#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 0.04 -3.83 1.12 0.31 -1.26 -4.61 118.33 110.10 4trx n VAL 2 Ca 0.00 -0.01 -0.05 0.00 -0.01 0.00 0.00 64.34 64.27 4trx n VAL 2 Cb 0.00 -0.65 -0.01 0.00 -0.91 0.00 0.00 33.84 32.27 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 2.71 1.57 -3.84 5.55 3.00 -0.48 -4.97 118.16 121.71 4trx n LYS 3 Ca 0.20 -0.60 -0.13 0.00 -0.00 0.00 0.00 58.31 57.78 4trx n LYS 3 Cb 0.14 0.11 -0.14 0.00 0.00 0.00 0.00 35.03 35.14 4trx n LYS 3 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.40 176.26 4trx s GLN 4 N -2.35 0.01 0.72 1.64 2.00 -1.26 -1.48 119.66 118.94 4trx s GLN 4 Ca 0.03 0.07 0.01 0.00 -2.00 0.00 0.00 55.36 53.47 4trx s GLN 4 Cb -0.00 -0.06 0.13 0.00 0.80 0.00 0.00 33.01 33.88 4trx s GLN 4 CO 0.02 -0.05 0.99 0.42 -0.50 0.00 0.00 175.29 176.17 4trx s ILE 5 N 0.30 2.06 0.00 -2.34 -1.09 -1.21 -4.95 121.20 113.98 4trx s ILE 5 Ca -0.02 -0.65 0.00 0.00 -2.23 0.00 0.00 60.65 57.75 4trx s ILE 5 Cb -0.04 -2.42 0.00 0.00 -1.58 0.00 0.00 42.46 38.43 4trx s ILE 5 CO -0.01 0.00 0.00 -1.84 -1.23 0.00 0.00 174.94 171.86 4trx n GLU 6 N -2.81 0.00 -4.31 2.79 0.28 -1.26 -4.85 120.64 110.48 4trx n GLU 6 Ca 0.16 0.00 -0.19 0.00 -0.16 0.00 0.00 57.16 56.97 4trx n GLU 6 Cb 0.61 -0.24 -0.09 0.00 1.43 0.00 0.00 31.44 33.16 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 -1.50 1.58 -0.10 -1.84 1.04 -1.26 -4.64 113.70 106.98 4trx s SER 7 Ca 0.00 -1.66 -0.06 0.00 0.48 0.00 0.00 55.95 54.71 4trx s SER 7 Cb 0.00 0.49 -0.05 0.00 0.10 0.00 0.00 66.02 66.57 4trx s SER 7 CO 0.00 -0.98 0.19 0.50 0.98 0.00 0.00 173.24 173.93 4trx h LYS 8 N 2.17 -0.05 -1.45 4.02 3.11 -1.96 -2.59 116.57 119.83 4trx h LYS 8 Ca -0.30 0.00 0.43 0.00 -2.81 0.00 0.00 60.65 57.98 4trx h LYS 8 Cb 1.24 0.01 -0.09 0.00 -1.00 0.00 0.00 32.23 32.40 4trx h LYS 8 CO 0.44 0.11 1.00 1.15 -2.81 0.00 0.00 179.45 179.35 4trx h THR 9 N -1.01 0.22 -0.00 1.00 2.02 -2.01 0.68 112.91 113.81 4trx h THR 9 Ca -0.01 -0.02 -0.00 0.00 0.77 0.00 0.00 66.41 67.15 4trx h THR 9 Cb 0.19 0.14 0.00 0.00 -1.74 0.00 0.00 68.15 66.74 4trx h THR 9 CO 0.01 0.01 -0.02 0.00 0.37 0.00 0.00 175.52 175.89 4trx h ALA 10 N 1.37 0.00 -0.85 6.16 0.00 -1.99 -3.09 119.26 120.87 4trx h ALA 10 Ca 0.75 -0.38 0.25 0.00 0.00 0.00 0.00 54.91 55.54 4trx h ALA 10 Cb 2.72 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 20.48 4trx h ALA 10 CO -0.16 -0.11 0.93 0.35 0.00 0.00 0.00 179.25 180.25 4trx h PHE 11 N -0.72 0.00 0.19 0.00 3.57 0.77 0.29 116.94 121.05 4trx h PHE 11 Ca -0.00 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.49 4trx h PHE 11 Cb 0.76 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.50 4trx h PHE 11 CO 0.18 0.00 -0.09 1.96 -2.23 0.00 0.00 178.31 178.13 4trx h GLN 12 N 0.00 -0.25 -0.95 1.11 7.50 -1.35 -3.23 115.11 117.94 4trx h GLN 12 Ca 0.40 0.02 0.24 0.00 0.50 0.00 0.00 58.65 59.81 4trx h GLN 12 Cb 2.26 0.06 -0.13 0.00 0.05 0.00 0.00 27.48 29.72 4trx h GLN 12 CO -0.00 -0.17 0.50 0.93 -1.50 0.00 0.00 178.83 178.59 4trx h GLU 13 N -0.91 0.47 -0.45 1.46 4.39 -0.96 0.74 114.58 119.32 4trx h GLU 13 Ca -0.03 -0.03 0.08 0.00 0.34 0.00 0.00 59.36 59.72 4trx h GLU 13 Cb 0.20 -0.11 -0.07 0.00 -0.10 0.00 0.00 28.75 28.68 4trx h GLU 13 CO 0.04 0.31 0.06 0.00 -1.16 0.00 0.00 179.01 178.26 4trx h ALA 14 N 1.73 0.48 0.00 3.43 0.00 -1.33 0.56 119.26 124.12 4trx h ALA 14 Ca 0.61 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.63 4trx h ALA 14 Cb 1.17 0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.12 4trx h ALA 14 CO -0.51 -0.34 0.00 -0.07 0.00 0.00 0.00 179.25 178.33 4trx h LEU 15 N 0.19 0.00 0.00 0.00 3.38 -0.88 -0.21 115.31 117.78 4trx h LEU 15 Ca 0.22 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.15 4trx h LEU 15 Cb 0.30 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 4trx h LEU 15 CO -0.32 0.00 -1.61 -0.67 0.09 0.00 0.00 178.44 175.93 4trx n ASP 16 N -2.30 0.40 -0.86 -0.43 -0.08 0.12 -4.08 116.55 109.33 4trx n ASP 16 Ca 0.01 0.16 0.09 0.00 -1.51 0.00 0.00 54.79 53.54 4trx n ASP 16 Cb 0.20 1.18 0.15 0.00 2.34 0.00 0.00 41.12 44.99 4trx n ASP 16 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 4trx n ALA 17 N -2.28 2.39 1.53 -1.67 0.00 0.15 -4.26 120.51 116.38 4trx n ALA 17 Ca -0.05 -0.89 0.14 0.00 0.00 0.00 0.00 53.44 52.64 4trx n ALA 17 Cb 0.63 -0.65 0.56 0.00 0.00 0.00 0.00 19.45 19.99 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 1.07 2.63 0.00 0.00 0.00 -0.16 -4.99 120.51 119.07 4trx n ALA 18 Ca 0.14 -0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.17 4trx n ALA 18 Cb 0.49 -1.20 0.00 0.00 0.00 0.00 0.00 19.45 18.73 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 1.17 1.65 0.00 0.00 0.00 -1.26 -4.29 105.19 102.46 4trx n GLY 19 Ca 0.19 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.89 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 4.63 0.00 -4.07 1.61 -0.08 -1.26 -4.77 116.55 112.60 4trx n ASP 20 Ca 0.00 0.00 -0.36 0.00 -1.51 0.00 0.00 54.79 52.92 4trx n ASP 20 Cb 0.00 0.00 0.05 0.00 2.34 0.00 0.00 41.12 43.51 4trx n ASP 20 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 4trx n LYS 21 N -0.35 -0.05 -1.32 -0.67 4.01 -1.26 -3.97 118.16 114.56 4trx n LYS 21 Ca 0.00 -0.01 -0.39 0.00 -0.51 0.00 0.00 58.31 57.41 4trx n LYS 21 Cb 0.00 -1.14 0.02 0.00 -0.51 0.00 0.00 35.03 33.40 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 2.71 -2.26 -3.46 -0.35 4.77 -1.26 -4.64 117.00 112.51 4trx n LEU 22 Ca -0.00 0.68 -0.28 0.00 -0.03 0.00 0.00 56.01 56.38 4trx n LEU 22 Cb 0.56 -0.95 -0.12 0.00 -2.33 0.00 0.00 43.42 40.57 4trx n LEU 22 CO 0.53 -4.24 -0.30 -0.69 -1.33 0.00 0.00 177.39 171.36 4trx s VAL 23 N -1.91 0.04 -0.13 4.08 1.01 -0.36 -2.21 120.40 120.92 4trx s VAL 23 Ca 0.61 -1.44 -0.15 0.00 0.00 0.00 0.00 61.98 61.00 4trx s VAL 23 Cb -0.48 -1.04 -0.05 0.00 0.00 0.00 0.00 36.38 34.81 4trx s VAL 23 CO 0.62 -0.89 0.36 -0.69 0.00 0.00 0.00 175.10 174.50 4trx s VAL 24 N 1.32 5.24 0.12 2.92 1.01 -1.03 0.00 120.40 129.98 4trx s VAL 24 Ca 0.16 0.70 0.04 0.00 0.00 0.00 0.00 61.98 62.88 4trx s VAL 24 Cb -0.21 -3.69 -0.04 0.00 0.00 0.00 0.00 36.38 32.44 4trx s VAL 24 CO -0.07 0.40 0.11 -0.69 0.00 0.00 0.00 175.10 174.84 4trx s VAL 25 N 0.29 4.52 -0.51 2.92 1.01 0.56 -2.47 120.40 126.72 4trx s VAL 25 Ca 0.20 -0.89 0.04 0.00 0.00 0.00 0.00 61.98 61.32 4trx s VAL 25 Cb -0.14 -3.24 0.13 0.00 0.00 0.00 0.00 36.38 33.14 4trx s VAL 25 CO 0.07 0.03 0.26 -0.62 0.00 0.00 0.00 175.10 174.84 4trx s ASP 26 N -2.69 4.22 -0.77 3.32 2.15 -0.77 -1.70 116.67 120.42 4trx s ASP 26 Ca 0.30 -2.97 -0.26 0.00 0.43 0.00 0.00 52.55 50.05 4trx s ASP 26 Cb -0.11 -1.55 0.02 0.00 -0.30 0.00 0.00 42.92 40.98 4trx s ASP 26 CO 0.23 -0.23 1.48 -0.36 -0.17 0.00 0.00 175.17 176.11 4trx s PHE 27 N -0.22 2.16 0.25 -5.34 0.08 -0.53 -2.51 117.98 111.88 4trx s PHE 27 Ca 0.17 0.03 0.05 0.00 0.12 0.00 0.00 56.93 57.30 4trx s PHE 27 Cb -0.25 -4.49 -0.02 0.00 -0.57 0.00 0.00 43.02 37.69 4trx s PHE 27 CO -0.00 -2.08 0.17 -1.13 -0.10 0.00 0.00 175.22 172.08 4trx n SER 28 N 10.31 0.02 -4.69 1.36 3.41 -0.98 -1.32 113.62 121.74 4trx n SER 28 Ca 0.15 -2.57 -0.35 0.00 -0.26 0.00 0.00 58.87 55.84 4trx n SER 28 Cb 0.50 1.05 -0.09 0.00 -0.26 0.00 0.00 64.21 65.41 4trx n SER 28 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 4trx s ALA 29 N -2.91 3.45 -0.09 7.33 0.00 -1.26 -2.17 121.76 126.11 4trx s ALA 29 Ca 0.24 -0.74 -0.20 0.00 0.00 0.00 0.00 51.96 51.26 4trx s ALA 29 Cb 0.01 -1.82 -0.28 0.00 0.00 0.00 0.00 23.12 21.03 4trx s ALA 29 CO 0.17 0.36 0.70 0.00 0.00 0.00 0.00 175.76 176.99 4trx h THR 30 N 4.55 1.32 -0.47 0.00 1.03 -1.94 -3.35 112.91 114.05 4trx h THR 30 Ca -0.43 -2.44 0.05 0.00 -0.01 0.00 0.00 66.41 63.58 4trx h THR 30 Cb 1.18 2.97 -0.05 0.00 -1.07 0.00 0.00 68.15 71.19 4trx h THR 30 CO 0.64 0.67 0.21 4.11 -0.01 0.00 0.00 175.52 181.15 4trx h TRP 31 N -0.46 0.39 -3.39 0.00 5.08 -2.02 -3.43 115.95 112.12 4trx h TRP 31 Ca -0.20 0.02 -0.53 0.00 1.08 0.00 0.00 58.89 59.25 4trx h TRP 31 Cb 1.59 -0.10 0.21 0.00 -3.00 0.00 0.00 29.16 27.86 4trx h TRP 31 CO 0.17 0.17 -0.57 0.00 -1.28 0.00 0.00 178.44 176.94 4trx n GLY 33 N 1.51 -0.48 0.38 0.00 0.00 -1.26 -4.44 105.19 100.89 4trx n GLY 33 Ca 0.07 -0.14 0.14 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 -0.42 0.61 -0.02 1.61 0.11 -1.97 0.50 132.00 132.43 4trx h PRO 34 Ca 0.00 -0.04 0.01 0.00 0.11 0.00 0.00 66.00 66.08 4trx h PRO 34 Cb 0.42 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 31.39 4trx h PRO 34 CO 0.00 0.40 0.05 0.00 -0.21 0.00 0.00 178.00 178.24 4trx n LYS 36 N -3.37 1.48 0.09 0.00 4.81 0.17 -3.99 118.16 117.35 4trx n LYS 36 Ca -0.02 -1.21 0.10 0.00 -0.87 0.00 0.00 58.31 56.31 4trx n LYS 36 Cb 0.12 -1.47 0.43 0.00 0.02 0.00 0.00 35.03 34.13 4trx n LYS 36 CO 0.00 0.00 0.00 -1.33 1.17 0.00 0.00 177.40 177.24 4trx n MET 37 N 0.30 0.13 -0.12 1.64 2.81 0.61 -1.18 117.12 121.31 4trx n MET 37 Ca 0.11 0.37 0.10 0.00 -1.81 0.00 0.00 57.70 56.47 4trx n MET 37 Cb 0.50 -1.75 0.32 0.00 -0.71 0.00 0.00 33.22 31.57 4trx n MET 37 CO 0.00 0.00 0.00 -0.89 1.51 0.00 0.00 175.97 176.59 4trx n ILE 38 N -1.99 0.31 -0.09 2.02 -0.00 -1.25 -4.35 119.36 114.00 4trx n ILE 38 Ca 0.02 -0.46 -0.09 0.00 -0.00 0.00 0.00 62.75 62.23 4trx n ILE 38 Cb 0.20 0.51 -0.02 0.00 -0.00 0.00 0.00 39.64 40.33 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 2.75 0.42 0.00 0.38 3.64 -1.40 -2.01 116.57 120.36 4trx h LYS 39 Ca 0.00 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 4trx h LYS 39 Cb 0.61 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.34 4trx h LYS 39 CO 0.00 0.33 0.00 -2.30 -2.27 0.00 0.00 179.45 175.21 4trx n PRO 40 N -4.83 0.02 -0.07 1.90 -0.02 -1.26 0.25 135.00 130.98 4trx n PRO 40 Ca -0.01 0.05 -0.12 0.00 -2.02 0.00 0.00 63.50 61.40 4trx n PRO 40 Cb 0.05 -1.50 -0.04 0.00 -0.02 0.00 0.00 33.50 31.99 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 -1.05 0.00 0.12 6.00 3.72 -0.77 -4.00 117.46 121.48 4trx n PHE 41 Ca 0.00 0.00 -0.00 0.00 -0.05 0.00 0.00 57.45 57.40 4trx n PHE 41 Cb 0.00 -0.49 -0.01 0.00 -0.94 0.00 0.00 39.48 38.05 4trx n PHE 41 CO 0.00 0.00 0.00 0.35 -0.05 0.00 0.00 176.76 177.06 4trx h PHE 42 N -0.73 0.00 0.00 1.38 3.57 -1.29 -3.20 116.94 116.67 4trx h PHE 42 Ca -0.17 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.33 4trx h PHE 42 Cb 0.97 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.71 4trx h PHE 42 CO -0.23 0.65 -0.44 1.25 -2.23 0.00 0.00 178.31 177.31 4trx h HIS 43 N 0.00 0.00 -0.00 0.41 2.76 -0.44 -3.23 115.15 114.65 4trx h HIS 43 Ca -0.01 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.16 4trx h HIS 43 Cb 1.49 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.45 4trx h HIS 43 CO 0.00 0.00 -0.04 0.45 -1.30 0.00 0.00 177.93 177.04 4trx n SER 44 N -2.43 0.04 -0.01 3.26 2.88 -1.21 -2.97 113.62 113.19 4trx n SER 44 Ca 0.03 0.42 0.14 0.00 -1.33 0.00 0.00 58.87 58.13 4trx n SER 44 Cb 0.47 -0.43 0.61 0.00 -0.75 0.00 0.00 64.21 64.11 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 -1.49 0.07 0.29 2.46 4.77 -1.22 -3.35 117.00 118.52 4trx n LEU 45 Ca 0.07 0.40 0.15 0.00 -0.03 0.00 0.00 56.01 56.59 4trx n LEU 45 Cb 0.34 -0.43 0.86 0.00 -2.33 0.00 0.00 43.42 41.86 4trx n LEU 45 CO 0.27 0.02 1.07 -1.28 -1.33 0.00 0.00 177.39 176.14 4trx h SER 46 N 0.03 0.00 0.01 -1.43 0.87 -1.74 -1.80 113.55 109.48 4trx h SER 46 Ca 0.00 0.00 -0.41 0.00 -1.23 0.00 0.00 61.79 60.15 4trx h SER 46 Cb 0.46 0.00 -0.07 0.00 -0.44 0.00 0.00 62.40 62.35 4trx h SER 46 CO 0.00 0.05 -2.45 -0.62 -0.53 0.00 0.00 176.83 173.28 4trx n GLU 47 N -3.71 0.63 0.24 2.24 -0.58 -1.21 -4.29 120.64 113.96 4trx n GLU 47 Ca -0.02 0.21 -0.09 0.00 -0.42 0.00 0.00 57.16 56.83 4trx n GLU 47 Cb 0.14 -1.53 -0.04 0.00 -0.57 0.00 0.00 31.44 29.45 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 -0.38 -0.58 -3.38 3.49 1.63 -1.61 -3.28 116.57 112.47 4trx h LYS 48 Ca -0.61 0.04 -0.77 0.00 -0.85 0.00 0.00 60.65 58.46 4trx h LYS 48 Cb 1.79 0.13 -0.19 0.00 -0.60 0.00 0.00 32.23 33.36 4trx h LYS 48 CO -0.20 -0.39 1.60 0.66 -3.45 0.00 0.00 179.45 177.67 4trx n TYR 49 N -3.63 2.85 0.93 1.91 4.01 -0.69 -4.72 117.16 117.83 4trx n TYR 49 Ca -0.08 -2.77 0.09 0.00 -0.16 0.00 0.00 57.90 54.99 4trx n TYR 49 Cb 0.24 -1.75 0.47 0.00 -0.31 0.00 0.00 39.34 38.00 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 3.15 0.00 0.04 7.72 3.41 -1.24 -2.14 113.62 124.57 4trx n SER 50 Ca 0.35 -0.18 0.04 0.00 -0.26 0.00 0.00 58.87 58.82 4trx n SER 50 Cb 0.36 -0.18 -0.07 0.00 -0.26 0.00 0.00 64.21 64.06 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 -1.18 0.77 -4.90 4.04 2.85 -1.26 -4.79 115.26 110.79 4trx n ASN 51 Ca 0.10 0.33 -0.32 0.00 -0.11 0.00 0.00 54.58 54.58 4trx n ASN 51 Cb 0.11 0.38 -0.05 0.00 1.24 0.00 0.00 39.78 41.47 4trx n ASN 51 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 4trx s VAL 52 N -3.07 5.25 0.05 3.44 1.01 -0.91 -4.79 120.40 121.37 4trx s VAL 52 Ca -0.03 -0.05 -0.11 0.00 0.00 0.00 0.00 61.98 61.79 4trx s VAL 52 Cb 0.09 -3.62 -0.06 0.00 0.00 0.00 0.00 36.38 32.80 4trx s VAL 52 CO 0.81 0.13 0.40 -0.63 0.00 0.00 0.00 175.10 175.80 4trx s ILE 53 N -1.55 5.09 0.02 2.22 1.09 -0.94 -4.52 121.20 122.60 4trx s ILE 53 Ca 0.37 0.56 0.04 0.00 -1.10 0.00 0.00 60.65 60.52 4trx s ILE 53 Cb -0.13 -3.66 -0.02 0.00 -1.06 0.00 0.00 42.46 37.60 4trx s ILE 53 CO 0.24 0.38 -0.13 -0.36 -0.10 0.00 0.00 174.94 174.97 4trx s PHE 54 N -1.30 1.12 0.12 3.97 0.08 -1.26 -2.46 117.98 118.25 4trx s PHE 54 Ca 0.30 -0.29 0.04 0.00 0.12 0.00 0.00 56.93 57.10 4trx s PHE 54 Cb -0.15 -0.69 -0.04 0.00 -0.57 0.00 0.00 43.02 41.57 4trx s PHE 54 CO 0.16 0.01 -0.10 -0.51 -0.10 0.00 0.00 175.22 174.68 4trx s LEU 55 N -0.75 2.48 -0.17 -0.37 1.02 -1.03 -1.38 118.68 118.48 4trx s LEU 55 Ca 0.02 -0.94 -0.01 0.00 0.02 0.00 0.00 54.13 53.22 4trx s LEU 55 Cb -0.06 -0.31 0.05 0.00 0.02 0.00 0.00 46.19 45.89 4trx s LEU 55 CO 0.00 -0.32 -0.03 -0.70 0.02 0.00 0.00 176.35 175.33 4trx s GLU 56 N -3.42 1.18 -0.08 1.70 2.12 -0.55 -1.84 118.70 117.81 4trx s GLU 56 Ca 0.12 -0.48 -0.04 0.00 0.36 0.00 0.00 54.97 54.93 4trx s GLU 56 Cb 0.01 -1.99 -0.04 0.00 0.26 0.00 0.00 34.13 32.37 4trx s GLU 56 CO -0.00 -0.49 0.09 0.08 -0.54 0.00 0.00 175.26 174.41 4trx s VAL 57 N 1.70 5.04 -0.35 3.70 1.01 -1.05 -3.29 120.40 127.16 4trx s VAL 57 Ca 0.00 -0.05 -0.13 0.00 0.00 0.00 0.00 61.98 61.81 4trx s VAL 57 Cb -0.16 -3.21 -0.00 0.00 0.00 0.00 0.00 36.38 33.01 4trx s VAL 57 CO -0.07 0.55 0.23 -0.62 0.00 0.00 0.00 175.10 175.19 4trx s ASP 58 N -1.17 5.96 0.00 3.32 2.15 -1.26 -2.31 116.67 123.36 4trx s ASP 58 Ca 0.17 -0.58 0.00 0.00 0.43 0.00 0.00 52.55 52.57 4trx s ASP 58 Cb -0.12 -2.11 0.00 0.00 -0.30 0.00 0.00 42.92 40.39 4trx s ASP 58 CO 0.06 -0.28 0.41 1.33 -0.17 0.00 0.00 175.17 176.52 4trx n VAL 59 N 5.09 0.00 -0.10 1.11 0.24 -0.92 -1.20 118.33 122.54 4trx n VAL 59 Ca -0.12 0.00 -0.20 0.00 -2.04 0.00 0.00 64.34 61.98 4trx n VAL 59 Cb 0.49 -0.27 -0.07 0.00 -1.47 0.00 0.00 33.84 32.51 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 -0.03 1.60 -0.01 -1.34 2.03 -1.26 -4.46 116.55 113.08 4trx n ASP 60 Ca 0.00 0.18 0.09 0.00 0.52 0.00 0.00 54.79 55.58 4trx n ASP 60 Cb 0.11 -0.53 -0.13 0.00 -0.72 0.00 0.00 41.12 39.84 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 -3.75 0.88 -1.96 1.67 2.03 -1.18 -4.42 116.55 109.82 4trx n ASP 61 Ca -0.38 -0.22 -0.24 0.00 0.52 0.00 0.00 54.79 54.48 4trx n ASP 61 Cb 0.79 1.63 0.10 0.00 -0.72 0.00 0.00 41.12 42.91 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 -0.92 0.06 -0.00 0.00 10.64 -1.26 -0.92 117.38 124.98 4trx n GLN 63 Ca 0.50 0.52 -0.18 0.00 -1.83 0.00 0.00 57.00 56.01 4trx n GLN 63 Cb 0.94 -1.78 -0.08 0.00 -0.86 0.00 0.00 30.24 28.45 4trx n GLN 63 CO 0.00 0.00 0.00 0.38 -1.83 0.00 0.00 177.06 175.61 4trx h ASP 64 N 0.00 0.94 0.14 2.61 2.03 -1.93 -2.19 116.42 118.01 4trx h ASP 64 Ca 0.00 -0.67 -0.23 0.00 -0.73 0.00 0.00 57.03 55.40 4trx h ASP 64 Cb 0.17 -0.28 0.03 0.00 -0.83 0.00 0.00 39.33 38.41 4trx h ASP 64 CO 0.00 1.47 -0.98 0.58 -1.03 0.00 0.00 179.24 179.28 4trx h VAL 65 N 0.49 1.42 0.01 4.15 2.07 -1.38 -3.19 116.25 119.82 4trx h VAL 65 Ca -0.08 -2.48 0.02 0.00 0.82 0.00 0.00 66.70 64.97 4trx h VAL 65 Cb 1.51 3.00 -0.02 0.00 -1.52 0.00 0.00 31.29 34.27 4trx h VAL 65 CO 0.18 0.72 -0.10 0.00 0.02 0.00 0.00 177.57 178.39 4trx h ALA 66 N 0.16 -0.11 0.00 1.67 0.00 -1.53 0.26 119.26 119.71 4trx h ALA 66 Ca -0.16 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.75 4trx h ALA 66 Cb 1.74 0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.70 4trx h ALA 66 CO 0.19 -0.59 0.07 0.45 0.00 0.00 0.00 179.25 179.36 4trx n SER 67 N -5.22 0.25 0.10 0.00 2.88 -0.82 -0.28 113.62 110.53 4trx n SER 67 Ca -0.06 0.58 -0.17 0.00 -1.33 0.00 0.00 58.87 57.89 4trx n SER 67 Cb 0.15 -0.59 -0.12 0.00 -0.75 0.00 0.00 64.21 62.89 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 0.35 -0.02 -1.46 4.22 -0.47 -3.12 114.58 114.09 4trx h GLU 68 Ca 0.00 -0.55 0.00 0.00 0.08 0.00 0.00 59.36 58.89 4trx h GLU 68 Cb 0.14 0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.58 4trx h GLU 68 CO 0.00 1.24 0.00 0.00 -2.18 0.00 0.00 179.01 178.07 4trx n GLU 70 N -0.16 -6.17 -1.34 0.00 4.07 -0.96 -4.95 120.64 111.12 4trx n GLU 70 Ca 0.20 0.74 -0.31 0.00 -0.06 0.00 0.00 57.16 57.73 4trx n GLU 70 Cb 0.28 -5.60 0.08 0.00 -0.06 0.00 0.00 31.44 26.15 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 -3.45 3.50 0.00 6.31 1.01 -1.23 -4.96 120.40 121.57 4trx s VAL 71 Ca 0.20 0.49 0.00 0.00 0.00 0.00 0.00 61.98 62.67 4trx s VAL 71 Cb -0.09 -3.04 0.00 0.00 0.00 0.00 0.00 36.38 33.24 4trx s VAL 71 CO 0.77 -0.63 0.22 1.17 0.00 0.00 0.00 175.10 176.63 4trx n LYS 72 N -3.43 0.00 0.00 2.72 0.00 -1.26 -4.98 118.16 111.21 4trx n LYS 72 Ca 0.09 -0.22 0.00 0.00 0.00 0.00 0.00 58.31 58.18 4trx n LYS 72 Cb 0.53 -0.44 0.00 0.00 0.00 0.00 0.00 35.03 35.12 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 -0.33 5.32 0.47 0.00 -4.23 -1.26 -4.09 115.64 111.52 4trx s THR 74 Ca 0.00 -0.69 -0.19 0.00 -1.18 0.00 0.00 61.69 59.63 4trx s THR 74 Cb 0.00 -3.74 -0.10 0.00 1.34 0.00 0.00 72.50 70.01 4trx s THR 74 CO 0.00 -0.09 0.97 -2.16 -0.54 0.00 0.00 174.62 172.80 4trx s PRO 75 N -3.22 4.07 -0.16 3.99 0.04 -1.26 -4.95 135.00 133.50 4trx s PRO 75 Ca 0.34 1.09 -0.01 0.00 0.04 0.00 0.00 61.00 62.46 4trx s PRO 75 Cb -0.11 -2.15 0.04 0.00 0.04 0.00 0.00 34.50 32.32 4trx s PRO 75 CO 0.28 -0.17 -0.04 0.99 0.04 0.00 0.00 177.00 178.11 4trx s THR 76 N -2.32 0.96 -0.05 1.26 2.01 -0.43 -2.70 115.64 114.37 4trx s THR 76 Ca 0.61 -0.55 -0.20 0.00 0.31 0.00 0.00 61.69 61.86 4trx s THR 76 Cb -0.10 -1.18 -0.05 0.00 0.01 0.00 0.00 72.50 71.18 4trx s THR 76 CO 0.20 0.09 0.55 -0.36 -0.69 0.00 0.00 174.62 174.42 4trx s PHE 77 N 1.69 3.62 0.13 4.92 0.08 -0.92 -1.45 117.98 126.05 4trx s PHE 77 Ca 0.01 1.08 0.09 0.00 0.12 0.00 0.00 56.93 58.23 4trx s PHE 77 Cb -0.15 -2.58 -0.04 0.00 -0.57 0.00 0.00 43.02 39.68 4trx s PHE 77 CO -0.07 0.29 -0.22 -1.14 -0.10 0.00 0.00 175.22 173.98 4trx s GLN 78 N 0.10 1.25 -0.18 0.44 2.00 -0.69 -1.60 119.66 120.99 4trx s GLN 78 Ca 0.29 -1.29 0.00 0.00 -2.00 0.00 0.00 55.36 52.37 4trx s GLN 78 Cb -0.17 -1.54 0.01 0.00 0.80 0.00 0.00 33.01 32.12 4trx s GLN 78 CO 0.15 0.35 -0.17 -0.06 -0.50 0.00 0.00 175.29 175.06 4trx s PHE 79 N -1.37 2.80 0.09 1.67 0.40 0.03 -0.33 117.98 121.28 4trx s PHE 79 Ca 0.11 -1.44 0.10 0.00 -0.60 0.00 0.00 56.93 55.10 4trx s PHE 79 Cb -0.09 -1.94 -0.03 0.00 0.51 0.00 0.00 43.02 41.46 4trx s PHE 79 CO 0.06 -0.72 -0.25 -0.06 0.70 0.00 0.00 175.22 174.95 4trx s PHE 80 N 1.25 2.18 -0.07 0.36 0.08 0.10 -1.89 117.98 119.98 4trx s PHE 80 Ca 0.03 -0.39 -0.02 0.00 0.12 0.00 0.00 56.93 56.67 4trx s PHE 80 Cb -0.14 -1.23 0.03 0.00 -0.57 0.00 0.00 43.02 41.12 4trx s PHE 80 CO -0.09 0.23 0.05 0.21 -0.10 0.00 0.00 175.22 175.52 4trx s LYS 81 N -1.70 0.13 -0.43 0.44 2.20 -0.66 -1.23 119.74 118.49 4trx s LYS 81 Ca 0.11 0.22 0.00 0.00 -0.36 0.00 0.00 55.97 55.95 4trx s LYS 81 Cb -0.10 -0.85 0.00 0.00 -1.51 0.00 0.00 37.83 35.37 4trx s LYS 81 CO 0.04 -0.38 0.00 1.17 -0.36 0.00 0.00 175.35 175.82 4trx n LYS 82 N 5.25 -1.72 -0.18 4.03 4.81 -1.25 0.20 118.16 129.30 4trx n LYS 82 Ca -0.05 0.40 0.00 0.00 -0.87 0.00 0.00 58.31 57.80 4trx n LYS 82 Cb 0.50 -4.19 0.00 0.00 0.02 0.00 0.00 35.03 31.36 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 0.26 1.21 2.70 3.14 0.00 -1.26 -4.83 105.19 106.40 4trx n GLY 83 Ca -0.04 -0.05 -0.21 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.58 0.11 -0.10 1.61 0.74 0.13 -5.10 119.66 116.47 4trx s GLN 84 Ca 0.00 0.13 -0.29 0.00 0.05 0.00 0.00 55.36 55.25 4trx s GLN 84 Cb 0.00 -1.35 -0.07 0.00 1.10 0.00 0.00 33.01 32.69 4trx s GLN 84 CO 0.00 -0.61 2.09 0.21 -0.55 0.00 0.00 175.29 176.43 4trx s LYS 85 N 2.24 3.62 -0.00 1.67 2.20 -1.26 -1.65 119.74 126.55 4trx s LYS 85 Ca 0.04 2.30 0.08 0.00 -0.36 0.00 0.00 55.97 58.03 4trx s LYS 85 Cb -0.15 -4.27 -0.11 0.00 -1.51 0.00 0.00 37.83 31.79 4trx s LYS 85 CO -0.10 -1.55 0.27 1.33 -0.36 0.00 0.00 175.35 174.94 4trx n VAL 86 N 6.68 0.00 -3.64 4.02 0.24 -0.80 -4.98 118.33 119.86 4trx n VAL 86 Ca 0.25 -0.26 -0.10 0.00 -2.04 0.00 0.00 64.34 62.19 4trx n VAL 86 Cb 0.43 0.70 -0.04 0.00 -1.47 0.00 0.00 33.84 33.46 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 -2.28 -0.26 -0.30 7.63 0.00 -1.21 -5.02 107.32 105.87 4trx s GLY 87 Ca 0.00 -0.02 -0.17 0.00 0.00 0.00 0.00 44.72 44.53 4trx s GLY 87 CO 0.34 -0.18 1.20 -1.83 0.00 0.00 0.00 173.10 172.62 4trx s GLU 88 N -3.83 0.12 -0.17 2.90 -1.05 -1.26 -0.79 118.70 114.62 4trx s GLU 88 Ca 0.05 0.26 -0.14 0.00 -0.15 0.00 0.00 54.97 54.99 4trx s GLU 88 Cb -0.00 0.11 0.05 0.00 -0.44 0.00 0.00 34.13 33.85 4trx s GLU 88 CO -0.08 -0.03 0.44 -0.59 0.95 0.00 0.00 175.26 175.95 4trx s PHE 89 N 1.79 -0.52 0.47 4.83 -0.12 -0.62 -5.02 117.98 118.78 4trx s PHE 89 Ca -0.03 1.23 0.08 0.00 -0.05 0.00 0.00 56.93 58.15 4trx s PHE 89 Cb -0.02 0.20 0.02 0.00 -0.63 0.00 0.00 43.02 42.58 4trx s PHE 89 CO -0.15 -0.27 0.50 -1.54 -0.05 0.00 0.00 175.22 173.72 4trx s SER 90 N 0.55 5.11 0.00 1.98 1.04 -1.26 -2.16 113.70 118.95 4trx s SER 90 Ca -0.03 -0.79 0.00 0.00 0.48 0.00 0.00 55.95 55.61 4trx s SER 90 Cb -0.04 -0.24 0.00 0.00 0.10 0.00 0.00 66.02 65.84 4trx s SER 90 CO -0.03 -0.89 0.00 0.61 0.98 0.00 0.00 173.24 173.91 4trx n GLY 91 N -1.79 3.44 1.19 7.32 0.00 -1.10 -4.81 105.19 109.45 4trx n GLY 91 Ca 0.06 -1.60 0.00 0.00 0.00 0.00 0.00 46.02 44.48 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 -0.25 2.40 -3.02 4.61 0.00 -1.26 -4.70 120.51 118.29 4trx n ALA 92 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 53.44 53.00 4trx n ALA 92 Cb 0.00 -1.10 -0.04 0.00 0.00 0.00 0.00 19.45 18.31 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 1.27 6.22 -0.14 0.00 3.04 -1.26 -4.86 114.94 119.22 4trx s ASN 93 Ca 0.00 -1.36 -0.13 0.00 0.04 0.00 0.00 52.86 51.41 4trx s ASN 93 Cb 0.00 -2.34 -0.25 0.00 -1.54 0.00 0.00 41.25 37.12 4trx s ASN 93 CO 0.00 -1.21 0.39 0.07 -3.04 0.00 0.00 177.10 173.31 4trx h LYS 94 N 9.26 0.20 0.00 0.43 -0.00 -2.01 -3.31 116.57 121.14 4trx h LYS 94 Ca -0.25 -0.34 0.00 0.00 -0.00 0.00 0.00 60.65 60.06 4trx h LYS 94 Cb 1.08 0.13 0.00 0.00 -0.00 0.00 0.00 32.23 33.43 4trx h LYS 94 CO 1.12 1.16 0.47 1.49 -0.00 0.00 0.00 179.45 183.69 4trx h GLU 95 N -0.30 0.00 0.17 0.07 4.22 -2.00 0.71 114.58 117.45 4trx h GLU 95 Ca -0.37 0.00 -0.34 0.00 0.08 0.00 0.00 59.36 58.72 4trx h GLU 95 Cb 1.78 0.00 0.01 0.00 0.50 0.00 0.00 28.75 31.04 4trx h GLU 95 CO 0.01 0.00 -1.73 -0.22 -2.18 0.00 0.00 179.01 174.89 4trx h LYS 96 N 0.00 0.36 -0.84 1.92 1.63 -1.98 -3.36 116.57 114.31 4trx h LYS 96 Ca 0.00 -0.62 0.15 0.00 -0.85 0.00 0.00 60.65 59.32 4trx h LYS 96 Cb 0.93 0.23 -0.15 0.00 -0.60 0.00 0.00 32.23 32.65 4trx h LYS 96 CO 0.00 1.27 -0.32 -0.07 -3.45 0.00 0.00 179.45 176.89 4trx h LEU 97 N 0.10 -1.15 0.00 5.20 3.38 0.34 0.22 115.31 123.40 4trx h LEU 97 Ca -0.33 0.27 0.00 0.00 0.09 0.00 0.00 57.88 57.91 4trx h LEU 97 Cb 2.09 0.63 0.00 0.00 0.09 0.00 0.00 40.66 43.47 4trx h LEU 97 CO 0.17 -0.29 0.00 1.21 0.09 0.00 0.00 178.44 179.62 4trx n GLU 98 N -5.49 0.00 -0.29 1.13 2.13 -1.23 0.17 120.64 117.06 4trx n GLU 98 Ca 0.09 0.88 0.13 0.00 0.66 0.00 0.00 57.16 58.92 4trx n GLU 98 Cb 0.40 -1.48 0.38 0.00 0.27 0.00 0.00 31.44 31.01 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 -1.23 1.84 -0.48 4.31 0.00 -1.57 -0.41 119.26 121.73 4trx h ALA 99 Ca 0.00 0.03 0.03 0.00 0.00 0.00 0.00 54.91 54.97 4trx h ALA 99 Cb 0.00 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 4trx h ALA 99 CO 0.00 -0.11 0.26 1.15 0.00 0.00 0.00 179.25 180.55 4trx h THR 100 N 0.69 1.00 -0.64 0.00 2.02 0.17 -0.59 112.91 115.56 4trx h THR 100 Ca 0.48 -0.18 0.02 0.00 0.77 0.00 0.00 66.41 67.50 4trx h THR 100 Cb 0.80 0.44 -0.03 0.00 -1.74 0.00 0.00 68.15 67.62 4trx h THR 100 CO -0.24 0.09 0.42 0.40 0.37 0.00 0.00 175.52 176.57 4trx h ILE 101 N 0.51 1.13 0.00 3.11 2.04 0.14 0.58 117.51 125.02 4trx h ILE 101 Ca 0.20 -0.28 0.00 0.00 1.00 0.00 0.00 64.86 65.78 4trx h ILE 101 Cb 0.07 0.24 0.00 0.00 -0.74 0.00 0.00 36.82 36.39 4trx h ILE 101 CO -0.12 0.15 0.00 -3.20 0.00 0.00 0.00 178.15 174.98 4trx n ASN 102 N -4.45 0.65 -0.03 1.72 2.85 -0.29 -0.04 115.26 115.68 4trx n ASN 102 Ca 0.07 0.73 -0.15 0.00 -0.11 0.00 0.00 54.58 55.12 4trx n ASN 102 Cb 0.08 -0.84 -0.11 0.00 1.24 0.00 0.00 39.78 40.15 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 0.20 -0.03 1.20 4.81 0.81 -3.32 114.58 118.25 4trx h GLU 103 Ca 0.00 -0.19 0.00 0.00 -0.13 0.00 0.00 59.36 59.04 4trx h GLU 103 Cb 0.18 0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.61 4trx h GLU 103 CO 0.00 0.89 -0.03 1.28 -0.73 0.00 0.00 179.01 180.42 4trx n LEU 104 N -4.51 2.84 0.00 1.64 4.77 -0.96 -5.13 117.00 115.66 4trx n LEU 104 Ca -0.09 -0.98 0.00 0.00 -0.03 0.00 0.00 56.01 54.90 4trx n LEU 104 Cb 0.49 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.58 4trx n LEU 104 CO 0.39 0.48 0.14 0.55 -1.33 0.00 0.00 177.39 177.63