#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 0.09 -2.96 2.03 0.31 -1.26 -4.80 118.33 111.73 4trx n VAL 2 Ca 0.00 -0.02 -0.42 0.00 -0.01 0.00 0.00 64.34 63.89 4trx n VAL 2 Cb 0.00 -0.74 -0.05 0.00 -0.91 0.00 0.00 33.84 32.13 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 1.56 3.82 -0.13 5.55 2.47 0.10 -4.82 119.74 128.30 4trx s LYS 3 Ca 0.92 0.39 -0.24 0.00 -1.56 0.00 0.00 55.97 55.48 4trx s LYS 3 Cb -1.11 -3.78 -0.02 0.00 -1.46 0.00 0.00 37.83 31.46 4trx s LYS 3 CO 0.58 -0.78 0.77 -1.14 0.16 0.00 0.00 175.35 174.94 4trx s GLN 4 N 3.02 4.34 0.64 4.03 0.74 -1.26 -0.16 119.66 131.01 4trx s GLN 4 Ca 0.31 0.93 -0.01 0.00 0.05 0.00 0.00 55.36 56.64 4trx s GLN 4 Cb -0.14 -3.53 0.07 0.00 1.10 0.00 0.00 33.01 30.51 4trx s GLN 4 CO 0.15 -0.18 0.89 0.42 -0.55 0.00 0.00 175.29 176.02 4trx s ILE 5 N 1.65 2.43 0.00 -2.34 -1.09 -0.72 -4.92 121.20 116.20 4trx s ILE 5 Ca 0.37 -0.56 0.00 0.00 -2.23 0.00 0.00 60.65 58.23 4trx s ILE 5 Cb -0.17 -2.87 0.00 0.00 -1.58 0.00 0.00 42.46 37.84 4trx s ILE 5 CO 0.15 0.00 0.42 -1.84 -1.23 0.00 0.00 174.94 172.43 4trx n GLU 6 N -2.62 0.00 -3.73 2.79 0.28 -1.26 -4.53 120.64 111.57 4trx n GLU 6 Ca 0.10 -0.09 0.04 0.00 -0.16 0.00 0.00 57.16 57.05 4trx n GLU 6 Cb 0.60 -0.05 0.00 0.00 1.43 0.00 0.00 31.44 33.42 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 -0.08 -0.00 -0.10 -1.84 1.04 -1.26 -4.69 113.70 106.76 4trx s SER 7 Ca 0.00 -0.01 -0.24 0.00 0.48 0.00 0.00 55.95 56.19 4trx s SER 7 Cb 0.00 0.01 -0.28 0.00 0.10 0.00 0.00 66.02 65.85 4trx s SER 7 CO 0.00 -0.01 0.74 0.50 0.98 0.00 0.00 173.24 175.45 4trx h LYS 8 N 2.00 0.15 -0.95 4.02 3.64 -1.97 -2.72 116.57 120.73 4trx h LYS 8 Ca -0.29 -0.26 0.22 0.00 -1.27 0.00 0.00 60.65 59.06 4trx h LYS 8 Cb 1.18 0.10 -0.07 0.00 -0.41 0.00 0.00 32.23 33.03 4trx h LYS 8 CO 0.30 1.12 0.63 1.15 -2.27 0.00 0.00 179.45 180.38 4trx h THR 9 N -0.66 0.63 -0.00 1.00 2.02 -2.01 -0.69 112.91 113.21 4trx h THR 9 Ca -0.13 -0.14 -0.05 0.00 0.77 0.00 0.00 66.41 66.86 4trx h THR 9 Cb 1.39 0.19 0.00 0.00 -1.74 0.00 0.00 68.15 67.99 4trx h THR 9 CO 0.05 0.07 -0.20 0.00 0.37 0.00 0.00 175.52 175.81 4trx h ALA 10 N 1.61 0.03 -1.18 6.16 0.00 -1.96 -3.06 119.26 120.85 4trx h ALA 10 Ca 0.51 -0.45 0.34 0.00 0.00 0.00 0.00 54.91 55.31 4trx h ALA 10 Cb 1.28 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 19.03 4trx h ALA 10 CO -0.21 0.05 1.01 0.35 0.00 0.00 0.00 179.25 180.45 4trx h PHE 11 N -0.55 0.00 0.04 0.00 3.57 -0.80 0.41 116.94 119.61 4trx h PHE 11 Ca -0.02 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.47 4trx h PHE 11 Cb 0.96 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.70 4trx h PHE 11 CO 0.18 0.00 -0.02 1.96 -2.23 0.00 0.00 178.31 178.20 4trx h GLN 12 N 0.00 -0.05 0.00 1.11 1.08 -1.36 -3.17 115.11 112.71 4trx h GLN 12 Ca 0.56 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.77 4trx h GLN 12 Cb 2.58 0.01 0.00 0.00 -0.05 0.00 0.00 27.48 30.02 4trx h GLN 12 CO -0.01 -0.03 0.25 1.05 -0.95 0.00 0.00 178.83 179.14 4trx h GLU 13 N -0.27 0.00 0.04 1.46 -0.00 -1.25 0.31 114.58 114.87 4trx h GLU 13 Ca -0.01 0.00 -0.24 0.00 -0.00 0.00 0.00 59.36 59.11 4trx h GLU 13 Cb 0.04 0.00 0.01 0.00 -0.00 0.00 0.00 28.75 28.80 4trx h GLU 13 CO 0.01 0.00 -1.03 0.00 -0.00 0.00 0.00 179.01 177.99 4trx h ALA 14 N 1.40 0.27 0.00 1.06 0.00 -1.03 -2.06 119.26 118.91 4trx h ALA 14 Ca 0.00 -0.75 0.00 0.00 0.00 0.00 0.00 54.91 54.16 4trx h ALA 14 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.29 4trx h ALA 14 CO 0.00 0.83 0.00 1.28 0.00 0.00 0.00 179.25 181.36 4trx n LEU 15 N -3.71 0.06 -0.03 0.00 4.77 0.11 -2.36 117.00 115.84 4trx n LEU 15 Ca -0.08 0.51 -0.06 0.00 -0.03 0.00 0.00 56.01 56.35 4trx n LEU 15 Cb 0.89 -0.49 -0.13 0.00 -2.33 0.00 0.00 43.42 41.35 4trx n LEU 15 CO 0.52 -0.05 -0.67 -0.67 -1.33 0.00 0.00 177.39 175.20 4trx n ASP 16 N -1.56 0.57 -0.93 -1.43 2.03 -1.00 -3.93 116.55 110.29 4trx n ASP 16 Ca 0.06 0.27 0.11 0.00 0.52 0.00 0.00 54.79 55.75 4trx n ASP 16 Cb 0.32 0.40 0.27 0.00 -0.72 0.00 0.00 41.12 41.39 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 -2.56 2.45 -0.00 -1.67 0.00 -0.79 -4.05 120.51 113.88 4trx n ALA 17 Ca -0.19 -0.84 0.04 0.00 0.00 0.00 0.00 53.44 52.45 4trx n ALA 17 Cb 1.01 -0.96 0.22 0.00 0.00 0.00 0.00 19.45 19.72 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 1.03 3.23 -0.91 0.00 0.00 -0.99 -4.99 120.51 117.87 4trx n ALA 18 Ca 0.18 -1.03 0.00 0.00 0.00 0.00 0.00 53.44 52.59 4trx n ALA 18 Cb 0.48 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.87 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 0.38 1.26 0.00 0.00 0.00 -1.26 -3.97 105.19 101.61 4trx n GLY 19 Ca 0.15 0.37 0.00 0.00 0.00 0.00 0.00 46.02 46.54 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 11.52 0.00 -4.18 1.61 5.68 -1.26 -4.90 116.55 125.03 4trx n ASP 20 Ca 0.00 0.00 -0.36 0.00 -0.50 0.00 0.00 54.79 53.93 4trx n ASP 20 Cb 0.00 0.00 0.05 0.00 -1.14 0.00 0.00 41.12 40.03 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 -0.42 -0.01 -1.45 0.11 4.01 -1.25 -4.49 118.16 114.66 4trx n LYS 21 Ca 0.00 0.01 -0.41 0.00 -0.51 0.00 0.00 58.31 57.40 4trx n LYS 21 Cb 0.00 -1.25 0.01 0.00 -0.51 0.00 0.00 35.03 33.29 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 2.03 -0.04 -3.83 -0.35 7.99 -1.26 -4.73 117.00 116.81 4trx n LEU 22 Ca 0.03 0.86 -0.30 0.00 -0.01 0.00 0.00 56.01 56.59 4trx n LEU 22 Cb 0.53 -1.11 -0.15 0.00 -0.11 0.00 0.00 43.42 42.57 4trx n LEU 22 CO 0.52 -3.01 -0.36 -0.69 -1.51 0.00 0.00 177.39 172.35 4trx s VAL 23 N -1.55 1.21 -0.22 4.08 1.01 -0.84 -2.40 120.40 121.70 4trx s VAL 23 Ca 0.64 -1.39 -0.11 0.00 0.00 0.00 0.00 61.98 61.11 4trx s VAL 23 Cb -0.56 -1.78 -0.05 0.00 0.00 0.00 0.00 36.38 33.99 4trx s VAL 23 CO 0.58 -0.46 0.18 -0.69 0.00 0.00 0.00 175.10 174.70 4trx s VAL 24 N 1.48 5.36 0.12 2.92 1.01 -1.07 -0.70 120.40 129.52 4trx s VAL 24 Ca 0.05 0.25 0.02 0.00 0.00 0.00 0.00 61.98 62.30 4trx s VAL 24 Cb -0.18 -3.52 -0.04 0.00 0.00 0.00 0.00 36.38 32.65 4trx s VAL 24 CO -0.15 0.38 0.22 -0.69 0.00 0.00 0.00 175.10 174.86 4trx s VAL 25 N 0.76 5.13 -0.46 2.92 1.01 -0.15 -2.52 120.40 127.09 4trx s VAL 25 Ca 0.09 -0.69 0.03 0.00 0.00 0.00 0.00 61.98 61.41 4trx s VAL 25 Cb -0.13 -3.59 0.13 0.00 0.00 0.00 0.00 36.38 32.79 4trx s VAL 25 CO 0.02 -0.02 0.22 -0.62 0.00 0.00 0.00 175.10 174.70 4trx s ASP 26 N -2.97 4.13 -0.66 3.32 2.15 -0.84 -2.49 116.67 119.32 4trx s ASP 26 Ca 0.34 -2.72 -0.27 0.00 0.43 0.00 0.00 52.55 50.32 4trx s ASP 26 Cb -0.11 -1.39 0.02 0.00 -0.30 0.00 0.00 42.92 41.13 4trx s ASP 26 CO 0.27 -0.27 1.33 -0.36 -0.17 0.00 0.00 175.17 175.97 4trx s PHE 27 N 0.16 2.31 0.11 -5.34 0.08 0.80 -2.54 117.98 113.55 4trx s PHE 27 Ca 0.16 0.23 -0.03 0.00 0.12 0.00 0.00 56.93 57.41 4trx s PHE 27 Cb -0.24 -4.52 0.01 0.00 -0.57 0.00 0.00 43.02 37.70 4trx s PHE 27 CO -0.02 -1.96 0.19 -1.13 -0.10 0.00 0.00 175.22 172.20 4trx n SER 28 N 9.45 -0.53 -4.66 1.36 3.41 -1.07 -0.23 113.62 121.34 4trx n SER 28 Ca 0.07 -1.49 -0.35 0.00 -0.26 0.00 0.00 58.87 56.84 4trx n SER 28 Cb 0.49 0.93 -0.09 0.00 -0.26 0.00 0.00 64.21 65.28 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 -1.58 3.46 -1.45 7.33 0.00 -1.26 -2.51 121.76 125.75 4trx s ALA 29 Ca 0.06 -0.73 0.22 0.00 0.00 0.00 0.00 51.96 51.51 4trx s ALA 29 Cb -0.01 -1.94 -0.01 0.00 0.00 0.00 0.00 23.12 21.17 4trx s ALA 29 CO 0.05 0.22 1.07 -2.37 0.00 0.00 0.00 175.76 174.72 4trx n THR 30 N 3.39 0.00 -0.12 0.00 5.66 -1.26 -3.94 114.28 118.01 4trx n THR 30 Ca -0.17 -0.11 -0.24 0.00 -3.05 0.00 0.00 64.05 60.49 4trx n THR 30 Cb 0.52 0.98 -0.11 0.00 -1.55 0.00 0.00 70.33 70.17 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 -0.88 0.17 -0.54 1.09 4.27 -1.26 -4.92 117.44 115.37 4trx n TRP 31 Ca 0.07 0.05 -0.22 0.00 -3.89 0.00 0.00 57.50 53.51 4trx n TRP 31 Cb 0.38 -1.02 0.16 0.00 -1.36 0.00 0.00 31.31 29.48 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 2.34 -0.48 0.47 0.00 0.00 -1.26 -4.07 105.19 102.19 4trx n GLY 33 Ca 0.05 0.00 0.29 0.00 0.00 0.00 0.00 46.02 46.36 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 0.10 -0.16 1.61 0.11 -1.97 0.29 132.00 131.99 4trx h PRO 34 Ca 0.00 -0.01 -0.18 0.00 0.11 0.00 0.00 66.00 65.92 4trx h PRO 34 Cb 0.00 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 31.08 4trx h PRO 34 CO 0.00 0.07 -0.64 0.00 -0.21 0.00 0.00 178.00 177.22 4trx n LYS 36 N -3.92 1.91 0.06 0.00 4.81 0.94 -3.53 118.16 118.44 4trx n LYS 36 Ca -0.04 -1.18 -0.22 0.00 -0.87 0.00 0.00 58.31 56.00 4trx n LYS 36 Cb 0.66 -1.36 -0.15 0.00 0.02 0.00 0.00 35.03 34.20 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 1.82 0.36 -0.44 1.64 4.05 -1.00 -3.35 114.93 118.01 4trx h MET 37 Ca 0.00 -0.62 0.00 0.00 -0.28 0.00 0.00 59.70 58.80 4trx h MET 37 Cb 0.56 0.23 0.00 0.00 -0.80 0.00 0.00 31.60 31.59 4trx h MET 37 CO 0.04 1.28 0.00 -0.89 0.23 0.00 0.00 176.91 177.57 4trx n ILE 38 N -3.56 0.65 0.08 1.77 5.41 -1.25 -4.33 119.36 118.14 4trx n ILE 38 Ca -0.25 -0.83 -0.11 0.00 1.00 0.00 0.00 62.75 62.57 4trx n ILE 38 Cb 1.07 0.82 -0.09 0.00 -0.71 0.00 0.00 39.64 40.73 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 3.94 0.17 0.00 0.38 3.64 -1.69 -3.12 116.57 119.89 4trx h LYS 39 Ca 0.00 -0.25 0.00 0.00 -1.27 0.00 0.00 60.65 59.13 4trx h LYS 39 Cb 0.92 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.82 4trx h LYS 39 CO 0.00 1.07 0.00 -2.30 -2.27 0.00 0.00 179.45 175.95 4trx n PRO 40 N -3.52 0.03 0.07 1.90 -0.02 -1.26 -0.36 135.00 131.84 4trx n PRO 40 Ca -0.04 0.32 -0.22 0.00 -2.02 0.00 0.00 63.50 61.54 4trx n PRO 40 Cb 0.93 -1.50 -0.15 0.00 -0.02 0.00 0.00 33.50 32.77 4trx n PRO 40 CO 0.00 0.00 0.00 0.74 1.98 0.00 0.00 175.50 178.22 4trx h PHE 41 N 0.00 0.66 0.00 6.00 -1.00 -1.84 -3.08 116.94 117.67 4trx h PHE 41 Ca 0.00 -0.48 0.00 0.00 2.81 0.00 0.00 57.97 60.30 4trx h PHE 41 Cb 0.05 -0.03 0.00 0.00 3.61 0.00 0.00 35.95 39.58 4trx h PHE 41 CO 0.00 1.64 -0.54 0.35 -1.61 0.00 0.00 178.31 178.15 4trx h PHE 42 N 0.10 0.00 0.00 -0.55 3.57 -1.13 -3.26 116.94 115.67 4trx h PHE 42 Ca -0.34 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.16 4trx h PHE 42 Cb 2.09 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.83 4trx h PHE 42 CO 0.09 0.00 -0.29 1.58 -2.23 0.00 0.00 178.31 177.47 4trx n HIS 43 N -2.76 0.10 0.09 0.41 -0.00 0.51 -3.61 115.22 109.96 4trx n HIS 43 Ca 0.02 0.03 0.02 0.00 0.46 0.00 0.00 57.72 58.25 4trx n HIS 43 Cb 0.53 -0.42 -0.03 0.00 -0.12 0.00 0.00 29.99 29.95 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 0.22 0.26 4.64 -1.57 -3.23 113.55 113.86 4trx h SER 44 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 4trx h SER 44 Cb 0.53 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.62 4trx h SER 44 CO 0.00 0.50 0.00 0.18 -0.87 0.00 0.00 176.83 176.64 4trx n LEU 45 N -3.03 0.00 0.25 5.97 4.77 -1.24 -2.58 117.00 121.14 4trx n LEU 45 Ca -0.04 0.31 0.07 0.00 -0.03 0.00 0.00 56.01 56.33 4trx n LEU 45 Cb 0.77 -0.31 0.59 0.00 -2.33 0.00 0.00 43.42 42.14 4trx n LEU 45 CO 0.42 -0.20 0.99 -1.28 -1.33 0.00 0.00 177.39 175.99 4trx h SER 46 N 0.00 0.00 0.00 -1.43 0.87 -1.77 -2.44 113.55 108.79 4trx h SER 46 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 4trx h SER 46 Cb 0.11 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.07 4trx h SER 46 CO 0.00 0.08 -1.18 -0.62 -0.53 0.00 0.00 176.83 174.58 4trx n GLU 47 N -4.39 1.39 -0.03 2.24 1.02 -1.06 -4.27 120.64 115.53 4trx n GLU 47 Ca -0.03 -0.07 -0.01 0.00 -0.02 0.00 0.00 57.16 57.03 4trx n GLU 47 Cb 0.16 -1.23 -0.00 0.00 -0.02 0.00 0.00 31.44 30.35 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 0.00 0.00 -6.53 3.49 1.63 -1.57 -3.43 116.57 110.16 4trx h LYS 48 Ca 0.00 0.00 -0.55 0.00 -0.85 0.00 0.00 60.65 59.25 4trx h LYS 48 Cb 0.48 0.00 -0.07 0.00 -0.60 0.00 0.00 32.23 32.04 4trx h LYS 48 CO 0.00 0.00 1.00 0.71 -3.45 0.00 0.00 179.45 177.71 4trx s TYR 49 N -1.45 2.53 -1.17 1.91 2.02 -0.94 -4.81 117.35 115.44 4trx s TYR 49 Ca -0.03 0.36 0.23 0.00 -0.37 0.00 0.00 57.07 57.26 4trx s TYR 49 Cb 0.00 -4.52 0.15 0.00 -0.40 0.00 0.00 41.96 37.20 4trx s TYR 49 CO 0.05 -1.70 1.17 -1.13 -1.57 0.00 0.00 175.55 172.37 4trx n SER 50 N 8.69 0.92 -1.35 2.29 3.41 -1.26 -3.93 113.62 122.39 4trx n SER 50 Ca 0.08 -0.76 0.09 0.00 -0.26 0.00 0.00 58.87 58.02 4trx n SER 50 Cb 0.49 0.59 0.31 0.00 -0.26 0.00 0.00 64.21 65.34 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 -1.28 3.95 -3.82 4.04 2.85 -1.26 -4.88 115.26 114.87 4trx n ASN 51 Ca 0.06 -2.23 -0.13 0.00 -0.11 0.00 0.00 54.58 52.17 4trx n ASN 51 Cb 0.35 -0.50 -0.13 0.00 1.24 0.00 0.00 39.78 40.73 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 -1.54 -0.01 0.22 3.44 1.01 -1.25 -4.55 120.40 117.71 4trx s VAL 52 Ca 0.45 0.04 -0.07 0.00 0.00 0.00 0.00 61.98 62.39 4trx s VAL 52 Cb 0.27 -0.17 -0.06 0.00 0.00 0.00 0.00 36.38 36.41 4trx s VAL 52 CO 0.25 0.02 0.50 -0.63 0.00 0.00 0.00 175.10 175.24 4trx s ILE 53 N 0.30 5.02 0.01 2.22 1.01 -1.01 -4.93 121.20 123.81 4trx s ILE 53 Ca -0.02 0.25 0.03 0.00 0.00 0.00 0.00 60.65 60.91 4trx s ILE 53 Cb -0.03 -3.65 -0.01 0.00 0.01 0.00 0.00 42.46 38.78 4trx s ILE 53 CO -0.01 -0.11 -0.10 -0.36 0.00 0.00 0.00 174.94 174.36 4trx s PHE 54 N -1.84 0.89 0.12 3.97 0.08 -1.26 -2.61 117.98 117.33 4trx s PHE 54 Ca 0.45 -0.22 0.05 0.00 0.12 0.00 0.00 56.93 57.32 4trx s PHE 54 Cb -0.11 -0.56 -0.04 0.00 -0.57 0.00 0.00 43.02 41.74 4trx s PHE 54 CO 0.24 -0.01 -0.12 -0.51 -0.10 0.00 0.00 175.22 174.73 4trx s LEU 55 N -0.51 2.45 -0.15 -0.37 1.02 -1.05 0.02 118.68 120.09 4trx s LEU 55 Ca 0.02 -0.88 -0.01 0.00 0.02 0.00 0.00 54.13 53.28 4trx s LEU 55 Cb -0.05 -0.41 0.04 0.00 0.02 0.00 0.00 46.19 45.79 4trx s LEU 55 CO 0.00 -0.24 -0.04 -0.70 0.02 0.00 0.00 176.35 175.38 4trx s GLU 56 N -3.08 1.32 -0.22 1.70 -6.30 0.78 -1.98 118.70 110.92 4trx s GLU 56 Ca 0.11 -0.42 -0.10 0.00 -2.50 0.00 0.00 54.97 52.05 4trx s GLU 56 Cb -0.02 -1.87 -0.05 0.00 0.00 0.00 0.00 34.13 32.19 4trx s GLU 56 CO 0.01 -0.41 0.14 0.08 0.02 0.00 0.00 175.26 175.10 4trx s VAL 57 N 1.69 5.35 -0.49 3.70 1.01 -1.05 -1.76 120.40 128.84 4trx s VAL 57 Ca 0.02 0.17 -0.21 0.00 0.00 0.00 0.00 61.98 61.96 4trx s VAL 57 Cb -0.15 -3.47 0.04 0.00 0.00 0.00 0.00 36.38 32.81 4trx s VAL 57 CO -0.08 0.39 0.69 -0.62 0.00 0.00 0.00 175.10 175.48 4trx s ASP 58 N 0.73 6.27 0.00 3.32 2.15 -1.26 -2.59 116.67 125.30 4trx s ASP 58 Ca 0.08 -0.63 0.03 0.00 0.43 0.00 0.00 52.55 52.45 4trx s ASP 58 Cb -0.12 -2.33 0.18 0.00 -0.30 0.00 0.00 42.92 40.35 4trx s ASP 58 CO 0.01 -0.92 0.51 1.33 -0.17 0.00 0.00 175.17 175.93 4trx n VAL 59 N 5.80 0.00 -0.11 1.11 0.24 -1.05 -0.47 118.33 123.85 4trx n VAL 59 Ca -0.03 0.00 -0.25 0.00 -2.04 0.00 0.00 64.34 62.02 4trx n VAL 59 Cb 0.47 -0.64 -0.11 0.00 -1.47 0.00 0.00 33.84 32.09 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 -0.74 1.93 -0.08 -1.34 -0.08 -1.26 -4.45 116.55 110.53 4trx n ASP 60 Ca 0.02 0.34 -0.09 0.00 -1.51 0.00 0.00 54.79 53.56 4trx n ASP 60 Cb 0.01 -0.87 -0.15 0.00 2.34 0.00 0.00 41.12 42.45 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 -4.23 0.20 -4.06 1.67 2.03 -1.00 -4.64 116.55 106.53 4trx n ASP 61 Ca -0.42 0.10 -0.36 0.00 0.52 0.00 0.00 54.79 54.63 4trx n ASP 61 Cb 0.81 0.80 -0.06 0.00 -0.72 0.00 0.00 41.12 41.94 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 2.16 0.62 0.01 0.00 10.64 -1.26 -3.66 117.38 125.89 4trx n GLN 63 Ca 0.22 0.08 0.01 0.00 -1.83 0.00 0.00 57.00 55.48 4trx n GLN 63 Cb 0.37 -1.76 0.32 0.00 -0.86 0.00 0.00 30.24 28.31 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 0.45 0.68 2.61 2.03 -1.95 0.29 116.42 120.53 4trx h ASP 64 Ca -0.05 -0.08 -0.23 0.00 -0.73 0.00 0.00 57.03 55.94 4trx h ASP 64 Cb 1.15 -0.12 -0.01 0.00 -0.83 0.00 0.00 39.33 39.53 4trx h ASP 64 CO 0.01 0.51 -1.07 0.58 -1.03 0.00 0.00 179.24 178.25 4trx h VAL 65 N 0.47 1.54 -0.17 4.15 2.07 -1.91 -2.51 116.25 119.90 4trx h VAL 65 Ca 0.10 -2.98 -0.16 0.00 0.82 0.00 0.00 66.70 64.48 4trx h VAL 65 Cb 0.29 2.76 0.00 0.00 -1.52 0.00 0.00 31.29 32.82 4trx h VAL 65 CO 0.01 0.87 -0.50 0.00 0.02 0.00 0.00 177.57 177.96 4trx h ALA 66 N 0.80 0.29 0.00 1.67 0.00 -1.49 -2.60 119.26 117.93 4trx h ALA 66 Ca -0.08 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.34 4trx h ALA 66 Cb 1.77 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.52 4trx h ALA 66 CO 0.16 0.47 0.00 0.45 0.00 0.00 0.00 179.25 180.34 4trx n SER 67 N -4.17 0.00 0.04 0.00 2.88 0.97 -2.28 113.62 111.06 4trx n SER 67 Ca -0.07 0.11 -0.00 0.00 -1.33 0.00 0.00 58.87 57.58 4trx n SER 67 Cb 0.60 -0.33 -0.07 0.00 -0.75 0.00 0.00 64.21 63.65 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 0.00 0.00 -1.46 4.81 -1.06 -3.30 114.58 113.57 4trx h GLU 68 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 4trx h GLU 68 Cb 0.22 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.60 4trx h GLU 68 CO 0.00 0.33 -0.80 0.00 -0.73 0.00 0.00 179.01 177.81 4trx n GLU 70 N -1.67 -3.97 -1.73 0.00 2.13 -1.00 -5.01 120.64 109.38 4trx n GLU 70 Ca 0.04 0.44 -0.31 0.00 0.66 0.00 0.00 57.16 57.99 4trx n GLU 70 Cb 0.37 -4.30 0.03 0.00 0.27 0.00 0.00 31.44 27.82 4trx n GLU 70 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 4trx s VAL 71 N -3.18 4.29 0.00 6.31 1.01 -1.19 -4.98 120.40 122.67 4trx s VAL 71 Ca 0.19 0.77 0.00 0.00 0.00 0.00 0.00 61.98 62.94 4trx s VAL 71 Cb -0.09 -3.58 0.00 0.00 0.00 0.00 0.00 36.38 32.71 4trx s VAL 71 CO 0.39 -0.95 0.84 1.17 0.00 0.00 0.00 175.10 176.56 4trx n LYS 72 N -2.89 0.00 0.00 2.72 4.81 -1.26 -4.96 118.16 116.58 4trx n LYS 72 Ca 0.07 -0.74 0.00 0.00 -0.87 0.00 0.00 58.31 56.77 4trx n LYS 72 Cb 0.54 -0.39 0.00 0.00 0.02 0.00 0.00 35.03 35.20 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 0.00 5.14 0.46 0.00 -4.23 -1.26 -4.03 115.64 111.72 4trx s THR 74 Ca 0.00 -0.70 -0.20 0.00 -1.18 0.00 0.00 61.69 59.61 4trx s THR 74 Cb 0.00 -3.61 -0.10 0.00 1.34 0.00 0.00 72.50 70.13 4trx s THR 74 CO 0.00 -0.03 0.97 -2.16 -0.54 0.00 0.00 174.62 172.86 4trx s PRO 75 N -3.01 4.10 -0.02 3.99 0.04 -1.26 -4.92 135.00 133.91 4trx s PRO 75 Ca 0.34 1.12 0.03 0.00 0.04 0.00 0.00 61.00 62.53 4trx s PRO 75 Cb -0.11 -2.16 -0.00 0.00 0.04 0.00 0.00 34.50 32.27 4trx s PRO 75 CO 0.27 -0.15 -0.12 0.99 0.04 0.00 0.00 177.00 178.03 4trx s THR 76 N -2.25 0.99 -0.03 1.26 2.01 0.68 -2.69 115.64 115.60 4trx s THR 76 Ca 0.62 -0.50 0.03 0.00 0.31 0.00 0.00 61.69 62.14 4trx s THR 76 Cb -0.10 -0.85 -0.03 0.00 0.01 0.00 0.00 72.50 71.53 4trx s THR 76 CO 0.18 0.29 -0.09 -0.36 -0.69 0.00 0.00 174.62 173.95 4trx s PHE 77 N -0.08 2.86 0.05 4.92 0.08 -1.02 -0.14 117.98 124.65 4trx s PHE 77 Ca 0.01 -0.05 0.02 0.00 0.12 0.00 0.00 56.93 57.04 4trx s PHE 77 Cb -0.07 -1.64 -0.03 0.00 -0.57 0.00 0.00 43.02 40.71 4trx s PHE 77 CO 0.00 0.32 -0.08 -0.65 -0.10 0.00 0.00 175.22 174.71 4trx s GLN 78 N -1.07 0.57 -0.19 0.44 1.11 -1.04 -2.23 119.66 117.25 4trx s GLN 78 Ca 0.14 -0.81 -0.03 0.00 0.01 0.00 0.00 55.36 54.68 4trx s GLN 78 Cb -0.11 -0.34 -0.01 0.00 -1.01 0.00 0.00 33.01 31.54 4trx s GLN 78 CO 0.04 0.06 -0.07 -0.06 0.01 0.00 0.00 175.29 175.27 4trx s PHE 79 N -1.48 2.92 0.04 0.91 0.40 0.14 -0.98 117.98 119.93 4trx s PHE 79 Ca -0.08 -0.85 0.09 0.00 -0.60 0.00 0.00 56.93 55.48 4trx s PHE 79 Cb -0.09 -2.02 -0.03 0.00 0.51 0.00 0.00 43.02 41.39 4trx s PHE 79 CO 0.00 -0.44 -0.25 -0.06 0.70 0.00 0.00 175.22 175.17 4trx s PHE 80 N 1.11 2.36 -0.09 0.36 0.08 0.12 -1.53 117.98 120.38 4trx s PHE 80 Ca 0.01 -0.39 -0.01 0.00 0.12 0.00 0.00 56.93 56.66 4trx s PHE 80 Cb -0.15 -1.41 0.03 0.00 -0.57 0.00 0.00 43.02 40.92 4trx s PHE 80 CO -0.01 0.14 -0.04 0.21 -0.10 0.00 0.00 175.22 175.41 4trx s LYS 81 N -1.24 1.08 -0.39 0.44 2.20 0.39 -2.00 119.74 120.23 4trx s LYS 81 Ca 0.12 -0.08 0.00 0.00 -0.36 0.00 0.00 55.97 55.65 4trx s LYS 81 Cb -0.10 -1.27 0.00 0.00 -1.51 0.00 0.00 37.83 34.95 4trx s LYS 81 CO 0.02 -0.27 0.00 1.63 -0.36 0.00 0.00 175.35 176.37 4trx n LYS 82 N 4.98 -1.75 0.00 4.03 5.02 -1.26 0.11 118.16 129.29 4trx n LYS 82 Ca -0.11 0.39 0.00 0.00 -2.02 0.00 0.00 58.31 56.58 4trx n LYS 82 Cb 0.50 -4.16 0.00 0.00 -0.02 0.00 0.00 35.03 31.35 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 0.29 1.68 2.83 0.72 0.00 -1.26 -4.98 105.19 104.46 4trx n GLY 83 Ca -0.04 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.73 4trx n GLY 83 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 4trx s GLN 84 N -0.64 1.01 0.20 1.61 -0.21 0.30 -5.11 119.66 116.81 4trx s GLN 84 Ca 0.00 -0.08 -0.31 0.00 0.02 0.00 0.00 55.36 54.99 4trx s GLN 84 Cb 0.00 -1.31 -0.10 0.00 1.00 0.00 0.00 33.01 32.60 4trx s GLN 84 CO 0.00 -0.31 1.50 0.21 -2.12 0.00 0.00 175.29 174.57 4trx s LYS 85 N 1.85 4.24 0.00 2.91 2.20 -1.26 -0.46 119.74 129.22 4trx s LYS 85 Ca 0.05 2.32 0.00 0.00 -0.36 0.00 0.00 55.97 57.98 4trx s LYS 85 Cb -0.13 -3.14 0.00 0.00 -1.51 0.00 0.00 37.83 33.06 4trx s LYS 85 CO -0.07 -0.52 0.00 1.33 -0.36 0.00 0.00 175.35 175.74 4trx n VAL 86 N 3.23 0.00 -3.86 4.02 0.24 -0.58 -4.92 118.33 116.45 4trx n VAL 86 Ca 0.11 0.00 -0.11 0.00 -2.04 0.00 0.00 64.34 62.29 4trx n VAL 86 Cb 0.39 0.16 -0.10 0.00 -1.47 0.00 0.00 33.84 32.82 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 -1.21 0.01 -0.29 7.63 0.00 -1.22 -5.01 107.32 107.23 4trx s GLY 87 Ca 0.00 -0.03 -0.13 0.00 0.00 0.00 0.00 44.72 44.56 4trx s GLY 87 CO 0.00 -0.16 0.72 1.85 0.00 0.00 0.00 173.10 175.51 4trx s GLU 88 N -1.19 0.57 -0.12 2.90 2.12 -1.26 0.23 118.70 121.95 4trx s GLU 88 Ca -0.13 1.25 -0.07 0.00 0.36 0.00 0.00 54.97 56.38 4trx s GLU 88 Cb -0.07 0.56 0.04 0.00 0.26 0.00 0.00 34.13 34.93 4trx s GLU 88 CO 0.02 -0.17 0.29 -0.59 -0.54 0.00 0.00 175.26 174.27 4trx s PHE 89 N 2.37 -0.38 0.35 5.30 -0.12 -0.95 -5.03 117.98 119.52 4trx s PHE 89 Ca -0.07 0.89 0.07 0.00 -0.05 0.00 0.00 56.93 57.77 4trx s PHE 89 Cb -0.09 0.11 -0.01 0.00 -0.63 0.00 0.00 43.02 42.40 4trx s PHE 89 CO -0.19 -0.24 0.41 -1.54 -0.05 0.00 0.00 175.22 173.61 4trx s SER 90 N 1.01 5.60 0.00 1.98 1.04 -1.26 -2.42 113.70 119.65 4trx s SER 90 Ca -0.07 -0.38 0.00 0.00 0.48 0.00 0.00 55.95 55.98 4trx s SER 90 Cb -0.08 -1.02 0.00 0.00 0.10 0.00 0.00 66.02 65.02 4trx s SER 90 CO -0.07 -0.46 0.00 0.61 0.98 0.00 0.00 173.24 174.30 4trx n GLY 91 N -1.55 3.70 2.26 7.32 0.00 -1.10 -4.88 105.19 110.94 4trx n GLY 91 Ca 0.00 -1.51 -0.27 0.00 0.00 0.00 0.00 46.02 44.25 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 -0.52 6.63 -2.83 4.61 0.00 -1.26 -4.84 120.51 122.30 4trx n ALA 92 Ca 0.00 -2.68 -0.36 0.00 0.00 0.00 0.00 53.44 50.40 4trx n ALA 92 Cb 0.00 -2.96 -0.07 0.00 0.00 0.00 0.00 19.45 16.43 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 2.30 6.13 -0.17 0.00 3.04 -1.26 -5.02 114.94 119.96 4trx s ASN 93 Ca 0.63 0.37 -0.15 0.00 0.04 0.00 0.00 52.86 53.76 4trx s ASN 93 Cb 0.21 -1.96 -0.06 0.00 -1.54 0.00 0.00 41.25 37.90 4trx s ASN 93 CO -0.04 0.38 -0.30 0.29 -3.04 0.00 0.00 177.10 174.39 4trx n LYS 94 N 2.20 0.47 0.00 0.43 4.01 -1.26 -4.30 118.16 119.71 4trx n LYS 94 Ca -0.19 0.19 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 4trx n LYS 94 Cb 0.54 -1.31 0.00 0.00 -0.51 0.00 0.00 35.03 33.75 4trx n LYS 94 CO 0.00 0.00 0.00 0.39 -1.11 0.00 0.00 177.40 176.68 4trx n GLU 95 N -4.26 0.00 -0.04 1.97 1.02 -1.26 -0.92 120.64 117.15 4trx n GLU 95 Ca -0.21 0.26 -0.20 0.00 -0.02 0.00 0.00 57.16 57.00 4trx n GLU 95 Cb 0.55 -1.66 -0.13 0.00 -0.02 0.00 0.00 31.44 30.17 4trx n GLU 95 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 4trx h LYS 96 N 0.00 0.12 -0.04 3.49 1.63 -2.00 -3.32 116.57 116.44 4trx h LYS 96 Ca 0.00 -0.20 0.02 0.00 -0.85 0.00 0.00 60.65 59.62 4trx h LYS 96 Cb 0.32 0.08 -0.05 0.00 -0.60 0.00 0.00 32.23 31.98 4trx h LYS 96 CO 0.00 1.10 -0.46 -0.07 -3.45 0.00 0.00 179.45 176.56 4trx h LEU 97 N -0.68 -1.44 0.00 5.20 3.38 -1.22 0.22 115.31 120.77 4trx h LEU 97 Ca -0.23 0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.91 4trx h LEU 97 Cb 1.43 0.55 0.00 0.00 0.09 0.00 0.00 40.66 42.74 4trx h LEU 97 CO -0.02 -0.44 0.00 1.21 0.09 0.00 0.00 178.44 179.28 4trx n GLU 98 N -5.02 0.00 -0.27 1.13 2.13 -1.24 0.08 120.64 117.45 4trx n GLU 98 Ca -0.06 0.67 0.07 0.00 0.66 0.00 0.00 57.16 58.50 4trx n GLU 98 Cb 0.33 -1.24 0.18 0.00 0.27 0.00 0.00 31.44 30.98 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 -1.58 0.87 -0.56 4.31 0.00 -1.64 0.30 119.26 120.96 4trx h ALA 99 Ca 0.00 0.26 0.08 0.00 0.00 0.00 0.00 54.91 55.25 4trx h ALA 99 Cb 0.00 0.44 -0.07 0.00 0.00 0.00 0.00 17.79 18.16 4trx h ALA 99 CO 0.00 -0.44 0.20 1.15 0.00 0.00 0.00 179.25 180.16 4trx h THR 100 N 0.10 0.79 -0.86 0.00 2.02 0.62 0.11 112.91 115.70 4trx h THR 100 Ca 0.45 -0.13 0.03 0.00 0.77 0.00 0.00 66.41 67.53 4trx h THR 100 Cb 0.82 0.38 -0.05 0.00 -1.74 0.00 0.00 68.15 67.56 4trx h THR 100 CO -0.71 0.07 0.56 0.40 0.37 0.00 0.00 175.52 176.22 4trx h ILE 101 N 0.38 1.15 0.00 3.11 2.04 0.33 0.65 117.51 125.17 4trx h ILE 101 Ca 0.28 -0.37 0.00 0.00 1.00 0.00 0.00 64.86 65.77 4trx h ILE 101 Cb 0.33 -0.02 0.00 0.00 -0.74 0.00 0.00 36.82 36.38 4trx h ILE 101 CO -0.28 0.20 0.00 -3.20 0.00 0.00 0.00 178.15 174.86 4trx n ASN 102 N -4.44 0.48 -0.04 1.72 2.85 0.29 0.25 115.26 116.37 4trx n ASN 102 Ca 0.11 0.67 -0.15 0.00 -0.11 0.00 0.00 54.58 55.10 4trx n ASN 102 Cb 0.10 -0.75 -0.12 0.00 1.24 0.00 0.00 39.78 40.25 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 0.06 -0.10 1.20 4.81 0.14 -3.34 114.58 117.35 4trx h GLU 103 Ca 0.00 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 4trx h GLU 103 Cb 0.17 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.57 4trx h GLU 103 CO 0.00 0.93 0.00 1.28 -0.73 0.00 0.00 179.01 180.49 4trx n LEU 104 N -4.59 2.99 0.00 1.64 4.77 -0.97 -5.12 117.00 115.71 4trx n LEU 104 Ca -0.10 -1.06 0.00 0.00 -0.03 0.00 0.00 56.01 54.82 4trx n LEU 104 Cb 0.48 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.52 4trx n LEU 104 CO 0.36 0.53 0.11 0.55 -1.33 0.00 0.00 177.39 177.61