#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 4.04 0.02 1.12 1.01 -1.26 -3.35 120.40 121.98 4trx s VAL 2 Ca 0.00 0.73 -0.12 0.00 0.00 0.00 0.00 61.98 62.59 4trx s VAL 2 Cb 0.00 -3.43 0.01 0.00 0.00 0.00 0.00 36.38 32.96 4trx s VAL 2 CO 0.00 -0.80 0.26 -0.75 0.00 0.00 0.00 175.10 173.81 4trx s LYS 3 N -4.81 0.69 -0.05 2.72 2.20 -0.97 -4.94 119.74 114.58 4trx s LYS 3 Ca 0.59 -0.40 0.02 0.00 -0.36 0.00 0.00 55.97 55.81 4trx s LYS 3 Cb -0.14 0.30 -0.03 0.00 -1.51 0.00 0.00 37.83 36.44 4trx s LYS 3 CO 0.50 -0.20 -0.07 -1.14 -0.36 0.00 0.00 175.35 174.08 4trx s GLN 4 N -1.94 2.67 0.45 4.03 2.00 -1.26 0.57 119.66 126.18 4trx s GLN 4 Ca -0.10 -0.61 0.08 0.00 -2.00 0.00 0.00 55.36 52.74 4trx s GLN 4 Cb -0.03 -2.55 0.01 0.00 0.80 0.00 0.00 33.01 31.24 4trx s GLN 4 CO 0.00 0.64 0.50 0.42 -0.50 0.00 0.00 175.29 176.36 4trx s ILE 5 N -0.85 2.60 0.00 -2.34 -1.09 -1.23 -4.97 121.20 113.31 4trx s ILE 5 Ca 0.14 -1.19 0.00 0.00 -2.23 0.00 0.00 60.65 57.36 4trx s ILE 5 Cb -0.11 -2.79 0.00 0.00 -1.58 0.00 0.00 42.46 37.98 4trx s ILE 5 CO 0.03 0.00 0.00 -1.84 -1.23 0.00 0.00 174.94 171.90 4trx n GLU 6 N -1.77 0.00 -4.35 2.79 0.28 -1.26 -4.73 120.64 111.61 4trx n GLU 6 Ca 0.06 0.00 -0.20 0.00 -0.16 0.00 0.00 57.16 56.87 4trx n GLU 6 Cb 0.61 -0.39 -0.09 0.00 1.43 0.00 0.00 31.44 33.00 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 -1.27 1.69 -0.07 -1.84 1.04 -1.26 -4.42 113.70 107.56 4trx s SER 7 Ca 0.00 -1.60 -0.21 0.00 0.48 0.00 0.00 55.95 54.62 4trx s SER 7 Cb 0.00 0.43 -0.29 0.00 0.10 0.00 0.00 66.02 66.26 4trx s SER 7 CO 0.00 -0.92 0.77 0.50 0.98 0.00 0.00 173.24 174.57 4trx h LYS 8 N 2.16 0.25 -1.01 4.02 3.11 -1.94 -2.81 116.57 120.35 4trx h LYS 8 Ca -0.32 -0.43 0.26 0.00 -2.81 0.00 0.00 60.65 57.34 4trx h LYS 8 Cb 1.25 0.16 -0.08 0.00 -1.00 0.00 0.00 32.23 32.56 4trx h LYS 8 CO 0.50 1.21 0.67 1.15 -2.81 0.00 0.00 179.45 180.16 4trx h THR 9 N -0.42 0.56 0.02 1.00 2.02 -2.01 -0.74 112.91 113.34 4trx h THR 9 Ca -0.18 -0.11 -0.00 0.00 0.77 0.00 0.00 66.41 66.88 4trx h THR 9 Cb 1.62 0.21 0.00 0.00 -1.74 0.00 0.00 68.15 68.24 4trx h THR 9 CO 0.10 0.06 -0.01 0.00 0.37 0.00 0.00 175.52 176.04 4trx h ALA 10 N 1.59 -0.02 -1.68 6.16 0.00 -1.99 -3.19 119.26 120.12 4trx h ALA 10 Ca 0.54 -0.38 0.50 0.00 0.00 0.00 0.00 54.91 55.58 4trx h ALA 10 Cb 1.51 0.01 -0.08 0.00 0.00 0.00 0.00 17.79 19.22 4trx h ALA 10 CO -0.21 -0.10 1.19 0.35 0.00 0.00 0.00 179.25 180.48 4trx h PHE 11 N -0.85 0.12 0.01 0.00 3.57 -0.87 1.86 116.94 120.78 4trx h PHE 11 Ca -0.00 0.01 -0.24 0.00 3.53 0.00 0.00 57.97 61.27 4trx h PHE 11 Cb 0.76 -0.03 0.01 0.00 2.79 0.00 0.00 35.95 39.48 4trx h PHE 11 CO 0.19 -0.05 -0.98 1.96 -2.23 0.00 0.00 178.31 177.21 4trx h GLN 12 N 0.02 0.44 -0.01 1.11 1.08 -1.45 -3.11 115.11 113.19 4trx h GLN 12 Ca 0.84 -0.49 -0.20 0.00 -1.45 0.00 0.00 58.65 57.36 4trx h GLN 12 Cb 3.23 0.14 -0.01 0.00 -0.05 0.00 0.00 27.48 30.79 4trx h GLN 12 CO -0.10 1.15 -0.85 0.93 -0.95 0.00 0.00 178.83 179.00 4trx h GLU 13 N 0.24 0.24 -0.62 1.46 4.39 0.27 -3.08 114.58 117.48 4trx h GLU 13 Ca -0.09 -0.25 -0.04 0.00 0.34 0.00 0.00 59.36 59.32 4trx h GLU 13 Cb 1.63 0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 30.32 4trx h GLU 13 CO 0.17 0.96 0.23 0.00 -1.16 0.00 0.00 179.01 179.21 4trx h ALA 14 N 0.96 1.24 0.00 3.43 0.00 -0.73 0.25 119.26 124.41 4trx h ALA 14 Ca -0.04 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.69 4trx h ALA 14 Cb 1.46 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 19.01 4trx h ALA 14 CO 0.13 0.55 0.00 -0.07 0.00 0.00 0.00 179.25 179.87 4trx h LEU 15 N 0.90 0.00 0.00 0.00 3.38 -1.52 -2.06 115.31 116.01 4trx h LEU 15 Ca 0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.18 4trx h LEU 15 Cb 0.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.95 4trx h LEU 15 CO -0.02 0.00 -1.20 -0.67 0.09 0.00 0.00 178.44 176.65 4trx n ASP 16 N -2.55 0.56 -0.40 -0.43 2.03 -0.38 -4.02 116.55 111.37 4trx n ASP 16 Ca 0.03 -0.20 0.10 0.00 0.52 0.00 0.00 54.79 55.23 4trx n ASP 16 Cb 0.33 1.00 -0.02 0.00 -0.72 0.00 0.00 41.12 41.72 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 -1.90 3.56 1.40 -1.67 0.00 -0.06 -4.16 120.51 117.68 4trx n ALA 17 Ca 0.01 -0.60 0.14 0.00 0.00 0.00 0.00 53.44 52.99 4trx n ALA 17 Cb 0.46 -0.71 0.65 0.00 0.00 0.00 0.00 19.45 19.85 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 -0.22 2.70 0.00 0.00 0.00 -0.80 -5.00 120.51 117.18 4trx n ALA 18 Ca 0.08 -0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.29 4trx n ALA 18 Cb 0.41 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.48 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 1.29 1.53 0.00 0.00 0.00 -1.26 -4.43 105.19 102.31 4trx n GLY 19 Ca 0.14 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.40 4trx n GLY 19 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 4trx n ASP 20 N 4.68 0.00 -4.13 1.61 5.68 -1.26 -4.63 116.55 118.50 4trx n ASP 20 Ca 0.00 0.00 -0.35 0.00 -0.50 0.00 0.00 54.79 53.94 4trx n ASP 20 Cb 0.00 0.00 0.10 0.00 -1.14 0.00 0.00 41.12 40.08 4trx n ASP 20 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 4trx n LYS 21 N -0.30 -0.86 -1.58 0.11 4.01 -1.26 -3.96 118.16 114.31 4trx n LYS 21 Ca 0.00 -0.24 -0.42 0.00 -0.51 0.00 0.00 58.31 57.13 4trx n LYS 21 Cb 0.00 -1.35 0.00 0.00 -0.51 0.00 0.00 35.03 33.17 4trx n LYS 21 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 4trx n LEU 22 N 0.83 2.00 -3.71 -0.35 4.77 -1.26 -4.71 117.00 114.57 4trx n LEU 22 Ca -0.01 1.07 -0.30 0.00 -0.03 0.00 0.00 56.01 56.74 4trx n LEU 22 Cb 0.68 -1.30 -0.14 0.00 -2.33 0.00 0.00 43.42 40.33 4trx n LEU 22 CO 0.47 -1.64 -0.28 -0.69 -1.33 0.00 0.00 177.39 173.92 4trx s VAL 23 N -1.23 1.16 -0.17 4.08 1.01 -0.59 -2.23 120.40 122.42 4trx s VAL 23 Ca 0.62 -2.08 -0.14 0.00 0.00 0.00 0.00 61.98 60.37 4trx s VAL 23 Cb -0.61 -1.83 -0.04 0.00 0.00 0.00 0.00 36.38 33.89 4trx s VAL 23 CO 0.58 -0.82 0.31 -0.69 0.00 0.00 0.00 175.10 174.48 4trx s VAL 24 N 0.86 5.29 0.10 2.92 1.01 -1.07 -0.13 120.40 129.38 4trx s VAL 24 Ca 0.15 0.57 0.03 0.00 0.00 0.00 0.00 61.98 62.73 4trx s VAL 24 Cb -0.22 -3.65 -0.04 0.00 0.00 0.00 0.00 36.38 32.47 4trx s VAL 24 CO -0.09 0.36 0.11 -0.69 0.00 0.00 0.00 175.10 174.79 4trx s VAL 25 N 0.68 4.64 -0.53 2.92 1.01 0.15 -2.51 120.40 126.75 4trx s VAL 25 Ca 0.17 -0.79 0.03 0.00 0.00 0.00 0.00 61.98 61.39 4trx s VAL 25 Cb -0.13 -3.27 0.13 0.00 0.00 0.00 0.00 36.38 33.11 4trx s VAL 25 CO 0.05 0.07 0.28 -0.62 0.00 0.00 0.00 175.10 174.88 4trx s ASP 26 N -2.58 4.40 -0.88 3.32 2.15 -0.82 -1.58 116.67 120.69 4trx s ASP 26 Ca 0.30 -3.02 -0.25 0.00 0.43 0.00 0.00 52.55 50.02 4trx s ASP 26 Cb -0.12 -1.66 0.02 0.00 -0.30 0.00 0.00 42.92 40.86 4trx s ASP 26 CO 0.23 -0.24 1.53 -0.36 -0.17 0.00 0.00 175.17 176.16 4trx s PHE 27 N -0.30 2.26 0.34 -5.34 0.08 -0.18 -2.35 117.98 112.49 4trx s PHE 27 Ca 0.17 -0.22 0.05 0.00 0.12 0.00 0.00 56.93 57.05 4trx s PHE 27 Cb -0.25 -4.51 -0.02 0.00 -0.57 0.00 0.00 43.02 37.66 4trx s PHE 27 CO -0.00 -1.98 0.33 0.45 -0.10 0.00 0.00 175.22 173.91 4trx s SER 28 N 5.45 1.54 -0.01 1.36 0.15 -0.98 -1.29 113.70 119.92 4trx s SER 28 Ca 0.49 -1.71 -0.08 0.00 0.70 0.00 0.00 55.95 55.35 4trx s SER 28 Cb -0.05 0.59 -0.05 0.00 -1.71 0.00 0.00 66.02 64.80 4trx s SER 28 CO 0.01 -1.13 0.28 0.00 1.20 0.00 0.00 173.24 173.61 4trx s ALA 29 N -3.32 3.82 -0.10 5.45 0.00 -1.26 -2.16 121.76 124.18 4trx s ALA 29 Ca 0.39 -0.52 0.21 0.00 0.00 0.00 0.00 51.96 52.03 4trx s ALA 29 Cb 0.02 -2.11 -0.24 0.00 0.00 0.00 0.00 23.12 20.79 4trx s ALA 29 CO 0.26 0.62 0.55 -2.37 0.00 0.00 0.00 175.76 174.83 4trx n THR 30 N 1.31 0.47 0.01 0.00 5.66 -1.26 -4.37 114.28 116.10 4trx n THR 30 Ca -0.13 -0.59 -0.18 0.00 -3.05 0.00 0.00 64.05 60.10 4trx n THR 30 Cb 0.53 -0.22 -0.14 0.00 -1.55 0.00 0.00 70.33 68.95 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 0.38 -2.94 1.09 5.08 -2.00 -3.47 115.95 114.09 4trx h TRP 31 Ca -0.11 -0.27 -0.50 0.00 1.08 0.00 0.00 58.89 59.09 4trx h TRP 31 Cb 1.27 -0.02 0.22 0.00 -3.00 0.00 0.00 29.16 27.64 4trx h TRP 31 CO 0.00 1.24 -0.78 0.00 -1.28 0.00 0.00 178.44 177.62 4trx n GLY 33 N 1.72 -0.51 0.43 0.00 0.00 -1.26 -4.22 105.19 101.35 4trx n GLY 33 Ca 0.04 -0.08 0.24 0.00 0.00 0.00 0.00 46.02 46.22 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 -0.25 0.26 0.00 1.61 0.11 -1.98 0.77 132.00 132.52 4trx h PRO 34 Ca 0.00 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 66.04 4trx h PRO 34 Cb 0.23 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 31.28 4trx h PRO 34 CO 0.00 0.17 -0.24 0.00 -0.21 0.00 0.00 178.00 177.73 4trx n LYS 36 N -3.66 2.77 0.14 0.00 4.81 0.26 -4.10 118.16 118.38 4trx n LYS 36 Ca -0.01 -2.69 0.03 0.00 -0.87 0.00 0.00 58.31 54.77 4trx n LYS 36 Cb 0.36 -1.59 0.03 0.00 0.02 0.00 0.00 35.03 33.85 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 4.36 0.00 -0.28 1.64 4.05 -0.54 -3.06 114.93 121.10 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 1.02 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.82 4trx h MET 37 CO 0.01 0.46 0.00 -0.89 0.23 0.00 0.00 176.91 176.72 4trx n ILE 38 N -3.21 0.36 -0.19 1.77 -0.00 -1.26 -4.36 119.36 112.47 4trx n ILE 38 Ca 0.02 -0.56 -0.08 0.00 -0.00 0.00 0.00 62.75 62.13 4trx n ILE 38 Cb 0.72 0.73 0.02 0.00 -0.00 0.00 0.00 39.64 41.11 4trx n ILE 38 CO 0.00 0.00 0.00 0.50 -0.00 0.00 0.00 176.55 177.05 4trx h LYS 39 N 3.50 0.78 0.00 0.38 3.64 -1.74 -2.12 116.57 121.01 4trx h LYS 39 Ca 0.00 -0.14 0.00 0.00 -1.27 0.00 0.00 60.65 59.24 4trx h LYS 39 Cb 0.77 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.46 4trx h LYS 39 CO 0.00 0.68 0.00 -2.30 -2.27 0.00 0.00 179.45 175.56 4trx n PRO 40 N -4.54 0.10 -0.10 1.90 -0.02 -1.26 0.15 135.00 131.23 4trx n PRO 40 Ca 0.02 0.00 -0.22 0.00 -2.02 0.00 0.00 63.50 61.29 4trx n PRO 40 Cb 0.15 -1.44 -0.07 0.00 -0.02 0.00 0.00 33.50 32.12 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 -0.94 0.00 0.06 6.00 3.01 -0.81 -3.92 117.46 120.87 4trx n PHE 41 Ca 0.02 0.00 -0.06 0.00 1.01 0.00 0.00 57.45 58.42 4trx n PHE 41 Cb 0.01 -0.73 -0.11 0.00 -0.01 0.00 0.00 39.48 38.64 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 -0.70 0.00 -0.00 1.38 3.57 -1.35 -3.16 116.94 116.67 4trx h PHE 42 Ca -0.51 0.00 0.00 0.00 3.53 0.00 0.00 57.97 60.99 4trx h PHE 42 Cb 1.46 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.20 4trx h PHE 42 CO -0.06 0.96 -0.09 1.58 -2.23 0.00 0.00 178.31 178.46 4trx n HIS 43 N -3.32 0.00 0.19 0.41 -0.00 0.12 -3.45 115.22 109.18 4trx n HIS 43 Ca -0.01 0.00 0.11 0.00 0.46 0.00 0.00 57.72 58.29 4trx n HIS 43 Cb 0.93 -0.14 0.01 0.00 -0.12 0.00 0.00 29.99 30.67 4trx n HIS 43 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 4trx n SER 44 N -0.82 0.74 0.00 0.26 2.88 -1.19 -3.76 113.62 111.73 4trx n SER 44 Ca 0.16 0.23 0.07 0.00 -1.33 0.00 0.00 58.87 58.00 4trx n SER 44 Cb 0.27 0.57 0.33 0.00 -0.75 0.00 0.00 64.21 64.63 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 -2.52 0.00 0.09 2.46 4.77 -1.22 -2.96 117.00 117.62 4trx n LEU 45 Ca 0.00 0.47 0.20 0.00 -0.03 0.00 0.00 56.01 56.66 4trx n LEU 45 Cb 0.53 -0.47 0.70 0.00 -2.33 0.00 0.00 43.42 41.85 4trx n LEU 45 CO 0.40 -0.23 1.18 -1.28 -1.33 0.00 0.00 177.39 176.13 4trx h SER 46 N 0.00 0.00 0.00 -1.43 0.87 -1.79 -2.10 113.55 109.10 4trx h SER 46 Ca 0.00 0.00 -0.30 0.00 -1.23 0.00 0.00 61.79 60.26 4trx h SER 46 Cb 0.24 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 62.15 4trx h SER 46 CO 0.00 0.00 -2.09 -0.62 -0.53 0.00 0.00 176.83 173.59 4trx n GLU 47 N -3.52 0.45 0.17 2.24 1.02 -1.16 -3.73 120.64 116.11 4trx n GLU 47 Ca 0.08 0.13 -0.16 0.00 -0.02 0.00 0.00 57.16 57.19 4trx n GLU 47 Cb 0.71 -1.32 -0.09 0.00 -0.02 0.00 0.00 31.44 30.71 4trx n GLU 47 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 4trx h LYS 48 N -0.23 -0.77 -4.63 3.49 3.11 -1.56 -3.36 116.57 112.62 4trx h LYS 48 Ca -0.45 0.05 -0.71 0.00 -2.81 0.00 0.00 60.65 56.73 4trx h LYS 48 Cb 1.58 0.17 -0.20 0.00 -1.00 0.00 0.00 32.23 32.79 4trx h LYS 48 CO -0.14 -0.51 -0.32 0.71 -2.81 0.00 0.00 179.45 176.37 4trx s TYR 49 N -5.62 3.21 -0.93 1.91 2.02 -0.83 -4.89 117.35 112.22 4trx s TYR 49 Ca -0.16 -0.55 0.23 0.00 -0.37 0.00 0.00 57.07 56.22 4trx s TYR 49 Cb 0.05 -2.79 0.09 0.00 -0.40 0.00 0.00 41.96 38.91 4trx s TYR 49 CO 0.57 -0.67 1.11 -1.13 -1.57 0.00 0.00 175.55 173.86 4trx n SER 50 N 5.36 0.73 -1.72 2.29 3.41 -1.26 -3.96 113.62 118.47 4trx n SER 50 Ca -0.10 -0.58 0.08 0.00 -0.26 0.00 0.00 58.87 58.01 4trx n SER 50 Cb 0.47 0.70 0.37 0.00 -0.26 0.00 0.00 64.21 65.49 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 -1.58 5.15 -4.04 4.04 5.15 -1.26 -4.90 115.26 117.82 4trx n ASN 51 Ca 0.04 -2.68 -0.18 0.00 -0.60 0.00 0.00 54.58 51.16 4trx n ASN 51 Cb 0.35 -0.63 -0.14 0.00 -0.53 0.00 0.00 39.78 38.83 4trx n ASN 51 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 4trx s VAL 52 N -2.30 0.74 0.01 3.44 1.01 -1.25 -4.59 120.40 117.46 4trx s VAL 52 Ca 0.51 -0.58 -0.06 0.00 0.00 0.00 0.00 61.98 61.85 4trx s VAL 52 Cb 0.36 -0.65 -0.05 0.00 0.00 0.00 0.00 36.38 36.04 4trx s VAL 52 CO 0.20 0.08 0.26 -0.63 0.00 0.00 0.00 175.10 175.01 4trx s ILE 53 N -0.48 5.31 0.04 2.22 1.09 -0.95 -4.29 121.20 124.15 4trx s ILE 53 Ca 0.01 0.15 0.05 0.00 -1.10 0.00 0.00 60.65 59.76 4trx s ILE 53 Cb -0.05 -3.56 -0.02 0.00 -1.06 0.00 0.00 42.46 37.77 4trx s ILE 53 CO 0.00 0.36 -0.13 -0.36 -0.10 0.00 0.00 174.94 174.71 4trx s PHE 54 N -1.30 1.17 0.12 3.97 0.08 -1.21 -2.60 117.98 118.21 4trx s PHE 54 Ca 0.27 -0.35 0.02 0.00 0.12 0.00 0.00 56.93 57.00 4trx s PHE 54 Cb -0.13 -0.70 -0.04 0.00 -0.57 0.00 0.00 43.02 41.58 4trx s PHE 54 CO 0.16 0.03 -0.06 -0.51 -0.10 0.00 0.00 175.22 174.74 4trx s LEU 55 N -1.10 2.45 -0.19 -0.37 1.02 -1.05 -2.30 118.68 117.15 4trx s LEU 55 Ca 0.01 -1.03 -0.04 0.00 0.02 0.00 0.00 54.13 53.09 4trx s LEU 55 Cb -0.08 -0.10 0.06 0.00 0.02 0.00 0.00 46.19 46.09 4trx s LEU 55 CO 0.01 -0.46 0.05 -0.70 0.02 0.00 0.00 176.35 175.27 4trx s GLU 56 N -3.84 0.46 -0.11 1.70 2.12 0.19 -1.95 118.70 117.29 4trx s GLU 56 Ca 0.14 -0.33 -0.12 0.00 0.36 0.00 0.00 54.97 55.03 4trx s GLU 56 Cb 0.05 -2.01 -0.05 0.00 0.26 0.00 0.00 34.13 32.38 4trx s GLU 56 CO -0.03 -0.66 0.27 0.08 -0.54 0.00 0.00 175.26 174.38 4trx s VAL 57 N 1.95 5.29 -0.33 3.70 1.01 -0.99 -3.53 120.40 127.50 4trx s VAL 57 Ca 0.00 0.51 -0.16 0.00 0.00 0.00 0.00 61.98 62.34 4trx s VAL 57 Cb -0.17 -3.58 -0.01 0.00 0.00 0.00 0.00 36.38 32.62 4trx s VAL 57 CO -0.09 0.51 0.39 -0.62 0.00 0.00 0.00 175.10 175.29 4trx s ASP 58 N -0.38 6.22 0.00 3.32 2.15 -1.26 -2.32 116.67 124.40 4trx s ASP 58 Ca 0.18 -0.11 -0.03 0.00 0.43 0.00 0.00 52.55 53.02 4trx s ASP 58 Cb -0.14 -2.21 -0.15 0.00 -0.30 0.00 0.00 42.92 40.12 4trx s ASP 58 CO 0.06 -0.34 2.63 1.33 -0.17 0.00 0.00 175.17 178.68 4trx n VAL 59 N 5.26 2.23 0.00 1.11 0.24 -0.92 -2.42 118.33 123.83 4trx n VAL 59 Ca -0.08 -0.97 0.00 0.00 -2.04 0.00 0.00 64.34 61.25 4trx n VAL 59 Cb 0.49 -1.74 0.00 0.00 -1.47 0.00 0.00 33.84 31.12 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 2.22 0.03 -0.00 -1.34 -0.08 -1.26 -4.75 116.55 111.37 4trx n ASP 60 Ca 0.23 0.00 0.09 0.00 -1.51 0.00 0.00 54.79 53.60 4trx n ASP 60 Cb 0.65 0.00 -0.11 0.00 2.34 0.00 0.00 41.12 44.00 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 -2.07 0.84 -1.37 1.67 2.03 -1.21 -4.39 116.55 112.05 4trx n ASP 61 Ca 0.00 -0.79 -0.04 0.00 0.52 0.00 0.00 54.79 54.47 4trx n ASP 61 Cb 0.01 1.12 0.11 0.00 -0.72 0.00 0.00 41.12 41.64 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 1.52 0.00 -0.26 0.00 4.20 -1.77 0.10 115.11 118.91 4trx h GLN 63 Ca 0.07 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.75 4trx h GLN 63 Cb 1.31 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.08 4trx h GLN 63 CO 0.27 0.00 0.01 0.38 -0.67 0.00 0.00 178.83 178.82 4trx h ASP 64 N 0.00 0.44 -0.33 1.46 2.03 -1.94 0.53 116.42 118.61 4trx h ASP 64 Ca 0.00 -0.30 -0.13 0.00 -0.73 0.00 0.00 57.03 55.87 4trx h ASP 64 Cb 0.61 -0.12 -0.01 0.00 -0.83 0.00 0.00 39.33 38.99 4trx h ASP 64 CO 0.00 0.62 -0.32 0.58 -1.03 0.00 0.00 179.24 179.10 4trx h VAL 65 N 0.23 1.29 -0.16 4.15 2.07 -1.14 -2.63 116.25 120.06 4trx h VAL 65 Ca 0.07 -1.49 0.00 0.00 0.82 0.00 0.00 66.70 66.11 4trx h VAL 65 Cb 0.39 1.49 -0.01 0.00 -1.52 0.00 0.00 31.29 31.65 4trx h VAL 65 CO 0.01 0.49 0.10 0.00 0.02 0.00 0.00 177.57 178.19 4trx h ALA 66 N 0.73 0.20 0.00 1.67 0.00 -1.39 0.60 119.26 121.07 4trx h ALA 66 Ca 0.05 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.95 4trx h ALA 66 Cb 0.90 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.62 4trx h ALA 66 CO 0.08 -0.32 0.00 0.45 0.00 0.00 0.00 179.25 179.46 4trx n SER 67 N -4.98 0.16 0.08 0.00 2.88 0.17 -1.01 113.62 110.92 4trx n SER 67 Ca -0.04 0.56 -0.12 0.00 -1.33 0.00 0.00 58.87 57.94 4trx n SER 67 Cb 0.03 -0.59 -0.13 0.00 -0.75 0.00 0.00 64.21 62.77 4trx n SER 67 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 4trx h GLU 68 N 0.00 0.14 -0.02 -1.46 4.81 -0.50 -3.16 114.58 114.39 4trx h GLU 68 Ca 0.00 -0.24 0.00 0.00 -0.13 0.00 0.00 59.36 58.99 4trx h GLU 68 Cb 0.09 0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.56 4trx h GLU 68 CO 0.00 1.09 -0.06 0.00 -0.73 0.00 0.00 179.01 179.31 4trx n GLU 70 N 0.43 -5.77 -2.51 0.00 4.07 -0.74 -4.95 120.64 111.15 4trx n GLU 70 Ca 0.16 0.71 -0.33 0.00 -0.06 0.00 0.00 57.16 57.64 4trx n GLU 70 Cb 0.44 -5.48 -0.04 0.00 -0.06 0.00 0.00 31.44 26.29 4trx n GLU 70 CO 0.00 0.00 0.00 0.08 -0.06 0.00 0.00 177.13 177.15 4trx s VAL 71 N -3.50 4.37 0.00 6.31 1.01 -1.20 -4.96 120.40 122.43 4trx s VAL 71 Ca 0.13 1.27 0.04 0.00 0.00 0.00 0.00 61.98 63.42 4trx s VAL 71 Cb -0.06 -3.63 0.07 0.00 0.00 0.00 0.00 36.38 32.75 4trx s VAL 71 CO 0.78 -0.52 0.93 1.17 0.00 0.00 0.00 175.10 177.46 4trx n LYS 72 N -1.27 0.00 -3.31 2.72 4.81 -1.26 -4.93 118.16 114.91 4trx n LYS 72 Ca 0.07 -0.97 0.03 0.00 -0.87 0.00 0.00 58.31 56.56 4trx n LYS 72 Cb 0.54 -0.28 -0.04 0.00 0.02 0.00 0.00 35.03 35.27 4trx n LYS 72 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 4trx s THR 74 N 2.11 4.69 0.58 0.00 -4.23 -1.26 -4.13 115.64 113.40 4trx s THR 74 Ca -0.02 -0.90 -0.14 0.00 -1.18 0.00 0.00 61.69 59.45 4trx s THR 74 Cb -0.03 -3.36 -0.05 0.00 1.34 0.00 0.00 72.50 70.40 4trx s THR 74 CO -0.16 -0.04 1.02 -2.16 -0.54 0.00 0.00 174.62 172.74 4trx s PRO 75 N -2.93 3.67 -0.10 3.99 0.04 -1.26 -4.92 135.00 133.49 4trx s PRO 75 Ca 0.31 0.89 -0.01 0.00 0.04 0.00 0.00 61.00 62.23 4trx s PRO 75 Cb -0.11 -2.09 0.03 0.00 0.04 0.00 0.00 34.50 32.37 4trx s PRO 75 CO 0.24 -0.51 -0.01 0.99 0.04 0.00 0.00 177.00 177.75 4trx s THR 76 N -2.89 0.57 -0.11 1.26 2.01 -0.41 -2.68 115.64 113.39 4trx s THR 76 Ca 0.57 -0.08 -0.16 0.00 0.31 0.00 0.00 61.69 62.33 4trx s THR 76 Cb -0.11 -0.74 -0.05 0.00 0.01 0.00 0.00 72.50 71.61 4trx s THR 76 CO 0.43 0.22 0.40 -0.36 -0.69 0.00 0.00 174.62 174.63 4trx s PHE 77 N 1.89 3.54 0.18 4.92 0.08 -0.98 -1.01 117.98 126.59 4trx s PHE 77 Ca 0.04 0.81 0.10 0.00 0.12 0.00 0.00 56.93 58.00 4trx s PHE 77 Cb -0.13 -2.43 -0.04 0.00 -0.57 0.00 0.00 43.02 39.85 4trx s PHE 77 CO -0.06 0.29 -0.23 -0.65 -0.10 0.00 0.00 175.22 174.47 4trx s GLN 78 N 0.23 1.42 -0.21 0.44 -0.21 -0.61 -1.74 119.66 118.97 4trx s GLN 78 Ca 0.22 -1.46 0.02 0.00 0.02 0.00 0.00 55.36 54.16 4trx s GLN 78 Cb -0.15 -1.68 0.04 0.00 1.00 0.00 0.00 33.01 32.22 4trx s GLN 78 CO 0.09 0.36 -0.14 -0.06 -2.12 0.00 0.00 175.29 173.42 4trx s PHE 79 N -1.69 2.86 0.05 0.91 0.40 0.87 -0.67 117.98 120.70 4trx s PHE 79 Ca 0.18 -1.88 0.05 0.00 -0.60 0.00 0.00 56.93 54.69 4trx s PHE 79 Cb -0.08 -1.85 -0.04 0.00 0.51 0.00 0.00 43.02 41.57 4trx s PHE 79 CO 0.08 -0.82 -0.11 -0.06 0.70 0.00 0.00 175.22 175.02 4trx s PHE 80 N 1.25 2.76 -0.05 0.36 0.08 0.81 -1.46 117.98 121.72 4trx s PHE 80 Ca -0.02 -0.13 -0.04 0.00 0.12 0.00 0.00 56.93 56.86 4trx s PHE 80 Cb -0.16 -1.52 0.02 0.00 -0.57 0.00 0.00 43.02 40.79 4trx s PHE 80 CO -0.09 0.36 0.13 0.21 -0.10 0.00 0.00 175.22 175.73 4trx s LYS 81 N -1.68 0.13 -0.62 0.44 2.20 0.33 -1.55 119.74 118.99 4trx s LYS 81 Ca 0.18 0.25 0.00 0.00 -0.36 0.00 0.00 55.97 56.04 4trx s LYS 81 Cb -0.11 -0.02 0.00 0.00 -1.51 0.00 0.00 37.83 36.19 4trx s LYS 81 CO 0.09 -0.07 0.00 1.63 -0.36 0.00 0.00 175.35 176.64 4trx n LYS 82 N 3.46 -1.34 -1.31 4.03 5.02 -1.25 0.16 118.16 126.93 4trx n LYS 82 Ca -0.18 0.38 0.00 0.00 -2.02 0.00 0.00 58.31 56.50 4trx n LYS 82 Cb 0.56 -4.32 0.00 0.00 -0.02 0.00 0.00 35.03 31.25 4trx n LYS 82 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 4trx n GLY 83 N -0.03 1.00 3.00 0.72 0.00 -1.26 -5.02 105.19 103.60 4trx n GLY 83 Ca -0.06 -0.49 -0.13 0.00 0.00 0.00 0.00 46.02 45.34 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 -2.88 0.16 0.16 1.61 0.74 0.43 -5.11 119.66 114.77 4trx s GLN 84 Ca 0.00 0.52 -0.31 0.00 0.05 0.00 0.00 55.36 55.62 4trx s GLN 84 Cb 0.00 -0.14 -0.09 0.00 1.10 0.00 0.00 33.01 33.88 4trx s GLN 84 CO 0.00 -0.19 1.42 0.21 -0.55 0.00 0.00 175.29 176.18 4trx s LYS 85 N 1.44 4.31 0.00 1.67 2.20 -1.26 -0.51 119.74 127.58 4trx s LYS 85 Ca -0.07 2.16 0.00 0.00 -0.36 0.00 0.00 55.97 57.69 4trx s LYS 85 Cb -0.11 -3.20 0.00 0.00 -1.51 0.00 0.00 37.83 33.01 4trx s LYS 85 CO -0.08 -0.43 0.00 1.33 -0.36 0.00 0.00 175.35 175.81 4trx n VAL 86 N 3.49 0.00 -3.87 4.02 0.24 -0.54 -4.93 118.33 116.74 4trx n VAL 86 Ca 0.10 0.00 -0.10 0.00 -2.04 0.00 0.00 64.34 62.30 4trx n VAL 86 Cb 0.41 0.17 -0.09 0.00 -1.47 0.00 0.00 33.84 32.87 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 -1.12 0.07 -0.30 7.63 0.00 -1.18 -5.02 107.32 107.41 4trx s GLY 87 Ca 0.00 -0.34 -0.15 0.00 0.00 0.00 0.00 44.72 44.23 4trx s GLY 87 CO 0.00 -0.50 0.96 1.85 0.00 0.00 0.00 173.10 175.40 4trx s GLU 88 N -2.49 0.35 -0.09 2.90 2.12 -1.26 -0.09 118.70 120.14 4trx s GLU 88 Ca -0.06 0.77 -0.05 0.00 0.36 0.00 0.00 54.97 55.99 4trx s GLU 88 Cb -0.02 0.35 0.04 0.00 0.26 0.00 0.00 34.13 34.76 4trx s GLU 88 CO -0.04 -0.10 0.21 -0.59 -0.54 0.00 0.00 175.26 174.20 4trx s PHE 89 N 2.11 -0.26 0.48 5.30 -0.12 -0.71 -5.03 117.98 119.75 4trx s PHE 89 Ca -0.05 0.64 0.08 0.00 -0.05 0.00 0.00 56.93 57.55 4trx s PHE 89 Cb -0.06 0.02 0.03 0.00 -0.63 0.00 0.00 43.02 42.38 4trx s PHE 89 CO -0.17 -0.19 0.58 -1.54 -0.05 0.00 0.00 175.22 173.85 4trx s SER 90 N 0.98 5.24 0.00 1.98 1.04 -1.26 -2.31 113.70 119.38 4trx s SER 90 Ca -0.07 -0.71 0.00 0.00 0.48 0.00 0.00 55.95 55.65 4trx s SER 90 Cb -0.09 -0.23 0.00 0.00 0.10 0.00 0.00 66.02 65.80 4trx s SER 90 CO -0.06 -0.95 0.00 0.61 0.98 0.00 0.00 173.24 173.82 4trx n GLY 91 N -1.89 3.07 0.86 7.32 0.00 -1.09 -4.74 105.19 108.71 4trx n GLY 91 Ca 0.08 -1.76 0.00 0.00 0.00 0.00 0.00 46.02 44.34 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 -0.21 2.00 -2.36 4.61 0.00 -1.26 -4.75 120.51 118.53 4trx n ALA 92 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 4trx n ALA 92 Cb 0.00 -1.00 -0.02 0.00 0.00 0.00 0.00 19.45 18.43 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 0.60 6.18 -0.22 0.00 3.04 -1.26 -4.81 114.94 118.47 4trx s ASN 93 Ca 0.00 0.50 0.13 0.00 0.04 0.00 0.00 52.86 53.53 4trx s ASN 93 Cb 0.00 -2.54 -0.22 0.00 -1.54 0.00 0.00 41.25 36.94 4trx s ASN 93 CO 0.00 -1.62 -0.02 2.29 -3.04 0.00 0.00 177.10 174.70 4trx n LYS 94 N 8.45 0.68 0.17 0.43 2.85 -1.26 -4.21 118.16 125.26 4trx n LYS 94 Ca 0.14 0.05 0.13 0.00 -1.05 0.00 0.00 58.31 57.58 4trx n LYS 94 Cb 0.49 -1.52 0.55 0.00 -0.65 0.00 0.00 35.03 33.89 4trx n LYS 94 CO 0.00 0.00 0.00 1.05 -0.05 0.00 0.00 177.40 178.40 4trx h GLU 95 N 0.00 0.00 0.10 -1.58 9.09 -2.01 -2.62 114.58 117.56 4trx h GLU 95 Ca -0.56 0.00 -0.27 0.00 0.05 0.00 0.00 59.36 58.58 4trx h GLU 95 Cb 2.13 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 29.23 4trx h GLU 95 CO -0.01 0.00 -1.28 -0.22 0.05 0.00 0.00 179.01 177.55 4trx h LYS 96 N 0.00 0.21 -0.83 1.06 1.63 -1.97 -3.34 116.57 113.32 4trx h LYS 96 Ca 0.00 -0.35 0.13 0.00 -0.85 0.00 0.00 60.65 59.58 4trx h LYS 96 Cb 0.37 0.13 -0.14 0.00 -0.60 0.00 0.00 32.23 31.99 4trx h LYS 96 CO 0.00 1.13 -0.38 -0.07 -3.45 0.00 0.00 179.45 176.68 4trx h LEU 97 N 0.06 -1.35 0.00 5.20 3.38 -1.63 0.25 115.31 121.21 4trx h LEU 97 Ca -0.14 0.28 0.00 0.00 0.09 0.00 0.00 57.88 58.11 4trx h LEU 97 Cb 1.95 0.69 0.00 0.00 0.09 0.00 0.00 40.66 43.39 4trx h LEU 97 CO 0.18 -0.30 0.00 1.21 0.09 0.00 0.00 178.44 179.62 4trx n GLU 98 N -5.45 0.00 -0.34 1.13 4.07 -1.25 0.10 120.64 118.89 4trx n GLU 98 Ca 0.07 0.70 0.19 0.00 -0.06 0.00 0.00 57.16 58.07 4trx n GLU 98 Cb 0.38 -1.38 0.42 0.00 -0.06 0.00 0.00 31.44 30.80 4trx n GLU 98 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 4trx h ALA 99 N -1.51 1.92 -0.56 4.31 0.00 -1.61 0.31 119.26 122.12 4trx h ALA 99 Ca 0.00 0.10 0.02 0.00 0.00 0.00 0.00 54.91 55.03 4trx h ALA 99 Cb 0.00 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 4trx h ALA 99 CO 0.00 -0.37 0.35 1.15 0.00 0.00 0.00 179.25 180.38 4trx h THR 100 N 0.53 1.10 -0.97 0.00 2.02 0.86 -0.92 112.91 115.53 4trx h THR 100 Ca 0.63 -0.24 0.02 0.00 0.77 0.00 0.00 66.41 67.59 4trx h THR 100 Cb 1.30 0.32 -0.05 0.00 -1.74 0.00 0.00 68.15 67.99 4trx h THR 100 CO -0.42 0.13 0.64 0.40 0.37 0.00 0.00 175.52 176.64 4trx h ILE 101 N 0.71 1.22 0.00 3.11 1.08 0.35 0.53 117.51 124.50 4trx h ILE 101 Ca 0.22 -0.44 0.00 0.00 -0.39 0.00 0.00 64.86 64.25 4trx h ILE 101 Cb -0.02 -0.17 0.00 0.00 -3.07 0.00 0.00 36.82 33.56 4trx h ILE 101 CO -0.08 0.23 0.00 -3.20 -0.69 0.00 0.00 178.15 174.42 4trx n ASN 102 N -4.41 0.32 0.01 1.72 2.85 -0.44 -0.43 115.26 114.88 4trx n ASN 102 Ca 0.12 0.61 -0.18 0.00 -0.11 0.00 0.00 54.58 55.02 4trx n ASN 102 Cb 0.05 -0.67 -0.11 0.00 1.24 0.00 0.00 39.78 40.29 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 0.49 -0.01 1.20 4.81 0.97 -3.33 114.58 118.71 4trx h GLU 103 Ca 0.00 -0.51 0.00 0.00 -0.13 0.00 0.00 59.36 58.72 4trx h GLU 103 Cb 0.14 0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.67 4trx h GLU 103 CO 0.00 1.15 -0.59 1.28 -0.73 0.00 0.00 179.01 180.12 4trx n LEU 104 N -4.14 1.38 0.00 1.64 4.77 -0.89 -5.12 117.00 114.65 4trx n LEU 104 Ca -0.10 -0.65 0.00 0.00 -0.03 0.00 0.00 56.01 55.23 4trx n LEU 104 Cb 0.72 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.81 4trx n LEU 104 CO 0.49 0.28 0.16 0.55 -1.33 0.00 0.00 177.39 177.54