#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 4trx s VAL 2 N 0.00 3.53 -0.04 2.03 1.01 -1.26 -2.91 120.40 122.77 4trx s VAL 2 Ca 0.00 0.97 0.00 0.00 0.00 0.00 0.00 61.98 62.95 4trx s VAL 2 Cb 0.00 -3.40 0.03 0.00 0.00 0.00 0.00 36.38 33.00 4trx s VAL 2 CO 0.00 -0.19 -0.01 -0.75 0.00 0.00 0.00 175.10 174.16 4trx s LYS 3 N -3.19 0.46 -0.07 2.72 2.47 0.13 -4.95 119.74 117.32 4trx s LYS 3 Ca 0.69 0.06 -0.16 0.00 -1.56 0.00 0.00 55.97 55.00 4trx s LYS 3 Cb -0.20 -0.67 -0.05 0.00 -1.46 0.00 0.00 37.83 35.45 4trx s LYS 3 CO 0.23 -0.17 0.42 -1.14 0.16 0.00 0.00 175.35 174.86 4trx s GLN 4 N 1.27 4.15 0.44 4.03 0.74 -1.26 0.57 119.66 129.59 4trx s GLN 4 Ca -0.06 0.39 0.08 0.00 0.05 0.00 0.00 55.36 55.82 4trx s GLN 4 Cb -0.13 -3.34 -0.00 0.00 1.10 0.00 0.00 33.01 30.64 4trx s GLN 4 CO -0.02 0.41 0.46 0.42 -0.55 0.00 0.00 175.29 176.01 4trx s ILE 5 N -0.17 2.62 0.00 -2.34 -1.09 -0.89 -4.92 121.20 114.41 4trx s ILE 5 Ca 0.24 -1.25 0.00 0.00 -2.23 0.00 0.00 60.65 57.41 4trx s ILE 5 Cb -0.16 -2.86 0.00 0.00 -1.58 0.00 0.00 42.46 37.86 4trx s ILE 5 CO 0.11 0.00 0.00 -0.62 -1.23 0.00 0.00 174.94 173.20 4trx n GLU 6 N -1.69 0.00 -3.68 2.79 1.02 -1.26 -4.68 120.64 113.13 4trx n GLU 6 Ca 0.05 0.00 -0.15 0.00 -0.02 0.00 0.00 57.16 57.04 4trx n GLU 6 Cb 0.61 -0.27 -0.06 0.00 -0.02 0.00 0.00 31.44 31.71 4trx n GLU 6 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 4trx n SER 7 N -1.92 -0.43 0.18 1.62 3.41 -1.26 -4.29 113.62 110.93 4trx n SER 7 Ca 0.00 -2.65 0.04 0.00 -0.26 0.00 0.00 58.87 56.00 4trx n SER 7 Cb 0.00 1.23 0.34 0.00 -0.26 0.00 0.00 64.21 65.52 4trx n SER 7 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 4trx h LYS 8 N 0.00 0.00 -0.97 4.33 3.64 -1.97 -2.30 116.57 119.30 4trx h LYS 8 Ca -0.18 0.00 0.05 0.00 -1.27 0.00 0.00 60.65 59.25 4trx h LYS 8 Cb 0.90 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.66 4trx h LYS 8 CO 0.26 0.41 0.64 1.15 -2.27 0.00 0.00 179.45 179.64 4trx h THR 9 N 0.00 1.14 0.02 1.00 2.02 -2.01 -2.13 112.91 112.96 4trx h THR 9 Ca -0.00 -0.41 -0.00 0.00 0.77 0.00 0.00 66.41 66.77 4trx h THR 9 Cb 0.81 -0.16 0.00 0.00 -1.74 0.00 0.00 68.15 67.06 4trx h THR 9 CO 0.05 0.22 -0.01 0.00 0.37 0.00 0.00 175.52 176.15 4trx h ALA 10 N 1.45 -0.03 -1.30 6.16 0.00 -1.91 -3.17 119.26 120.46 4trx h ALA 10 Ca 0.40 -0.35 0.38 0.00 0.00 0.00 0.00 54.91 55.34 4trx h ALA 10 Cb 0.07 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.82 4trx h ALA 10 CO -0.14 -0.06 1.10 0.35 0.00 0.00 0.00 179.25 180.51 4trx h PHE 11 N -0.95 0.00 0.00 0.00 3.57 -1.26 0.42 116.94 118.73 4trx h PHE 11 Ca -0.00 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.50 4trx h PHE 11 Cb 0.71 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.45 4trx h PHE 11 CO 0.19 0.00 -0.00 1.96 -2.23 0.00 0.00 178.31 178.22 4trx h GLN 12 N 0.00 -0.01 -0.17 1.11 1.08 -1.41 -3.25 115.11 112.46 4trx h GLN 12 Ca 0.62 0.00 0.04 0.00 -1.45 0.00 0.00 58.65 57.85 4trx h GLN 12 Cb 2.82 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 30.21 4trx h GLN 12 CO -0.01 0.80 -0.06 0.93 -0.95 0.00 0.00 178.83 179.55 4trx h GLU 13 N -0.83 -0.02 -0.63 1.46 4.39 -0.18 -1.52 114.58 117.26 4trx h GLU 13 Ca -0.00 0.00 0.13 0.00 0.34 0.00 0.00 59.36 59.83 4trx h GLU 13 Cb 0.81 0.00 -0.11 0.00 -0.10 0.00 0.00 28.75 29.35 4trx h GLU 13 CO 0.00 -0.01 -0.05 0.00 -1.16 0.00 0.00 179.01 177.78 4trx h ALA 14 N 1.15 0.55 0.00 3.43 0.00 -1.45 1.28 119.26 124.22 4trx h ALA 14 Ca 0.09 0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.21 4trx h ALA 14 Cb 0.15 0.39 0.00 0.00 0.00 0.00 0.00 17.79 18.33 4trx h ALA 14 CO -0.19 -0.41 0.00 -0.07 0.00 0.00 0.00 179.25 178.58 4trx h LEU 15 N 0.07 0.00 0.00 0.00 3.38 -1.46 -0.45 115.31 116.85 4trx h LEU 15 Ca 0.32 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.29 4trx h LEU 15 Cb 0.52 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.27 4trx h LEU 15 CO -0.58 0.00 -1.22 -0.67 0.09 0.00 0.00 178.44 176.06 4trx n ASP 16 N -2.59 0.55 -0.19 -0.43 2.03 0.36 -4.06 116.55 112.22 4trx n ASP 16 Ca 0.01 -0.19 0.09 0.00 0.52 0.00 0.00 54.79 55.21 4trx n ASP 16 Cb 0.24 1.03 -0.06 0.00 -0.72 0.00 0.00 41.12 41.61 4trx n ASP 16 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 4trx n ALA 17 N -1.92 3.86 0.22 -1.67 0.00 0.29 -4.23 120.51 117.06 4trx n ALA 17 Ca 0.01 -0.54 0.06 0.00 0.00 0.00 0.00 53.44 52.97 4trx n ALA 17 Cb 0.46 -0.65 0.22 0.00 0.00 0.00 0.00 19.45 19.49 4trx n ALA 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 4trx n ALA 18 N -0.80 2.84 -0.92 0.00 0.00 -0.25 -4.99 120.51 116.40 4trx n ALA 18 Ca 0.05 -0.97 0.00 0.00 0.00 0.00 0.00 53.44 52.52 4trx n ALA 18 Cb 0.33 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.76 4trx n ALA 18 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 4trx n GLY 19 N 0.85 1.98 0.00 0.00 0.00 -1.26 -2.79 105.19 103.97 4trx n GLY 19 Ca 0.16 0.37 0.00 0.00 0.00 0.00 0.00 46.02 46.55 4trx n GLY 19 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 4trx n ASP 20 N 10.70 0.00 -3.30 1.61 8.00 -1.26 -4.64 116.55 127.65 4trx n ASP 20 Ca 0.00 -1.00 -0.31 0.00 0.71 0.00 0.00 54.79 54.19 4trx n ASP 20 Cb 0.00 0.00 0.29 0.00 -0.02 0.00 0.00 41.12 41.39 4trx n ASP 20 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 4trx s LYS 21 N 0.00 -3.26 0.26 -1.24 1.02 -1.12 -4.17 119.74 111.23 4trx s LYS 21 Ca 0.00 0.08 -0.30 0.00 0.02 0.00 0.00 55.97 55.77 4trx s LYS 21 Cb 0.00 -1.34 -0.10 0.00 -0.52 0.00 0.00 37.83 35.86 4trx s LYS 21 CO 0.00 -5.08 1.48 -1.17 -0.92 0.00 0.00 175.35 169.66 4trx s LEU 22 N -7.97 4.37 -0.29 3.17 2.96 -1.26 -4.48 118.68 115.18 4trx s LEU 22 Ca 0.68 2.74 -0.01 0.00 -0.22 0.00 0.00 54.13 57.33 4trx s LEU 22 Cb -0.12 -3.63 0.09 0.00 0.50 0.00 0.00 46.19 43.03 4trx s LEU 22 CO 0.57 -0.76 0.07 -0.69 -1.32 0.00 0.00 176.35 174.23 4trx s VAL 23 N -0.03 0.94 0.06 1.68 1.01 -0.74 -2.51 120.40 120.81 4trx s VAL 23 Ca 0.60 -1.30 0.01 0.00 0.00 0.00 0.00 61.98 61.29 4trx s VAL 23 Cb -0.43 -1.63 -0.04 0.00 0.00 0.00 0.00 36.38 34.28 4trx s VAL 23 CO 0.45 -0.56 0.16 -0.69 0.00 0.00 0.00 175.10 174.46 4trx s VAL 24 N 1.60 5.08 -0.02 2.92 1.01 -1.06 0.11 120.40 130.03 4trx s VAL 24 Ca 0.07 -0.52 0.06 0.00 0.00 0.00 0.00 61.98 61.59 4trx s VAL 24 Cb -0.17 -3.46 -0.01 0.00 0.00 0.00 0.00 36.38 32.73 4trx s VAL 24 CO -0.21 0.14 -0.20 -0.69 0.00 0.00 0.00 175.10 174.15 4trx s VAL 25 N -1.46 1.58 -0.71 2.92 1.01 -0.24 -1.44 120.40 122.06 4trx s VAL 25 Ca 0.33 -0.84 -0.09 0.00 0.00 0.00 0.00 61.98 61.38 4trx s VAL 25 Cb -0.13 -1.32 0.18 0.00 0.00 0.00 0.00 36.38 35.12 4trx s VAL 25 CO 0.25 0.45 0.59 -0.62 0.00 0.00 0.00 175.10 175.77 4trx s ASP 26 N -0.34 5.99 -0.82 3.32 2.15 -1.09 -1.84 116.67 124.04 4trx s ASP 26 Ca 0.05 -2.70 -0.26 0.00 0.43 0.00 0.00 52.55 50.07 4trx s ASP 26 Cb -0.09 -2.03 0.02 0.00 -0.30 0.00 0.00 42.92 40.52 4trx s ASP 26 CO 0.00 -0.49 1.45 -0.36 -0.17 0.00 0.00 175.17 175.60 4trx s PHE 27 N 0.16 2.25 0.03 -5.34 0.08 0.93 -2.53 117.98 113.56 4trx s PHE 27 Ca 0.16 -0.14 0.00 0.00 0.12 0.00 0.00 56.93 57.07 4trx s PHE 27 Cb -0.16 -4.55 0.00 0.00 -0.57 0.00 0.00 43.02 37.74 4trx s PHE 27 CO -0.06 -2.04 0.04 0.45 -0.10 0.00 0.00 175.22 173.51 4trx n SER 28 N 9.95 -0.10 -4.60 1.36 2.88 -0.98 -0.36 113.62 121.75 4trx n SER 28 Ca 0.17 -1.17 -0.34 0.00 -1.33 0.00 0.00 58.87 56.20 4trx n SER 28 Cb 0.50 0.20 -0.10 0.00 -0.75 0.00 0.00 64.21 64.05 4trx n SER 28 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 4trx s ALA 29 N -1.77 3.28 -0.11 -1.46 0.00 -1.26 -2.44 121.76 118.00 4trx s ALA 29 Ca 0.03 -0.77 0.14 0.00 0.00 0.00 0.00 51.96 51.36 4trx s ALA 29 Cb -0.00 -1.77 -0.24 0.00 0.00 0.00 0.00 23.12 21.11 4trx s ALA 29 CO 0.02 0.24 0.42 -2.37 0.00 0.00 0.00 175.76 174.06 4trx n THR 30 N 3.37 1.53 -0.04 0.00 5.66 -1.26 -3.79 114.28 119.76 4trx n THR 30 Ca -0.17 -0.81 -0.14 0.00 -3.05 0.00 0.00 64.05 59.88 4trx n THR 30 Cb 0.52 -0.85 -0.09 0.00 -1.55 0.00 0.00 70.33 68.36 4trx n THR 30 CO 0.00 0.00 0.00 4.11 -3.05 0.00 0.00 175.07 176.13 4trx h TRP 31 N 0.00 0.33 -2.05 1.09 5.08 -2.00 -3.46 115.95 114.94 4trx h TRP 31 Ca -0.39 -0.13 -0.31 0.00 1.08 0.00 0.00 58.89 59.14 4trx h TRP 31 Cb 2.10 -0.06 0.17 0.00 -3.00 0.00 0.00 29.16 28.37 4trx h TRP 31 CO 0.00 0.79 -0.66 0.00 -1.28 0.00 0.00 178.44 177.30 4trx n GLY 33 N 2.35 -0.48 0.27 0.00 0.00 -1.26 -4.28 105.19 101.78 4trx n GLY 33 Ca 0.04 -0.02 0.05 0.00 0.00 0.00 0.00 46.02 46.09 4trx n GLY 33 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 4trx h PRO 34 N -0.05 0.42 -0.46 1.61 0.11 -1.96 0.10 132.00 131.77 4trx h PRO 34 Ca 0.00 -0.03 0.07 0.00 0.11 0.00 0.00 66.00 66.16 4trx h PRO 34 Cb 0.05 -0.10 -0.03 0.00 0.11 0.00 0.00 31.00 31.04 4trx h PRO 34 CO 0.00 0.28 0.31 0.00 -0.21 0.00 0.00 178.00 178.38 4trx n LYS 36 N -4.47 1.38 0.06 0.00 0.00 0.31 -3.50 118.16 111.94 4trx n LYS 36 Ca 0.06 -0.55 -0.08 0.00 0.00 0.00 0.00 58.31 57.75 4trx n LYS 36 Cb 0.29 -1.46 -0.12 0.00 0.00 0.00 0.00 35.03 33.74 4trx n LYS 36 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.40 179.38 4trx h MET 37 N 1.29 0.03 -0.00 1.64 4.05 0.23 -3.10 114.93 119.06 4trx h MET 37 Ca 0.00 -0.04 0.00 0.00 -0.28 0.00 0.00 59.70 59.38 4trx h MET 37 Cb 0.28 0.02 0.00 0.00 -0.80 0.00 0.00 31.60 31.09 4trx h MET 37 CO 0.00 1.02 -0.30 -0.89 0.23 0.00 0.00 176.91 176.97 4trx n ILE 38 N -3.37 0.00 0.26 1.77 -0.00 -1.23 -4.15 119.36 112.65 4trx n ILE 38 Ca -0.01 -0.02 -0.16 0.00 -0.00 0.00 0.00 62.75 62.57 4trx n ILE 38 Cb 0.94 0.01 -0.08 0.00 -0.00 0.00 0.00 39.64 40.51 4trx n ILE 38 CO 0.00 0.00 0.00 0.11 -0.00 0.00 0.00 176.55 176.66 4trx h LYS 39 N 0.16 -0.62 0.00 0.38 1.57 -1.65 -2.57 116.57 113.85 4trx h LYS 39 Ca 0.00 0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 4trx h LYS 39 Cb 0.48 0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.93 4trx h LYS 39 CO 0.00 -0.36 0.35 -2.30 -0.57 0.00 0.00 179.45 176.57 4trx n PRO 40 N -5.32 0.01 -0.05 3.15 -0.02 -1.26 0.81 135.00 132.32 4trx n PRO 40 Ca -0.11 0.23 -0.22 0.00 -2.02 0.00 0.00 63.50 61.37 4trx n PRO 40 Cb 0.29 -1.88 -0.13 0.00 -0.02 0.00 0.00 33.50 31.76 4trx n PRO 40 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 4trx n PHE 41 N -1.29 0.91 0.67 6.00 3.01 -0.97 -3.09 117.46 122.70 4trx n PHE 41 Ca -0.00 0.25 0.12 0.00 1.01 0.00 0.00 57.45 58.83 4trx n PHE 41 Cb 0.35 -1.11 0.29 0.00 -0.01 0.00 0.00 39.48 39.00 4trx n PHE 41 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 4trx n PHE 42 N -3.73 0.56 0.04 1.38 7.35 0.19 -3.73 117.46 119.51 4trx n PHE 42 Ca -0.36 0.16 -0.16 0.00 -0.76 0.00 0.00 57.45 56.34 4trx n PHE 42 Cb 0.94 -0.69 -0.14 0.00 0.35 0.00 0.00 39.48 39.94 4trx n PHE 42 CO 0.00 0.00 0.00 1.25 -0.76 0.00 0.00 176.76 177.25 4trx h HIS 43 N 0.00 0.36 0.00 -5.13 2.76 0.25 -3.30 115.15 110.09 4trx h HIS 43 Ca 0.00 -0.26 0.00 0.00 -2.20 0.00 0.00 60.37 57.91 4trx h HIS 43 Cb 0.70 -0.01 0.00 0.00 1.55 0.00 0.00 27.41 29.64 4trx h HIS 43 CO 0.00 1.36 0.00 0.45 -1.30 0.00 0.00 177.93 178.44 4trx n SER 44 N -3.38 0.00 -0.03 3.26 2.88 -1.18 -1.73 113.62 113.43 4trx n SER 44 Ca -0.18 -0.15 0.13 0.00 -1.33 0.00 0.00 58.87 57.35 4trx n SER 44 Cb 1.04 -0.12 0.48 0.00 -0.75 0.00 0.00 64.21 64.86 4trx n SER 44 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 4trx n LEU 45 N -1.12 0.32 -0.07 2.46 4.77 -1.24 -3.51 117.00 118.61 4trx n LEU 45 Ca 0.07 0.18 -0.08 0.00 -0.03 0.00 0.00 56.01 56.15 4trx n LEU 45 Cb 0.06 -0.32 -0.01 0.00 -2.33 0.00 0.00 43.42 40.82 4trx n LEU 45 CO 0.07 0.07 0.93 0.77 -1.33 0.00 0.00 177.39 177.90 4trx h SER 46 N 0.17 0.14 0.14 -1.43 4.64 -1.58 -1.69 113.55 113.93 4trx h SER 46 Ca 0.00 0.02 -0.33 0.00 -0.47 0.00 0.00 61.79 61.01 4trx h SER 46 Cb 0.46 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.55 4trx h SER 46 CO 0.00 0.11 -1.72 -0.33 -0.87 0.00 0.00 176.83 174.03 4trx h GLU 47 N 0.24 0.29 0.13 4.77 4.39 -1.82 -2.97 114.58 119.62 4trx h GLU 47 Ca 0.12 -0.50 -0.00 0.00 0.34 0.00 0.00 59.36 59.32 4trx h GLU 47 Cb 0.07 0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 28.90 4trx h GLU 47 CO -0.11 1.24 -0.15 -0.22 -1.16 0.00 0.00 179.01 178.61 4trx h LYS 48 N -0.08 -0.27 -5.21 2.33 3.64 -1.59 -3.35 116.57 112.05 4trx h LYS 48 Ca -0.36 0.02 -0.65 0.00 -1.27 0.00 0.00 60.65 58.38 4trx h LYS 48 Cb 1.94 0.06 -0.16 0.00 -0.41 0.00 0.00 32.23 33.66 4trx h LYS 48 CO 0.09 -0.18 0.37 0.71 -2.27 0.00 0.00 179.45 178.18 4trx s TYR 49 N -3.81 2.81 -1.63 1.91 2.02 -0.64 -4.83 117.35 113.18 4trx s TYR 49 Ca -0.05 -0.63 0.24 0.00 -0.37 0.00 0.00 57.07 56.26 4trx s TYR 49 Cb 0.01 -4.12 0.31 0.00 -0.40 0.00 0.00 41.96 37.76 4trx s TYR 49 CO 0.17 -1.46 1.28 -1.13 -1.57 0.00 0.00 175.55 172.84 4trx n SER 50 N 7.14 1.29 -1.63 2.29 3.41 -1.26 -3.93 113.62 120.93 4trx n SER 50 Ca -0.05 -1.03 0.07 0.00 -0.26 0.00 0.00 58.87 57.60 4trx n SER 50 Cb 0.45 0.40 0.35 0.00 -0.26 0.00 0.00 64.21 65.14 4trx n SER 50 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 4trx n ASN 51 N -0.68 4.86 -4.00 4.04 4.05 -1.26 -4.88 115.26 117.40 4trx n ASN 51 Ca 0.09 -2.63 -0.09 0.00 0.45 0.00 0.00 54.58 52.40 4trx n ASN 51 Cb 0.38 -0.62 -0.10 0.00 1.23 0.00 0.00 39.78 40.68 4trx n ASN 51 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 177.26 173.52 4trx s VAL 52 N -2.23 0.15 -0.12 3.44 1.01 -1.25 -4.69 120.40 116.70 4trx s VAL 52 Ca 0.48 -1.20 -0.04 0.00 0.00 0.00 0.00 61.98 61.22 4trx s VAL 52 Cb 0.34 -0.76 -0.04 0.00 0.00 0.00 0.00 36.38 35.93 4trx s VAL 52 CO 0.18 -0.66 0.04 -0.63 0.00 0.00 0.00 175.10 174.03 4trx s ILE 53 N -2.40 4.59 -0.11 2.22 -1.09 -1.04 -3.89 121.20 119.49 4trx s ILE 53 Ca -0.07 -0.13 0.02 0.00 -2.23 0.00 0.00 60.65 58.25 4trx s ILE 53 Cb -0.03 -2.99 0.01 0.00 -1.58 0.00 0.00 42.46 37.87 4trx s ILE 53 CO -0.04 0.56 -0.18 -0.36 -1.23 0.00 0.00 174.94 173.68 4trx s PHE 54 N -0.44 2.16 0.46 3.97 0.08 -1.14 -2.57 117.98 120.50 4trx s PHE 54 Ca 0.09 -0.98 0.08 0.00 0.12 0.00 0.00 56.93 56.24 4trx s PHE 54 Cb -0.12 -1.51 0.01 0.00 -0.57 0.00 0.00 43.02 40.83 4trx s PHE 54 CO 0.02 -0.46 0.46 -0.51 -0.10 0.00 0.00 175.22 174.63 4trx s LEU 55 N 0.76 3.25 -0.23 -0.37 1.02 -0.52 0.18 118.68 122.78 4trx s LEU 55 Ca -0.11 -0.82 -0.03 0.00 0.02 0.00 0.00 54.13 53.19 4trx s LEU 55 Cb -0.16 -1.90 0.12 0.00 0.02 0.00 0.00 46.19 44.27 4trx s LEU 55 CO 0.01 -0.84 0.32 -0.70 0.02 0.00 0.00 176.35 175.17 4trx s GLU 56 N -4.25 0.29 -0.11 1.70 2.12 0.19 -2.65 118.70 115.99 4trx s GLU 56 Ca 0.48 0.44 -0.03 0.00 0.36 0.00 0.00 54.97 56.22 4trx s GLU 56 Cb -0.04 -0.69 -0.03 0.00 0.26 0.00 0.00 34.13 33.63 4trx s GLU 56 CO 0.29 -0.63 0.02 0.08 -0.54 0.00 0.00 175.26 174.48 4trx s VAL 57 N 2.47 4.46 -0.37 3.70 1.01 -1.05 -2.09 120.40 128.53 4trx s VAL 57 Ca 0.10 -0.18 -0.13 0.00 0.00 0.00 0.00 61.98 61.77 4trx s VAL 57 Cb -0.15 -2.91 0.00 0.00 0.00 0.00 0.00 36.38 33.32 4trx s VAL 57 CO -0.14 0.58 0.26 -0.62 0.00 0.00 0.00 175.10 175.17 4trx s ASP 58 N -0.64 6.01 0.00 3.32 2.15 -1.26 -2.33 116.67 123.92 4trx s ASP 58 Ca 0.11 -0.69 0.02 0.00 0.43 0.00 0.00 52.55 52.42 4trx s ASP 58 Cb -0.12 -2.12 0.13 0.00 -0.30 0.00 0.00 42.92 40.51 4trx s ASP 58 CO 0.02 -0.34 0.54 1.33 -0.17 0.00 0.00 175.17 176.55 4trx n VAL 59 N 5.11 0.00 -0.12 1.11 0.24 -1.02 -0.63 118.33 123.02 4trx n VAL 59 Ca -0.12 0.00 -0.24 0.00 -2.04 0.00 0.00 64.34 61.94 4trx n VAL 59 Cb 0.48 -0.38 -0.09 0.00 -1.47 0.00 0.00 33.84 32.38 4trx n VAL 59 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 4trx n ASP 60 N -0.59 1.76 0.01 -1.34 -0.08 -1.26 -4.34 116.55 110.71 4trx n ASP 60 Ca 0.02 0.22 0.10 0.00 -1.51 0.00 0.00 54.79 53.62 4trx n ASP 60 Cb 0.01 -0.64 -0.13 0.00 2.34 0.00 0.00 41.12 42.70 4trx n ASP 60 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 4trx n ASP 61 N -3.92 0.23 -2.36 1.67 2.03 -1.12 -4.36 116.55 108.73 4trx n ASP 61 Ca -0.45 0.09 -0.30 0.00 0.52 0.00 0.00 54.79 54.65 4trx n ASP 61 Cb 0.84 1.51 0.03 0.00 -0.72 0.00 0.00 41.12 42.78 4trx n ASP 61 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 4trx n GLN 63 N -0.65 0.00 -0.05 0.00 6.02 -1.26 -2.04 117.38 119.40 4trx n GLN 63 Ca 0.48 0.33 -0.01 0.00 -0.01 0.00 0.00 57.00 57.79 4trx n GLN 63 Cb 0.70 -1.58 -0.00 0.00 1.02 0.00 0.00 30.24 30.38 4trx n GLN 63 CO 0.00 0.00 0.00 0.38 -1.01 0.00 0.00 177.06 176.43 4trx h ASP 64 N 0.00 0.00 -0.83 1.08 2.03 -1.92 -1.61 116.42 115.18 4trx h ASP 64 Ca 0.00 0.00 0.18 0.00 -0.73 0.00 0.00 57.03 56.48 4trx h ASP 64 Cb 0.16 0.00 -0.06 0.00 -0.83 0.00 0.00 39.33 38.60 4trx h ASP 64 CO 0.00 0.49 0.55 0.58 -1.03 0.00 0.00 179.24 179.83 4trx h VAL 65 N -0.89 0.73 -0.11 4.15 2.07 -1.76 0.14 116.25 120.59 4trx h VAL 65 Ca 0.00 -0.14 -0.17 0.00 0.82 0.00 0.00 66.70 67.22 4trx h VAL 65 Cb 0.09 0.30 0.01 0.00 -1.52 0.00 0.00 31.29 30.17 4trx h VAL 65 CO 0.00 0.07 -0.59 0.00 0.02 0.00 0.00 177.57 177.07 4trx h ALA 66 N 1.63 0.22 0.00 1.67 0.00 -1.60 -2.86 119.26 118.31 4trx h ALA 66 Ca 0.42 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.79 4trx h ALA 66 Cb 1.03 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.81 4trx h ALA 66 CO -0.14 0.47 0.00 0.43 0.00 0.00 0.00 179.25 180.00 4trx n SER 67 N -4.15 0.21 0.07 0.00 7.64 0.25 -1.96 113.62 115.68 4trx n SER 67 Ca -0.08 0.56 -0.16 0.00 1.01 0.00 0.00 58.87 60.20 4trx n SER 67 Cb 0.65 -0.60 -0.14 0.00 -1.01 0.00 0.00 64.21 63.11 4trx n SER 67 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 4trx h GLU 68 N 0.00 0.24 -0.00 1.43 4.57 -0.67 -3.24 114.58 116.91 4trx h GLU 68 Ca 0.00 -0.41 0.00 0.00 -1.18 0.00 0.00 59.36 57.77 4trx h GLU 68 Cb 0.21 0.15 0.00 0.00 -0.16 0.00 0.00 28.75 28.96 4trx h GLU 68 CO 0.00 1.11 -0.21 0.00 -1.18 0.00 0.00 179.01 178.74 4trx n GLU 70 N -1.42 -4.67 -2.77 0.00 2.13 -0.88 -5.01 120.64 108.02 4trx n GLU 70 Ca 0.08 0.54 -0.30 0.00 0.66 0.00 0.00 57.16 58.14 4trx n GLU 70 Cb 0.33 -4.66 -0.02 0.00 0.27 0.00 0.00 31.44 27.35 4trx n GLU 70 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 4trx s VAL 71 N -3.22 4.80 0.00 6.31 1.01 -1.17 -4.98 120.40 123.15 4trx s VAL 71 Ca 0.18 0.56 0.01 0.00 0.00 0.00 0.00 61.98 62.74 4trx s VAL 71 Cb -0.08 -3.76 0.02 0.00 0.00 0.00 0.00 36.38 32.56 4trx s VAL 71 CO 0.47 -0.61 0.89 0.29 0.00 0.00 0.00 175.10 176.14 4trx n LYS 72 N -1.54 0.00 -3.64 2.72 4.76 -1.26 -4.90 118.16 114.30 4trx n LYS 72 Ca 0.02 -0.80 -0.05 0.00 -2.87 0.00 0.00 58.31 54.60 4trx n LYS 72 Cb 0.54 -0.34 -0.07 0.00 -1.84 0.00 0.00 35.03 33.32 4trx n LYS 72 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 4trx s THR 74 N 0.61 2.54 0.40 0.00 -4.23 -1.26 -4.04 115.64 109.66 4trx s THR 74 Ca -0.01 -2.00 -0.23 0.00 -1.18 0.00 0.00 61.69 58.28 4trx s THR 74 Cb -0.04 -2.24 -0.10 0.00 1.34 0.00 0.00 72.50 71.46 4trx s THR 74 CO -0.11 -0.14 0.98 -2.16 -0.54 0.00 0.00 174.62 172.64 4trx s PRO 75 N -2.79 4.26 -0.05 3.99 0.04 -1.26 -4.94 135.00 134.24 4trx s PRO 75 Ca 0.23 1.27 0.03 0.00 0.04 0.00 0.00 61.00 62.56 4trx s PRO 75 Cb -0.08 -2.39 0.01 0.00 0.04 0.00 0.00 34.50 32.08 4trx s PRO 75 CO 0.11 -0.01 -0.12 0.99 0.04 0.00 0.00 177.00 178.01 4trx s THR 76 N -1.92 1.05 -0.03 1.26 2.01 0.51 -2.65 115.64 115.87 4trx s THR 76 Ca 0.59 -0.46 0.00 0.00 0.31 0.00 0.00 61.69 62.13 4trx s THR 76 Cb -0.15 -0.95 -0.03 0.00 0.01 0.00 0.00 72.50 71.38 4trx s THR 76 CO 0.19 0.33 0.00 -0.36 -0.69 0.00 0.00 174.62 174.09 4trx s PHE 77 N 0.45 3.11 0.07 4.92 0.08 -0.95 -0.05 117.98 125.62 4trx s PHE 77 Ca -0.10 0.12 0.04 0.00 0.12 0.00 0.00 56.93 57.12 4trx s PHE 77 Cb -0.13 -1.72 -0.03 0.00 -0.57 0.00 0.00 43.02 40.57 4trx s PHE 77 CO 0.02 0.47 -0.11 -0.65 -0.10 0.00 0.00 175.22 174.85 4trx s GLN 78 N -1.32 0.73 -0.16 0.44 -0.21 -0.76 -2.08 119.66 116.30 4trx s GLN 78 Ca 0.17 -0.93 -0.00 0.00 0.02 0.00 0.00 55.36 54.62 4trx s GLN 78 Cb -0.11 -0.59 -0.00 0.00 1.00 0.00 0.00 33.01 33.30 4trx s GLN 78 CO 0.07 0.12 -0.14 -0.06 -2.12 0.00 0.00 175.29 173.17 4trx s PHE 79 N -1.55 2.81 -0.05 0.91 0.40 0.16 -1.08 117.98 119.58 4trx s PHE 79 Ca -0.03 -1.00 0.05 0.00 -0.60 0.00 0.00 56.93 55.34 4trx s PHE 79 Cb -0.09 -1.92 -0.00 0.00 0.51 0.00 0.00 43.02 41.53 4trx s PHE 79 CO 0.01 -0.46 -0.20 -0.06 0.70 0.00 0.00 175.22 175.21 4trx s PHE 80 N 0.87 1.96 -0.16 0.36 0.08 0.12 -1.70 117.98 119.51 4trx s PHE 80 Ca -0.04 -0.60 0.00 0.00 0.12 0.00 0.00 56.93 56.41 4trx s PHE 80 Cb -0.15 -1.31 0.03 0.00 -0.57 0.00 0.00 43.02 41.02 4trx s PHE 80 CO -0.01 -0.20 -0.09 0.21 -0.10 0.00 0.00 175.22 175.03 4trx s LYS 81 N 0.04 1.82 0.00 0.44 2.47 0.68 -1.79 119.74 123.39 4trx s LYS 81 Ca -0.05 -0.56 0.00 0.00 -1.56 0.00 0.00 55.97 53.79 4trx s LYS 81 Cb -0.13 -2.06 0.00 0.00 -1.46 0.00 0.00 37.83 34.18 4trx s LYS 81 CO 0.03 -0.35 0.00 1.17 0.16 0.00 0.00 175.35 176.36 4trx n LYS 82 N 4.81 0.00 0.00 4.03 4.81 -1.26 -1.83 118.16 128.73 4trx n LYS 82 Ca -0.14 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.30 4trx n LYS 82 Cb 0.48 -2.99 0.00 0.00 0.02 0.00 0.00 35.03 32.54 4trx n LYS 82 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 4trx n GLY 83 N -2.00 1.67 3.90 3.14 0.00 -1.26 -4.96 105.19 105.67 4trx n GLY 83 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 4trx n GLY 83 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 4trx s GLN 84 N 0.00 3.57 0.28 1.61 -2.07 -0.76 -5.02 119.66 117.27 4trx s GLN 84 Ca 0.00 -0.17 -0.28 0.00 -1.82 0.00 0.00 55.36 53.09 4trx s GLN 84 Cb 0.00 -2.95 -0.09 0.00 -1.09 0.00 0.00 33.01 28.88 4trx s GLN 84 CO 0.00 0.54 0.97 0.21 -1.32 0.00 0.00 175.29 175.69 4trx s LYS 85 N -2.42 4.69 0.00 9.60 2.20 -1.26 -0.23 119.74 132.32 4trx s LYS 85 Ca 0.37 1.47 0.00 0.00 -0.36 0.00 0.00 55.97 57.44 4trx s LYS 85 Cb -0.13 -3.05 0.00 0.00 -1.51 0.00 0.00 37.83 33.14 4trx s LYS 85 CO 0.24 0.36 0.00 1.33 -0.36 0.00 0.00 175.35 176.91 4trx n VAL 86 N 1.02 0.00 -3.84 4.02 0.24 -0.69 -4.90 118.33 114.18 4trx n VAL 86 Ca -0.00 0.00 -0.12 0.00 -2.04 0.00 0.00 64.34 62.18 4trx n VAL 86 Cb 0.48 -0.09 -0.10 0.00 -1.47 0.00 0.00 33.84 32.66 4trx n VAL 86 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 4trx s GLY 87 N -1.14 -0.02 -0.29 7.63 0.00 -1.22 -5.01 107.32 107.27 4trx s GLY 87 Ca 0.00 0.06 -0.12 0.00 0.00 0.00 0.00 44.72 44.65 4trx s GLY 87 CO 0.00 -0.08 0.70 1.85 0.00 0.00 0.00 173.10 175.57 4trx s GLU 88 N -1.07 0.60 -0.18 2.90 2.12 -1.26 0.39 118.70 122.20 4trx s GLU 88 Ca -0.12 1.31 -0.14 0.00 0.36 0.00 0.00 54.97 56.38 4trx s GLU 88 Cb -0.06 0.58 0.05 0.00 0.26 0.00 0.00 34.13 34.96 4trx s GLU 88 CO 0.02 -0.17 0.46 -0.59 -0.54 0.00 0.00 175.26 174.43 4trx s PHE 89 N 2.40 -0.56 0.47 5.30 -0.12 -0.88 -5.03 117.98 119.56 4trx s PHE 89 Ca -0.07 1.29 0.05 0.00 -0.05 0.00 0.00 56.93 58.16 4trx s PHE 89 Cb -0.09 0.22 -0.02 0.00 -0.63 0.00 0.00 43.02 42.51 4trx s PHE 89 CO -0.19 -0.29 0.21 -1.54 -0.05 0.00 0.00 175.22 173.36 4trx s SER 90 N 0.66 4.42 0.00 1.98 1.04 -1.26 -2.24 113.70 118.30 4trx s SER 90 Ca -0.03 -1.25 0.00 0.00 0.48 0.00 0.00 55.95 55.14 4trx s SER 90 Cb -0.05 -0.00 0.00 0.00 0.10 0.00 0.00 66.02 66.07 4trx s SER 90 CO -0.04 -0.77 0.00 0.61 0.98 0.00 0.00 173.24 174.01 4trx n GLY 91 N -1.40 3.80 3.56 7.32 0.00 -1.09 -4.93 105.19 112.46 4trx n GLY 91 Ca -0.05 -1.39 -0.13 0.00 0.00 0.00 0.00 46.02 44.45 4trx n GLY 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 4trx n ALA 92 N -0.02 0.33 -2.91 4.61 0.00 -1.26 -4.85 120.51 116.40 4trx n ALA 92 Ca 0.00 -1.50 -0.12 0.00 0.00 0.00 0.00 53.44 51.82 4trx n ALA 92 Cb 0.00 -3.27 -0.14 0.00 0.00 0.00 0.00 19.45 16.05 4trx n ALA 92 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 4trx s ASN 93 N 10.32 -0.04 0.02 0.00 3.04 -1.26 -5.07 114.94 121.96 4trx s ASN 93 Ca 0.92 0.07 -0.04 0.00 0.04 0.00 0.00 52.86 53.85 4trx s ASN 93 Cb -0.14 0.08 -0.02 0.00 -1.54 0.00 0.00 41.25 39.64 4trx s ASN 93 CO 0.11 -0.02 -0.08 0.29 -3.04 0.00 0.00 177.10 174.36 4trx n LYS 94 N 3.02 0.12 0.03 0.43 4.01 -1.26 -4.48 118.16 120.02 4trx n LYS 94 Ca -0.12 0.05 0.01 0.00 -0.51 0.00 0.00 58.31 57.73 4trx n LYS 94 Cb 0.60 -0.70 0.06 0.00 -0.51 0.00 0.00 35.03 34.47 4trx n LYS 94 CO 0.00 0.00 0.00 -1.91 -1.11 0.00 0.00 177.40 174.38 4trx n GLU 95 N -3.63 0.01 -0.08 1.97 2.13 -1.26 -0.97 120.64 118.82 4trx n GLU 95 Ca -0.05 0.34 -0.16 0.00 0.66 0.00 0.00 57.16 57.95 4trx n GLU 95 Cb 0.20 -1.77 -0.11 0.00 0.27 0.00 0.00 31.44 30.02 4trx n GLU 95 CO 0.00 0.00 0.00 -0.22 -0.41 0.00 0.00 177.13 176.50 4trx h LYS 96 N 0.00 0.00 -0.83 5.31 3.64 -2.00 -3.31 116.57 119.38 4trx h LYS 96 Ca 0.00 0.00 0.17 0.00 -1.27 0.00 0.00 60.65 59.55 4trx h LYS 96 Cb 0.45 0.00 -0.10 0.00 -0.41 0.00 0.00 32.23 32.17 4trx h LYS 96 CO 0.00 0.89 0.37 -0.07 -2.27 0.00 0.00 179.45 178.36 4trx h LEU 97 N -1.00 0.36 0.27 5.20 3.38 -1.28 0.12 115.31 122.37 4trx h LEU 97 Ca -0.13 0.12 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 4trx h LEU 97 Cb 1.03 0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.84 4trx h LEU 97 CO -0.08 0.10 -0.33 -0.08 0.09 0.00 0.00 178.44 178.14 4trx h GLU 98 N 0.48 -0.59 0.11 1.13 4.81 -1.69 0.34 114.58 119.17 4trx h GLU 98 Ca 0.48 0.04 0.02 0.00 -0.13 0.00 0.00 59.36 59.76 4trx h GLU 98 Cb 0.77 0.14 -0.03 0.00 0.63 0.00 0.00 28.75 30.26 4trx h GLU 98 CO -0.44 -0.40 -0.26 0.00 -0.73 0.00 0.00 179.01 177.19 4trx h ALA 99 N -1.13 -0.43 -0.83 2.92 0.00 -1.51 -1.60 119.26 116.68 4trx h ALA 99 Ca -0.03 -0.04 0.18 0.00 0.00 0.00 0.00 54.91 55.02 4trx h ALA 99 Cb 0.55 0.42 -0.11 0.00 0.00 0.00 0.00 17.79 18.65 4trx h ALA 99 CO -0.08 -0.79 0.33 1.15 0.00 0.00 0.00 179.25 179.87 4trx h THR 100 N -0.46 0.56 -0.18 0.00 2.02 -0.63 0.93 112.91 115.14 4trx h THR 100 Ca 0.03 -0.14 -0.01 0.00 0.77 0.00 0.00 66.41 67.06 4trx h THR 100 Cb 0.49 0.11 -0.01 0.00 -1.74 0.00 0.00 68.15 67.00 4trx h THR 100 CO -0.15 0.08 0.07 0.40 0.37 0.00 0.00 175.52 176.28 4trx h ILE 101 N 0.42 1.08 0.00 3.11 2.04 0.45 0.54 117.51 125.16 4trx h ILE 101 Ca 0.48 -0.25 0.00 0.00 1.00 0.00 0.00 64.86 66.09 4trx h ILE 101 Cb 0.83 0.87 0.00 0.00 -0.74 0.00 0.00 36.82 37.77 4trx h ILE 101 CO -0.47 0.09 0.00 -3.20 0.00 0.00 0.00 178.15 174.57 4trx n ASN 102 N -4.45 0.33 -0.04 1.72 2.85 0.32 0.10 115.26 116.09 4trx n ASN 102 Ca -0.00 0.60 -0.15 0.00 -0.11 0.00 0.00 54.58 54.92 4trx n ASN 102 Cb 0.12 -0.66 -0.12 0.00 1.24 0.00 0.00 39.78 40.36 4trx n ASN 102 CO 0.00 0.00 0.00 -0.08 -2.11 0.00 0.00 177.26 175.07 4trx h GLU 103 N 0.00 0.07 -0.44 1.20 4.57 0.68 -3.35 114.58 117.31 4trx h GLU 103 Ca 0.00 -0.09 0.00 0.00 -1.18 0.00 0.00 59.36 58.09 4trx h GLU 103 Cb 0.24 0.03 0.00 0.00 -0.16 0.00 0.00 28.75 28.86 4trx h GLU 103 CO 0.00 0.93 0.00 1.28 -1.18 0.00 0.00 179.01 180.04 4trx n LEU 104 N -4.58 3.40 0.00 1.64 4.77 -1.07 -5.14 117.00 116.02 4trx n LEU 104 Ca -0.10 -2.15 0.00 0.00 -0.03 0.00 0.00 56.01 53.73 4trx n LEU 104 Cb 0.48 -0.35 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 4trx n LEU 104 CO 0.36 0.78 0.09 0.55 -1.33 0.00 0.00 177.39 177.84