 Cb 0.01 -2.54 0.18 0.00 -1.71 0.00 0.00 66.02 61.96 2tbd s SER 19 CO -0.01 -0.77 0.54 -1.00 1.20 0.00 0.00 173.24 173.19 2tbd s HIS 20 N 3.44 3.51 0.00 3.44 0.09 -1.26 -4.07 115.29 120.43 2tbd s HIS 20 Ca 0.46 -2.52 0.00 0.00 -0.00 0.00 0.00 55.06 53.00 2tbd s HIS 20 Cb -0.14 -3.37 0.00 0.00 -0.00 0.00 0.00 32.58 29.06 2tbd s HIS 20 CO 0.11 -0.88 0.00 0.00 -0.00 0.00 0.00 174.74 173.97 2tbd n ALA 21 N 3.59 0.00 0.27 -1.40 0.00 -1.26 -5.02 120.51 116.70 2tbd n ALA 21 Ca 0.10 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.66 2tbd n ALA 21 Cb 0.40 0.00 0.16 0.00 0.00 0.00 0.00 19.45 20.02 2tbd n ALA 21 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2tbd h VAL 22 N 0.00 0.00 0.00 0.00 2.07 -1.94 -3.43 116.25 112.95 2tbd h VAL 22 Ca 0.00 -0.89 0.00 0.00 0.82 0.00 0.00 66.70 66.63 2tbd h VAL 22 Cb 0.00 1.75 0.00 0.00 -1.52 0.00 0.00 31.29 31.52 2tbd h VAL 22 CO 0.00 0.00 0.00 0.49 0.02 0.00 0.00 177.57 178.08 2tbd n PHE 23 N -2.82 0.00 -3.08 1.57 3.01 -1.26 -2.41 117.46 112.47 2tbd n PHE 23 Ca 0.03 0.00 0.06 0.00 1.01 0.00 0.00 57.45 58.55 2tbd n PHE 23 Cb 0.51 0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 39.97 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 -4.94 0.00 4.37 2.88 -1.26 -4.64 113.62 109.62 2tbd n SER 24 Ca 0.00 0.48 0.00 0.00 -1.33 0.00 0.00 58.87 58.02 2tbd n SER 24 Cb 0.00 -1.34 0.00 0.00 -0.75 0.00 0.00 64.21 62.12 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 -2.41 4.56 -4.83 -3.46 2.85 -1.26 -5.04 115.26 105.67 2tbd n ASN 25 Ca 0.00 0.00 -0.32 0.00 -0.11 0.00 0.00 54.58 54.15 2tbd n ASN 25 Cb 0.20 0.63 -0.01 0.00 1.24 0.00 0.00 39.78 41.84 2tbd n ASN 25 CO 0.00 0.00 0.00 -0.13 -2.11 0.00 0.00 177.26 175.02 2tbd s ARG 26 N -1.88 3.61 -0.15 1.20 0.52 -1.26 -5.05 118.95 115.94 2tbd s ARG 26 Ca 0.00 1.03 0.01 0.00 -0.52 0.00 0.00 55.73 56.25 2tbd s ARG 26 Cb 0.00 -2.08 0.00 0.00 0.52 0.00 0.00 34.95 33.39 2tbd s ARG 26 CO 0.00 -0.56 -0.17 0.95 0.02 0.00 0.00 175.30 175.54 2tbd s THR 27 N -2.63 2.49 -0.03 0.02 -4.23 -1.26 -4.82 115.64 105.18 2tbd s THR 27 Ca 0.60 -0.83 0.07 0.00 -1.18 0.00 0.00 61.69 60.35 2tbd s THR 27 Cb -0.13 -2.03 -0.02 0.00 1.34 0.00 0.00 72.50 71.66 2tbd s THR 27 CO 0.37 0.53 -0.25 -1.48 -0.54 0.00 0.00 174.62 173.25 2tbd s LEU 28 N 0.79 2.05 -0.13 4.79 2.34 -1.01 -4.74 118.68 122.76 2tbd s LEU 28 Ca -0.06 -0.46 0.12 0.00 0.06 0.00 0.00 54.13 53.78 2tbd s LEU 28 Cb -0.15 -1.29 0.57 0.00 -0.56 0.00 0.00 46.19 44.75 2tbd s LEU 28 CO -0.00 0.29 1.41 0.00 -1.06 0.00 0.00 176.35 176.99 2tbd n ALA 29 N 2.58 3.27 -4.03 1.48 0.00 -1.26 -3.48 120.51 119.06 2tbd n ALA 29 Ca -0.16 -1.29 -0.31 0.00 0.00 0.00 0.00 53.44 51.67 2tbd n ALA 29 Cb 0.52 -1.06 -0.16 0.00 0.00 0.00 0.00 19.45 18.74 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 1.32 1.57 -0.29 0.00 0.40 -1.11 -2.56 117.98 117.31 2tbd s PHE 31 Ca -0.02 -0.34 -0.06 0.00 -0.60 0.00 0.00 56.93 55.92 2tbd s PHE 31 Cb -0.16 -0.96 0.01 0.00 0.51 0.00 0.00 43.02 42.41 2tbd s PHE 31 CO -0.08 0.03 0.06 0.00 0.70 0.00 0.00 175.22 175.93 2tbd s ALA 32 N -0.66 3.02 0.16 5.36 0.00 -0.07 -2.16 121.76 127.42 2tbd s ALA 32 Ca 0.06 -1.44 -0.06 0.00 0.00 0.00 0.00 51.96 50.52 2tbd s ALA 32 Cb -0.08 -2.08 -0.06 0.00 0.00 0.00 0.00 23.12 20.90 2tbd s ALA 32 CO 0.01 -0.89 0.43 0.42 0.00 0.00 0.00 175.76 175.73 2tbd s ILE 33 N 1.48 5.09 -0.30 0.00 1.01 -0.77 -2.01 121.20 125.71 2tbd s ILE 33 Ca 0.02 0.19 -0.01 0.00 0.00 0.00 0.00 60.65 60.85 2tbd s ILE 33 Cb -0.17 -3.62 0.10 0.00 0.01 0.00 0.00 42.46 38.78 2tbd s ILE 33 CO 0.02 0.03 0.10 -0.47 0.00 0.00 0.00 174.94 174.61 2tbd s TYR 34 N -1.68 1.41 0.18 3.97 5.04 -0.41 -0.79 117.35 125.07 2tbd s TYR 34 Ca 0.42 -1.54 -0.06 0.00 -2.44 0.00 0.00 57.07 53.45 2tbd s TYR 34 Cb -0.12 -1.54 -0.02 0.00 0.35 0.00 0.00 41.96 40.63 2tbd s TYR 34 CO 0.23 -0.86 0.23 0.95 -1.34 0.00 0.00 175.55 174.76 2tbd s THR 35 N 1.72 0.05 0.90 4.34 -4.23 -0.95 -1.70 115.64 115.76 2tbd s THR 35 Ca 0.09 -1.66 -0.15 0.00 -1.18 0.00 0.00 61.69 58.80 2tbd s THR 35 Cb -0.17 -2.11 -0.03 0.00 1.34 0.00 0.00 72.50 71.54 2tbd s THR 35 CO -0.27 -0.21 0.15 0.35 -0.54 0.00 0.00 174.62 174.09 2tbd n THR 36 N -0.23 0.39 -0.22 3.99 -2.24 -1.26 -2.28 114.28 112.43 2tbd n THR 36 Ca -0.04 -0.31 0.02 0.00 -2.27 0.00 0.00 64.05 61.45 2tbd n THR 36 Cb 0.64 -0.49 0.14 0.00 -2.10 0.00 0.00 70.33 68.51 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 -1.13 0.28 -0.86 -0.78 2.10 -1.88 0.13 116.57 114.43 2tbd h LYS 37 Ca -0.44 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.20 2tbd h LYS 37 Cb 1.31 -0.06 -0.04 0.00 -0.90 0.00 0.00 32.23 32.53 2tbd h LYS 37 CO 0.34 0.19 0.55 1.49 -2.00 0.00 0.00 179.45 180.01 2tbd h GLU 38 N 0.29 1.15 0.33 0.07 4.57 -1.99 -1.80 114.58 117.20 2tbd h GLU 38 Ca 0.35 -0.08 -0.02 0.00 -1.18 0.00 0.00 59.36 58.43 2tbd h GLU 38 Cb 0.54 -0.25 0.00 0.00 -0.16 0.00 0.00 28.75 28.89 2tbd h GLU 38 CO -0.43 0.78 -0.16 0.87 -1.18 0.00 0.00 179.01 178.89 2tbd h LYS 39 N 1.17 -0.43 -0.54 1.92 1.79 -1.27 -1.53 116.57 117.68 2tbd h LYS 39 Ca 0.31 0.03 0.11 0.00 -2.18 0.00 0.00 60.65 58.92 2tbd h LYS 39 Cb -0.10 0.10 -0.11 0.00 -1.58 0.00 0.00 32.23 30.54 2tbd h LYS 39 CO -0.06 -0.29 -0.21 0.00 -1.08 0.00 0.00 179.45 177.81 2tbd h ALA 40 N -1.79 0.21 -0.99 3.86 0.00 -1.43 0.27 119.26 119.39 2tbd h ALA 40 Ca -0.05 0.19 0.21 0.00 0.00 0.00 0.00 54.91 55.27 2tbd h ALA 40 Cb 0.34 0.54 -0.09 0.00 0.00 0.00 0.00 17.79 18.58 2tbd h ALA 40 CO 0.08 -0.52 0.62 0.00 0.00 0.00 0.00 179.25 179.42 2tbd h ALA 41 N 1.33 1.92 -0.02 0.00 0.00 -1.27 0.48 119.26 121.70 2tbd h ALA 41 Ca 0.25 0.06 -0.15 0.00 0.00 0.00 0.00 54.91 55.07 2tbd h ALA 41 Cb 0.47 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 2tbd h ALA 41 CO -0.60 -0.29 -0.69 -0.07 0.00 0.00 0.00 179.25 177.61 2tbd h LEU 42 N 0.59 0.11 -0.57 0.00 3.38 0.55 -2.97 115.31 116.41 2tbd h LEU 42 Ca 0.56 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.45 2tbd h LEU 42 Cb 1.10 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.82 2tbd h LEU 42 CO -0.32 0.76 -0.21 0.18 0.09 0.00 0.00 178.44 178.95 2tbd n LEU 43 N -3.76 1.10 0.04 1.67 4.77 0.89 -3.26 117.00 118.45 2tbd n LEU 43 Ca -0.02 -0.30 -0.04 0.00 -0.03 0.00 0.00 56.01 55.63 2tbd n LEU 43 Cb 0.67 -0.10 -0.02 0.00 -2.33 0.00 0.00 43.42 41.64 2tbd n LEU 43 CO 0.44 0.20 0.10 0.22 -1.33 0.00 0.00 177.39 177.02 2tbd h TYR 44 N 1.40 -0.20 0.00 -1.77 5.03 -0.07 -1.23 116.97 120.13 2tbd h TYR 44 Ca 0.00 -0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.31 2tbd h TYR 44 Cb 0.50 0.07 0.00 0.00 1.55 0.00 0.00 36.73 38.85 2tbd h TYR 44 CO 0.00 -0.11 0.00 0.87 -1.32 0.00 0.00 178.16 177.60 2tbd h LYS 45 N -1.05 0.00 0.00 1.82 1.57 -1.73 -2.12 116.57 115.05 2tbd h LYS 45 Ca -0.02 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 2tbd h LYS 45 Cb 0.19 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.49 2tbd h LYS 45 CO 0.04 0.00 -0.17 -0.22 -0.57 0.00 0.00 179.45 178.52 2tbd h LYS 46 N 0.00 0.00 0.00 3.15 3.64 -1.63 -3.33 116.57 118.40 2tbd h LYS 46 Ca 0.00 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 2tbd h LYS 46 Cb 0.59 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.41 2tbd h LYS 46 CO 0.00 0.25 -0.04 0.82 -2.27 0.00 0.00 179.45 178.21 2tbd h ILE 47 N -1.00 0.45 0.00 2.00 1.08 -1.28 -1.66 117.51 117.10 2tbd h ILE 47 Ca -0.02 -0.21 0.00 0.00 -0.39 0.00 0.00 64.86 64.24 2tbd h ILE 47 Cb 0.36 1.14 0.00 0.00 -3.07 0.00 0.00 36.82 35.25 2tbd h ILE 47 CO -0.01 0.04 0.00 0.23 -0.69 0.00 0.00 178.15 177.72 2tbd n MET 48 N -3.64 0.02 -0.00 2.37 2.81 -0.80 -2.07 117.12 115.81 2tbd n MET 48 Ca -0.02 0.37 -0.00 0.00 -1.81 0.00 0.00 57.70 56.23 2tbd n MET 48 Cb 0.14 -1.50 -0.00 0.00 -0.71 0.00 0.00 33.22 31.15 2tbd n MET 48 CO 0.00 0.00 0.00 -1.91 1.51 0.00 0.00 175.97 175.57 2tbd n GLU 49 N -1.43 0.01 0.00 0.03 2.13 -0.64 -3.67 120.64 117.08 2tbd n GLU 49 Ca 0.01 0.00 0.10 0.00 0.66 0.00 0.00 57.16 57.94 2tbd n GLU 49 Cb 0.04 -0.98 0.52 0.00 0.27 0.00 0.00 31.44 31.29 2tbd n GLU 49 CO 0.00 0.00 0.00 0.36 -0.41 0.00 0.00 177.13 177.08 2tbd n LYS 50 N -2.55 0.22 0.00 5.31 0.00 -1.13 -3.76 118.16 116.25 2tbd n LYS 50 Ca -0.01 0.10 0.00 0.00 -0.00 0.00 0.00 58.31 58.40 2tbd n LYS 50 Cb 0.51 -1.50 0.00 0.00 -0.00 0.00 0.00 35.03 34.04 2tbd n LYS 50 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 2tbd n TYR 51 N -1.35 0.00 -4.28 5.58 4.02 -0.88 -5.01 117.16 115.25 2tbd n TYR 51 Ca 0.09 0.00 -0.33 0.00 -0.01 0.00 0.00 57.90 57.64 2tbd n TYR 51 Cb 0.19 0.02 -0.07 0.00 -0.02 0.00 0.00 39.34 39.47 2tbd n TYR 51 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 2tbd n SER 52 N 0.00 -0.64 -3.29 7.72 7.64 -1.22 -4.01 113.62 119.82 2tbd n SER 52 Ca 0.00 -1.17 -0.42 0.00 1.01 0.00 0.00 58.87 58.29 2tbd n SER 52 Cb 0.32 -2.10 -0.05 0.00 -1.01 0.00 0.00 64.21 61.37 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 -4.40 0.27 0.10 0.44 0.24 -1.25 -4.65 118.33 109.08 2tbd n VAL 53 Ca -0.16 -0.07 -0.05 0.00 -2.04 0.00 0.00 64.34 62.02 2tbd n VAL 53 Cb 0.61 0.00 0.08 0.00 -1.47 0.00 0.00 33.84 33.06 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 1.93 1.45 -2.26 3.34 2.02 -1.82 -3.42 112.91 114.15 2tbd h THR 54 Ca -0.34 -2.27 -0.28 0.00 0.77 0.00 0.00 66.41 64.29 2tbd h THR 54 Cb 1.05 2.21 -0.34 0.00 -1.74 0.00 0.00 68.15 69.33 2tbd h THR 54 CO 0.47 0.66 -0.60 0.12 0.37 0.00 0.00 175.52 176.54 2tbd s PHE 55 N -3.51 -0.46 -0.31 3.16 5.36 -1.26 -4.87 117.98 116.08 2tbd s PHE 55 Ca -0.03 0.24 0.02 0.00 -0.96 0.00 0.00 56.93 56.20 2tbd s PHE 55 Cb 0.11 -0.31 0.08 0.00 -0.34 0.00 0.00 43.02 42.57 2tbd s PHE 55 CO 0.80 -0.73 0.00 -1.50 -1.46 0.00 0.00 175.22 172.33 2tbd s ILE 56 N 2.39 2.42 0.18 3.12 2.07 -1.26 -2.17 121.20 127.95 2tbd s ILE 56 Ca 0.09 -1.96 0.05 0.00 -1.41 0.00 0.00 60.65 57.42 2tbd s ILE 56 Cb -0.15 -2.61 -0.05 0.00 0.13 0.00 0.00 42.46 39.79 2tbd s ILE 56 CO -0.19 -0.35 -0.09 -0.55 -1.91 0.00 0.00 174.94 171.84 2tbd s SER 57 N 1.10 1.98 0.02 4.50 0.15 -0.87 -2.82 113.70 117.76 2tbd s SER 57 Ca 0.02 -1.05 0.05 0.00 0.70 0.00 0.00 55.95 55.67 2tbd s SER 57 Cb -0.20 -0.04 -0.02 0.00 -1.71 0.00 0.00 66.02 64.06 2tbd s SER 57 CO -0.06 -0.33 -0.16 0.00 1.20 0.00 0.00 173.24 173.89 2tbd s ARG 58 N -3.75 1.18 0.34 5.44 1.70 -0.96 -0.48 118.95 122.42 2tbd s ARG 58 Ca 0.20 -0.71 0.07 0.00 -0.47 0.00 0.00 55.73 54.82 2tbd s ARG 58 Cb 0.02 -1.19 -0.03 0.00 -0.57 0.00 0.00 34.95 33.19 2tbd s ARG 58 CO 0.03 0.31 0.30 0.72 -1.08 0.00 0.00 175.30 175.59 2tbd n HIS 59 N 2.23 -0.86 -4.33 5.89 8.25 -0.33 -1.28 115.22 124.79 2tbd n HIS 59 Ca -0.16 -2.78 -0.25 0.00 -0.26 0.00 0.00 57.72 54.26 2tbd n HIS 59 Cb 0.54 0.32 -0.12 0.00 1.12 0.00 0.00 29.99 31.85 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 -3.33 2.81 0.00 0.41 -0.87 -1.05 -1.50 114.94 111.41 2tbd s ASN 60 Ca 0.39 -0.73 0.00 0.00 -1.57 0.00 0.00 52.86 50.95 2tbd s ASN 60 Cb 0.02 -0.17 0.00 0.00 -0.02 0.00 0.00 41.25 41.08 2tbd s ASN 60 CO 0.28 0.09 0.00 -1.54 -2.57 0.00 0.00 177.10 173.35 2tbd n SER 61 N 0.93 0.00 0.00 -1.22 3.41 -1.12 -1.25 113.62 114.37 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 0.54 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 -0.03 0.00 -1.19 7.33 4.02 -1.26 -4.81 117.16 121.22 2tbd n TYR 62 Ca 0.00 0.00 0.09 0.00 -0.01 0.00 0.00 57.90 57.98 2tbd n TYR 62 Cb 0.00 0.00 0.15 0.00 -0.02 0.00 0.00 39.34 39.47 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 0.00 2.19 -1.30 7.72 3.02 -1.26 -5.05 115.26 120.59 2tbd n ASN 63 Ca 0.00 -3.26 -0.02 0.00 -0.03 0.00 0.00 54.58 51.27 2tbd n ASN 63 Cb 0.00 -0.45 -0.00 0.00 -0.61 0.00 0.00 39.78 38.72 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 -1.36 -0.91 -4.30 3.10 8.25 -1.26 -4.84 115.22 113.90 2tbd n HIS 64 Ca 0.17 -0.34 -0.25 0.00 -0.26 0.00 0.00 57.72 57.04 2tbd n HIS 64 Cb 0.65 0.12 -0.13 0.00 1.12 0.00 0.00 29.99 31.75 2tbd n HIS 64 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 2tbd s ASN 65 N -1.34 2.66 -0.21 0.41 0.02 -0.96 -2.77 114.94 112.74 2tbd s ASN 65 Ca 0.04 -0.70 -0.07 0.00 -1.02 0.00 0.00 52.86 51.10 2tbd s ASN 65 Cb -0.00 -0.15 -0.04 0.00 0.02 0.00 0.00 41.25 41.08 2tbd s ASN 65 CO 0.03 0.08 0.07 -0.63 0.02 0.00 0.00 177.10 176.66 2tbd s ILE 66 N -1.16 4.57 -0.38 0.60 1.09 -0.56 -2.24 121.20 123.12 2tbd s ILE 66 Ca 0.08 -0.10 -0.05 0.00 -1.10 0.00 0.00 60.65 59.47 2tbd s ILE 66 Cb -0.10 -3.09 0.07 0.00 -1.06 0.00 0.00 42.46 38.28 2tbd s ILE 66 CO 0.05 0.40 0.16 -0.22 -0.10 0.00 0.00 174.94 175.22 2tbd s LEU 67 N 0.99 4.76 0.60 2.97 0.20 0.03 -1.19 118.68 127.03 2tbd s LEU 67 Ca 0.04 -1.53 -0.13 0.00 0.69 0.00 0.00 54.13 53.20 2tbd s LEU 67 Cb -0.14 -1.86 -0.04 0.00 -0.43 0.00 0.00 46.19 43.71 2tbd s LEU 67 CO 0.03 -0.44 1.02 -0.36 -0.29 0.00 0.00 176.35 176.31 2tbd s PHE 68 N 1.31 3.47 -0.30 5.38 0.08 0.37 -1.85 117.98 126.43 2tbd s PHE 68 Ca 0.02 1.37 -0.09 0.00 0.12 0.00 0.00 56.93 58.35 2tbd s PHE 68 Cb -0.22 -2.78 0.18 0.00 -0.57 0.00 0.00 43.02 39.63 2tbd s PHE 68 CO -0.00 -0.71 0.85 -0.59 -0.10 0.00 0.00 175.22 174.67 2tbd s PHE 69 N -2.96 -1.00 0.42 0.36 -0.71 -0.92 -2.04 117.98 111.13 2tbd s PHE 69 Ca 0.57 1.20 -0.05 0.00 -1.04 0.00 0.00 56.93 57.61 2tbd s PHE 69 Cb -0.11 0.40 0.09 0.00 -1.21 0.00 0.00 43.02 42.19 2tbd s PHE 69 CO 0.47 -0.53 0.57 1.28 -1.34 0.00 0.00 175.22 175.67 2tbd n LEU 70 N 5.38 0.00 -3.45 -1.99 4.32 -0.92 -2.74 117.00 117.59 2tbd n LEU 70 Ca -0.05 -0.82 -0.14 0.00 -0.02 0.00 0.00 56.01 54.98 2tbd n LEU 70 Cb 0.52 -0.42 -0.03 0.00 -1.62 0.00 0.00 43.42 41.88 2tbd n LEU 70 CO -0.04 -0.87 0.41 0.42 -1.22 0.00 0.00 177.39 176.09 2tbd s THR 71 N -1.98 0.00 0.00 -5.08 -4.23 0.35 -3.44 115.64 101.26 2tbd s THR 71 Ca 0.34 -0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.85 2tbd s THR 71 Cb -0.01 -1.00 0.00 0.00 1.34 0.00 0.00 72.50 72.83 2tbd s THR 71 CO 0.24 -0.00 0.04 -0.81 -0.54 0.00 0.00 174.62 173.54 2tbd n PRO 72 N -0.04 0.00 -1.75 3.99 -0.04 -1.26 -4.54 135.00 131.36 2tbd n PRO 72 Ca -0.18 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.06 2tbd n PRO 72 Cb 0.63 -0.41 -0.05 0.00 -0.04 0.00 0.00 33.50 33.63 2tbd n PRO 72 CO 0.00 0.00 0.00 -3.38 -0.04 0.00 0.00 175.50 172.08 2tbd s HIS 73 N -0.08 1.37 0.29 0.54 -3.43 -1.26 -4.87 115.29 107.85 2tbd s HIS 73 Ca 0.00 1.42 -0.20 0.00 -0.80 0.00 0.00 55.06 55.48 2tbd s HIS 73 Cb 0.00 -3.70 -0.14 0.00 -1.43 0.00 0.00 32.58 27.31 2tbd s HIS 73 CO 0.00 -1.83 0.21 2.89 -2.00 0.00 0.00 174.74 174.01 2tbd n ARG 74 N 8.89 0.00 -4.23 -0.38 1.85 -1.26 -4.93 116.66 116.59 2tbd n ARG 74 Ca 0.41 0.00 -0.13 0.00 -1.00 0.00 0.00 57.85 57.13 2tbd n ARG 74 Cb 0.47 -0.87 -0.10 0.00 -1.05 0.00 0.00 32.46 30.91 2tbd n ARG 74 CO 0.00 0.00 0.00 -1.01 -0.01 0.00 0.00 177.63 176.61 2tbd s HIS 75 N -1.24 1.20 0.25 2.89 0.09 -1.23 -4.90 115.29 112.35 2tbd s HIS 75 Ca 0.53 -1.16 -0.13 0.00 -0.00 0.00 0.00 55.06 54.30 2tbd s HIS 75 Cb -0.64 -0.67 -0.08 0.00 -0.00 0.00 0.00 32.58 31.19 2tbd s HIS 75 CO 0.52 -0.37 0.62 1.03 -0.00 0.00 0.00 174.74 176.54 2tbd s ARG 76 N -4.01 3.93 0.28 1.40 0.52 -1.26 -2.39 118.95 117.41 2tbd s ARG 76 Ca 0.29 0.48 0.18 0.00 -0.52 0.00 0.00 55.73 56.16 2tbd s ARG 76 Cb 0.07 -2.64 0.97 0.00 0.52 0.00 0.00 34.95 33.87 2tbd s ARG 76 CO 0.07 0.29 1.53 0.28 0.02 0.00 0.00 175.30 177.49 2tbd n VAL 77 N -0.01 1.11 0.00 3.52 0.31 -1.26 -1.20 118.33 120.80 2tbd n VAL 77 Ca 0.00 0.71 -0.18 0.00 -0.01 0.00 0.00 64.34 64.86 2tbd n VAL 77 Cb 0.52 -1.71 -0.09 0.00 -0.91 0.00 0.00 33.84 31.65 2tbd n VAL 77 CO 0.00 0.00 0.00 -1.28 -1.32 0.00 0.00 176.83 174.23 2tbd h SER 78 N 0.00 0.78 0.17 4.52 0.87 -1.76 -0.39 113.55 117.74 2tbd h SER 78 Ca 0.00 -0.69 -0.01 0.00 -1.23 0.00 0.00 61.79 59.86 2tbd h SER 78 Cb 0.07 -0.23 0.00 0.00 -0.44 0.00 0.00 62.40 61.80 2tbd h SER 78 CO 0.00 1.36 -0.08 0.00 -0.53 0.00 0.00 176.83 177.58 2tbd h ALA 79 N 0.44 -0.23 -0.07 6.23 0.00 -1.48 -2.91 119.26 121.24 2tbd h ALA 79 Ca -0.08 -0.23 0.01 0.00 0.00 0.00 0.00 54.91 54.61 2tbd h ALA 79 Cb 1.42 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.29 2tbd h ALA 79 CO 0.15 -0.33 0.05 0.82 0.00 0.00 0.00 179.25 179.94 2tbd h ILE 80 N -0.82 1.00 -0.57 0.00 1.08 -1.60 0.74 117.51 117.34 2tbd h ILE 80 Ca -0.02 -0.02 0.00 0.00 -0.39 0.00 0.00 64.86 64.43 2tbd h ILE 80 Cb 0.53 0.93 -0.03 0.00 -3.07 0.00 0.00 36.82 35.18 2tbd h ILE 80 CO 0.04 0.01 0.37 -1.13 -0.69 0.00 0.00 178.15 176.75 2tbd h ASN 81 N 0.06 0.66 -0.51 1.72 -1.24 -0.98 0.92 115.58 116.21 2tbd h ASN 81 Ca 0.03 -0.02 0.07 0.00 0.71 0.00 0.00 56.30 57.08 2tbd h ASN 81 Cb 0.04 -0.16 -0.03 0.00 0.73 0.00 0.00 38.32 38.89 2tbd h ASN 81 CO -0.00 0.48 0.34 0.78 -1.29 0.00 0.00 177.43 177.74 2tbd h ASN 82 N 0.77 0.37 0.00 1.15 2.35 -0.64 0.53 115.58 120.11 2tbd h ASN 82 Ca 0.21 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.96 2tbd h ASN 82 Cb -0.08 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.22 2tbd h ASN 82 CO -0.04 0.24 -0.00 0.22 -1.65 0.00 0.00 177.43 176.19 2tbd h TYR 83 N 0.42 -0.00 0.29 1.19 3.20 -0.87 -3.00 116.97 118.19 2tbd h TYR 83 Ca 0.22 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.09 2tbd h TYR 83 Cb 0.35 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.60 2tbd h TYR 83 CO -0.00 -0.00 -0.37 0.00 -1.64 0.00 0.00 178.16 176.15 2tbd h ALA 84 N -1.93 -1.00 -0.61 1.82 0.00 -1.28 0.12 119.26 116.38 2tbd h ALA 84 Ca -0.00 -0.12 0.18 0.00 0.00 0.00 0.00 54.91 54.96 2tbd h ALA 84 Cb 0.00 0.65 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 2tbd h ALA 84 CO 0.00 -1.04 0.83 0.37 0.00 0.00 0.00 179.25 179.41 2tbd h GLN 85 N -0.68 0.00 -1.20 0.00 5.75 -0.13 0.57 115.11 119.43 2tbd h GLN 85 Ca -0.03 0.00 -0.26 0.00 -0.15 0.00 0.00 58.65 58.20 2tbd h GLN 85 Cb 0.61 0.00 -0.14 0.00 1.07 0.00 0.00 27.48 29.02 2tbd h GLN 85 CO -0.09 0.00 0.34 1.17 -2.65 0.00 0.00 178.83 177.59 2tbd n LYS 86 N -3.31 1.64 -1.46 1.69 4.81 0.03 -3.78 118.16 117.77 2tbd n LYS 86 Ca 0.13 -1.41 0.03 0.00 -0.87 0.00 0.00 58.31 56.19 2tbd n LYS 86 Cb 1.03 -1.55 0.02 0.00 0.02 0.00 0.00 35.03 34.55 2tbd n LYS 86 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 2tbd n LEU 87 N -0.01 0.90 -0.19 3.14 4.77 0.20 -4.80 117.00 121.00 2tbd n LEU 87 Ca 0.28 -1.98 0.02 0.00 -0.03 0.00 0.00 56.01 54.30 2tbd n LEU 87 Cb 0.87 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.98 2tbd n LEU 87 CO 0.31 0.54 0.33 0.00 -1.33 0.00 0.00 177.39 177.24 2tbd n THR 89 N 0.26 1.50 -0.03 0.00 5.66 -1.26 -3.48 114.28 116.94 2tbd n THR 89 Ca 0.03 0.38 -0.03 0.00 -3.05 0.00 0.00 64.05 61.38 2tbd n THR 89 Cb 0.13 -1.28 -0.01 0.00 -1.55 0.00 0.00 70.33 67.62 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 -1.47 0.00 -2.13 1.09 -1.74 -1.26 -5.08 117.46 106.87 2tbd n PHE 90 Ca 0.02 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.91 2tbd n PHE 90 Cb 0.07 -0.16 0.00 0.00 1.52 0.00 0.00 39.48 40.91 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 -3.16 0.48 -4.93 5.98 2.88 -1.23 -5.13 113.62 108.52 2tbd n SER 91 Ca -0.04 0.00 -0.26 0.00 -1.33 0.00 0.00 58.87 57.24 2tbd n SER 91 Cb 0.16 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 63.64 2tbd n SER 91 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 2tbd s PHE 92 N 1.87 3.30 -0.21 0.66 -0.12 -1.26 -4.64 117.98 117.58 2tbd s PHE 92 Ca 0.00 0.54 -0.15 0.00 -0.05 0.00 0.00 56.93 57.27 2tbd s PHE 92 Cb 0.00 -2.53 0.06 0.00 -0.63 0.00 0.00 43.02 39.92 2tbd s PHE 92 CO 0.00 -0.58 0.53 -1.17 -0.05 0.00 0.00 175.22 173.95 2tbd s LEU 93 N -4.81 -0.26 -0.43 -1.99 0.20 -1.26 -4.51 118.68 105.62 2tbd s LEU 93 Ca 0.51 1.12 0.04 0.00 0.69 0.00 0.00 54.13 56.48 2tbd s LEU 93 Cb -0.10 1.80 0.17 0.00 -0.43 0.00 0.00 46.19 47.63 2tbd s LEU 93 CO 0.43 -0.20 0.35 -0.63 -0.29 0.00 0.00 176.35 176.01 2tbd s ILE 94 N 0.95 0.52 0.15 6.68 1.01 -0.69 -5.02 121.20 124.79 2tbd s ILE 94 Ca -0.05 -2.75 -0.10 0.00 0.00 0.00 0.00 60.65 57.75 2tbd s ILE 94 Cb -0.06 -1.37 -0.07 0.00 0.01 0.00 0.00 42.46 40.98 2tbd s ILE 94 CO -0.08 -1.22 0.49 0.00 0.00 0.00 0.00 174.94 174.13 2tbd s LYS 96 N -2.31 1.44 0.16 0.00 2.20 -0.85 -4.93 119.74 115.44 2tbd s LYS 96 Ca 0.40 -1.11 0.00 0.00 -0.36 0.00 0.00 55.97 54.90 2tbd s LYS 96 Cb -0.13 0.48 -0.04 0.00 -1.51 0.00 0.00 37.83 36.63 2tbd s LYS 96 CO 0.20 -0.60 0.33 0.20 -0.36 0.00 0.00 175.35 175.12 2tbd s GLY 97 N -2.96 1.84 0.14 5.54 0.00 -1.26 -0.89 107.32 109.72 2tbd s GLY 97 Ca 0.17 -0.89 0.07 0.00 0.00 0.00 0.00 44.72 44.06 2tbd s GLY 97 CO 0.04 -0.86 -0.15 0.14 0.00 0.00 0.00 173.10 172.27 2tbd s VAL 98 N -1.76 1.46 -1.02 1.40 1.01 -1.06 -1.77 120.40 118.67 2tbd s VAL 98 Ca 0.37 -1.83 0.24 0.00 0.00 0.00 0.00 61.98 60.76 2tbd s VAL 98 Cb -0.11 -1.67 -0.06 0.00 0.00 0.00 0.00 36.38 34.54 2tbd s VAL 98 CO 0.28 -0.43 1.25 0.59 0.00 0.00 0.00 175.10 176.80 2tbd n ASN 99 N 0.35 0.67 -3.15 3.32 5.03 -1.26 -4.72 115.26 115.51 2tbd n ASN 99 Ca -0.14 -0.50 0.04 0.00 0.87 0.00 0.00 54.58 54.85 2tbd n ASN 99 Cb 0.58 0.48 -0.00 0.00 -1.02 0.00 0.00 39.78 39.82 2tbd n ASN 99 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 2tbd s LYS 100 N -2.99 0.56 0.41 3.52 -0.14 -1.26 -5.00 119.74 114.84 2tbd s LYS 100 Ca 0.10 0.59 0.14 0.00 -1.36 0.00 0.00 55.97 55.44 2tbd s LYS 100 Cb 0.17 0.27 1.00 0.00 -1.68 0.00 0.00 37.83 37.60 2tbd s LYS 100 CO 0.75 -1.02 1.90 1.49 -0.76 0.00 0.00 175.35 177.72 2tbd h GLU 101 N 8.00 0.46 -0.62 1.68 4.57 -1.92 0.33 114.58 127.08 2tbd h GLU 101 Ca -0.03 -0.03 -0.04 0.00 -1.18 0.00 0.00 59.36 58.08 2tbd h GLU 101 Cb 1.19 -0.10 -0.03 0.00 -0.16 0.00 0.00 28.75 29.64 2tbd h GLU 101 CO 0.16 0.31 0.22 -0.92 -1.18 0.00 0.00 179.01 177.59 2tbd h TYR 102 N 0.48 0.95 -0.20 0.92 5.03 -1.93 -0.86 116.97 121.35 2tbd h TYR 102 Ca 0.40 -0.07 -0.03 0.00 2.58 0.00 0.00 58.73 61.61 2tbd h TYR 102 Cb 0.85 -0.28 -0.01 0.00 1.55 0.00 0.00 36.73 38.84 2tbd h TYR 102 CO -0.00 0.75 0.01 1.25 -1.32 0.00 0.00 178.16 178.85 2tbd h LEU 103 N 0.91 0.34 0.16 2.82 7.12 -1.34 -0.98 115.31 124.34 2tbd h LEU 103 Ca 0.21 -0.29 -0.01 0.00 0.13 0.00 0.00 57.88 57.92 2tbd h LEU 103 Cb 0.23 -0.09 0.00 0.00 -0.53 0.00 0.00 40.66 40.27 2tbd h LEU 103 CO -0.01 0.54 -0.08 0.24 -0.13 0.00 0.00 178.44 179.00 2tbd h MET 104 N 0.12 -0.21 -0.95 1.25 2.86 -1.24 -1.45 114.93 115.32 2tbd h MET 104 Ca 0.06 0.01 0.28 0.00 -2.06 0.00 0.00 59.70 58.00 2tbd h MET 104 Cb 0.36 0.05 -0.15 0.00 0.06 0.00 0.00 31.60 31.92 2tbd h MET 104 CO 0.01 -0.14 0.39 -0.92 1.06 0.00 0.00 176.91 177.31 2tbd h TYR 105 N -0.25 0.62 -0.21 -0.22 5.03 -1.25 0.45 116.97 121.15 2tbd h TYR 105 Ca -0.02 0.04 -0.00 0.00 2.58 0.00 0.00 58.73 61.33 2tbd h TYR 105 Cb 0.17 -0.12 -0.01 0.00 1.55 0.00 0.00 36.73 38.32 2tbd h TYR 105 CO 0.16 -0.22 0.12 0.77 -1.32 0.00 0.00 178.16 177.67 2tbd h SER 106 N 0.24 0.25 0.46 -2.11 0.02 -1.11 0.55 113.55 111.87 2tbd h SER 106 Ca 0.65 -0.06 0.00 0.00 -0.84 0.00 0.00 61.79 61.54 2tbd h SER 106 Cb 1.43 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.90 2tbd h SER 106 CO -0.65 0.24 0.00 0.00 -1.14 0.00 0.00 176.83 175.28 2tbd n ALA 107 N -2.18 1.52 -0.01 3.77 0.00 0.13 -2.02 120.51 121.72 2tbd n ALA 107 Ca -0.03 0.02 -0.11 0.00 0.00 0.00 0.00 53.44 53.32 2tbd n ALA 107 Cb 0.06 -1.26 -0.14 0.00 0.00 0.00 0.00 19.45 18.12 2tbd n ALA 107 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2tbd h LEU 108 N 0.00 0.09 -0.12 0.00 3.38 0.13 -3.34 115.31 115.45 2tbd h LEU 108 Ca 0.00 -0.18 -0.08 0.00 0.09 0.00 0.00 57.88 57.72 2tbd h LEU 108 Cb 0.23 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 2tbd h LEU 108 CO 0.00 1.16 -0.37 0.71 0.09 0.00 0.00 178.44 180.02 2tbd h THR 109 N 0.02 0.66 -3.11 0.22 1.35 -0.49 -3.24 112.91 108.32 2tbd h THR 109 Ca -0.28 -1.86 -0.58 0.00 -0.55 0.00 0.00 66.41 63.13 2tbd h THR 109 Cb 2.00 2.27 -0.06 0.00 -1.73 0.00 0.00 68.15 70.63 2tbd h THR 109 CO 0.09 0.37 0.76 -0.60 -0.25 0.00 0.00 175.52 175.88 2tbd s ARG 110 N -3.08 4.25 0.94 4.72 3.52 -0.99 -4.76 118.95 123.55 2tbd s ARG 110 Ca 0.04 1.30 -0.16 0.00 -0.13 0.00 0.00 55.73 56.78 2tbd s ARG 110 Cb 0.07 -3.64 -0.12 0.00 -1.56 0.00 0.00 34.95 29.70 2tbd s ARG 110 CO 0.72 -0.62 -0.51 -0.25 -0.81 0.00 0.00 175.30 173.83 2tbd n ASP 111 N 6.29 -5.04 -0.25 -2.12 9.92 -1.26 -2.27 116.55 121.82 2tbd n ASP 111 Ca 0.11 0.26 0.00 0.00 -0.53 0.00 0.00 54.79 54.63 2tbd n ASP 111 Cb 0.46 -0.86 0.00 0.00 -0.64 0.00 0.00 41.12 40.09 2tbd n ASP 111 CO 0.00 0.00 0.00 -0.81 0.13 0.00 0.00 177.20 176.52 2tbd n PRO 112 N 1.62 1.00 -2.95 -0.24 -0.04 -1.26 -5.04 135.00 128.09 2tbd n PRO 112 Ca 0.01 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.05 2tbd n PRO 112 Cb 0.55 -1.25 -0.05 0.00 -0.04 0.00 0.00 33.50 32.71 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 -1.50 3.23 0.00 0.54 0.08 -0.96 -4.72 117.98 114.64 2tbd s PHE 113 Ca 0.00 0.89 0.00 0.00 0.12 0.00 0.00 56.93 57.94 2tbd s PHE 113 Cb 0.00 -3.15 0.00 0.00 -0.57 0.00 0.00 43.02 39.30 2tbd s PHE 113 CO 0.00 -0.51 0.00 0.45 -0.10 0.00 0.00 175.22 175.06 2tbd n SER 114 N 6.12 0.00 -4.38 1.36 2.88 -0.38 -3.90 113.62 115.31 2tbd n SER 114 Ca 0.04 -0.97 -0.20 0.00 -1.33 0.00 0.00 58.87 56.41 2tbd n SER 114 Cb 0.48 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.84 2tbd n SER 114 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 2tbd s VAL 115 N 0.07 1.78 0.09 2.46 1.01 -1.26 -2.51 120.40 122.03 2tbd s VAL 115 Ca 0.00 -2.20 0.00 0.00 0.00 0.00 0.00 61.98 59.78 2tbd s VAL 115 Cb 0.00 -2.20 0.00 0.00 0.00 0.00 0.00 36.38 34.18 2tbd s VAL 115 CO 0.00 -0.48 0.00 -0.38 0.00 0.00 0.00 175.10 174.24 2tbd n ILE 116 N -0.47 0.57 -3.33 2.22 5.41 -0.40 -4.67 119.36 118.69 2tbd n ILE 116 Ca -0.07 0.19 -0.04 0.00 1.00 0.00 0.00 62.75 63.83 2tbd n ILE 116 Cb 0.61 -1.10 0.01 0.00 -0.71 0.00 0.00 39.64 38.45 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 -3.10 0.42 -3.61 0.38 1.02 -0.99 -4.99 120.64 109.77 2tbd n GLU 117 Ca 0.00 -0.85 0.00 0.00 -0.02 0.00 0.00 57.16 56.29 2tbd n GLU 117 Cb 0.00 1.05 -0.01 0.00 -0.02 0.00 0.00 31.44 32.45 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 -2.05 0.03 -0.03 3.49 4.04 -1.26 -2.27 118.70 120.64 2tbd s GLU 118 Ca 0.06 -0.01 0.20 0.00 0.04 0.00 0.00 54.97 55.26 2tbd s GLU 118 Cb -0.02 0.01 -0.24 0.00 0.02 0.00 0.00 34.13 33.90 2tbd s GLU 118 CO 0.05 -0.01 0.49 -1.13 -1.84 0.00 0.00 175.26 172.81 2tbd n SER 119 N -0.21 0.25 -4.87 0.83 3.41 -1.13 -4.94 113.62 106.96 2tbd n SER 119 Ca -0.01 0.10 -0.30 0.00 -0.26 0.00 0.00 58.87 58.40 2tbd n SER 119 Cb 0.59 1.23 -0.00 0.00 -0.26 0.00 0.00 64.21 65.77 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 -5.10 3.39 -0.74 1.04 1.43 -1.26 -4.98 118.68 112.46 2tbd s LEU 120 Ca -0.07 1.33 -0.27 0.00 -1.03 0.00 0.00 54.13 54.10 2tbd s LEU 120 Cb 0.10 -4.34 0.02 0.00 0.03 0.00 0.00 46.19 42.01 2tbd s LEU 120 CO 0.86 -0.75 1.40 -2.16 0.23 0.00 0.00 176.35 175.93 2tbd s PRO 121 N -4.88 3.11 0.00 1.29 0.04 -1.26 -3.19 135.00 130.11 2tbd s PRO 121 Ca 0.54 -0.15 0.00 0.00 0.04 0.00 0.00 61.00 61.43 2tbd s PRO 121 Cb -0.11 -4.31 0.00 0.00 0.04 0.00 0.00 34.50 30.13 2tbd s PRO 121 CO 0.48 -2.27 0.00 0.41 0.04 0.00 0.00 177.00 175.66 2tbd n GLY 122 N 5.56 1.48 0.36 0.56 0.00 -1.26 -4.89 105.19 107.00 2tbd n GLY 122 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 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 -2.00 -1.74 3.34 -0.02 0.00 -1.19 -4.98 105.19 98.60 2tbd n GLY 123 Ca 0.00 -2.02 -0.29 0.00 0.00 0.00 0.00 46.02 43.71 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 -1.91 -4.27 0.99 4.32 -1.26 -4.88 117.00 109.99 2tbd n LEU 124 Ca 0.00 -0.27 -0.19 0.00 -0.02 0.00 0.00 56.01 55.53 2tbd n LEU 124 Cb 0.00 -1.08 -0.08 0.00 -1.62 0.00 0.00 43.42 40.64 2tbd n LEU 124 CO 0.00 -3.40 -0.11 -0.54 -1.22 0.00 0.00 177.39 172.12 2tbd s LYS 125 N -4.05 1.72 0.00 3.23 3.01 -1.26 -5.07 119.74 117.32 2tbd s LYS 125 Ca 0.62 -1.98 0.00 0.00 -1.01 0.00 0.00 55.97 53.60 2tbd s LYS 125 Cb -0.18 0.33 0.00 0.00 -1.01 0.00 0.00 37.83 36.96 2tbd s LYS 125 CO 0.63 -0.63 0.76 -0.85 0.51 0.00 0.00 175.35 175.77 2tbd n GLU 126 N -0.59 0.00 0.00 1.68 0.28 -1.26 -4.42 120.64 116.33 2tbd n GLU 126 Ca 0.07 0.76 0.00 0.00 -0.16 0.00 0.00 57.16 57.83 2tbd n GLU 126 Cb 0.63 -1.17 0.00 0.00 1.43 0.00 0.00 31.44 32.33 2tbd n GLU 126 CO 0.00 0.00 0.00 -2.39 -0.16 0.00 0.00 177.13 174.58 2tbd n HIS 127 N -2.55 -1.11 0.00 -1.84 1.44 -1.26 -4.98 115.22 104.92 2tbd n HIS 127 Ca 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 2tbd n HIS 127 Cb 0.00 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.11 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 -1.00 0.00 0.00 4.39 9.92 -1.26 -4.97 116.55 123.62 2tbd n ASP 128 Ca 0.00 0.01 0.00 0.00 -0.53 0.00 0.00 54.79 54.27 2tbd n ASP 128 Cb 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 2tbd n ASP 128 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 2tbd n PHE 129 N -0.17 -0.74 -2.79 1.24 3.72 -1.26 -4.22 117.46 113.24 2tbd n PHE 129 Ca 0.00 0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 57.30 2tbd n PHE 129 Cb 0.00 0.16 0.06 0.00 -0.94 0.00 0.00 39.48 38.75 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 -1.47 -2.24 -4.57 4.37 4.13 -1.26 -5.05 115.26 109.17 2tbd n ASN 130 Ca 0.00 -3.44 -0.42 0.00 1.68 0.00 0.00 54.58 52.40 2tbd n ASN 130 Cb 0.00 1.59 -0.03 0.00 -1.54 0.00 0.00 39.78 39.80 2tbd n ASN 130 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 2tbd s PRO 131 N 0.19 3.37 -0.06 3.52 0.04 -1.26 -4.99 135.00 135.82 2tbd s PRO 131 Ca 0.28 0.26 0.00 0.00 0.04 0.00 0.00 61.00 61.58 2tbd s PRO 131 Cb 0.26 -4.09 0.02 0.00 0.04 0.00 0.00 34.50 30.74 2tbd s PRO 131 CO -0.14 -1.86 -0.04 -1.21 0.04 0.00 0.00 177.00 173.79 2tbd s GLU 132 N 5.31 0.92 0.35 4.56 2.02 -1.26 -5.14 118.70 125.47 2tbd s GLU 132 Ca 0.46 -0.10 0.02 0.00 0.02 0.00 0.00 54.97 55.37 2tbd s GLU 132 Cb -0.09 -0.99 -0.01 0.00 0.10 0.00 0.00 34.13 33.14 2tbd s GLU 132 CO 0.24 -0.14 0.41 0.45 0.02 0.00 0.00 175.26 176.24 2tbd s SER 133 N 1.22 1.35 0.00 -0.19 0.15 -1.26 -5.13 113.70 109.85 2tbd s SER 133 Ca -0.06 -1.64 0.00 0.00 0.70 0.00 0.00 55.95 54.95 2tbd s SER 133 Cb -0.14 0.64 0.00 0.00 -1.71 0.00 0.00 66.02 64.81 2tbd s SER 133 CO -0.02 -1.24 0.00 -1.54 1.20 0.00 0.00 173.24 171.64