#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 1.68 -4.30 2.03 0.31 -1.26 -4.75 118.33 112.03 4trx n VAL 2 Ca 0.00 -0.50 -0.34 0.00 -0.01 0.00 0.00 64.34 63.49 4trx n VAL 2 Cb 0.00 -0.51 -0.11 0.00 -0.91 0.00 0.00 33.84 32.31 4trx n VAL 2 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 4trx s LYS 3 N -1.60 3.71 -0.15 5.55 2.20 0.14 -4.94 119.74 124.65 4trx s LYS 3 Ca 0.64 -0.47 -0.13 0.00 -0.36 0.00 0.00 55.97 55.64 4trx s LYS 3 Cb -0.57 -2.98 -0.05 0.00 -1.51 0.00 0.00 37.83 32.72 4trx s LYS 3 CO 0.58 0.28 0.29 -1.14 -0.36 0.00 0.00 175.35 175.00 4trx s GLN 4 N 0.28 4.21 0.53 4.03 0.74 -1.26 -0.18 119.66 128.01 4trx s GLN 4 Ca -0.01 0.09 0.01 0.00 0.05 0.00 0.00 55.36 55.49 4trx s GLN 4 Cb -0.14 -3.41 0.02 0.00 1.10 0.00 0.00 33.01 30.59 4trx s GLN 4 CO 0.02 0.28 0.76 0.42 -0.55 0.00 0.00 175.29 176.21 4trx s ILE 5 N 0.36 3.02 0.00 -2.34 -1.09 -1.18 -4.97 121.20 115.00 4trx s ILE 5 Ca 0.16 -0.60 0.00 0.00 -2.23 0.00 0.00 60.65 57.99 4trx s ILE 5 Cb -0.13 -3.13 0.00 0.00 -1.58 0.00 0.00 42.46 37.62 4trx s ILE 5 CO 0.04 -0.10 0.23 -1.84 -1.23 0.00 0.00 174.94 172.05 4trx n GLU 6 N -2.30 0.00 0.00 2.79 0.28 -1.26 -4.79 120.64 115.36 4trx n GLU 6 Ca 0.06 -0.13 0.00 0.00 -0.16 0.00 0.00 57.16 56.93 4trx n GLU 6 Cb 0.59 -0.10 0.00 0.00 1.43 0.00 0.00 31.44 33.36 4trx n GLU 6 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 177.13 175.84 4trx n SER 7 N 0.00 0.00 -0.03 -1.84 3.41 -1.26 -4.90 113.62 109.00 4trx n SER 7 Ca 0.00 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.48 4trx n SER 7 Cb 0.51 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.37 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 0.11 -1.07 4.33 3.64 -1.95 -1.73 116.57 119.91 4trx h LYS 8 Ca 0.00 -0.06 0.29 0.00 -1.27 0.00 0.00 60.65 59.61 4trx h LYS 8 Cb 0.00 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 31.75 4trx h LYS 8 CO 0.00 0.55 0.73 1.15 -2.27 0.00 0.00 179.45 179.61 4trx h THR 9 N -0.32 0.49 0.05 1.00 2.02 -2.01 0.33 112.91 114.47 4trx h THR 9 Ca 0.01 -0.08 -0.00 0.00 0.77 0.00 0.00 66.41 67.11 4trx h THR 9 Cb 0.52 0.24 0.00 0.00 -1.74 0.00 0.00 68.15 67.17 4trx h THR 9 CO 0.01 0.04 -0.03 0.00 0.37 0.00 0.00 175.52 175.92 4trx h ALA 10 N 1.55 -0.07 -1.49 6.16 0.00 -1.89 -3.08 119.26 120.42 4trx h ALA 10 Ca 0.57 -0.31 0.43 0.00 0.00 0.00 0.00 54.91 55.60 4trx h ALA 10 Cb 1.78 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 19.53 4trx h ALA 10 CO -0.18 -0.18 1.18 0.35 0.00 0.00 0.00 179.25 180.42 4trx h PHE 11 N -0.80 0.00 0.20 0.00 3.57 -0.02 0.25 116.94 120.15 4trx h PHE 11 Ca -0.01 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.48 4trx h PHE 11 Cb 0.64 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.38 4trx h PHE 11 CO 0.15 0.00 -0.10 1.96 -2.23 0.00 0.00 178.31 178.09 4trx h GLN 12 N 0.00 -0.26 -0.45 1.11 1.08 -1.39 -3.13 115.11 112.06 4trx h GLN 12 Ca 0.71 0.02 0.13 0.00 -1.45 0.00 0.00 58.65 58.06 4trx h GLN 12 Cb 3.06 0.06 -0.02 0.00 -0.05 0.00 0.00 27.48 30.53 4trx h GLN 12 CO -0.01 -0.17 0.33 0.93 -0.95 0.00 0.00 178.83 178.96 4trx h GLU 13 N -1.06 0.00 -0.71 1.46 5.08 -0.80 0.00 114.58 118.55 4trx h GLU 13 Ca -0.03 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.28 4trx h GLU 13 Cb 0.20 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.42 4trx h GLU 13 CO 0.04 0.00 0.25 0.00 -1.00 0.00 0.00 179.01 178.31 4trx h ALA 14 N 1.77 0.93 0.00 3.43 0.00 -0.70 0.13 119.26 124.82 4trx h ALA 14 Ca 0.22 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.92 4trx h ALA 14 Cb 0.87 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.39 4trx h ALA 14 CO -0.00 0.58 0.00 1.28 0.00 0.00 0.00 179.25 181.10 4trx n LEU 15 N -4.33 0.58 0.02 0.00 4.77 -0.05 -2.18 117.00 115.80 4trx n LEU 15 Ca 0.05 0.61 0.05 0.00 -0.03 0.00 0.00 56.01 56.69 4trx n LEU 15 Cb 0.20 -0.49 -0.10 0.00 -2.33 0.00 0.00 43.42 40.70 4trx n LEU 15 CO 0.41 -0.38 -0.51 -0.67 -1.33 0.00 0.00 177.39 174.91 4trx n ASP 16 N -2.10 0.43 0.04 -1.43 2.03 -0.48 -4.01 116.55 111.04 4trx n ASP 16 Ca 0.04 0.18 0.12 0.00 0.52 0.00 0.00 54.79 55.64 4trx n ASP 16 Cb 0.29 0.99 0.19 0.00 -0.72 0.00 0.00 41.12 41.87 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 -2.35 3.11 0.70 -1.67 0.00 0.34 -3.63 120.51 117.01 4trx n ALA 17 Ca -0.09 -0.28 0.04 0.00 0.00 0.00 0.00 53.44 53.11 4trx n ALA 17 Cb 0.72 -1.15 0.15 0.00 0.00 0.00 0.00 19.45 19.17 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 -1.74 2.70 -0.69 0.00 0.00 -0.93 -5.00 120.51 114.86 4trx n ALA 18 Ca 0.04 -0.64 0.00 0.00 0.00 0.00 0.00 53.44 52.84 4trx n ALA 18 Cb 0.41 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.85 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 0.69 2.77 0.00 0.00 0.00 -1.24 -3.18 105.19 104.24 4trx n GLY 19 Ca 0.11 -0.23 0.05 0.00 0.00 0.00 0.00 46.02 45.95 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 1.48 1.26 -4.23 1.61 9.92 -1.26 -4.60 116.55 120.73 4trx n ASP 20 Ca 0.00 -0.46 -0.36 0.00 -0.53 0.00 0.00 54.79 53.45 4trx n ASP 20 Cb 0.00 1.21 0.06 0.00 -0.64 0.00 0.00 41.12 41.75 4trx n ASP 20 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 4trx n LYS 21 N -1.52 -0.02 -1.58 -1.24 5.02 -1.19 -4.50 118.16 113.13 4trx n LYS 21 Ca 0.00 0.02 -0.42 0.00 -2.02 0.00 0.00 58.31 55.89 4trx n LYS 21 Cb 0.22 -1.39 0.01 0.00 -0.02 0.00 0.00 35.03 33.86 4trx n LYS 21 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 4trx n LEU 22 N 1.37 2.05 -3.65 -0.35 0.00 -1.26 -4.76 117.00 110.40 4trx n LEU 22 Ca 0.04 1.02 -0.29 0.00 0.00 0.00 0.00 56.01 56.77 4trx n LEU 22 Cb 0.53 -1.30 -0.13 0.00 0.00 0.00 0.00 43.42 42.51 4trx n LEU 22 CO 0.52 -1.76 -0.29 -0.69 0.00 0.00 0.00 177.39 175.17 4trx s VAL 23 N -1.29 0.89 -0.23 1.96 1.01 -0.67 -1.43 120.40 120.63 4trx s VAL 23 Ca 0.63 -1.93 -0.12 0.00 0.00 0.00 0.00 61.98 60.56 4trx s VAL 23 Cb -0.58 -1.64 -0.05 0.00 0.00 0.00 0.00 36.38 34.11 4trx s VAL 23 CO 0.57 -0.84 0.23 -0.69 0.00 0.00 0.00 175.10 174.37 4trx s VAL 24 N 0.98 5.31 0.15 2.92 1.01 -1.04 0.21 120.40 129.94 4trx s VAL 24 Ca 0.15 0.33 0.00 0.00 0.00 0.00 0.00 61.98 62.46 4trx s VAL 24 Cb -0.22 -3.57 -0.04 0.00 0.00 0.00 0.00 36.38 32.56 4trx s VAL 24 CO -0.09 0.31 0.32 -0.69 0.00 0.00 0.00 175.10 174.95 4trx s VAL 25 N 1.18 5.27 -0.47 2.92 1.01 0.47 -2.64 120.40 128.14 4trx s VAL 25 Ca 0.11 -0.43 0.03 0.00 0.00 0.00 0.00 61.98 61.69 4trx s VAL 25 Cb -0.14 -3.71 0.13 0.00 0.00 0.00 0.00 36.38 32.66 4trx s VAL 25 CO 0.06 -0.07 0.23 -0.62 0.00 0.00 0.00 175.10 174.71 4trx s ASP 26 N -2.99 4.10 -0.66 3.32 2.15 -0.81 -2.00 116.67 119.78 4trx s ASP 26 Ca 0.37 -2.79 -0.27 0.00 0.43 0.00 0.00 52.55 50.29 4trx s ASP 26 Cb -0.11 -1.41 0.02 0.00 -0.30 0.00 0.00 42.92 41.11 4trx s ASP 26 CO 0.28 -0.26 1.42 -0.36 -0.17 0.00 0.00 175.17 176.08 4trx s PHE 27 N 0.06 2.19 0.26 -5.34 0.08 -0.12 -2.49 117.98 112.61 4trx s PHE 27 Ca 0.17 0.26 -0.02 0.00 0.12 0.00 0.00 56.93 57.46 4trx s PHE 27 Cb -0.25 -4.46 -0.03 0.00 -0.57 0.00 0.00 43.02 37.71 4trx s PHE 27 CO -0.01 -2.07 0.27 -1.54 -0.10 0.00 0.00 175.22 171.77 4trx s SER 28 N 4.67 0.53 -0.06 1.36 1.04 -1.02 -1.29 113.70 118.92 4trx s SER 28 Ca 0.46 -1.40 -0.17 0.00 0.48 0.00 0.00 55.95 55.32 4trx s SER 28 Cb -0.09 0.49 -0.05 0.00 0.10 0.00 0.00 66.02 66.47 4trx s SER 28 CO 0.19 -1.00 0.46 0.00 0.98 0.00 0.00 173.24 173.87 4trx s ALA 29 N -3.83 3.56 -0.11 5.32 0.00 -1.26 -2.31 121.76 123.12 4trx s ALA 29 Ca 0.35 -0.18 -0.15 0.00 0.00 0.00 0.00 51.96 51.98 4trx s ALA 29 Cb 0.04 -2.56 -0.26 0.00 0.00 0.00 0.00 23.12 20.33 4trx s ALA 29 CO 0.16 0.19 0.51 0.00 0.00 0.00 0.00 175.76 176.62 4trx h THR 30 N 4.30 0.99 -0.50 0.00 1.03 -1.93 -3.36 112.91 113.43 4trx h THR 30 Ca -0.45 -2.38 0.03 0.00 -0.01 0.00 0.00 66.41 63.60 4trx h THR 30 Cb 1.19 2.66 -0.04 0.00 -1.07 0.00 0.00 68.15 70.90 4trx h THR 30 CO 0.70 0.69 0.29 4.11 -0.01 0.00 0.00 175.52 181.30 4trx h TRP 31 N -0.32 0.53 -3.42 0.00 5.08 -2.00 -3.43 115.95 112.39 4trx h TRP 31 Ca -0.32 0.02 -0.48 0.00 1.08 0.00 0.00 58.89 59.19 4trx h TRP 31 Cb 1.75 -0.17 0.21 0.00 -3.00 0.00 0.00 29.16 27.96 4trx h TRP 31 CO 0.12 0.29 -0.19 0.00 -1.28 0.00 0.00 178.44 177.38 4trx n GLY 33 N 1.02 -0.41 0.12 0.00 0.00 -1.26 -4.40 105.19 100.26 4trx n GLY 33 Ca 0.06 -0.03 0.04 0.00 0.00 0.00 0.00 46.02 46.09 4trx n GLY 33 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 4trx n PRO 34 N -2.72 0.06 0.14 1.61 -0.02 -1.26 -0.13 135.00 132.68 4trx n PRO 34 Ca -0.01 0.48 -0.24 0.00 -2.02 0.00 0.00 63.50 61.70 4trx n PRO 34 Cb 0.05 -2.02 -0.16 0.00 -0.02 0.00 0.00 33.50 31.35 4trx n PRO 34 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 4trx h LYS 36 N 0.14 0.00 -1.38 0.00 3.64 -0.71 -3.32 116.57 114.94 4trx h LYS 36 Ca -0.27 0.00 0.40 0.00 -1.27 0.00 0.00 60.65 59.51 4trx h LYS 36 Cb 2.16 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 33.93 4trx h LYS 36 CO 0.26 0.02 1.16 0.52 -2.27 0.00 0.00 179.45 179.14 4trx h MET 37 N 0.00 0.00 -1.21 1.90 2.86 -1.24 2.28 114.93 119.52 4trx h MET 37 Ca -0.01 0.00 -0.28 0.00 -2.06 0.00 0.00 59.70 57.35 4trx h MET 37 Cb 1.03 0.00 -0.15 0.00 0.06 0.00 0.00 31.60 32.54 4trx h MET 37 CO 0.00 0.00 0.36 -0.89 1.06 0.00 0.00 176.91 177.45 4trx n ILE 38 N -3.74 2.37 0.05 -1.22 2.08 -1.25 -4.31 119.36 113.34 4trx n ILE 38 Ca 0.31 -1.24 -0.22 0.00 0.56 0.00 0.00 62.75 62.16 4trx n ILE 38 Cb 1.59 -0.99 -0.14 0.00 -0.75 0.00 0.00 39.64 39.35 4trx n ILE 38 CO 0.00 0.00 0.00 0.50 0.56 0.00 0.00 176.55 177.61 4trx h LYS 39 N 0.89 0.33 0.00 0.38 3.64 0.36 -3.21 116.57 118.97 4trx h LYS 39 Ca 0.30 -0.57 0.00 0.00 -1.27 0.00 0.00 60.65 59.11 4trx h LYS 39 Cb 1.50 0.21 0.00 0.00 -0.41 0.00 0.00 32.23 33.53 4trx h LYS 39 CO 0.63 1.27 0.00 -2.30 -2.27 0.00 0.00 179.45 176.79 4trx n PRO 40 N -3.77 0.24 -0.09 1.90 -0.02 -1.26 0.26 135.00 132.26 4trx n PRO 40 Ca -0.24 0.00 -0.19 0.00 -2.02 0.00 0.00 63.50 61.05 4trx n PRO 40 Cb 0.99 -1.48 -0.06 0.00 -0.02 0.00 0.00 33.50 32.93 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 -0.98 0.00 0.06 6.00 3.01 -1.25 -4.01 117.46 120.30 4trx n PHE 41 Ca 0.05 0.00 -0.11 0.00 1.01 0.00 0.00 57.45 58.40 4trx n PHE 41 Cb 0.03 -0.66 -0.13 0.00 -0.01 0.00 0.00 39.48 38.71 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 -0.73 0.19 -0.00 1.38 3.57 -1.50 -3.26 116.94 116.59 4trx h PHE 42 Ca -0.41 -0.14 0.00 0.00 3.53 0.00 0.00 57.97 60.95 4trx h PHE 42 Cb 1.31 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 40.04 4trx h PHE 42 CO -0.12 1.14 -0.19 1.58 -2.23 0.00 0.00 178.31 178.49 4trx n HIS 43 N -3.36 0.00 1.23 0.41 -0.00 0.14 -3.32 115.22 110.32 4trx n HIS 43 Ca -0.08 0.00 0.13 0.00 0.46 0.00 0.00 57.72 58.24 4trx n HIS 43 Cb 1.00 -0.33 0.47 0.00 -0.12 0.00 0.00 29.99 31.01 4trx n HIS 43 CO 0.00 0.00 0.00 -1.13 0.46 0.00 0.00 176.34 175.67 4trx n SER 44 N -1.34 0.56 -0.04 0.26 3.41 -1.23 -3.44 113.62 111.80 4trx n SER 44 Ca 0.09 -0.45 0.13 0.00 -0.26 0.00 0.00 58.87 58.38 4trx n SER 44 Cb 0.32 -0.00 0.48 0.00 -0.26 0.00 0.00 64.21 64.74 4trx n SER 44 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 4trx n LEU 45 N -1.07 0.36 0.00 1.04 4.77 -1.21 -3.51 117.00 117.39 4trx n LEU 45 Ca 0.11 0.15 0.07 0.00 -0.03 0.00 0.00 56.01 56.31 4trx n LEU 45 Cb 0.31 -0.30 0.35 0.00 -2.33 0.00 0.00 43.42 41.45 4trx n LEU 45 CO 0.27 0.08 0.72 -1.20 -1.33 0.00 0.00 177.39 175.93 4trx n SER 46 N -1.30 0.00 -0.12 -1.43 7.64 -1.22 -2.10 113.62 115.08 4trx n SER 46 Ca 0.09 0.29 -0.25 0.00 1.01 0.00 0.00 58.87 60.01 4trx n SER 46 Cb 0.32 -0.40 -0.08 0.00 -1.01 0.00 0.00 64.21 63.04 4trx n SER 46 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 4trx n GLU 47 N -1.40 0.53 0.09 1.43 1.02 -1.23 -4.74 120.64 116.35 4trx n GLU 47 Ca 0.05 0.23 -0.04 0.00 -0.02 0.00 0.00 57.16 57.39 4trx n GLU 47 Cb 0.15 -1.40 -0.02 0.00 -0.02 0.00 0.00 31.44 30.15 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 -0.92 -0.25 -5.89 3.49 1.63 -1.72 -3.38 116.57 109.53 4trx h LYS 48 Ca -0.57 0.02 -0.45 0.00 -0.85 0.00 0.00 60.65 58.79 4trx h LYS 48 Cb 1.49 0.06 -0.07 0.00 -0.60 0.00 0.00 32.23 33.10 4trx h LYS 48 CO -0.35 -0.17 1.16 0.71 -3.45 0.00 0.00 179.45 177.35 4trx s TYR 49 N -2.52 2.18 -0.99 1.91 2.02 -0.89 -4.69 117.35 114.37 4trx s TYR 49 Ca -0.04 -0.14 0.24 0.00 -0.37 0.00 0.00 57.07 56.76 4trx s TYR 49 Cb 0.00 -4.37 0.34 0.00 -0.40 0.00 0.00 41.96 37.53 4trx s TYR 49 CO 0.11 -1.81 1.30 -1.13 -1.57 0.00 0.00 175.55 172.45 4trx n SER 50 N 11.45 0.61 0.11 2.29 3.41 -1.26 -3.82 113.62 126.41 4trx n SER 50 Ca 0.37 -0.41 0.12 0.00 -0.26 0.00 0.00 58.87 58.69 4trx n SER 50 Cb 0.49 0.42 0.09 0.00 -0.26 0.00 0.00 64.21 64.95 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 0.00 -2.95 4.04 -0.00 -1.96 -3.46 115.58 111.26 4trx h ASN 51 Ca 0.00 -0.06 -0.63 0.00 -0.00 0.00 0.00 56.30 55.61 4trx h ASN 51 Cb 0.51 0.00 -0.06 0.00 -0.00 0.00 0.00 38.32 38.77 4trx h ASN 51 CO 0.00 0.03 -0.52 -0.69 -0.00 0.00 0.00 177.43 176.25 4trx s VAL 52 N -3.28 5.19 -0.08 2.57 1.01 -1.25 -4.57 120.40 120.00 4trx s VAL 52 Ca 0.03 -0.39 -0.06 0.00 0.00 0.00 0.00 61.98 61.57 4trx s VAL 52 Cb 0.10 -3.48 -0.04 0.00 0.00 0.00 0.00 36.38 32.96 4trx s VAL 52 CO 0.75 0.21 0.16 -0.63 0.00 0.00 0.00 175.10 175.59 4trx s ILE 53 N -1.40 5.48 -0.01 2.22 -1.09 -0.51 -5.00 121.20 120.88 4trx s ILE 53 Ca 0.31 0.10 0.05 0.00 -2.23 0.00 0.00 60.65 58.87 4trx s ILE 53 Cb -0.13 -3.45 -0.01 0.00 -1.58 0.00 0.00 42.46 37.29 4trx s ILE 53 CO 0.23 0.52 -0.16 -0.36 -1.23 0.00 0.00 174.94 173.94 4trx s PHE 54 N -1.13 1.48 0.13 3.97 0.08 -1.26 -2.49 117.98 118.75 4trx s PHE 54 Ca 0.19 -0.29 0.05 0.00 0.12 0.00 0.00 56.93 57.00 4trx s PHE 54 Cb -0.12 -0.96 -0.04 0.00 -0.57 0.00 0.00 43.02 41.33 4trx s PHE 54 CO 0.09 -0.03 -0.11 -0.51 -0.10 0.00 0.00 175.22 174.55 4trx s LEU 55 N -0.36 2.46 -0.13 -0.37 1.02 -1.08 0.28 118.68 120.50 4trx s LEU 55 Ca 0.06 -0.90 -0.01 0.00 0.02 0.00 0.00 54.13 53.30 4trx s LEU 55 Cb -0.07 -0.39 0.04 0.00 0.02 0.00 0.00 46.19 45.79 4trx s LEU 55 CO -0.00 -0.26 -0.02 -0.70 0.02 0.00 0.00 176.35 175.39 4trx s GLU 56 N -3.15 0.97 -0.05 1.70 -6.30 0.75 -1.93 118.70 110.69 4trx s GLU 56 Ca 0.11 -0.21 -0.03 0.00 -2.50 0.00 0.00 54.97 52.34 4trx s GLU 56 Cb -0.01 -1.56 -0.04 0.00 0.00 0.00 0.00 34.13 32.52 4trx s GLU 56 CO 0.01 -0.40 0.10 0.08 0.02 0.00 0.00 175.26 175.07 4trx s VAL 57 N 1.82 4.97 -0.28 3.70 1.01 -1.04 -3.10 120.40 127.49 4trx s VAL 57 Ca 0.03 -0.18 -0.10 0.00 0.00 0.00 0.00 61.98 61.73 4trx s VAL 57 Cb -0.14 -3.22 -0.04 0.00 0.00 0.00 0.00 36.38 32.98 4trx s VAL 57 CO -0.07 0.47 0.17 -0.62 0.00 0.00 0.00 175.10 175.05 4trx s ASP 58 N -1.42 5.84 0.00 3.32 2.15 -1.26 -2.44 116.67 122.86 4trx s ASP 58 Ca 0.20 -0.08 -0.01 0.00 0.43 0.00 0.00 52.55 53.09 4trx s ASP 58 Cb -0.12 -2.08 -0.03 0.00 -0.30 0.00 0.00 42.92 40.39 4trx s ASP 58 CO 0.10 -0.06 1.89 1.33 -0.17 0.00 0.00 175.17 178.26 4trx n VAL 59 N 5.03 1.81 0.01 1.11 0.24 -0.98 -2.31 118.33 123.25 4trx n VAL 59 Ca -0.14 -0.54 0.00 0.00 -2.04 0.00 0.00 64.34 61.62 4trx n VAL 59 Cb 0.52 -1.49 0.00 0.00 -1.47 0.00 0.00 33.84 31.39 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 1.71 -0.04 -1.11 -1.34 2.03 -1.26 -4.67 116.55 111.87 4trx n ASP 60 Ca 0.05 0.05 0.12 0.00 0.52 0.00 0.00 54.79 55.52 4trx n ASP 60 Cb 0.47 0.09 0.25 0.00 -0.72 0.00 0.00 41.12 41.21 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 -2.58 3.31 -0.95 1.67 2.03 -1.22 -4.23 116.55 114.58 4trx n ASP 61 Ca 0.00 -1.97 0.00 0.00 0.52 0.00 0.00 54.79 53.35 4trx n ASP 61 Cb 0.00 -0.27 -0.00 0.00 -0.72 0.00 0.00 41.12 40.13 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 0.37 0.00 -0.64 0.00 -0.00 -1.74 0.48 115.11 113.59 4trx h GLN 63 Ca -0.17 0.00 -0.06 0.00 -0.00 0.00 0.00 58.65 58.42 4trx h GLN 63 Cb 1.53 0.00 -0.03 0.00 -0.00 0.00 0.00 27.48 28.98 4trx h GLN 63 CO -0.01 0.00 0.18 0.38 -0.00 0.00 0.00 178.83 179.38 4trx h ASP 64 N 0.00 0.93 0.23 0.06 3.04 -1.92 0.18 116.42 118.94 4trx h ASP 64 Ca 0.00 -0.17 -0.33 0.00 -3.24 0.00 0.00 57.03 53.29 4trx h ASP 64 Cb 0.74 -0.24 0.04 0.00 -1.04 0.00 0.00 39.33 38.82 4trx h ASP 64 CO 0.00 0.88 -1.44 0.58 -2.04 0.00 0.00 179.24 177.22 4trx h VAL 65 N 0.95 1.28 -0.28 4.15 2.07 -0.41 -3.13 116.25 120.88 4trx h VAL 65 Ca 0.21 -2.65 0.00 0.00 0.82 0.00 0.00 66.70 65.08 4trx h VAL 65 Cb 0.30 2.98 -0.01 0.00 -1.52 0.00 0.00 31.29 33.04 4trx h VAL 65 CO -0.00 0.80 0.18 0.00 0.02 0.00 0.00 177.57 178.56 4trx h ALA 66 N 0.18 0.36 0.00 1.67 0.00 -1.30 -0.26 119.26 119.91 4trx h ALA 66 Ca -0.25 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.63 4trx h ALA 66 Cb 2.12 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.80 4trx h ALA 66 CO 0.27 -0.15 0.00 0.77 0.00 0.00 0.00 179.25 180.14 4trx h SER 67 N 0.37 0.00 -0.09 0.00 0.02 -0.72 -0.48 113.55 112.65 4trx h SER 67 Ca 0.10 0.00 -0.20 0.00 -0.84 0.00 0.00 61.79 60.86 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 -0.02 0.00 -0.67 -0.08 -1.14 0.00 0.00 176.83 174.92 4trx h GLU 68 N 0.00 0.72 -0.02 3.45 4.22 -0.98 -2.59 114.58 119.37 4trx h GLU 68 Ca 0.00 -0.52 0.00 0.00 0.08 0.00 0.00 59.36 58.92 4trx h GLU 68 Cb 0.04 0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.37 4trx h GLU 68 CO 0.00 1.14 0.00 0.00 -2.18 0.00 0.00 179.01 177.97 4trx n GLU 70 N -0.19 -5.05 -2.91 0.00 -0.58 -0.80 -4.95 120.64 106.15 4trx n GLU 70 Ca 0.20 0.59 -0.31 0.00 -0.42 0.00 0.00 57.16 57.22 4trx n GLU 70 Cb 0.27 -5.26 -0.04 0.00 -0.57 0.00 0.00 31.44 25.84 4trx n GLU 70 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 4trx s VAL 71 N -3.54 4.72 0.00 2.62 1.01 -1.18 -4.97 120.40 119.06 4trx s VAL 71 Ca 0.28 0.79 0.06 0.00 0.00 0.00 0.00 61.98 63.11 4trx s VAL 71 Cb -0.14 -3.69 0.10 0.00 0.00 0.00 0.00 36.38 32.66 4trx s VAL 71 CO 0.83 -0.42 0.95 1.17 0.00 0.00 0.00 175.10 177.63 4trx n LYS 72 N -1.00 0.00 -3.59 2.72 4.81 -1.26 -4.87 118.16 114.96 4trx n LYS 72 Ca 0.03 -1.07 -0.02 0.00 -0.87 0.00 0.00 58.31 56.38 4trx n LYS 72 Cb 0.54 -0.20 -0.06 0.00 0.02 0.00 0.00 35.03 35.33 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 1.84 3.53 0.47 0.00 -4.23 -1.26 -4.07 115.64 111.92 4trx s THR 74 Ca -0.08 -1.52 -0.19 0.00 -1.18 0.00 0.00 61.69 58.73 4trx s THR 74 Cb -0.06 -2.77 -0.09 0.00 1.34 0.00 0.00 72.50 70.92 4trx s THR 74 CO -0.17 -0.12 0.97 -2.16 -0.54 0.00 0.00 174.62 172.60 4trx s PRO 75 N -2.92 4.06 -0.09 3.99 0.04 -1.26 -4.94 135.00 133.87 4trx s PRO 75 Ca 0.27 1.07 0.00 0.00 0.04 0.00 0.00 61.00 62.38 4trx s PRO 75 Cb -0.09 -2.15 0.02 0.00 0.04 0.00 0.00 34.50 32.32 4trx s PRO 75 CO 0.17 -0.18 -0.08 0.99 0.04 0.00 0.00 177.00 177.95 4trx s THR 76 N -2.36 0.94 -0.19 1.26 2.01 -0.41 -2.68 115.64 114.21 4trx s THR 76 Ca 0.61 -0.29 -0.09 0.00 0.31 0.00 0.00 61.69 62.23 4trx s THR 76 Cb -0.10 -0.94 -0.05 0.00 0.01 0.00 0.00 72.50 71.42 4trx s THR 76 CO 0.22 0.34 0.12 -0.36 -0.69 0.00 0.00 174.62 174.25 4trx s PHE 77 N 1.31 3.41 0.15 4.92 0.08 -1.03 -0.95 117.98 125.88 4trx s PHE 77 Ca -0.03 0.32 0.09 0.00 0.12 0.00 0.00 56.93 57.42 4trx s PHE 77 Cb -0.14 -2.12 -0.04 0.00 -0.57 0.00 0.00 43.02 40.15 4trx s PHE 77 CO -0.03 0.32 -0.20 -0.65 -0.10 0.00 0.00 175.22 174.56 4trx s GLN 78 N 0.21 1.25 -0.14 0.44 -0.21 -0.85 -1.81 119.66 118.55 4trx s GLN 78 Ca 0.08 -1.35 0.01 0.00 0.02 0.00 0.00 55.36 54.12 4trx s GLN 78 Cb -0.11 -1.40 -0.00 0.00 1.00 0.00 0.00 33.01 32.50 4trx s GLN 78 CO -0.01 0.30 -0.17 -0.06 -2.12 0.00 0.00 175.29 173.23 4trx s PHE 79 N -1.75 2.74 0.10 0.91 0.40 0.19 -0.40 117.98 120.17 4trx s PHE 79 Ca 0.13 -1.04 0.08 0.00 -0.60 0.00 0.00 56.93 55.51 4trx s PHE 79 Cb -0.07 -1.85 -0.03 0.00 0.51 0.00 0.00 43.02 41.57 4trx s PHE 79 CO 0.06 -0.46 -0.21 -0.06 0.70 0.00 0.00 175.22 175.25 4trx s PHE 80 N 0.71 1.81 -0.28 0.36 0.08 0.13 -1.46 117.98 119.34 4trx s PHE 80 Ca -0.08 -0.41 -0.19 0.00 0.12 0.00 0.00 56.93 56.37 4trx s PHE 80 Cb -0.16 -1.00 0.09 0.00 -0.57 0.00 0.00 43.02 41.38 4trx s PHE 80 CO 0.01 0.20 0.76 0.21 -0.10 0.00 0.00 175.22 176.30 4trx s LYS 81 N -1.84 0.69 0.00 0.44 2.20 0.13 -1.68 119.74 119.69 4trx s LYS 81 Ca 0.07 1.05 0.00 0.00 -0.36 0.00 0.00 55.97 56.72 4trx s LYS 81 Cb -0.10 0.22 0.00 0.00 -1.51 0.00 0.00 37.83 36.44 4trx s LYS 81 CO 0.04 -0.12 0.00 1.17 -0.36 0.00 0.00 175.35 176.08 4trx n LYS 82 N 3.61 0.00 0.00 4.03 3.00 -1.26 -2.16 118.16 125.38 4trx n LYS 82 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.13 4trx n LYS 82 Cb 0.57 -3.14 0.00 0.00 0.00 0.00 0.00 35.03 32.47 4trx n LYS 82 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 4trx n GLY 83 N -2.00 1.32 3.19 3.14 0.00 -1.26 -5.08 105.19 104.50 4trx n GLY 83 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.13 0.81 0.37 1.61 -2.07 -0.92 -5.15 119.66 114.18 4trx s GLN 84 Ca 0.00 -1.01 -0.24 0.00 -1.82 0.00 0.00 55.36 52.29 4trx s GLN 84 Cb 0.00 0.32 -0.10 0.00 -1.09 0.00 0.00 33.01 32.14 4trx s GLN 84 CO 0.00 -0.24 0.95 0.21 -1.32 0.00 0.00 175.29 174.89 4trx s LYS 85 N -3.87 4.42 0.00 9.60 2.20 -1.26 -0.70 119.74 130.13 4trx s LYS 85 Ca 0.06 1.26 0.00 0.00 -0.36 0.00 0.00 55.97 56.93 4trx s LYS 85 Cb 0.05 -2.54 0.00 0.00 -1.51 0.00 0.00 37.83 33.83 4trx s LYS 85 CO -0.11 0.13 0.00 1.33 -0.36 0.00 0.00 175.35 176.34 4trx n VAL 86 N 0.06 0.00 -3.72 4.02 0.24 -0.53 -4.90 118.33 113.50 4trx n VAL 86 Ca 0.04 0.00 -0.14 0.00 -2.04 0.00 0.00 64.34 62.20 4trx n VAL 86 Cb 0.52 -0.12 -0.08 0.00 -1.47 0.00 0.00 33.84 32.69 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 -1.13 -0.23 -0.29 7.63 0.00 -1.23 -5.01 107.32 107.06 4trx s GLY 87 Ca 0.00 0.46 -0.14 0.00 0.00 0.00 0.00 44.72 45.04 4trx s GLY 87 CO 0.00 0.22 0.81 -1.83 0.00 0.00 0.00 173.10 172.30 4trx s GLU 88 N -1.46 0.49 -0.07 2.90 -1.05 -1.26 0.53 118.70 118.78 4trx s GLU 88 Ca -0.12 1.07 -0.05 0.00 -0.15 0.00 0.00 54.97 55.72 4trx s GLU 88 Cb -0.04 0.46 0.03 0.00 -0.44 0.00 0.00 34.13 34.14 4trx s GLU 88 CO 0.04 -0.14 0.18 -0.59 0.95 0.00 0.00 175.26 175.70 4trx s PHE 89 N 2.24 -0.21 0.43 4.83 -0.12 -0.75 -5.02 117.98 119.38 4trx s PHE 89 Ca -0.06 0.53 0.08 0.00 -0.05 0.00 0.00 56.93 57.42 4trx s PHE 89 Cb -0.07 0.04 0.01 0.00 -0.63 0.00 0.00 43.02 42.36 4trx s PHE 89 CO -0.18 -0.13 0.55 -1.54 -0.05 0.00 0.00 175.22 173.87 4trx s SER 90 N 0.47 5.52 0.00 1.98 1.04 -1.26 -2.45 113.70 118.99 4trx s SER 90 Ca -0.03 -0.51 0.00 0.00 0.48 0.00 0.00 55.95 55.89 4trx s SER 90 Cb -0.04 -0.58 0.00 0.00 0.10 0.00 0.00 66.02 65.49 4trx s SER 90 CO -0.02 -0.78 0.00 0.61 0.98 0.00 0.00 173.24 174.03 4trx n GLY 91 N -1.82 3.38 1.33 7.32 0.00 -1.09 -4.80 105.19 109.51 4trx n GLY 91 Ca 0.08 -1.67 0.00 0.00 0.00 0.00 0.00 46.02 44.43 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 -0.49 2.65 -2.79 4.61 0.00 -1.26 -4.72 120.51 118.50 4trx n ALA 92 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.01 4trx n ALA 92 Cb 0.00 -1.17 -0.03 0.00 0.00 0.00 0.00 19.45 18.25 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 1.50 6.29 -0.02 0.00 3.04 -1.26 -4.81 114.94 119.67 4trx s ASN 93 Ca 0.00 -1.15 0.12 0.00 0.04 0.00 0.00 52.86 51.87 4trx s ASN 93 Cb 0.00 -2.45 -0.23 0.00 -1.54 0.00 0.00 41.25 37.03 4trx s ASN 93 CO 0.00 -1.44 0.74 0.07 -3.04 0.00 0.00 177.10 173.43 4trx h LYS 94 N 9.53 0.00 0.00 0.43 2.10 -2.01 -3.32 116.57 123.30 4trx h LYS 94 Ca -0.16 -0.01 -0.02 0.00 -2.00 0.00 0.00 60.65 58.46 4trx h LYS 94 Cb 1.05 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.38 4trx h LYS 94 CO 1.21 0.56 -0.11 1.49 -2.00 0.00 0.00 179.45 180.60 4trx h GLU 95 N 0.00 0.00 0.08 0.07 4.81 -2.00 -2.32 114.58 115.22 4trx h GLU 95 Ca -0.25 0.00 -0.25 0.00 -0.13 0.00 0.00 59.36 58.73 4trx h GLU 95 Cb 1.99 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 31.36 4trx h GLU 95 CO 0.09 0.11 -1.13 -0.22 -0.73 0.00 0.00 179.01 177.12 4trx h LYS 96 N 0.00 0.21 -0.76 1.92 1.63 -1.97 -3.31 116.57 114.29 4trx h LYS 96 Ca -0.00 -0.34 0.16 0.00 -0.85 0.00 0.00 60.65 59.62 4trx h LYS 96 Cb 0.33 0.12 -0.14 0.00 -0.60 0.00 0.00 32.23 31.94 4trx h LYS 96 CO 0.01 1.14 -0.13 -0.07 -3.45 0.00 0.00 179.45 176.95 4trx h LEU 97 N 0.07 -0.60 0.00 5.20 3.38 -1.51 0.20 115.31 122.05 4trx h LEU 97 Ca -0.09 0.22 0.00 0.00 0.09 0.00 0.00 57.88 58.09 4trx h LEU 97 Cb 1.86 0.43 0.00 0.00 0.09 0.00 0.00 40.66 43.04 4trx h LEU 97 CO 0.18 -0.23 0.00 1.21 0.09 0.00 0.00 178.44 179.69 4trx n GLU 98 N -5.46 0.00 -0.28 1.13 4.07 -1.25 0.05 120.64 118.92 4trx n GLU 98 Ca 0.11 0.63 0.09 0.00 -0.06 0.00 0.00 57.16 57.94 4trx n GLU 98 Cb 0.42 -1.37 0.24 0.00 -0.06 0.00 0.00 31.44 30.66 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 -1.61 1.14 -0.55 4.31 0.00 -1.62 0.18 119.26 121.09 4trx h ALA 99 Ca 0.00 0.18 0.09 0.00 0.00 0.00 0.00 54.91 55.18 4trx h ALA 99 Cb 0.00 0.24 -0.07 0.00 0.00 0.00 0.00 17.79 17.96 4trx h ALA 99 CO 0.00 -0.37 0.17 1.15 0.00 0.00 0.00 179.25 180.21 4trx h THR 100 N 0.29 0.75 -0.54 0.00 2.02 0.06 0.21 112.91 115.71 4trx h THR 100 Ca 0.48 -0.11 0.01 0.00 0.77 0.00 0.00 66.41 67.55 4trx h THR 100 Cb 0.88 0.39 -0.03 0.00 -1.74 0.00 0.00 68.15 67.66 4trx h THR 100 CO -0.55 0.06 0.36 0.40 0.37 0.00 0.00 175.52 176.16 4trx h ILE 101 N 0.33 1.14 0.00 3.11 2.04 0.26 0.56 117.51 124.96 4trx h ILE 101 Ca 0.28 -0.25 0.00 0.00 1.00 0.00 0.00 64.86 65.89 4trx h ILE 101 Cb 0.35 0.34 0.00 0.00 -0.74 0.00 0.00 36.82 36.77 4trx h ILE 101 CO -0.31 0.13 0.00 -3.20 0.00 0.00 0.00 178.15 174.78 4trx n ASN 102 N -4.45 0.37 -0.02 1.72 2.85 0.67 -0.44 115.26 115.95 4trx n ASN 102 Ca 0.05 0.62 -0.16 0.00 -0.11 0.00 0.00 54.58 54.98 4trx n ASN 102 Cb 0.05 -0.68 -0.11 0.00 1.24 0.00 0.00 39.78 40.27 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 0.22 -0.08 1.20 4.57 0.11 -3.33 114.58 117.27 4trx h GLU 103 Ca 0.00 -0.24 0.00 0.00 -1.18 0.00 0.00 59.36 57.94 4trx h GLU 103 Cb 0.21 0.07 0.00 0.00 -0.16 0.00 0.00 28.75 28.87 4trx h GLU 103 CO 0.00 0.97 0.00 1.28 -1.18 0.00 0.00 179.01 180.08 4trx n LEU 104 N -4.43 2.95 0.00 1.64 4.77 -1.01 -5.13 117.00 115.79 4trx n LEU 104 Ca -0.10 -1.08 0.00 0.00 -0.03 0.00 0.00 56.01 54.80 4trx n LEU 104 Cb 0.55 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.60 4trx n LEU 104 CO 0.41 0.52 0.18 0.55 -1.33 0.00 0.00 177.39 177.72