#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1c6s s ASP 2 N 0.00 5.75 0.11 0.00 2.15 -1.26 -4.97 116.67 118.44 1c6s s ASP 2 Ca 0.00 -0.12 0.19 0.00 0.43 0.00 0.00 52.55 53.05 1c6s s ASP 2 Cb 0.00 -1.55 0.79 0.00 -0.30 0.00 0.00 42.92 41.86 1c6s s ASP 2 CO 0.00 -0.00 1.59 0.18 -0.17 0.00 0.00 175.17 176.76 1c6s n LEU 3 N -0.92 0.28 0.15 -1.34 4.32 -1.26 -1.57 117.00 116.66 1c6s n LEU 3 Ca -0.08 0.57 0.12 0.00 -0.02 0.00 0.00 56.01 56.59 1c6s n LEU 3 Cb 0.56 -0.52 0.64 0.00 -1.62 0.00 0.00 43.42 42.48 1c6s n LEU 3 CO 0.44 -0.36 1.11 0.00 -1.22 0.00 0.00 177.39 177.37 1c6s h ALA 4 N 2.43 2.13 -0.12 -1.18 0.00 -1.96 0.70 119.26 121.27 1c6s h ALA 4 Ca 0.00 -0.01 -0.20 0.00 0.00 0.00 0.00 54.91 54.70 1c6s h ALA 4 Cb 0.32 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1c6s h ALA 4 CO 0.00 -0.18 -0.75 -0.91 0.00 0.00 0.00 179.25 177.41 1c6s h ASN 5 N 0.05 0.70 -0.06 0.00 -0.26 -1.69 -2.96 115.58 111.36 1c6s h ASN 5 Ca 0.10 -0.46 0.03 0.00 -0.56 0.00 0.00 56.30 55.41 1c6s h ASN 5 Cb 0.32 -0.21 -0.06 0.00 -1.06 0.00 0.00 38.32 37.31 1c6s h ASN 5 CO -0.01 1.23 -0.50 1.23 -1.06 0.00 0.00 177.43 178.32 1c6s h GLY 6 N 0.94 -0.99 0.61 2.83 0.00 0.35 0.23 103.07 107.04 1c6s h GLY 6 Ca -0.04 0.62 0.15 0.00 0.00 0.00 0.00 47.33 48.06 1c6s h GLY 6 CO 0.14 -0.22 0.53 0.00 0.00 0.00 0.00 176.54 176.99 1c6s h ALA 7 N -0.23 2.05 -0.66 3.60 0.00 -1.43 0.17 119.26 122.75 1c6s h ALA 7 Ca 0.04 0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.96 1c6s h ALA 7 Cb 0.69 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 1c6s h ALA 7 CO -0.39 -0.27 0.44 -0.22 0.00 0.00 0.00 179.25 178.81 1c6s h LYS 8 N 0.49 0.86 0.12 0.00 3.11 -0.41 -0.31 116.57 120.43 1c6s h LYS 8 Ca 0.40 -0.05 -0.29 0.00 -2.81 0.00 0.00 60.65 57.90 1c6s h LYS 8 Cb 0.84 -0.19 -0.00 0.00 -1.00 0.00 0.00 32.23 31.88 1c6s h LYS 8 CO -0.15 0.57 -1.48 0.28 -2.81 0.00 0.00 179.45 175.86 1c6s h VAL 9 N 0.88 1.00 0.00 2.00 2.07 0.26 -3.34 116.25 119.12 1c6s h VAL 9 Ca 0.25 -2.41 -0.03 0.00 0.82 0.00 0.00 66.70 65.33 1c6s h VAL 9 Cb -0.08 2.71 -0.00 0.00 -1.52 0.00 0.00 31.29 32.39 1c6s h VAL 9 CO -0.06 0.73 -0.13 0.15 0.02 0.00 0.00 177.57 178.28 1c6s h PHE 10 N -0.24 0.00 -0.20 1.57 3.04 -0.78 -0.51 116.94 119.83 1c6s h PHE 10 Ca -0.32 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.63 1c6s h PHE 10 Cb 1.82 0.00 0.00 0.00 2.56 0.00 0.00 35.95 40.33 1c6s h PHE 10 CO 0.12 0.13 0.00 -1.13 -2.02 0.00 0.00 178.31 175.41 1c6s n SER 11 N -4.04 2.37 0.00 0.41 3.41 -0.14 -1.07 113.62 114.56 1c6s n SER 11 Ca -0.02 -2.26 0.00 0.00 -0.26 0.00 0.00 58.87 56.33 1c6s n SER 11 Cb 0.22 -0.50 0.00 0.00 -0.26 0.00 0.00 64.21 63.67 1c6s n SER 11 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1c6s n GLY 12 N 0.31 -0.29 1.95 5.00 0.00 -0.28 -4.89 105.19 106.99 1c6s n GLY 12 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 1c6s n GLY 12 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1c6s n ASN 13 N 0.00 0.00 0.09 1.61 3.02 -0.70 -4.89 115.26 114.39 1c6s n ASN 13 Ca 0.00 0.00 -0.05 0.00 -0.03 0.00 0.00 54.58 54.50 1c6s n ASN 13 Cb 0.42 0.31 0.01 0.00 -0.61 0.00 0.00 39.78 39.91 1c6s n ASN 13 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1c6s h ALA 15 N 1.12 1.65 -0.36 0.00 0.00 -1.40 0.35 119.26 120.63 1c6s h ALA 15 Ca -0.02 0.24 0.02 0.00 0.00 0.00 0.00 54.91 55.15 1c6s h ALA 15 Cb 1.48 0.30 -0.03 0.00 0.00 0.00 0.00 17.79 19.54 1c6s h ALA 15 CO 0.11 -0.60 0.19 0.00 0.00 0.00 0.00 179.25 178.95 1c6s h ALA 16 N 1.87 0.45 -0.62 0.00 0.00 -1.86 -0.92 119.26 118.17 1c6s h ALA 16 Ca 0.67 0.01 -0.32 0.00 0.00 0.00 0.00 54.91 55.27 1c6s h ALA 16 Cb 1.52 -0.07 -0.19 0.00 0.00 0.00 0.00 17.79 19.05 1c6s h ALA 16 CO -0.69 -0.18 0.23 0.00 0.00 0.00 0.00 179.25 178.61 1c6s n HIS 18 N -1.09 -1.61 -2.91 0.00 8.25 0.96 -3.52 115.22 115.30 1c6s n HIS 18 Ca 0.44 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.90 1c6s n HIS 18 Cb 1.31 0.32 0.00 0.00 1.12 0.00 0.00 29.99 32.74 1c6s n HIS 18 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1c6s n MET 19 N -2.00 -1.21 -1.53 -0.41 0.00 -0.38 -3.22 117.12 108.38 1c6s n MET 19 Ca 0.00 1.15 0.00 0.00 0.00 0.00 0.00 57.70 58.85 1c6s n MET 19 Cb 0.00 -0.77 0.00 0.00 0.00 0.00 0.00 33.22 32.45 1c6s n MET 19 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1c6s n GLY 20 N 2.45 0.87 4.11 3.17 0.00 -1.26 -4.24 105.19 110.30 1c6s n GLY 20 Ca 0.00 -0.41 -0.44 0.00 0.00 0.00 0.00 46.02 45.17 1c6s n GLY 20 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1c6s n GLY 21 N -0.38 -0.71 2.91 -0.02 0.00 -1.26 -4.92 105.19 100.80 1c6s n GLY 21 Ca 0.00 0.30 -0.09 0.00 0.00 0.00 0.00 46.02 46.23 1c6s n GLY 21 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1c6s s GLY 22 N -3.68 -0.50 0.98 -0.02 0.00 -1.20 -3.99 107.32 98.92 1c6s s GLY 22 Ca 0.42 0.47 -0.12 0.00 0.00 0.00 0.00 44.72 45.48 1c6s s GLY 22 CO 0.95 2.89 0.71 -2.01 0.00 0.00 0.00 173.10 175.64 1c6s n ASN 23 N 5.36 -1.17 0.00 1.64 2.85 -1.26 -3.82 115.26 118.86 1c6s n ASN 23 Ca -0.01 0.26 0.00 0.00 -0.11 0.00 0.00 54.58 54.72 1c6s n ASN 23 Cb 0.49 -1.29 0.00 0.00 1.24 0.00 0.00 39.78 40.23 1c6s n ASN 23 CO 0.00 0.00 0.00 1.33 -2.11 0.00 0.00 177.26 176.48 1c6s n VAL 24 N -4.10 0.00 0.00 3.44 0.24 -1.23 -4.84 118.33 111.84 1c6s n VAL 24 Ca 0.08 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.38 1c6s n VAL 24 Cb 0.54 -0.74 0.00 0.00 -1.47 0.00 0.00 33.84 32.16 1c6s n VAL 24 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21 1c6s n VAL 25 N -1.71 0.00 -2.00 3.34 0.31 -1.26 -4.84 118.33 112.17 1c6s n VAL 25 Ca 0.00 0.53 -0.35 0.00 -0.01 0.00 0.00 64.34 64.51 1c6s n VAL 25 Cb 0.39 -1.50 0.03 0.00 -0.91 0.00 0.00 33.84 31.85 1c6s n VAL 25 CO 0.00 0.00 0.00 -0.04 -1.32 0.00 0.00 176.83 175.47 1c6s s MET 26 N -1.06 2.97 -0.73 5.55 -1.94 -1.26 -4.96 119.30 117.88 1c6s s MET 26 Ca 0.00 1.73 0.03 0.00 -1.71 0.00 0.00 55.69 55.74 1c6s s MET 26 Cb 0.00 -1.94 0.33 0.00 2.01 0.00 0.00 34.83 35.23 1c6s s MET 26 CO 0.00 -1.18 1.23 0.00 -0.01 0.00 0.00 175.02 175.06 1c6s n ALA 27 N -1.70 5.11 0.00 3.03 0.00 -1.26 -4.63 120.51 121.06 1c6s n ALA 27 Ca 0.13 -4.68 0.00 0.00 0.00 0.00 0.00 53.44 48.89 1c6s n ALA 27 Cb 0.50 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.74 1c6s n ALA 27 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1c6s n ASN 28 N -0.15 0.00 -4.68 0.00 0.23 -1.26 -5.11 115.26 104.30 1c6s n ASN 28 Ca 0.36 0.00 -0.42 0.00 -0.53 0.00 0.00 54.58 53.99 1c6s n ASN 28 Cb 0.35 0.01 -0.03 0.00 -2.08 0.00 0.00 39.78 38.03 1c6s n ASN 28 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 1c6s s LYS 29 N -1.42 4.36 0.22 -3.83 1.02 -1.26 -4.62 119.74 114.21 1c6s s LYS 29 Ca 0.00 1.23 0.00 0.00 0.02 0.00 0.00 55.97 57.22 1c6s s LYS 29 Cb 0.00 -3.56 -0.00 0.00 -0.52 0.00 0.00 37.83 33.75 1c6s s LYS 29 CO 0.00 -0.34 0.01 2.41 -0.92 0.00 0.00 175.35 176.51 1c6s n THR 30 N 4.67 0.00 0.60 2.17 -1.04 -1.26 -4.26 114.28 115.15 1c6s n THR 30 Ca 0.07 -1.04 0.10 0.00 -2.04 0.00 0.00 64.05 61.14 1c6s n THR 30 Cb 0.49 0.23 -0.14 0.00 -1.82 0.00 0.00 70.33 69.09 1c6s n THR 30 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1c6s n LEU 31 N 0.00 0.60 0.00 -4.42 7.99 -1.26 -4.27 117.00 115.65 1c6s n LEU 31 Ca -0.08 -0.30 0.00 0.00 -0.01 0.00 0.00 56.01 55.61 1c6s n LEU 31 Cb 0.28 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.59 1c6s n LEU 31 CO 0.15 0.15 0.00 0.29 -1.51 0.00 0.00 177.39 176.47 1c6s n LYS 32 N -1.79 0.00 0.00 3.23 5.02 -1.26 -4.70 118.16 118.65 1c6s n LYS 32 Ca 0.01 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.30 1c6s n LYS 32 Cb 0.42 -0.06 0.00 0.00 -0.02 0.00 0.00 35.03 35.37 1c6s n LYS 32 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 1c6s n LYS 33 N 0.00 0.00 -0.11 1.97 2.85 -1.26 -4.62 118.16 116.99 1c6s n LYS 33 Ca 0.00 0.00 0.26 0.00 -1.05 0.00 0.00 58.31 57.52 1c6s n LYS 33 Cb 0.00 0.00 0.72 0.00 -0.65 0.00 0.00 35.03 35.10 1c6s n LYS 33 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 177.40 178.28 1c6s h GLU 34 N 0.00 0.00 0.00 -1.58 4.39 -1.96 -0.01 114.58 115.42 1c6s h GLU 34 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1c6s h GLU 34 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 1c6s h GLU 34 CO 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 179.01 177.85 1c6s n ALA 35 N -2.63 0.63 -0.33 3.43 0.00 -1.26 -3.13 120.51 117.23 1c6s n ALA 35 Ca 0.16 -0.16 0.31 0.00 0.00 0.00 0.00 53.44 53.75 1c6s n ALA 35 Cb 0.88 0.00 0.58 0.00 0.00 0.00 0.00 19.45 20.91 1c6s n ALA 35 CO 0.00 0.00 0.00 1.37 0.00 0.00 0.00 177.50 178.87 1c6s h LEU 36 N 0.00 0.34 0.08 0.00 -0.00 -1.74 1.52 115.31 115.51 1c6s h LEU 36 Ca 0.00 0.25 -0.27 0.00 -0.00 0.00 0.00 57.88 57.86 1c6s h LEU 36 Cb 0.00 0.25 -0.02 0.00 -0.00 0.00 0.00 40.66 40.90 1c6s h LEU 36 CO 0.00 -0.40 -1.35 -0.08 -0.00 0.00 0.00 178.44 176.61 1c6s h GLU 37 N 0.04 0.16 -0.88 0.17 4.22 -1.24 0.58 114.58 117.64 1c6s h GLU 37 Ca 0.84 -0.28 0.23 0.00 0.08 0.00 0.00 59.36 60.23 1c6s h GLU 37 Cb 2.20 0.10 -0.14 0.00 0.50 0.00 0.00 28.75 31.41 1c6s h GLU 37 CO -0.74 1.04 0.25 0.37 -2.18 0.00 0.00 179.01 177.74 1c6s h GLN 38 N 0.04 0.22 0.00 1.92 5.75 0.22 -3.00 115.11 120.27 1c6s h GLN 38 Ca -0.16 -0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.32 1c6s h GLN 38 Cb 1.94 -0.05 0.00 0.00 1.07 0.00 0.00 27.48 30.44 1c6s h GLN 38 CO 0.15 0.15 0.00 1.19 -2.65 0.00 0.00 178.83 177.67 1c6s n PHE 39 N -5.21 0.00 0.00 3.99 3.72 -0.59 -5.05 117.46 114.32 1c6s n PHE 39 Ca 0.21 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.61 1c6s n PHE 39 Cb 0.68 -0.28 0.00 0.00 -0.94 0.00 0.00 39.48 38.95 1c6s n PHE 39 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1c6s n GLY 40 N 2.00 -0.52 0.00 1.37 0.00 0.00 -5.08 105.19 102.96 1c6s n GLY 40 Ca 0.00 0.57 0.00 0.00 0.00 0.00 0.00 46.02 46.59 1c6s n GLY 40 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1c6s n MET 41 N 0.00 0.00 -0.67 1.61 0.00 -0.09 -4.94 117.12 113.03 1c6s n MET 41 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 57.70 57.72 1c6s n MET 41 Cb 0.00 0.00 0.26 0.00 0.00 0.00 0.00 33.22 33.48 1c6s n MET 41 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 175.97 176.95 1c6s n TYR 42 N 0.00 1.34 -4.12 3.17 9.36 -1.25 -4.15 117.16 121.50 1c6s n TYR 42 Ca 0.00 -1.14 -0.27 0.00 3.32 0.00 0.00 57.90 59.81 1c6s n TYR 42 Cb 0.00 -0.45 -0.07 0.00 -0.63 0.00 0.00 39.34 38.20 1c6s n TYR 42 CO 0.00 0.00 0.00 -1.54 0.22 0.00 0.00 176.86 175.54 1c6s s SER 43 N -1.88 5.20 0.06 2.98 1.04 -1.26 -4.79 113.70 115.06 1c6s s SER 43 Ca 0.46 -0.21 -0.14 0.00 0.48 0.00 0.00 55.95 56.54 1c6s s SER 43 Cb 0.38 -1.27 -0.04 0.00 0.10 0.00 0.00 66.02 65.19 1c6s s SER 43 CO 0.08 0.11 1.24 -0.33 0.98 0.00 0.00 173.24 175.31 1c6s h GLU 44 N 2.78 -0.07 -0.85 4.02 5.08 -1.94 0.55 114.58 124.15 1c6s h GLU 44 Ca -0.47 0.00 0.21 0.00 -1.00 0.00 0.00 59.36 58.10 1c6s h GLU 44 Cb 1.19 0.02 -0.05 0.00 0.50 0.00 0.00 28.75 30.41 1c6s h GLU 44 CO 0.61 -0.05 0.58 0.22 -1.00 0.00 0.00 179.01 179.37 1c6s h ASP 45 N -0.07 0.24 0.00 1.42 3.58 -1.96 0.28 116.42 119.91 1c6s h ASP 45 Ca 0.05 0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.53 1c6s h ASP 45 Cb 0.21 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 41.24 1c6s h ASP 45 CO -0.34 0.10 0.00 0.00 -2.88 0.00 0.00 179.24 176.12 1c6s n ALA 46 N -2.59 -0.27 0.20 -0.78 0.00 0.18 -1.37 120.51 115.89 1c6s n ALA 46 Ca 0.18 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.71 1c6s n ALA 46 Cb 0.75 0.00 0.46 0.00 0.00 0.00 0.00 19.45 20.67 1c6s n ALA 46 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.50 179.01 1c6s n ILE 47 N -1.42 1.14 0.11 0.00 3.06 -0.62 -0.57 119.36 121.06 1c6s n ILE 47 Ca 0.00 0.57 -0.02 0.00 -2.50 0.00 0.00 62.75 60.80 1c6s n ILE 47 Cb 0.00 -1.55 0.03 0.00 0.54 0.00 0.00 39.64 38.66 1c6s n ILE 47 CO 0.00 0.00 0.00 0.40 -2.50 0.00 0.00 176.55 174.45 1c6s h ILE 48 N 0.00 1.40 0.00 9.51 2.04 -0.30 0.15 117.51 130.31 1c6s h ILE 48 Ca 0.00 -2.67 -0.06 0.00 1.00 0.00 0.00 64.86 63.13 1c6s h ILE 48 Cb 0.09 2.50 -0.01 0.00 -0.74 0.00 0.00 36.82 38.66 1c6s h ILE 48 CO 0.00 0.73 -0.76 0.22 0.00 0.00 0.00 178.15 178.34 1c6s h TYR 49 N 0.00 0.00 0.00 1.37 5.03 0.43 -2.49 116.97 121.31 1c6s h TYR 49 Ca -0.01 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.30 1c6s h TYR 49 Cb 1.44 0.00 0.00 0.00 1.55 0.00 0.00 36.73 39.72 1c6s h TYR 49 CO 0.00 0.22 -1.47 0.00 -1.32 0.00 0.00 178.16 175.59 1c6s n GLN 50 N -2.93 0.33 -0.00 1.82 0.00 -1.03 -3.77 117.38 111.80 1c6s n GLN 50 Ca -0.01 -0.09 -0.04 0.00 0.00 0.00 0.00 57.00 56.86 1c6s n GLN 50 Cb 0.64 -1.52 -0.12 0.00 0.00 0.00 0.00 30.24 29.25 1c6s n GLN 50 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.06 177.34 1c6s n VAL 51 N -1.90 1.34 1.37 -0.39 0.31 0.51 0.13 118.33 119.70 1c6s n VAL 51 Ca 0.00 -0.74 0.14 0.00 -0.01 0.00 0.00 64.34 63.73 1c6s n VAL 51 Cb 0.45 -0.81 0.53 0.00 -0.91 0.00 0.00 33.84 33.11 1c6s n VAL 51 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 1c6s n GLN 52 N -2.92 0.81 -0.62 5.55 7.27 -0.94 -2.59 117.38 123.94 1c6s n GLN 52 Ca -0.15 -0.37 -0.02 0.00 0.07 0.00 0.00 57.00 56.54 1c6s n GLN 52 Cb 0.95 -1.49 -0.02 0.00 2.41 0.00 0.00 30.24 32.09 1c6s n GLN 52 CO 0.00 0.00 0.00 0.72 0.07 0.00 0.00 177.06 177.85 1c6s n HIS 53 N -0.77 0.00 -1.82 3.69 -0.00 -1.24 -1.10 115.22 113.97 1c6s n HIS 53 Ca 0.14 -0.12 0.00 0.00 -0.00 0.00 0.00 57.72 57.74 1c6s n HIS 53 Cb 0.30 0.29 0.00 0.00 -0.00 0.00 0.00 29.99 30.58 1c6s n HIS 53 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1c6s n GLY 54 N 0.01 2.18 0.00 -1.41 0.00 0.35 -3.87 105.19 102.44 1c6s n GLY 54 Ca -0.06 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.69 1c6s n GLY 54 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1c6s n LYS 55 N 14.00 0.00 0.00 1.61 5.02 -1.10 -4.11 118.16 133.58 1c6s n LYS 55 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1c6s n LYS 55 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1c6s n LYS 55 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1c6s n ASN 56 N 0.00 0.00 -2.14 4.39 3.02 -1.26 -0.50 115.26 118.77 1c6s n ASN 56 Ca 0.00 0.00 -0.22 0.00 -0.03 0.00 0.00 54.58 54.33 1c6s n ASN 56 Cb 0.00 0.00 0.02 0.00 -0.61 0.00 0.00 39.78 39.19 1c6s n ASN 56 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1c6s n ALA 57 N 5.41 4.82 -2.34 5.41 0.00 -1.26 -5.03 120.51 127.52 1c6s n ALA 57 Ca 0.00 -3.76 -0.30 0.00 0.00 0.00 0.00 53.44 49.38 1c6s n ALA 57 Cb 0.00 -0.39 -0.15 0.00 0.00 0.00 0.00 19.45 18.91 1c6s n ALA 57 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 1c6s s MET 58 N -3.61 1.89 -0.86 0.00 0.00 0.34 -5.04 119.30 112.02 1c6s s MET 58 Ca 0.49 -1.06 -0.25 0.00 0.00 0.00 0.00 55.69 54.87 1c6s s MET 58 Cb 0.40 -2.01 0.02 0.00 0.00 0.00 0.00 34.83 33.25 1c6s s MET 58 CO 0.01 0.53 1.51 -1.25 0.00 0.00 0.00 175.02 175.82 1c6s s PRO 59 N -1.10 3.19 -0.34 4.11 0.04 -1.26 -2.71 135.00 136.94 1c6s s PRO 59 Ca 0.11 -0.50 -0.37 0.00 0.04 0.00 0.00 61.00 60.28 1c6s s PRO 59 Cb -0.10 -4.80 -0.13 0.00 0.04 0.00 0.00 34.50 29.50 1c6s s PRO 59 CO 0.01 -2.42 2.06 0.00 0.04 0.00 0.00 177.00 176.70 1c6s n ALA 60 N 10.25 0.67 -0.07 8.56 0.00 -1.25 -3.97 120.51 134.69 1c6s n ALA 60 Ca 0.22 0.10 -0.13 0.00 0.00 0.00 0.00 53.44 53.63 1c6s n ALA 60 Cb 0.50 -2.41 -0.11 0.00 0.00 0.00 0.00 19.45 17.42 1c6s n ALA 60 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 1c6s h PHE 61 N 10.59 0.00 -3.80 0.00 -1.00 -1.57 -3.44 116.94 117.72 1c6s h PHE 61 Ca -0.31 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.47 1c6s h PHE 61 Cb 1.33 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.89 1c6s h PHE 61 CO 0.91 0.94 0.00 0.00 -1.61 0.00 0.00 178.31 178.55 1c6s n ALA 62 N -2.75 -0.62 0.00 2.45 0.00 -0.26 -1.37 120.51 117.96 1c6s n ALA 62 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.32 1c6s n ALA 62 Cb 0.45 -0.39 0.00 0.00 0.00 0.00 0.00 19.45 19.51 1c6s n ALA 62 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1c6s n GLY 63 N -0.31 1.05 0.15 0.00 0.00 -1.26 -5.04 105.19 99.78 1c6s n GLY 63 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 1c6s n GLY 63 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1c6s n ARG 64 N 0.00 0.59 0.00 1.61 0.63 -0.47 -4.90 116.66 114.12 1c6s n ARG 64 Ca 0.00 0.24 0.00 0.00 -0.92 0.00 0.00 57.85 57.17 1c6s n ARG 64 Cb 0.00 -1.48 0.00 0.00 0.45 0.00 0.00 32.46 31.43 1c6s n ARG 64 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 1c6s n LEU 65 N -4.09 0.00 -0.12 6.15 7.99 -1.26 -4.96 117.00 120.70 1c6s n LEU 65 Ca -0.53 0.00 -0.24 0.00 -0.01 0.00 0.00 56.01 55.23 1c6s n LEU 65 Cb 0.90 0.00 -0.09 0.00 -0.11 0.00 0.00 43.42 44.12 1c6s n LEU 65 CO 0.06 0.00 -1.14 0.41 -1.51 0.00 0.00 177.39 175.22 1c6s n THR 66 N 0.00 1.52 0.00 -5.08 -1.04 -1.26 -5.01 114.28 103.41 1c6s n THR 66 Ca 0.00 -0.22 0.00 0.00 -2.04 0.00 0.00 64.05 61.79 1c6s n THR 66 Cb 0.00 -2.01 0.00 0.00 -1.82 0.00 0.00 70.33 66.50 1c6s n THR 66 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 1c6s n ASP 67 N -4.33 0.00 0.00 8.00 9.92 -1.26 -4.88 116.55 124.00 1c6s n ASP 67 Ca -0.43 0.00 0.06 0.00 -0.53 0.00 0.00 54.79 53.90 1c6s n ASP 67 Cb 0.77 0.00 0.36 0.00 -0.64 0.00 0.00 41.12 41.61 1c6s n ASP 67 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1c6s n GLU 68 N 0.00 0.33 -0.04 -1.24 -0.58 -1.26 -1.43 120.64 116.41 1c6s n GLU 68 Ca 0.00 0.06 -0.04 0.00 -0.42 0.00 0.00 57.16 56.76 1c6s n GLU 68 Cb 0.00 -1.50 -0.07 0.00 -0.57 0.00 0.00 31.44 29.30 1c6s n GLU 68 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 1c6s n GLN 69 N -1.10 2.49 0.13 3.49 1.13 -1.26 -0.99 117.38 121.26 1c6s n GLN 69 Ca 0.08 -0.01 0.20 0.00 -1.94 0.00 0.00 57.00 55.33 1c6s n GLN 69 Cb 0.06 -1.23 0.74 0.00 0.11 0.00 0.00 30.24 29.92 1c6s n GLN 69 CO 0.00 0.00 0.00 0.82 -1.44 0.00 0.00 177.06 176.44 1c6s h ILE 70 N 0.00 0.29 0.00 5.09 1.08 -1.60 0.33 117.51 122.71 1c6s h ILE 70 Ca -0.24 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.23 1c6s h ILE 70 Cb 1.54 0.62 0.00 0.00 -3.07 0.00 0.00 36.82 35.91 1c6s h ILE 70 CO 0.01 0.00 -0.95 0.00 -0.69 0.00 0.00 178.15 176.52 1c6s n GLN 71 N -3.55 0.50 -0.17 2.37 6.02 -1.12 -4.37 117.38 117.07 1c6s n GLN 71 Ca 0.06 0.20 -0.02 0.00 -0.01 0.00 0.00 57.00 57.23 1c6s n GLN 71 Cb 0.61 -1.38 0.07 0.00 1.02 0.00 0.00 30.24 30.56 1c6s n GLN 71 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 177.06 175.61 1c6s h ASP 72 N -0.95 -0.05 -0.50 1.08 3.32 -0.66 0.23 116.42 118.89 1c6s h ASP 72 Ca 0.00 0.10 0.14 0.00 0.02 0.00 0.00 57.03 57.30 1c6s h ASP 72 Cb 0.95 0.15 -0.02 0.00 0.22 0.00 0.00 39.33 40.63 1c6s h ASP 72 CO 0.00 -0.00 0.38 0.58 -1.72 0.00 0.00 179.24 178.48 1c6s h VAL 73 N 0.21 0.67 0.03 -1.35 2.07 -0.57 2.30 116.25 119.61 1c6s h VAL 73 Ca 0.26 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.78 1c6s h VAL 73 Cb 0.38 0.73 0.00 0.00 -1.52 0.00 0.00 31.29 30.87 1c6s h VAL 73 CO -0.37 0.00 -0.01 0.00 0.02 0.00 0.00 177.57 177.21 1c6s h ALA 74 N 1.71 -0.13 -0.35 1.67 0.00 -0.72 -1.90 119.26 119.55 1c6s h ALA 74 Ca 0.24 -0.01 0.10 0.00 0.00 0.00 0.00 54.91 55.24 1c6s h ALA 74 Cb 1.00 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 1c6s h ALA 74 CO -0.00 -0.12 0.55 0.00 0.00 0.00 0.00 179.25 179.68 1c6s h ALA 75 N -1.77 1.99 -0.27 0.00 0.00 -0.88 0.27 119.26 118.61 1c6s h ALA 75 Ca -0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1c6s h ALA 75 Cb 0.03 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1c6s h ALA 75 CO 0.01 -0.73 0.06 -0.92 0.00 0.00 0.00 179.25 177.67 1c6s h TYR 76 N 0.00 0.46 0.00 0.00 3.20 0.39 -1.93 116.97 119.09 1c6s h TYR 76 Ca 0.16 -0.06 -0.03 0.00 3.14 0.00 0.00 58.73 61.95 1c6s h TYR 76 Cb 1.27 -0.13 -0.00 0.00 1.54 0.00 0.00 36.73 39.41 1c6s h TYR 76 CO 0.00 0.52 -0.13 -0.24 -1.64 0.00 0.00 178.16 176.67 1c6s h VAL 77 N 0.26 0.43 0.00 1.81 3.04 0.39 0.32 116.25 122.49 1c6s h VAL 77 Ca 0.08 -0.70 0.00 0.00 -1.01 0.00 0.00 66.70 65.07 1c6s h VAL 77 Cb 0.30 1.50 0.00 0.00 -2.01 0.00 0.00 31.29 31.07 1c6s h VAL 77 CO 0.00 0.13 0.00 0.18 -1.01 0.00 0.00 177.57 176.87 1c6s n LEU 78 N -3.42 0.35 -0.11 3.16 4.77 -0.78 -2.17 117.00 118.80 1c6s n LEU 78 Ca -0.01 0.54 -0.13 0.00 -0.03 0.00 0.00 56.01 56.38 1c6s n LEU 78 Cb 0.30 -0.44 -0.14 0.00 -2.33 0.00 0.00 43.42 40.82 1c6s n LEU 78 CO 0.30 -0.13 -1.22 -0.67 -1.33 0.00 0.00 177.39 174.34 1c6s n ASP 79 N -1.84 1.05 0.06 -1.43 -0.08 -0.06 -3.99 116.55 110.26 1c6s n ASP 79 Ca 0.06 -0.06 -0.21 0.00 -1.51 0.00 0.00 54.79 53.07 1c6s n ASP 79 Cb 0.35 0.35 -0.12 0.00 2.34 0.00 0.00 41.12 44.04 1c6s n ASP 79 CO 0.00 0.00 0.00 1.56 0.12 0.00 0.00 177.20 178.88 1c6s h GLN 80 N 0.00 0.63 0.00 -0.67 1.08 -1.11 -3.14 115.11 111.90 1c6s h GLN 80 Ca -0.54 -0.76 -0.06 0.00 -1.45 0.00 0.00 58.65 55.84 1c6s h GLN 80 Cb 2.05 0.24 -0.01 0.00 -0.05 0.00 0.00 27.48 29.70 1c6s h GLN 80 CO -0.02 1.33 -0.29 0.00 -0.95 0.00 0.00 178.83 178.89 1c6s h ALA 81 N 0.32 1.13 -0.34 3.87 0.00 -1.67 0.32 119.26 122.90 1c6s h ALA 81 Ca -0.15 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1c6s h ALA 81 Cb 1.76 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.50 1c6s h ALA 81 CO 0.21 0.36 0.00 0.00 0.00 0.00 0.00 179.25 179.83 1c6s n ALA 82 N -2.31 2.56 -1.93 0.00 0.00 -1.20 -4.31 120.51 113.31 1c6s n ALA 82 Ca -0.01 -0.67 -0.06 0.00 0.00 0.00 0.00 53.44 52.71 1c6s n ALA 82 Cb 0.41 -0.99 -0.06 0.00 0.00 0.00 0.00 19.45 18.82 1c6s n ALA 82 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1c6s n LYS 83 N 0.50 0.00 -0.58 0.00 2.85 -0.92 -5.04 118.16 114.97 1c6s n LYS 83 Ca 0.12 -0.83 0.00 0.00 -1.05 0.00 0.00 58.31 56.55 1c6s n LYS 83 Cb 0.36 0.48 0.00 0.00 -0.65 0.00 0.00 35.03 35.22 1c6s n LYS 83 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1c6s n GLY 84 N 0.00 0.27 2.92 2.58 0.00 -0.84 -4.81 105.19 105.30 1c6s n GLY 84 Ca -0.23 -0.48 -0.17 0.00 0.00 0.00 0.00 46.02 45.14 1c6s n GLY 84 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1c6s n TRP 85 N -0.27 0.00 -0.11 1.61 7.02 0.11 -4.67 117.44 121.12 1c6s n TRP 85 Ca 0.00 0.00 0.02 0.00 -1.02 0.00 0.00 57.50 56.50 1c6s n TRP 85 Cb 0.08 -0.42 0.32 0.00 -2.42 0.00 0.00 31.31 28.87 1c6s n TRP 85 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1c6s h ALA 86 N 9.13 1.55 0.00 6.99 0.00 -1.87 -3.44 119.26 131.63 1c6s h ALA 86 Ca 0.03 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1c6s h ALA 86 Cb 0.94 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.50 1c6s h ALA 86 CO 1.33 0.40 0.00 0.41 0.00 0.00 0.00 179.25 181.39