#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 4trx n VAL 2 N 0.00 1.01 -3.30 1.12 0.31 -1.25 -4.24 118.33 111.98 4trx n VAL 2 Ca 0.00 -0.25 0.00 0.00 -0.01 0.00 0.00 64.34 64.08 4trx n VAL 2 Cb 0.00 -1.69 0.00 0.00 -0.91 0.00 0.00 33.84 31.24 4trx n VAL 2 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 4trx n LYS 3 N 2.05 0.00 -4.03 5.55 4.81 -1.14 -4.99 118.16 120.41 4trx n LYS 3 Ca 0.10 0.00 -0.14 0.00 -0.87 0.00 0.00 58.31 57.40 4trx n LYS 3 Cb 0.34 0.00 -0.14 0.00 0.02 0.00 0.00 35.03 35.25 4trx n LYS 3 CO 0.00 0.00 0.00 -1.14 1.17 0.00 0.00 177.40 177.43 4trx s GLN 4 N -0.75 0.24 0.25 1.64 0.74 -1.26 -1.16 119.66 119.36 4trx s GLN 4 Ca 0.00 -0.11 0.00 0.00 0.05 0.00 0.00 55.36 55.30 4trx s GLN 4 Cb 0.00 -0.22 0.05 0.00 1.10 0.00 0.00 33.01 33.94 4trx s GLN 4 CO 0.00 0.06 0.35 -0.89 -0.55 0.00 0.00 175.29 174.26 4trx n ILE 5 N 2.98 0.00 0.00 -2.34 2.08 -1.21 -4.95 119.36 115.92 4trx n ILE 5 Ca -0.13 -0.58 0.00 0.00 0.56 0.00 0.00 62.75 62.60 4trx n ILE 5 Cb 0.59 -1.15 0.00 0.00 -0.75 0.00 0.00 39.64 38.32 4trx n ILE 5 CO 0.00 0.00 0.00 -1.84 0.56 0.00 0.00 176.55 175.27 4trx n GLU 6 N -1.64 0.00 -4.18 0.38 0.28 -1.26 -4.83 120.64 109.39 4trx n GLU 6 Ca 0.06 0.00 -0.16 0.00 -0.16 0.00 0.00 57.16 56.89 4trx n GLU 6 Cb 0.21 -0.16 -0.06 0.00 1.43 0.00 0.00 31.44 32.85 4trx n GLU 6 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 177.13 175.43 4trx s SER 7 N -1.43 1.17 -0.02 -1.84 1.04 -1.26 -4.50 113.70 106.87 4trx s SER 7 Ca 0.00 -1.59 -0.24 0.00 0.48 0.00 0.00 55.95 54.61 4trx s SER 7 Cb 0.00 0.59 -0.20 0.00 0.10 0.00 0.00 66.02 66.51 4trx s SER 7 CO 0.00 -1.15 1.19 0.50 0.98 0.00 0.00 173.24 174.76 4trx h LYS 8 N 2.17 0.17 -1.06 4.02 3.64 -1.96 -1.95 116.57 121.59 4trx h LYS 8 Ca -0.27 -0.12 0.28 0.00 -1.27 0.00 0.00 60.65 59.27 4trx h LYS 8 Cb 1.24 0.02 -0.09 0.00 -0.41 0.00 0.00 32.23 32.99 4trx h LYS 8 CO 0.39 0.73 0.70 1.15 -2.27 0.00 0.00 179.45 180.15 4trx h THR 9 N -0.37 0.50 0.21 1.00 2.02 -2.00 -0.59 112.91 113.68 4trx h THR 9 Ca -0.00 -0.11 -0.01 0.00 0.77 0.00 0.00 66.41 67.06 4trx h THR 9 Cb 0.74 0.15 0.00 0.00 -1.74 0.00 0.00 68.15 67.30 4trx h THR 9 CO 0.03 0.06 -0.10 0.00 0.37 0.00 0.00 175.52 175.88 4trx h ALA 10 N 1.59 -0.28 -1.70 6.16 0.00 -1.95 -2.79 119.26 120.29 4trx h ALA 10 Ca 0.59 -0.14 0.49 0.00 0.00 0.00 0.00 54.91 55.85 4trx h ALA 10 Cb 1.65 0.11 -0.07 0.00 0.00 0.00 0.00 17.79 19.48 4trx h ALA 10 CO -0.25 -0.29 1.22 0.35 0.00 0.00 0.00 179.25 180.28 4trx h PHE 11 N -1.02 0.01 0.00 0.00 3.57 -0.41 0.48 116.94 119.58 4trx h PHE 11 Ca -0.03 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.47 4trx h PHE 11 Cb 0.38 -0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.11 4trx h PHE 11 CO 0.04 -0.00 -0.02 0.37 -2.23 0.00 0.00 178.31 176.47 4trx h GLN 12 N 0.00 0.01 -0.10 1.11 5.75 -1.14 -3.12 115.11 117.62 4trx h GLN 12 Ca 0.81 -0.01 -0.07 0.00 -0.15 0.00 0.00 58.65 59.23 4trx h GLN 12 Cb 3.24 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 31.78 4trx h GLN 12 CO -0.02 0.81 -0.24 0.93 -2.65 0.00 0.00 178.83 177.66 4trx h GLU 13 N -0.79 0.17 -0.60 1.69 4.39 0.07 -2.57 114.58 116.95 4trx h GLU 13 Ca -0.00 -0.05 -0.06 0.00 0.34 0.00 0.00 59.36 59.59 4trx h GLU 13 Cb 0.82 -0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 29.42 4trx h GLU 13 CO 0.00 0.41 0.14 0.00 -1.16 0.00 0.00 179.01 178.39 4trx h ALA 14 N 1.60 1.12 0.00 3.43 0.00 -0.68 -0.22 119.26 124.51 4trx h ALA 14 Ca 0.03 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.71 4trx h ALA 14 Cb 0.52 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.07 4trx h ALA 14 CO 0.04 0.59 0.00 1.28 0.00 0.00 0.00 179.25 181.16 4trx n LEU 15 N -4.25 0.55 0.03 0.00 4.77 -0.99 -2.38 117.00 114.73 4trx n LEU 15 Ca 0.04 0.59 0.11 0.00 -0.03 0.00 0.00 56.01 56.72 4trx n LEU 15 Cb 0.24 -0.45 -0.05 0.00 -2.33 0.00 0.00 43.42 40.83 4trx n LEU 15 CO 0.41 -0.29 -0.23 -0.67 -1.33 0.00 0.00 177.39 175.28 4trx n ASP 16 N -2.05 0.50 -0.05 -1.43 2.03 -0.47 -4.00 116.55 111.08 4trx n ASP 16 Ca 0.04 -0.11 0.11 0.00 0.52 0.00 0.00 54.79 55.35 4trx n ASP 16 Cb 0.32 1.11 0.02 0.00 -0.72 0.00 0.00 41.12 41.85 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 -2.00 4.25 0.85 -1.67 0.00 -0.22 -3.99 120.51 117.73 4trx n ALA 17 Ca -0.00 -0.52 0.04 0.00 0.00 0.00 0.00 53.44 52.96 4trx n ALA 17 Cb 0.49 -0.89 0.14 0.00 0.00 0.00 0.00 19.45 19.19 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 -1.36 2.62 -0.68 0.00 0.00 -1.00 -4.98 120.51 115.11 4trx n ALA 18 Ca 0.05 -0.57 0.00 0.00 0.00 0.00 0.00 53.44 52.92 4trx n ALA 18 Cb 0.34 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.79 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 0.75 2.25 0.00 0.00 0.00 -1.26 -3.35 105.19 103.59 4trx n GLY 19 Ca 0.10 0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.23 4trx n GLY 19 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 4trx n ASP 20 N 10.51 0.00 -4.74 1.61 2.03 -1.26 -4.62 116.55 120.08 4trx n ASP 20 Ca 0.00 -1.00 -0.30 0.00 0.52 0.00 0.00 54.79 54.01 4trx n ASP 20 Cb 0.00 0.00 0.12 0.00 -0.72 0.00 0.00 41.12 40.52 4trx n ASP 20 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 4trx s LYS 21 N 0.00 1.56 0.18 -0.67 1.02 -1.21 -4.34 119.74 116.28 4trx s LYS 21 Ca 0.00 0.90 -0.32 0.00 0.02 0.00 0.00 55.97 56.56 4trx s LYS 21 Cb 0.00 -1.84 -0.16 0.00 -0.52 0.00 0.00 37.83 35.32 4trx s LYS 21 CO 0.00 -2.05 1.14 1.28 -0.92 0.00 0.00 175.35 174.80 4trx n LEU 22 N -3.77 1.49 -3.82 3.17 4.32 -1.26 -4.64 117.00 112.49 4trx n LEU 22 Ca 0.07 1.14 -0.30 0.00 -0.02 0.00 0.00 56.01 56.91 4trx n LEU 22 Cb 0.55 -1.21 -0.15 0.00 -1.62 0.00 0.00 43.42 40.98 4trx n LEU 22 CO 0.55 -1.34 -0.34 -0.69 -1.22 0.00 0.00 177.39 174.34 4trx s VAL 23 N -0.27 1.21 -0.22 4.08 1.01 -0.86 -2.46 120.40 122.89 4trx s VAL 23 Ca 0.72 -1.49 -0.10 0.00 0.00 0.00 0.00 61.98 61.11 4trx s VAL 23 Cb -0.85 -1.83 -0.05 0.00 0.00 0.00 0.00 36.38 33.65 4trx s VAL 23 CO 0.53 -0.55 0.13 -0.69 0.00 0.00 0.00 175.10 174.52 4trx s VAL 24 N 1.47 5.21 0.13 2.92 1.01 -1.04 -0.63 120.40 129.47 4trx s VAL 24 Ca 0.07 0.13 0.02 0.00 0.00 0.00 0.00 61.98 62.20 4trx s VAL 24 Cb -0.18 -3.41 -0.04 0.00 0.00 0.00 0.00 36.38 32.76 4trx s VAL 24 CO -0.18 0.38 0.26 -0.69 0.00 0.00 0.00 175.10 174.87 4trx s VAL 25 N 0.86 5.31 -0.53 2.92 1.01 0.21 -2.59 120.40 127.58 4trx s VAL 25 Ca 0.07 -0.64 0.04 0.00 0.00 0.00 0.00 61.98 61.44 4trx s VAL 25 Cb -0.13 -3.70 0.14 0.00 0.00 0.00 0.00 36.38 32.69 4trx s VAL 25 CO 0.03 -0.05 0.30 -0.62 0.00 0.00 0.00 175.10 174.76 4trx s ASP 26 N -3.08 4.21 -0.90 3.32 2.15 -0.74 -1.92 116.67 119.71 4trx s ASP 26 Ca 0.34 -3.08 -0.25 0.00 0.43 0.00 0.00 52.55 50.00 4trx s ASP 26 Cb -0.11 -1.50 0.03 0.00 -0.30 0.00 0.00 42.92 41.03 4trx s ASP 26 CO 0.28 -0.21 1.51 -0.36 -0.17 0.00 0.00 175.17 176.22 4trx s PHE 27 N -0.36 2.29 0.00 -5.34 0.08 0.02 -2.29 117.98 112.38 4trx s PHE 27 Ca 0.19 -0.29 0.00 0.00 0.12 0.00 0.00 56.93 56.95 4trx s PHE 27 Cb -0.21 -4.54 0.00 0.00 -0.57 0.00 0.00 43.02 37.69 4trx s PHE 27 CO -0.03 -1.98 0.00 0.45 -0.10 0.00 0.00 175.22 173.56 4trx n SER 28 N 10.05 0.00 -4.49 1.36 2.88 -1.01 -0.99 113.62 121.42 4trx n SER 28 Ca 0.25 -0.60 -0.35 0.00 -1.33 0.00 0.00 58.87 56.84 4trx n SER 28 Cb 0.50 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.84 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 -1.92 3.15 -1.71 -1.46 0.00 -1.26 -2.53 121.76 116.03 4trx s ALA 29 Ca 0.00 -0.97 0.28 0.00 0.00 0.00 0.00 51.96 51.27 4trx s ALA 29 Cb 0.00 -1.89 1.01 0.00 0.00 0.00 0.00 23.12 22.24 4trx s ALA 29 CO 0.00 -0.16 1.73 -2.37 0.00 0.00 0.00 175.76 174.95 4trx n THR 30 N 4.26 0.00 -0.11 0.00 5.66 -1.26 -3.98 114.28 118.85 4trx n THR 30 Ca -0.17 -0.09 -0.19 0.00 -3.05 0.00 0.00 64.05 60.55 4trx n THR 30 Cb 0.52 0.14 -0.09 0.00 -1.55 0.00 0.00 70.33 69.34 4trx n THR 30 CO 0.00 0.00 0.00 -2.67 -3.05 0.00 0.00 175.07 169.35 4trx n TRP 31 N -0.79 0.00 -0.57 1.09 4.27 -1.26 -4.93 117.44 115.24 4trx n TRP 31 Ca 0.13 0.00 -0.20 0.00 -3.89 0.00 0.00 57.50 53.55 4trx n TRP 31 Cb 0.31 -0.81 0.14 0.00 -1.36 0.00 0.00 31.31 29.59 4trx n TRP 31 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 4trx n GLY 33 N 2.46 -0.47 0.49 0.00 0.00 -1.26 -4.09 105.19 102.32 4trx n GLY 33 Ca 0.05 0.00 0.31 0.00 0.00 0.00 0.00 46.02 46.37 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 0.00 0.00 -0.15 1.61 0.11 -1.96 0.20 132.00 131.81 4trx h PRO 34 Ca 0.00 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 65.95 4trx h PRO 34 Cb 0.00 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.12 4trx h PRO 34 CO 0.00 0.00 -0.55 0.00 -0.21 0.00 0.00 178.00 177.24 4trx n LYS 36 N -4.15 1.41 0.03 0.00 4.81 0.55 -3.49 118.16 117.32 4trx n LYS 36 Ca -0.07 -0.63 -0.07 0.00 -0.87 0.00 0.00 58.31 56.67 4trx n LYS 36 Cb 0.62 -1.18 -0.12 0.00 0.02 0.00 0.00 35.03 34.37 4trx n LYS 36 CO 0.00 0.00 0.00 1.98 1.17 0.00 0.00 177.40 180.55 4trx h MET 37 N 1.07 0.00 -0.47 1.64 4.05 -0.86 -3.25 114.93 117.12 4trx h MET 37 Ca 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 4trx h MET 37 Cb 0.24 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.04 4trx h MET 37 CO 0.00 0.73 0.00 -0.89 0.23 0.00 0.00 176.91 176.98 4trx n ILE 38 N -3.20 0.62 -0.11 1.77 5.41 -1.23 -4.34 119.36 118.28 4trx n ILE 38 Ca -0.07 -0.75 -0.12 0.00 1.00 0.00 0.00 62.75 62.81 4trx n ILE 38 Cb 0.97 0.70 -0.03 0.00 -0.71 0.00 0.00 39.64 40.57 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 3.99 0.72 0.00 0.38 1.57 -1.69 -2.62 116.57 118.93 4trx h LYS 39 Ca 0.00 -0.32 0.00 0.00 -1.87 0.00 0.00 60.65 58.46 4trx h LYS 39 Cb 0.89 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.18 4trx h LYS 39 CO 0.00 0.93 0.01 -2.30 -0.57 0.00 0.00 179.45 177.52 4trx n PRO 40 N -4.32 0.00 -0.10 3.15 -0.02 -1.26 0.14 135.00 132.59 4trx n PRO 40 Ca -0.03 0.10 -0.20 0.00 -2.02 0.00 0.00 63.50 61.35 4trx n PRO 40 Cb 0.41 -1.51 -0.07 0.00 -0.02 0.00 0.00 33.50 32.31 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 -1.08 0.00 0.09 6.00 3.01 -1.01 -3.93 117.46 120.55 4trx n PHE 41 Ca 0.00 0.00 -0.14 0.00 1.01 0.00 0.00 57.45 58.32 4trx n PHE 41 Cb 0.01 -0.70 -0.10 0.00 -0.01 0.00 0.00 39.48 38.68 4trx n PHE 41 CO 0.00 0.00 0.00 0.35 1.01 0.00 0.00 176.76 178.12 4trx h PHE 42 N -0.74 0.50 0.00 1.38 3.57 -1.17 -3.13 116.94 117.35 4trx h PHE 42 Ca -0.46 -0.33 0.00 0.00 3.53 0.00 0.00 57.97 60.71 4trx h PHE 42 Cb 1.37 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 40.08 4trx h PHE 42 CO -0.10 1.22 0.00 1.58 -2.23 0.00 0.00 178.31 178.78 4trx n HIS 43 N -3.60 0.31 0.53 0.41 -0.00 0.37 -2.78 115.22 110.46 4trx n HIS 43 Ca -0.07 0.10 0.12 0.00 0.46 0.00 0.00 57.72 58.33 4trx n HIS 43 Cb 0.95 -0.66 0.18 0.00 -0.12 0.00 0.00 29.99 30.34 4trx n HIS 43 CO 0.00 0.00 0.00 0.66 0.46 0.00 0.00 176.34 177.46 4trx h SER 44 N 0.00 0.00 0.51 0.26 4.64 -1.61 -3.26 113.55 114.09 4trx h SER 44 Ca 0.00 -0.17 0.00 0.00 -0.47 0.00 0.00 61.79 61.15 4trx h SER 44 Cb 0.49 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.58 4trx h SER 44 CO 0.00 0.08 0.00 0.18 -0.87 0.00 0.00 176.83 176.22 4trx n LEU 45 N -2.20 0.00 -0.08 5.97 4.77 -1.12 -3.06 117.00 121.28 4trx n LEU 45 Ca 0.03 0.44 0.25 0.00 -0.03 0.00 0.00 56.01 56.70 4trx n LEU 45 Cb 0.45 -0.44 0.72 0.00 -2.33 0.00 0.00 43.42 41.82 4trx n LEU 45 CO 0.36 -0.19 1.23 -1.28 -1.33 0.00 0.00 177.39 176.18 4trx h SER 46 N 0.00 0.00 0.00 -1.43 0.87 -1.75 -1.62 113.55 109.61 4trx h SER 46 Ca 0.00 0.00 -0.29 0.00 -1.23 0.00 0.00 61.79 60.27 4trx h SER 46 Cb 0.25 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 62.16 4trx h SER 46 CO 0.00 0.00 -2.08 -0.62 -0.53 0.00 0.00 176.83 173.60 4trx n GLU 47 N -4.12 0.47 0.25 2.24 -0.58 -1.17 -4.31 120.64 113.42 4trx n GLU 47 Ca 0.14 0.11 -0.12 0.00 -0.42 0.00 0.00 57.16 56.88 4trx n GLU 47 Cb 0.82 -1.37 -0.06 0.00 -0.57 0.00 0.00 31.44 30.27 4trx n GLU 47 CO 0.00 0.00 0.00 -0.22 -0.48 0.00 0.00 177.13 176.43 4trx h LYS 48 N -0.05 -0.68 -2.24 3.49 3.11 -1.56 -3.05 116.57 115.59 4trx h LYS 48 Ca -0.43 0.05 -0.65 0.00 -2.81 0.00 0.00 60.65 56.81 4trx h LYS 48 Cb 1.64 0.16 -0.18 0.00 -1.00 0.00 0.00 32.23 32.85 4trx h LYS 48 CO -0.08 -0.45 1.23 0.66 -2.81 0.00 0.00 179.45 177.99 4trx n TYR 49 N -4.19 2.22 0.00 1.91 4.01 -0.64 -4.66 117.16 115.80 4trx n TYR 49 Ca -0.09 -2.35 0.00 0.00 -0.16 0.00 0.00 57.90 55.30 4trx n TYR 49 Cb 0.30 -1.50 0.00 0.00 -0.31 0.00 0.00 39.34 37.83 4trx n TYR 49 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 4trx n SER 50 N 0.91 0.00 0.01 7.72 3.41 -1.15 -0.26 113.62 124.25 4trx n SER 50 Ca 0.54 0.26 -0.08 0.00 -0.26 0.00 0.00 58.87 59.33 4trx n SER 50 Cb 0.38 -0.26 -0.13 0.00 -0.26 0.00 0.00 64.21 63.93 4trx n SER 50 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 175.04 173.75 4trx h ASN 51 N 0.00 0.01 -2.91 4.04 -1.24 -1.90 -3.45 115.58 110.14 4trx h ASN 51 Ca 0.00 -0.02 -0.57 0.00 0.71 0.00 0.00 56.30 56.42 4trx h ASN 51 Cb 0.09 -0.00 -0.03 0.00 0.73 0.00 0.00 38.32 39.10 4trx h ASN 51 CO 0.00 1.02 -0.40 -0.69 -1.29 0.00 0.00 177.43 176.07 4trx s VAL 52 N -2.64 5.27 -0.07 2.57 1.01 0.63 -4.86 120.40 122.31 4trx s VAL 52 Ca -0.03 -0.31 -0.12 0.00 0.00 0.00 0.00 61.98 61.52 4trx s VAL 52 Cb 0.09 -3.67 -0.05 0.00 0.00 0.00 0.00 36.38 32.74 4trx s VAL 52 CO 0.82 -0.01 0.30 -0.63 0.00 0.00 0.00 175.10 175.58 4trx s ILE 53 N -1.68 5.24 -0.00 2.22 1.09 -1.03 -3.93 121.20 123.10 4trx s ILE 53 Ca 0.37 0.58 0.06 0.00 -1.10 0.00 0.00 60.65 60.56 4trx s ILE 53 Cb -0.12 -3.60 -0.02 0.00 -1.06 0.00 0.00 42.46 37.67 4trx s ILE 53 CO 0.27 0.55 -0.19 -0.36 -0.10 0.00 0.00 174.94 175.12 4trx s PHE 54 N -0.74 1.71 0.14 3.97 0.40 -1.26 -2.50 117.98 119.70 4trx s PHE 54 Ca 0.19 -0.33 0.06 0.00 -0.60 0.00 0.00 56.93 56.26 4trx s PHE 54 Cb -0.14 -1.09 -0.04 0.00 0.51 0.00 0.00 43.02 42.26 4trx s PHE 54 CO 0.08 -0.01 -0.14 -0.51 0.70 0.00 0.00 175.22 175.35 4trx s LEU 55 N -0.57 2.45 -0.25 -0.37 1.02 -1.07 -2.89 118.68 117.00 4trx s LEU 55 Ca 0.07 -0.88 -0.01 0.00 0.02 0.00 0.00 54.13 53.33 4trx s LEU 55 Cb -0.08 -0.56 0.07 0.00 0.02 0.00 0.00 46.19 45.65 4trx s LEU 55 CO -0.00 -0.17 0.04 -0.70 0.02 0.00 0.00 176.35 175.53 4trx s GLU 56 N -2.99 0.93 -0.11 1.70 2.12 -0.31 -1.79 118.70 118.25 4trx s GLU 56 Ca 0.13 -0.82 -0.13 0.00 0.36 0.00 0.00 54.97 54.50 4trx s GLU 56 Cb -0.03 -2.21 -0.05 0.00 0.26 0.00 0.00 34.13 32.10 4trx s GLU 56 CO 0.03 -0.76 0.32 0.08 -0.54 0.00 0.00 175.26 174.39 4trx s VAL 57 N 1.64 5.25 -0.34 3.70 1.01 -0.97 -3.34 120.40 127.35 4trx s VAL 57 Ca 0.02 0.61 -0.14 0.00 0.00 0.00 0.00 61.98 62.47 4trx s VAL 57 Cb -0.18 -3.64 -0.02 0.00 0.00 0.00 0.00 36.38 32.55 4trx s VAL 57 CO -0.13 0.47 0.30 -0.62 0.00 0.00 0.00 175.10 175.11 4trx s ASP 58 N -0.14 6.12 0.00 3.32 2.15 -1.26 -2.40 116.67 124.47 4trx s ASP 58 Ca 0.19 -0.31 0.00 0.00 0.43 0.00 0.00 52.55 52.86 4trx s ASP 58 Cb -0.14 -2.17 0.00 0.00 -0.30 0.00 0.00 42.92 40.31 4trx s ASP 58 CO 0.07 -0.28 0.64 1.33 -0.17 0.00 0.00 175.17 176.76 4trx n VAL 59 N 5.17 0.63 -0.02 1.11 0.24 -1.05 -2.23 118.33 122.19 4trx n VAL 59 Ca -0.11 0.00 -0.04 0.00 -2.04 0.00 0.00 64.34 62.15 4trx n VAL 59 Cb 0.50 -0.81 -0.01 0.00 -1.47 0.00 0.00 33.84 32.05 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 0.66 0.36 -0.89 -1.34 2.03 -1.26 -4.61 116.55 111.49 4trx n ASP 60 Ca 0.00 0.06 0.10 0.00 0.52 0.00 0.00 54.79 55.47 4trx n ASP 60 Cb 0.32 -0.14 0.14 0.00 -0.72 0.00 0.00 41.12 40.72 4trx n ASP 60 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 4trx n ASP 61 N -3.21 2.94 -2.56 1.67 2.03 -1.20 -4.40 116.55 111.81 4trx n ASP 61 Ca -0.07 -1.88 -0.09 0.00 0.52 0.00 0.00 54.79 53.27 4trx n ASP 61 Cb 0.51 -0.12 0.04 0.00 -0.72 0.00 0.00 41.12 40.83 4trx n ASP 61 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 4trx h GLN 63 N 2.51 0.00 0.43 0.00 7.50 -1.77 -2.17 115.11 121.61 4trx h GLN 63 Ca 0.04 0.00 -0.02 0.00 0.50 0.00 0.00 58.65 59.17 4trx h GLN 63 Cb 1.33 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.87 4trx h GLN 63 CO 0.41 0.00 -0.21 0.38 -1.50 0.00 0.00 178.83 177.91 4trx h ASP 64 N 0.00 -0.49 -0.72 1.46 2.03 -1.94 -0.87 116.42 115.89 4trx h ASP 64 Ca 0.00 -0.03 0.08 0.00 -0.73 0.00 0.00 57.03 56.35 4trx h ASP 64 Cb 0.29 0.13 -0.07 0.00 -0.83 0.00 0.00 39.33 38.85 4trx h ASP 64 CO 0.00 -0.06 0.38 0.58 -1.03 0.00 0.00 179.24 179.12 4trx h VAL 65 N -1.12 0.89 -0.19 4.15 2.07 -1.75 -0.46 116.25 119.84 4trx h VAL 65 Ca -0.06 -0.23 0.01 0.00 0.82 0.00 0.00 66.70 67.24 4trx h VAL 65 Cb 0.49 0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 30.42 4trx h VAL 65 CO 0.10 0.12 0.12 0.00 0.02 0.00 0.00 177.57 177.92 4trx h ALA 66 N 1.41 0.24 0.00 1.67 0.00 -1.53 0.11 119.26 121.16 4trx h ALA 66 Ca 0.35 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.25 4trx h ALA 66 Cb 0.32 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.05 4trx h ALA 66 CO -0.24 -0.30 0.00 0.77 0.00 0.00 0.00 179.25 179.48 4trx h SER 67 N 0.24 0.00 0.17 0.00 0.02 -0.04 0.07 113.55 114.01 4trx h SER 67 Ca 0.07 0.00 -0.20 0.00 -0.84 0.00 0.00 61.79 60.83 4trx h SER 67 Cb -0.01 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.53 4trx h SER 67 CO -0.03 0.00 -0.75 -0.08 -1.14 0.00 0.00 176.83 174.83 4trx h GLU 68 N 0.00 0.49 -0.01 3.45 4.81 0.79 -2.83 114.58 121.28 4trx h GLU 68 Ca 0.00 -0.41 0.00 0.00 -0.13 0.00 0.00 59.36 58.82 4trx h GLU 68 Cb 0.06 0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.53 4trx h GLU 68 CO 0.00 1.04 -0.22 0.00 -0.73 0.00 0.00 179.01 179.10 4trx n GLU 70 N -0.40 -6.87 -3.31 0.00 0.00 -0.55 -4.98 120.64 104.53 4trx n GLU 70 Ca 0.13 0.80 -0.29 0.00 0.00 0.00 0.00 57.16 57.80 4trx n GLU 70 Cb 0.36 -5.77 -0.03 0.00 0.00 0.00 0.00 31.44 26.00 4trx n GLU 70 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.13 177.21 4trx s VAL 71 N -3.37 4.99 0.00 6.31 1.01 -1.17 -4.98 120.40 123.19 4trx s VAL 71 Ca 0.27 0.16 0.00 0.00 0.00 0.00 0.00 61.98 62.42 4trx s VAL 71 Cb -0.12 -3.71 0.00 0.00 0.00 0.00 0.00 36.38 32.54 4trx s VAL 71 CO 0.75 -0.30 0.69 1.17 0.00 0.00 0.00 175.10 177.41 4trx n LYS 72 N -0.83 0.00 -3.70 2.72 0.00 -1.26 -4.85 118.16 110.25 4trx n LYS 72 Ca -0.01 -0.62 -0.13 0.00 0.00 0.00 0.00 58.31 57.55 4trx n LYS 72 Cb 0.54 -0.39 -0.09 0.00 0.00 0.00 0.00 35.03 35.09 4trx n LYS 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 4trx s THR 74 N 0.36 2.06 0.44 0.00 -4.23 -1.26 -4.11 115.64 108.90 4trx s THR 74 Ca -0.01 -1.97 -0.21 0.00 -1.18 0.00 0.00 61.69 58.33 4trx s THR 74 Cb -0.04 -1.97 -0.11 0.00 1.34 0.00 0.00 72.50 71.73 4trx s THR 74 CO -0.00 -0.22 0.95 -2.16 -0.54 0.00 0.00 174.62 172.65 4trx s PRO 75 N -2.73 4.21 -0.12 3.99 0.04 -1.26 -4.95 135.00 134.18 4trx s PRO 75 Ca 0.18 1.11 -0.01 0.00 0.04 0.00 0.00 61.00 62.33 4trx s PRO 75 Cb -0.07 -2.18 0.03 0.00 0.04 0.00 0.00 34.50 32.33 4trx s PRO 75 CO 0.08 -0.05 -0.05 0.99 0.04 0.00 0.00 177.00 178.02 4trx s THR 76 N -2.20 0.87 -0.05 1.26 2.01 -0.16 -2.69 115.64 114.67 4trx s THR 76 Ca 0.62 -0.29 -0.13 0.00 0.31 0.00 0.00 61.69 62.21 4trx s THR 76 Cb -0.09 -0.98 -0.05 0.00 0.01 0.00 0.00 72.50 71.39 4trx s THR 76 CO 0.14 0.26 0.33 -0.36 -0.69 0.00 0.00 174.62 174.30 4trx s PHE 77 N 1.76 3.66 0.12 4.92 0.08 -0.96 -0.80 117.98 126.76 4trx s PHE 77 Ca 0.04 0.83 0.08 0.00 0.12 0.00 0.00 56.93 58.00 4trx s PHE 77 Cb -0.13 -2.21 -0.04 0.00 -0.57 0.00 0.00 43.02 40.07 4trx s PHE 77 CO -0.07 0.62 -0.19 -1.14 -0.10 0.00 0.00 175.22 174.33 4trx s GLN 78 N -0.86 1.11 -0.19 0.44 2.00 -0.81 -1.90 119.66 119.45 4trx s GLN 78 Ca 0.21 -1.21 0.01 0.00 -2.00 0.00 0.00 55.36 52.37 4trx s GLN 78 Cb -0.15 -1.25 0.02 0.00 0.80 0.00 0.00 33.01 32.43 4trx s GLN 78 CO 0.10 0.28 -0.19 -0.06 -0.50 0.00 0.00 175.29 174.91 4trx s PHE 79 N -1.50 2.80 0.07 1.67 0.40 0.88 -0.61 117.98 121.67 4trx s PHE 79 Ca 0.08 -1.69 0.09 0.00 -0.60 0.00 0.00 56.93 54.81 4trx s PHE 79 Cb -0.08 -1.91 -0.03 0.00 0.51 0.00 0.00 43.02 41.50 4trx s PHE 79 CO 0.04 -0.81 -0.23 -0.06 0.70 0.00 0.00 175.22 174.87 4trx s PHE 80 N 1.28 2.42 -0.17 0.36 0.08 0.20 -1.51 117.98 120.64 4trx s PHE 80 Ca 0.04 -0.34 -0.02 0.00 0.12 0.00 0.00 56.93 56.74 4trx s PHE 80 Cb -0.14 -1.39 0.05 0.00 -0.57 0.00 0.00 43.02 40.98 4trx s PHE 80 CO -0.12 0.23 -0.00 0.21 -0.10 0.00 0.00 175.22 175.44 4trx s LYS 81 N -1.55 0.97 0.00 0.44 2.20 0.12 -2.02 119.74 119.90 4trx s LYS 81 Ca 0.14 -0.43 0.00 0.00 -0.36 0.00 0.00 55.97 55.31 4trx s LYS 81 Cb -0.10 -1.97 0.00 0.00 -1.51 0.00 0.00 37.83 34.25 4trx s LYS 81 CO 0.05 -0.53 0.00 1.17 -0.36 0.00 0.00 175.35 175.68 4trx n LYS 82 N 4.97 -0.41 0.00 4.03 4.81 -1.26 -0.25 118.16 130.05 4trx n LYS 82 Ca -0.10 0.10 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 4trx n LYS 82 Cb 0.47 -4.35 0.00 0.00 0.02 0.00 0.00 35.03 31.17 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 -1.42 1.15 3.74 3.14 0.00 -1.26 -4.88 105.19 105.65 4trx n GLY 83 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 4trx n GLY 83 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 4trx s GLN 84 N -0.18 4.06 0.34 1.61 2.00 0.65 -5.04 119.66 123.10 4trx s GLN 84 Ca 0.00 -0.22 -0.28 0.00 -2.00 0.00 0.00 55.36 52.85 4trx s GLN 84 Cb 0.00 -3.36 -0.10 0.00 0.80 0.00 0.00 33.01 30.35 4trx s GLN 84 CO 0.00 0.36 1.27 0.21 -0.50 0.00 0.00 175.29 176.63 4trx s LYS 85 N 0.17 4.34 0.00 1.67 2.20 -1.26 0.16 119.74 127.01 4trx s LYS 85 Ca 0.08 2.13 0.00 0.00 -0.36 0.00 0.00 55.97 57.82 4trx s LYS 85 Cb -0.11 -3.03 0.00 0.00 -1.51 0.00 0.00 37.83 33.18 4trx s LYS 85 CO -0.01 -0.17 0.00 1.33 -0.36 0.00 0.00 175.35 176.14 4trx n VAL 86 N 0.74 0.00 -3.72 4.02 0.24 -0.57 -4.88 118.33 114.16 4trx n VAL 86 Ca 0.00 0.00 -0.12 0.00 -2.04 0.00 0.00 64.34 62.19 4trx n VAL 86 Cb 0.43 0.04 -0.07 0.00 -1.47 0.00 0.00 33.84 32.77 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 -0.63 -0.17 -0.30 7.63 0.00 -1.19 -5.02 107.32 107.64 4trx s GLY 87 Ca 0.00 0.09 -0.14 0.00 0.00 0.00 0.00 44.72 44.66 4trx s GLY 87 CO 0.00 -0.15 0.89 -1.83 0.00 0.00 0.00 173.10 172.01 4trx s GLU 88 N -2.61 0.41 -0.15 2.90 -1.05 -1.26 -0.09 118.70 116.85 4trx s GLU 88 Ca -0.05 0.90 -0.11 0.00 -0.15 0.00 0.00 54.97 55.57 4trx s GLU 88 Cb -0.01 0.41 0.05 0.00 -0.44 0.00 0.00 34.13 34.14 4trx s GLU 88 CO -0.04 -0.12 0.38 -0.59 0.95 0.00 0.00 175.26 175.84 4trx s PHE 89 N 2.19 -0.48 0.27 4.83 -0.12 -0.80 -5.03 117.98 118.85 4trx s PHE 89 Ca -0.06 1.10 0.07 0.00 -0.05 0.00 0.00 56.93 58.00 4trx s PHE 89 Cb -0.07 0.18 -0.03 0.00 -0.63 0.00 0.00 43.02 42.47 4trx s PHE 89 CO -0.17 -0.26 0.20 -1.54 -0.05 0.00 0.00 175.22 173.40 4trx s SER 90 N 0.75 5.40 0.00 1.98 1.04 -1.26 -2.26 113.70 119.35 4trx s SER 90 Ca -0.04 -0.33 0.00 0.00 0.48 0.00 0.00 55.95 56.05 4trx s SER 90 Cb -0.06 -1.28 0.00 0.00 0.10 0.00 0.00 66.02 64.79 4trx s SER 90 CO -0.05 -0.10 0.00 0.61 0.98 0.00 0.00 173.24 174.68 4trx n GLY 91 N -1.19 4.78 1.80 7.32 0.00 -1.09 -4.94 105.19 111.87 4trx n GLY 91 Ca -0.07 -1.00 -0.08 0.00 0.00 0.00 0.00 46.02 44.87 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 -1.91 5.16 -2.78 4.61 0.00 -1.26 -4.78 120.51 119.54 4trx n ALA 92 Ca 0.00 -1.09 -0.36 0.00 0.00 0.00 0.00 53.44 51.99 4trx n ALA 92 Cb 0.00 -1.59 -0.08 0.00 0.00 0.00 0.00 19.45 17.78 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 1.64 5.82 -0.20 0.00 3.04 -1.26 -5.02 114.94 118.95 4trx s ASN 93 Ca 0.32 0.31 -0.15 0.00 0.04 0.00 0.00 52.86 53.37 4trx s ASN 93 Cb 0.17 -1.77 -0.08 0.00 -1.54 0.00 0.00 41.25 38.03 4trx s ASN 93 CO -0.02 0.39 -0.33 1.17 -3.04 0.00 0.00 177.10 175.27 4trx n LYS 94 N 2.04 0.52 0.00 0.43 0.00 -1.26 -4.32 118.16 115.57 4trx n LYS 94 Ca -0.19 0.22 0.00 0.00 0.00 0.00 0.00 58.31 58.33 4trx n LYS 94 Cb 0.54 -1.39 0.00 0.00 0.00 0.00 0.00 35.03 34.19 4trx n LYS 94 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 4trx n GLU 95 N -4.29 0.00 -0.07 1.64 -0.58 -1.26 -0.97 120.64 115.11 4trx n GLU 95 Ca -0.30 0.28 -0.13 0.00 -0.42 0.00 0.00 57.16 56.60 4trx n GLU 95 Cb 0.65 -1.66 -0.11 0.00 -0.57 0.00 0.00 31.44 29.74 4trx n GLU 95 CO 0.00 0.00 0.00 -0.22 -0.48 0.00 0.00 177.13 176.43 4trx h LYS 96 N 0.00 0.00 -0.47 3.49 3.64 -2.00 -3.33 116.57 117.89 4trx h LYS 96 Ca 0.00 0.00 0.05 0.00 -1.27 0.00 0.00 60.65 59.43 4trx h LYS 96 Cb 0.33 0.00 -0.08 0.00 -0.41 0.00 0.00 32.23 32.06 4trx h LYS 96 CO 0.00 0.86 -0.55 -0.07 -2.27 0.00 0.00 179.45 177.42 4trx h LEU 97 N -1.00 -1.87 0.00 5.20 3.38 -1.25 0.17 115.31 119.95 4trx h LEU 97 Ca -0.03 0.25 0.00 0.00 0.09 0.00 0.00 57.88 58.19 4trx h LEU 97 Cb 0.90 0.77 0.00 0.00 0.09 0.00 0.00 40.66 42.42 4trx h LEU 97 CO -0.02 -0.37 0.00 1.21 0.09 0.00 0.00 178.44 179.34 4trx n GLU 98 N -5.30 0.00 -0.33 1.13 2.13 -1.24 0.21 120.64 117.24 4trx n GLU 98 Ca -0.03 0.84 0.13 0.00 0.66 0.00 0.00 57.16 58.77 4trx n GLU 98 Cb 0.32 -1.30 0.35 0.00 0.27 0.00 0.00 31.44 31.08 4trx n GLU 98 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 4trx h ALA 99 N -1.08 1.75 -0.45 4.31 0.00 -1.59 -0.19 119.26 122.01 4trx h ALA 99 Ca 0.00 0.06 0.02 0.00 0.00 0.00 0.00 54.91 54.99 4trx h ALA 99 Cb 0.00 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 4trx h ALA 99 CO 0.00 -0.09 0.27 1.15 0.00 0.00 0.00 179.25 180.59 4trx h THR 100 N 0.74 1.06 -0.59 0.00 2.02 0.28 -0.69 112.91 115.72 4trx h THR 100 Ca 0.54 -0.19 0.00 0.00 0.77 0.00 0.00 66.41 67.54 4trx h THR 100 Cb 0.88 0.46 -0.03 0.00 -1.74 0.00 0.00 68.15 67.72 4trx h THR 100 CO -0.32 0.10 0.38 0.40 0.37 0.00 0.00 175.52 176.45 4trx h ILE 101 N 0.55 1.16 0.00 3.11 5.03 0.15 0.56 117.51 128.07 4trx h ILE 101 Ca 0.18 -0.32 0.00 0.00 -0.12 0.00 0.00 64.86 64.60 4trx h ILE 101 Cb 0.00 0.30 0.00 0.00 -3.03 0.00 0.00 36.82 34.09 4trx h ILE 101 CO -0.08 0.16 0.00 -3.20 -0.68 0.00 0.00 178.15 174.35 4trx n ASN 102 N -4.43 0.10 0.02 1.72 2.85 -0.35 -0.42 115.26 114.75 4trx n ASN 102 Ca 0.06 0.53 -0.19 0.00 -0.11 0.00 0.00 54.58 54.87 4trx n ASN 102 Cb 0.06 -0.55 -0.13 0.00 1.24 0.00 0.00 39.78 40.40 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 0.35 -0.01 1.20 4.81 0.99 -3.35 114.58 118.58 4trx h GLU 103 Ca 0.00 -0.47 0.00 0.00 -0.13 0.00 0.00 59.36 58.76 4trx h GLU 103 Cb 0.19 0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.72 4trx h GLU 103 CO 0.00 1.16 -0.64 1.28 -0.73 0.00 0.00 179.01 180.09 4trx n LEU 104 N -4.18 1.34 0.00 1.64 4.77 -1.01 -5.13 117.00 114.43 4trx n LEU 104 Ca -0.12 -0.63 0.00 0.00 -0.03 0.00 0.00 56.01 55.23 4trx n LEU 104 Cb 0.74 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.83 4trx n LEU 104 CO 0.47 0.28 0.07 0.55 -1.33 0.00 0.00 177.39 177.43