#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 2.14 -3.89 2.03 0.31 -1.26 -3.98 118.33 113.68 4trx n VAL 2 Ca 0.00 -0.50 -0.10 0.00 -0.01 0.00 0.00 64.34 63.73 4trx n VAL 2 Cb 0.00 -1.41 -0.10 0.00 -0.91 0.00 0.00 33.84 31.43 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 -1.89 0.54 0.16 5.55 2.20 -0.12 -4.97 119.74 121.21 4trx s LYS 3 Ca 0.58 -0.56 0.04 0.00 -0.36 0.00 0.00 55.97 55.67 4trx s LYS 3 Cb -0.58 0.22 -0.04 0.00 -1.51 0.00 0.00 37.83 35.92 4trx s LYS 3 CO 0.60 -0.13 0.22 -1.14 -0.36 0.00 0.00 175.35 174.55 4trx s GLN 4 N -1.94 3.20 0.30 4.03 0.74 -1.26 -0.05 119.66 124.67 4trx s GLN 4 Ca -0.10 -0.73 0.04 0.00 0.05 0.00 0.00 55.36 54.61 4trx s GLN 4 Cb -0.05 -2.82 0.04 0.00 1.10 0.00 0.00 33.01 31.28 4trx s GLN 4 CO -0.01 0.50 0.33 -0.89 -0.55 0.00 0.00 175.29 174.67 4trx n ILE 5 N -0.52 0.00 0.14 -2.34 2.08 -1.09 -4.87 119.36 112.76 4trx n ILE 5 Ca -0.08 -1.08 0.00 0.00 0.56 0.00 0.00 62.75 62.16 4trx n ILE 5 Cb 0.54 -0.53 0.00 0.00 -0.75 0.00 0.00 39.64 38.91 4trx n ILE 5 CO 0.00 0.00 0.00 1.21 0.56 0.00 0.00 176.55 178.32 4trx n GLU 6 N -1.46 0.00 -1.73 0.38 2.13 -1.26 -4.87 120.64 113.83 4trx n GLU 6 Ca 0.04 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.86 4trx n GLU 6 Cb 0.32 -0.01 0.00 0.00 0.27 0.00 0.00 31.44 32.02 4trx n GLU 6 CO 0.00 0.00 0.00 -1.13 -0.41 0.00 0.00 177.13 175.59 4trx n SER 7 N -3.43 0.00 0.15 4.31 3.41 -1.26 -4.48 113.62 112.32 4trx n SER 7 Ca 0.00 -0.89 -0.13 0.00 -0.26 0.00 0.00 58.87 57.59 4trx n SER 7 Cb 0.00 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 63.87 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 -0.39 -1.07 4.33 3.64 -1.95 0.64 116.57 121.78 4trx h LYS 8 Ca 0.00 0.03 0.29 0.00 -1.27 0.00 0.00 60.65 59.70 4trx h LYS 8 Cb 0.00 0.09 -0.07 0.00 -0.41 0.00 0.00 32.23 31.83 4trx h LYS 8 CO 0.00 -0.06 0.72 1.15 -2.27 0.00 0.00 179.45 179.00 4trx h THR 9 N -0.77 0.49 0.20 1.00 2.02 -2.00 -0.66 112.91 113.19 4trx h THR 9 Ca -0.04 -0.08 -0.01 0.00 0.77 0.00 0.00 66.41 67.05 4trx h THR 9 Cb 0.51 0.24 0.00 0.00 -1.74 0.00 0.00 68.15 67.16 4trx h THR 9 CO 0.07 0.04 -0.09 0.00 0.37 0.00 0.00 175.52 175.90 4trx h ALA 10 N 1.55 -0.27 -1.42 6.16 0.00 -1.89 -2.55 119.26 120.83 4trx h ALA 10 Ca 0.57 -0.17 0.42 0.00 0.00 0.00 0.00 54.91 55.73 4trx h ALA 10 Cb 1.77 0.10 -0.08 0.00 0.00 0.00 0.00 17.79 19.58 4trx h ALA 10 CO -0.18 -0.29 0.99 0.35 0.00 0.00 0.00 179.25 180.12 4trx h PHE 11 N -0.98 0.22 0.02 0.00 3.57 0.56 0.98 116.94 121.32 4trx h PHE 11 Ca -0.03 0.01 -0.26 0.00 3.53 0.00 0.00 57.97 61.22 4trx h PHE 11 Cb 0.43 -0.06 0.02 0.00 2.79 0.00 0.00 35.95 39.14 4trx h PHE 11 CO 0.06 -0.05 -1.05 0.37 -2.23 0.00 0.00 178.31 175.41 4trx h GLN 12 N 0.07 0.67 -0.47 1.11 5.75 -1.22 -3.14 115.11 117.87 4trx h GLN 12 Ca 0.74 -0.75 -0.11 0.00 -0.15 0.00 0.00 58.65 58.38 4trx h GLN 12 Cb 2.67 0.22 -0.02 0.00 1.07 0.00 0.00 27.48 31.43 4trx h GLN 12 CO -0.15 1.32 -0.15 0.93 -2.65 0.00 0.00 178.83 178.13 4trx h GLU 13 N 0.33 0.91 -0.43 1.69 4.39 0.13 -2.54 114.58 119.06 4trx h GLU 13 Ca -0.14 -0.34 0.03 0.00 0.34 0.00 0.00 59.36 59.25 4trx h GLU 13 Cb 1.71 -0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 30.27 4trx h GLU 13 CO 0.21 0.99 0.22 0.00 -1.16 0.00 0.00 179.01 179.26 4trx h ALA 14 N 1.02 0.54 0.00 3.43 0.00 -0.75 0.32 119.26 123.82 4trx h ALA 14 Ca 0.12 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.05 4trx h ALA 14 Cb 0.69 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.42 4trx h ALA 14 CO 0.05 -0.14 0.00 1.28 0.00 0.00 0.00 179.25 180.44 4trx n LEU 15 N -4.91 0.45 0.04 0.00 4.77 -1.15 -1.53 117.00 114.67 4trx n LEU 15 Ca 0.02 0.61 0.11 0.00 -0.03 0.00 0.00 56.01 56.73 4trx n LEU 15 Cb 0.11 -0.54 -0.07 0.00 -2.33 0.00 0.00 43.42 40.58 4trx n LEU 15 CO 0.30 -0.45 -0.32 -0.67 -1.33 0.00 0.00 177.39 174.92 4trx n ASP 16 N -2.00 0.44 -0.66 -1.43 2.03 0.38 -4.00 116.55 111.32 4trx n ASP 16 Ca 0.03 0.05 0.10 0.00 0.52 0.00 0.00 54.79 55.49 4trx n ASP 16 Cb 0.22 1.20 0.04 0.00 -0.72 0.00 0.00 41.12 41.86 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 -2.13 2.96 0.92 -1.67 0.00 0.84 -4.16 120.51 117.26 4trx n ALA 17 Ca -0.01 -0.64 0.09 0.00 0.00 0.00 0.00 53.44 52.88 4trx n ALA 17 Cb 0.53 -0.72 0.28 0.00 0.00 0.00 0.00 19.45 19.54 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 0.57 2.47 -0.44 0.00 0.00 -0.58 -5.02 120.51 117.52 4trx n ALA 18 Ca 0.10 -0.65 0.00 0.00 0.00 0.00 0.00 53.44 52.89 4trx n ALA 18 Cb 0.48 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.92 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 1.18 2.43 0.00 0.00 0.00 -1.26 -3.87 105.19 103.67 4trx n GLY 19 Ca 0.15 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.85 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 7.51 1.01 -4.13 1.61 5.68 -1.26 -4.62 116.55 122.35 4trx n ASP 20 Ca 0.00 -0.12 -0.35 0.00 -0.50 0.00 0.00 54.79 53.82 4trx n ASP 20 Cb 0.00 0.45 0.10 0.00 -1.14 0.00 0.00 41.12 40.53 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 -0.55 -0.85 -1.91 0.11 5.02 -1.25 -4.11 118.16 114.63 4trx n LYS 21 Ca 0.00 -0.24 -0.41 0.00 -2.02 0.00 0.00 58.31 55.64 4trx n LYS 21 Cb 0.00 -1.35 -0.02 0.00 -0.02 0.00 0.00 35.03 33.64 4trx n LYS 21 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 4trx s LEU 22 N 3.28 4.36 -0.25 -0.35 2.96 -1.26 -4.63 118.68 122.80 4trx s LEU 22 Ca 0.46 2.83 0.00 0.00 -0.22 0.00 0.00 54.13 57.19 4trx s LEU 22 Cb -0.00 -3.64 0.07 0.00 0.50 0.00 0.00 46.19 43.12 4trx s LEU 22 CO 0.65 -0.79 -0.01 -0.69 -1.32 0.00 0.00 176.35 174.19 4trx s VAL 23 N -0.24 1.35 0.13 1.68 1.01 -0.87 -2.46 120.40 120.99 4trx s VAL 23 Ca 0.59 -1.24 0.02 0.00 0.00 0.00 0.00 61.98 61.35 4trx s VAL 23 Cb -0.44 -1.74 -0.04 0.00 0.00 0.00 0.00 36.38 34.16 4trx s VAL 23 CO 0.48 -0.24 0.26 -0.69 0.00 0.00 0.00 175.10 174.91 4trx s VAL 24 N 1.45 5.34 -0.01 2.92 1.01 -1.05 -0.21 120.40 129.86 4trx s VAL 24 Ca -0.01 -0.61 0.04 0.00 0.00 0.00 0.00 61.98 61.40 4trx s VAL 24 Cb -0.18 -3.71 -0.01 0.00 0.00 0.00 0.00 36.38 32.47 4trx s VAL 24 CO -0.09 -0.03 -0.14 -0.69 0.00 0.00 0.00 175.10 174.15 4trx s VAL 25 N -1.68 1.09 -0.66 2.92 1.01 0.09 -1.25 120.40 121.92 4trx s VAL 25 Ca 0.35 -0.59 -0.07 0.00 0.00 0.00 0.00 61.98 61.66 4trx s VAL 25 Cb -0.12 -0.91 0.17 0.00 0.00 0.00 0.00 36.38 35.53 4trx s VAL 25 CO 0.28 0.31 0.53 -0.62 0.00 0.00 0.00 175.10 175.60 4trx s ASP 26 N -0.33 5.80 -0.84 3.32 2.15 -1.06 -1.69 116.67 124.02 4trx s ASP 26 Ca 0.05 -2.64 -0.25 0.00 0.43 0.00 0.00 52.55 50.14 4trx s ASP 26 Cb -0.05 -1.99 0.02 0.00 -0.30 0.00 0.00 42.92 40.59 4trx s ASP 26 CO -0.01 -0.49 1.51 -0.36 -0.17 0.00 0.00 175.17 175.65 4trx s PHE 27 N 0.26 2.22 0.00 -5.34 0.08 0.21 -2.40 117.98 113.01 4trx s PHE 27 Ca 0.15 -0.12 0.00 0.00 0.12 0.00 0.00 56.93 57.08 4trx s PHE 27 Cb -0.18 -4.50 0.00 0.00 -0.57 0.00 0.00 43.02 37.77 4trx s PHE 27 CO -0.05 -2.02 0.00 -1.13 -0.10 0.00 0.00 175.22 171.92 4trx n SER 28 N 10.28 0.00 -4.47 1.36 3.41 -1.06 -0.21 113.62 122.93 4trx n SER 28 Ca 0.21 -0.83 -0.34 0.00 -0.26 0.00 0.00 58.87 57.65 4trx n SER 28 Cb 0.50 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 64.33 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 -1.66 3.03 -0.11 7.33 0.00 -1.26 -1.43 121.76 127.66 4trx s ALA 29 Ca 0.00 -0.92 -0.27 0.00 0.00 0.00 0.00 51.96 50.78 4trx s ALA 29 Cb 0.00 -1.69 -0.28 0.00 0.00 0.00 0.00 23.12 21.15 4trx s ALA 29 CO 0.00 -0.00 0.82 0.00 0.00 0.00 0.00 175.76 176.58 4trx h THR 30 N 5.28 1.70 -0.52 0.00 1.03 -1.94 -3.33 112.91 115.12 4trx h THR 30 Ca -0.34 -2.38 0.08 0.00 -0.01 0.00 0.00 66.41 63.75 4trx h THR 30 Cb 1.18 3.31 -0.06 0.00 -1.07 0.00 0.00 68.15 71.50 4trx h THR 30 CO 0.62 0.64 0.17 4.11 -0.01 0.00 0.00 175.52 181.04 4trx h TRP 31 N -0.78 0.29 -3.46 0.00 5.08 -2.01 -3.43 115.95 111.64 4trx h TRP 31 Ca -0.04 0.03 -0.55 0.00 1.08 0.00 0.00 58.89 59.41 4trx h TRP 31 Cb 1.19 -0.05 0.20 0.00 -3.00 0.00 0.00 29.16 27.50 4trx h TRP 31 CO 0.25 0.07 -0.34 0.00 -1.28 0.00 0.00 178.44 177.14 4trx n GLY 33 N 1.40 -0.66 0.00 0.00 0.00 -1.26 -3.84 105.19 100.83 4trx n GLY 33 Ca 0.09 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 -3.43 0.00 -0.09 1.61 -0.02 -1.26 -0.11 135.00 131.69 4trx n PRO 34 Ca -0.05 0.22 -0.13 0.00 -2.02 0.00 0.00 63.50 61.53 4trx n PRO 34 Cb 0.18 -1.66 -0.05 0.00 -0.02 0.00 0.00 33.50 31.94 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 -1.00 0.00 -0.96 0.00 3.64 -1.35 -3.02 116.57 113.87 4trx h LYS 36 Ca -0.17 0.00 0.29 0.00 -1.27 0.00 0.00 60.65 59.50 4trx h LYS 36 Cb 0.91 0.00 -0.15 0.00 -0.41 0.00 0.00 32.23 32.59 4trx h LYS 36 CO -0.10 0.14 0.46 1.98 -2.27 0.00 0.00 179.45 179.66 4trx h MET 37 N 0.00 0.29 -2.04 1.90 4.05 -0.70 0.54 114.93 118.97 4trx h MET 37 Ca -0.00 -0.02 -0.09 0.00 -0.28 0.00 0.00 59.70 59.31 4trx h MET 37 Cb 0.63 -0.07 -0.03 0.00 -0.80 0.00 0.00 31.60 31.33 4trx h MET 37 CO 0.02 0.19 -0.16 -0.89 0.23 0.00 0.00 176.91 176.30 4trx n ILE 38 N -5.10 2.30 0.02 1.77 5.41 -1.14 -4.18 119.36 118.44 4trx n ILE 38 Ca 0.28 -0.92 -0.22 0.00 1.00 0.00 0.00 62.75 62.89 4trx n ILE 38 Cb 0.87 -1.71 -0.14 0.00 -0.71 0.00 0.00 39.64 37.95 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 2.23 0.28 0.00 0.38 3.64 -0.16 -3.25 116.57 119.69 4trx h LYS 39 Ca 0.09 -0.48 0.00 0.00 -1.27 0.00 0.00 60.65 58.99 4trx h LYS 39 Cb 1.16 0.18 0.00 0.00 -0.41 0.00 0.00 32.23 33.16 4trx h LYS 39 CO 0.12 1.23 0.00 -0.35 -2.27 0.00 0.00 179.45 178.18 4trx n PRO 40 N -3.87 0.23 -0.08 1.90 -0.05 -1.26 0.30 135.00 132.17 4trx n PRO 40 Ca -0.24 0.00 -0.15 0.00 -0.05 0.00 0.00 63.50 63.05 4trx n PRO 40 Cb 0.93 -1.30 -0.05 0.00 -0.05 0.00 0.00 33.50 33.03 4trx n PRO 40 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 175.50 176.64 4trx n PHE 41 N -0.80 0.00 0.05 0.54 3.72 -1.24 -3.94 117.46 115.78 4trx n PHE 41 Ca 0.03 0.00 -0.04 0.00 -0.05 0.00 0.00 57.45 57.39 4trx n PHE 41 Cb 0.02 -0.58 -0.09 0.00 -0.94 0.00 0.00 39.48 37.88 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 -0.75 0.00 0.00 1.38 3.57 -1.53 -3.31 116.94 116.30 4trx h PHE 42 Ca -0.29 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.21 4trx h PHE 42 Cb 1.14 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.88 4trx h PHE 42 CO -0.18 0.80 -0.51 1.25 -2.23 0.00 0.00 178.31 177.44 4trx h HIS 43 N 0.00 0.00 0.00 0.41 2.76 -0.42 -3.23 115.15 114.67 4trx h HIS 43 Ca -0.12 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.05 4trx h HIS 43 Cb 1.72 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.68 4trx h HIS 43 CO 0.00 0.00 0.00 0.45 -1.30 0.00 0.00 177.93 177.08 4trx n SER 44 N -2.89 0.00 -0.02 3.26 2.88 -1.22 -2.73 113.62 112.91 4trx n SER 44 Ca 0.02 0.14 0.14 0.00 -1.33 0.00 0.00 58.87 57.84 4trx n SER 44 Cb 0.54 -0.37 0.57 0.00 -0.75 0.00 0.00 64.21 64.20 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 -1.37 0.17 0.27 2.46 4.77 -1.22 -3.37 117.00 118.71 4trx n LEU 45 Ca 0.10 0.29 0.16 0.00 -0.03 0.00 0.00 56.01 56.53 4trx n LEU 45 Cb 0.25 -0.37 0.68 0.00 -2.33 0.00 0.00 43.42 41.65 4trx n LEU 45 CO 0.22 0.04 0.96 -1.28 -1.33 0.00 0.00 177.39 176.00 4trx h SER 46 N 0.09 0.00 0.00 -1.43 0.87 -1.73 -2.36 113.55 108.99 4trx h SER 46 Ca 0.00 0.00 -0.35 0.00 -1.23 0.00 0.00 61.79 60.21 4trx h SER 46 Cb 0.44 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 62.35 4trx h SER 46 CO 0.00 0.06 -1.93 -0.62 -0.53 0.00 0.00 176.83 173.82 4trx n GLU 47 N -3.21 0.58 0.35 2.24 1.02 -1.22 -4.52 120.64 115.89 4trx n GLU 47 Ca -0.00 0.41 -0.15 0.00 -0.02 0.00 0.00 57.16 57.40 4trx n GLU 47 Cb 0.31 -1.62 -0.07 0.00 -0.02 0.00 0.00 31.44 30.04 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 -0.95 -0.91 -5.23 3.49 1.63 -1.65 -3.36 116.57 109.60 4trx h LYS 48 Ca -0.53 0.06 -0.65 0.00 -0.85 0.00 0.00 60.65 58.68 4trx h LYS 48 Cb 1.49 0.21 -0.16 0.00 -0.60 0.00 0.00 32.23 33.17 4trx h LYS 48 CO -0.30 -0.61 0.47 0.71 -3.45 0.00 0.00 179.45 176.27 4trx s TYR 49 N -5.19 2.79 -2.11 1.91 2.02 -0.89 -4.82 117.35 111.06 4trx s TYR 49 Ca -0.14 -0.72 0.26 0.00 -0.37 0.00 0.00 57.07 56.09 4trx s TYR 49 Cb 0.02 -4.23 0.57 0.00 -0.40 0.00 0.00 41.96 37.92 4trx s TYR 49 CO 0.45 -1.55 1.46 -1.13 -1.57 0.00 0.00 175.55 173.20 4trx n SER 50 N 7.28 1.58 -0.00 2.29 3.41 -1.26 -3.82 113.62 123.10 4trx n SER 50 Ca -0.03 -1.29 0.10 0.00 -0.26 0.00 0.00 58.87 57.39 4trx n SER 50 Cb 0.45 0.18 -0.12 0.00 -0.26 0.00 0.00 64.21 64.46 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 -0.11 0.97 -4.89 4.04 2.85 -1.26 -4.89 115.26 111.98 4trx n ASN 51 Ca 0.13 -0.98 -0.21 0.00 -0.11 0.00 0.00 54.58 53.41 4trx n ASN 51 Cb 0.41 1.00 -0.03 0.00 1.24 0.00 0.00 39.78 42.40 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 -2.95 4.34 0.04 3.44 1.01 -1.25 -4.70 120.40 120.33 4trx s VAL 52 Ca 0.08 -1.25 0.08 0.00 0.00 0.00 0.00 61.98 60.89 4trx s VAL 52 Cb 0.16 -3.45 -0.03 0.00 0.00 0.00 0.00 36.38 33.06 4trx s VAL 52 CO 0.85 -0.27 -0.23 -0.63 0.00 0.00 0.00 175.10 174.81 4trx s ILE 53 N -2.15 2.40 -0.05 2.22 1.01 -1.03 -3.74 121.20 119.86 4trx s ILE 53 Ca 0.37 -1.29 0.03 0.00 0.00 0.00 0.00 60.65 59.76 4trx s ILE 53 Cb -0.08 -1.96 0.01 0.00 0.01 0.00 0.00 42.46 40.44 4trx s ILE 53 CO 0.27 0.37 -0.12 -0.36 0.00 0.00 0.00 174.94 175.10 4trx s PHE 54 N -0.84 1.37 0.47 3.97 0.08 -1.26 -2.53 117.98 119.25 4trx s PHE 54 Ca 0.13 -0.44 0.07 0.00 0.12 0.00 0.00 56.93 56.81 4trx s PHE 54 Cb -0.10 -0.98 -0.00 0.00 -0.57 0.00 0.00 43.02 41.37 4trx s PHE 54 CO 0.03 -0.20 0.37 -0.51 -0.10 0.00 0.00 175.22 174.81 4trx s LEU 55 N 0.40 3.08 -0.26 -0.37 1.02 -0.38 -0.94 118.68 121.23 4trx s LEU 55 Ca -0.09 -0.99 -0.01 0.00 0.02 0.00 0.00 54.13 53.06 4trx s LEU 55 Cb -0.13 -1.62 0.14 0.00 0.02 0.00 0.00 46.19 44.60 4trx s LEU 55 CO 0.02 -0.83 0.36 -0.70 0.02 0.00 0.00 176.35 175.22 4trx s GLU 56 N -4.17 0.35 -0.08 1.70 2.12 0.93 -2.57 118.70 116.97 4trx s GLU 56 Ca 0.42 0.26 -0.13 0.00 0.36 0.00 0.00 54.97 55.88 4trx s GLU 56 Cb -0.02 -0.53 -0.05 0.00 0.26 0.00 0.00 34.13 33.79 4trx s GLU 56 CO 0.25 -0.83 0.31 0.08 -0.54 0.00 0.00 175.26 174.53 4trx s VAL 57 N 2.49 5.23 -0.43 3.70 1.01 -1.01 -2.66 120.40 128.74 4trx s VAL 57 Ca 0.11 0.61 -0.17 0.00 0.00 0.00 0.00 61.98 62.52 4trx s VAL 57 Cb -0.14 -3.62 0.02 0.00 0.00 0.00 0.00 36.38 32.64 4trx s VAL 57 CO -0.23 0.52 0.43 -0.62 0.00 0.00 0.00 175.10 175.20 4trx s ASP 58 N -0.50 6.19 0.00 3.32 2.15 -1.26 -2.55 116.67 124.02 4trx s ASP 58 Ca 0.19 -0.73 0.00 0.00 0.43 0.00 0.00 52.55 52.45 4trx s ASP 58 Cb -0.14 -2.22 0.00 0.00 -0.30 0.00 0.00 42.92 40.26 4trx s ASP 58 CO 0.08 -0.58 0.37 1.33 -0.17 0.00 0.00 175.17 176.20 4trx n VAL 59 N 5.41 0.19 -0.07 1.11 0.24 -0.52 -1.95 118.33 122.75 4trx n VAL 59 Ca -0.08 0.00 -0.09 0.00 -2.04 0.00 0.00 64.34 62.13 4trx n VAL 59 Cb 0.47 -0.45 -0.03 0.00 -1.47 0.00 0.00 33.84 32.36 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 0.39 1.76 -0.05 -1.34 2.03 -1.26 -4.30 116.55 113.78 4trx n ASP 60 Ca 0.00 0.29 0.08 0.00 0.52 0.00 0.00 54.79 55.68 4trx n ASP 60 Cb 0.19 -0.66 -0.08 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 -4.25 0.90 -0.32 1.67 2.03 -1.22 -4.32 116.55 111.03 4trx n ASP 61 Ca -0.15 -0.95 0.08 0.00 0.52 0.00 0.00 54.79 54.30 4trx n ASP 61 Cb 0.46 0.94 0.16 0.00 -0.72 0.00 0.00 41.12 41.95 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 0.63 0.00 -0.57 0.00 3.07 -1.75 0.39 115.11 116.88 4trx h GLN 63 Ca 0.00 0.00 -0.03 0.00 0.09 0.00 0.00 58.65 58.71 4trx h GLN 63 Cb 1.04 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 28.57 4trx h GLN 63 CO 0.06 0.00 0.21 0.38 0.09 0.00 0.00 178.83 179.58 4trx h ASP 64 N 0.00 0.76 0.24 0.06 2.03 -1.92 -0.81 116.42 116.78 4trx h ASP 64 Ca 0.00 -0.10 -0.22 0.00 -0.73 0.00 0.00 57.03 55.98 4trx h ASP 64 Cb 0.73 -0.20 0.00 0.00 -0.83 0.00 0.00 39.33 39.04 4trx h ASP 64 CO 0.00 0.70 -0.87 0.58 -1.03 0.00 0.00 179.24 178.62 4trx h VAL 65 N 0.82 1.37 -0.60 4.15 2.07 -0.59 -2.91 116.25 120.56 4trx h VAL 65 Ca 0.19 -2.29 -0.02 0.00 0.82 0.00 0.00 66.70 65.40 4trx h VAL 65 Cb 0.18 2.28 -0.03 0.00 -1.52 0.00 0.00 31.29 32.20 4trx h VAL 65 CO -0.02 0.69 0.31 0.00 0.02 0.00 0.00 177.57 178.57 4trx h ALA 66 N 0.76 0.78 0.00 1.67 0.00 -1.36 -0.90 119.26 120.22 4trx h ALA 66 Ca -0.06 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 4trx h ALA 66 Cb 1.48 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 19.03 4trx h ALA 66 CO 0.15 0.32 -0.07 1.03 0.00 0.00 0.00 179.25 180.69 4trx h SER 67 N 0.82 0.00 0.30 0.00 0.87 -1.16 -1.70 113.55 112.69 4trx h SER 67 Ca 0.21 0.00 -0.13 0.00 -1.23 0.00 0.00 61.79 60.64 4trx h SER 67 Cb 0.09 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.04 4trx h SER 67 CO -0.03 0.07 -0.53 -0.08 -0.53 0.00 0.00 176.83 175.72 4trx h GLU 68 N 0.00 0.26 -0.05 2.24 4.81 -0.97 -2.22 114.58 118.65 4trx h GLU 68 Ca -0.00 -0.16 0.00 0.00 -0.13 0.00 0.00 59.36 59.07 4trx h GLU 68 Cb 0.35 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.74 4trx h GLU 68 CO 0.01 0.73 0.00 0.00 -0.73 0.00 0.00 179.01 179.02 4trx n GLU 70 N 0.05 -7.04 -3.43 0.00 1.02 -0.84 -5.00 120.64 105.40 4trx n GLU 70 Ca 0.19 0.75 -0.27 0.00 -0.02 0.00 0.00 57.16 57.80 4trx n GLU 70 Cb 0.31 -5.56 -0.03 0.00 -0.02 0.00 0.00 31.44 26.14 4trx n GLU 70 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 4trx s VAL 71 N -3.30 5.09 -0.03 2.62 1.01 -1.08 -5.00 120.40 119.70 4trx s VAL 71 Ca 0.45 -0.14 0.19 0.00 0.00 0.00 0.00 61.98 62.47 4trx s VAL 71 Cb -0.20 -3.76 0.33 0.00 0.00 0.00 0.00 36.38 32.75 4trx s VAL 71 CO 0.66 -0.33 1.13 1.17 0.00 0.00 0.00 175.10 177.74 4trx n LYS 72 N -1.02 0.17 -3.65 2.72 3.00 -1.26 -4.75 118.16 113.38 4trx n LYS 72 Ca -0.03 -1.84 -0.03 0.00 -0.00 0.00 0.00 58.31 56.41 4trx n LYS 72 Cb 0.54 0.02 -0.07 0.00 0.00 0.00 0.00 35.03 35.52 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 0.49 2.75 0.52 0.00 -4.23 -1.26 -4.14 115.64 109.76 4trx s THR 74 Ca 0.01 -1.82 -0.17 0.00 -1.18 0.00 0.00 61.69 58.53 4trx s THR 74 Cb -0.04 -2.33 -0.08 0.00 1.34 0.00 0.00 72.50 71.39 4trx s THR 74 CO -0.12 -0.09 0.99 -2.16 -0.54 0.00 0.00 174.62 172.70 4trx s PRO 75 N -2.68 3.94 -0.03 3.99 0.04 -1.26 -4.95 135.00 134.04 4trx s PRO 75 Ca 0.22 0.97 0.01 0.00 0.04 0.00 0.00 61.00 62.24 4trx s PRO 75 Cb -0.09 -2.13 0.01 0.00 0.04 0.00 0.00 34.50 32.34 4trx s PRO 75 CO 0.12 -0.28 -0.05 0.99 0.04 0.00 0.00 177.00 177.82 4trx s THR 76 N -2.61 0.52 -0.10 1.26 2.01 0.71 -2.73 115.64 114.69 4trx s THR 76 Ca 0.59 -0.17 -0.03 0.00 0.31 0.00 0.00 61.69 62.40 4trx s THR 76 Cb -0.10 -0.51 -0.03 0.00 0.01 0.00 0.00 72.50 71.86 4trx s THR 76 CO 0.31 0.20 0.00 -0.36 -0.69 0.00 0.00 174.62 174.08 4trx s PHE 77 N 0.57 3.15 0.10 4.92 0.08 -0.95 0.66 117.98 126.52 4trx s PHE 77 Ca -0.07 0.12 0.05 0.00 0.12 0.00 0.00 56.93 57.15 4trx s PHE 77 Cb -0.11 -1.83 -0.03 0.00 -0.57 0.00 0.00 43.02 40.47 4trx s PHE 77 CO 0.00 0.38 -0.13 -0.65 -0.10 0.00 0.00 175.22 174.72 4trx s GLN 78 N -0.62 0.91 -0.11 0.44 -0.21 -0.68 -1.96 119.66 117.43 4trx s GLN 78 Ca 0.10 -1.13 0.03 0.00 0.02 0.00 0.00 55.36 54.38 4trx s GLN 78 Cb -0.12 -0.79 -0.00 0.00 1.00 0.00 0.00 33.01 33.11 4trx s GLN 78 CO 0.02 0.15 -0.22 -0.06 -2.12 0.00 0.00 175.29 173.07 4trx s PHE 79 N -1.94 2.62 0.07 0.91 0.40 0.14 -0.73 117.98 119.45 4trx s PHE 79 Ca 0.05 -1.01 0.07 0.00 -0.60 0.00 0.00 56.93 55.43 4trx s PHE 79 Cb -0.06 -1.75 -0.03 0.00 0.51 0.00 0.00 43.02 41.69 4trx s PHE 79 CO 0.02 -0.41 -0.18 -0.06 0.70 0.00 0.00 175.22 175.29 4trx s PHE 80 N 0.41 1.56 -0.04 0.36 0.08 0.71 -1.79 117.98 119.28 4trx s PHE 80 Ca -0.16 -0.40 -0.00 0.00 0.12 0.00 0.00 56.93 56.49 4trx s PHE 80 Cb -0.17 -0.89 0.03 0.00 -0.57 0.00 0.00 43.02 41.41 4trx s PHE 80 CO 0.07 0.11 0.01 0.21 -0.10 0.00 0.00 175.22 175.52 4trx s LYS 81 N -1.53 0.30 -0.35 0.44 2.47 0.10 -2.05 119.74 119.12 4trx s LYS 81 Ca 0.04 0.12 0.00 0.00 -1.56 0.00 0.00 55.97 54.57 4trx s LYS 81 Cb -0.09 -0.55 0.00 0.00 -1.46 0.00 0.00 37.83 35.72 4trx s LYS 81 CO 0.03 -0.18 0.00 1.17 0.16 0.00 0.00 175.35 176.52 4trx n LYS 82 N 4.42 -1.82 -0.23 4.03 4.81 -1.26 0.99 118.16 129.10 4trx n LYS 82 Ca -0.21 0.42 0.00 0.00 -0.87 0.00 0.00 58.31 57.65 4trx n LYS 82 Cb 0.50 -4.27 0.00 0.00 0.02 0.00 0.00 35.03 31.28 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 0.39 1.44 2.90 3.14 0.00 -1.26 -5.02 105.19 106.77 4trx n GLY 83 Ca -0.03 -0.14 -0.21 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.00 0.91 0.43 1.61 -0.21 0.28 -5.12 119.66 116.56 4trx s GLN 84 Ca 0.00 -0.12 -0.25 0.00 0.02 0.00 0.00 55.36 55.01 4trx s GLN 84 Cb 0.00 -0.92 -0.08 0.00 1.00 0.00 0.00 33.01 33.01 4trx s GLN 84 CO 0.00 -0.09 1.30 0.21 -2.12 0.00 0.00 175.29 174.59 4trx s LYS 85 N 0.99 3.82 0.00 2.91 2.20 -1.26 0.01 119.74 128.41 4trx s LYS 85 Ca -0.10 2.14 0.00 0.00 -0.36 0.00 0.00 55.97 57.66 4trx s LYS 85 Cb -0.14 -2.65 0.00 0.00 -1.51 0.00 0.00 37.83 33.53 4trx s LYS 85 CO -0.00 -0.61 0.00 1.33 -0.36 0.00 0.00 175.35 175.71 4trx n VAL 86 N -0.11 0.00 -3.82 4.02 0.24 -0.74 -4.87 118.33 113.06 4trx n VAL 86 Ca 0.05 0.00 -0.12 0.00 -2.04 0.00 0.00 64.34 62.23 4trx n VAL 86 Cb 0.44 -0.07 -0.10 0.00 -1.47 0.00 0.00 33.84 32.64 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 -1.02 -0.06 -0.26 7.63 0.00 -1.23 -5.02 107.32 107.35 4trx s GLY 87 Ca 0.00 0.18 -0.11 0.00 0.00 0.00 0.00 44.72 44.79 4trx s GLY 87 CO 0.00 0.03 0.60 1.85 0.00 0.00 0.00 173.10 175.58 4trx s GLU 88 N -1.05 0.55 -0.11 2.90 2.12 -1.26 0.26 118.70 122.11 4trx s GLU 88 Ca -0.11 1.26 -0.08 0.00 0.36 0.00 0.00 54.97 56.40 4trx s GLU 88 Cb -0.06 0.50 0.04 0.00 0.26 0.00 0.00 34.13 34.87 4trx s GLU 88 CO 0.02 -0.19 0.28 -0.59 -0.54 0.00 0.00 175.26 174.24 4trx s PHE 89 N 2.36 -0.36 0.45 5.30 -0.12 -0.83 -5.03 117.98 119.76 4trx s PHE 89 Ca -0.07 0.84 0.07 0.00 -0.05 0.00 0.00 56.93 57.73 4trx s PHE 89 Cb -0.10 0.10 -0.01 0.00 -0.63 0.00 0.00 43.02 42.39 4trx s PHE 89 CO -0.18 -0.21 0.38 -1.54 -0.05 0.00 0.00 175.22 173.62 4trx s SER 90 N 0.83 4.88 0.00 1.98 1.04 -1.26 -2.23 113.70 118.94 4trx s SER 90 Ca -0.06 -0.91 0.00 0.00 0.48 0.00 0.00 55.95 55.47 4trx s SER 90 Cb -0.07 -0.29 0.00 0.00 0.10 0.00 0.00 66.02 65.76 4trx s SER 90 CO -0.06 -0.78 0.00 0.61 0.98 0.00 0.00 173.24 174.00 4trx n GLY 91 N -1.59 3.59 1.27 7.32 0.00 -1.11 -4.82 105.19 109.85 4trx n GLY 91 Ca 0.02 -1.58 0.00 0.00 0.00 0.00 0.00 46.02 44.46 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 -0.60 2.43 -1.93 4.61 0.00 -1.26 -4.82 120.51 118.94 4trx n ALA 92 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.04 4trx n ALA 92 Cb 0.00 -1.16 -0.06 0.00 0.00 0.00 0.00 19.45 18.23 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 1.38 7.48 -0.05 0.00 3.04 -1.26 -4.98 114.94 120.55 4trx s ASN 93 Ca 0.00 1.75 -0.08 0.00 0.04 0.00 0.00 52.86 54.57 4trx s ASN 93 Cb 0.00 -2.54 -0.03 0.00 -1.54 0.00 0.00 41.25 37.14 4trx s ASN 93 CO 0.00 0.18 -0.16 0.29 -3.04 0.00 0.00 177.10 174.36 4trx n LYS 94 N 1.64 0.25 0.00 0.43 4.01 -1.26 -4.51 118.16 118.72 4trx n LYS 94 Ca -0.04 0.10 0.00 0.00 -0.51 0.00 0.00 58.31 57.86 4trx n LYS 94 Cb 0.48 -0.94 0.00 0.00 -0.51 0.00 0.00 35.03 34.06 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 -3.88 0.00 -0.00 1.97 4.71 -1.26 -0.55 120.64 121.63 4trx n GLU 95 Ca -0.10 0.28 -0.18 0.00 -0.01 0.00 0.00 57.16 57.15 4trx n GLU 95 Cb 0.32 -1.71 -0.14 0.00 -1.01 0.00 0.00 31.44 28.90 4trx n GLU 95 CO 0.00 0.00 0.00 -0.22 0.09 0.00 0.00 177.13 177.00 4trx h LYS 96 N 0.00 0.17 -0.27 3.49 3.64 -1.99 -3.34 116.57 118.27 4trx h LYS 96 Ca 0.00 -0.29 0.04 0.00 -1.27 0.00 0.00 60.65 59.12 4trx h LYS 96 Cb 0.42 0.11 -0.07 0.00 -0.41 0.00 0.00 32.23 32.28 4trx h LYS 96 CO 0.00 1.14 -0.49 -0.07 -2.27 0.00 0.00 179.45 177.76 4trx h LEU 97 N -0.63 -1.60 -0.01 5.20 3.38 -1.05 0.18 115.31 120.77 4trx h LEU 97 Ca -0.09 0.20 0.00 0.00 0.09 0.00 0.00 57.88 58.08 4trx h LEU 97 Cb 1.38 0.65 -0.00 0.00 0.09 0.00 0.00 40.66 42.78 4trx h LEU 97 CO 0.08 -0.38 -0.00 -0.08 0.09 0.00 0.00 178.44 178.15 4trx h GLU 98 N -0.41 -0.00 -0.68 1.13 4.81 -1.73 0.52 114.58 118.22 4trx h GLU 98 Ca 0.05 0.00 0.13 0.00 -0.13 0.00 0.00 59.36 59.41 4trx h GLU 98 Cb 0.55 0.00 -0.09 0.00 0.63 0.00 0.00 28.75 29.84 4trx h GLU 98 CO -0.48 -0.00 0.21 0.00 -0.73 0.00 0.00 179.01 178.02 4trx h ALA 99 N -1.08 0.89 -0.84 2.92 0.00 -1.63 0.11 119.26 119.63 4trx h ALA 99 Ca 0.00 0.13 0.07 0.00 0.00 0.00 0.00 54.91 55.10 4trx h ALA 99 Cb 0.00 0.14 -0.05 0.00 0.00 0.00 0.00 17.79 17.88 4trx h ALA 99 CO -0.01 -0.26 0.55 1.15 0.00 0.00 0.00 179.25 180.68 4trx h THR 100 N 0.35 1.04 -0.66 0.00 2.02 0.10 -0.38 112.91 115.39 4trx h THR 100 Ca 0.37 -0.32 -0.05 0.00 0.77 0.00 0.00 66.41 67.19 4trx h THR 100 Cb 0.56 0.04 -0.03 0.00 -1.74 0.00 0.00 68.15 66.98 4trx h THR 100 CO -0.41 0.17 0.23 0.40 0.37 0.00 0.00 175.52 176.28 4trx h ILE 101 N 0.92 1.25 0.00 3.11 5.03 0.26 0.15 117.51 128.22 4trx h ILE 101 Ca 0.36 -0.81 0.00 0.00 -0.12 0.00 0.00 64.86 64.30 4trx h ILE 101 Cb 0.24 0.53 0.00 0.00 -3.03 0.00 0.00 36.82 34.56 4trx h ILE 101 CO -0.13 0.32 0.00 -3.20 -0.68 0.00 0.00 178.15 174.45 4trx n ASN 102 N -4.37 0.29 -0.03 1.72 5.15 -0.21 0.49 115.26 118.30 4trx n ASN 102 Ca 0.05 0.62 -0.15 0.00 -0.60 0.00 0.00 54.58 54.49 4trx n ASN 102 Cb 0.20 -0.66 -0.12 0.00 -0.53 0.00 0.00 39.78 38.67 4trx n ASN 102 CO 0.00 0.00 0.00 -0.08 1.40 0.00 0.00 177.26 178.58 4trx h GLU 103 N 0.00 0.16 -0.02 1.20 4.57 -0.04 -3.34 114.58 117.12 4trx h GLU 103 Ca 0.00 -0.18 0.00 0.00 -1.18 0.00 0.00 59.36 58.00 4trx h GLU 103 Cb 0.08 0.05 0.00 0.00 -0.16 0.00 0.00 28.75 28.73 4trx h GLU 103 CO 0.00 0.92 -0.22 1.28 -1.18 0.00 0.00 179.01 179.81 4trx n LEU 104 N -4.51 2.19 0.00 1.64 4.77 -0.83 -5.13 117.00 115.13 4trx n LEU 104 Ca -0.10 -0.87 0.00 0.00 -0.03 0.00 0.00 56.01 55.02 4trx n LEU 104 Cb 0.51 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.60 4trx n LEU 104 CO 0.39 0.39 0.09 0.55 -1.33 0.00 0.00 177.39 177.48