#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1c6s n ASP 2 N 0.00 -0.29 0.00 0.00 8.00 -1.26 -4.85 116.55 118.15 1c6s n ASP 2 Ca 0.00 0.00 0.05 0.00 0.71 0.00 0.00 54.79 55.55 1c6s n ASP 2 Cb 0.00 -0.13 0.31 0.00 -0.02 0.00 0.00 41.12 41.27 1c6s n ASP 2 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1c6s n LEU 3 N 0.00 0.00 0.25 0.64 -0.00 -1.26 -1.90 117.00 114.72 1c6s n LEU 3 Ca 0.00 0.00 0.13 0.00 -0.00 0.00 0.00 56.01 56.14 1c6s n LEU 3 Cb 0.00 0.00 0.53 0.00 -0.00 0.00 0.00 43.42 43.95 1c6s n LEU 3 CO 0.00 0.00 0.89 0.00 -0.00 0.00 0.00 177.39 178.28 1c6s h ALA 4 N 2.67 1.01 0.00 1.47 0.00 -1.89 -0.64 119.26 121.88 1c6s h ALA 4 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1c6s h ALA 4 Cb 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1c6s h ALA 4 CO 0.00 0.14 0.00 0.09 0.00 0.00 0.00 179.25 179.48 1c6s n ASN 5 N -3.23 0.00 -0.04 0.00 4.13 -0.80 -2.88 115.26 112.44 1c6s n ASN 5 Ca 0.01 -0.54 -0.20 0.00 1.68 0.00 0.00 54.58 55.53 1c6s n ASN 5 Cb 0.38 -0.08 -0.13 0.00 -1.54 0.00 0.00 39.78 38.41 1c6s n ASN 5 CO 0.00 0.00 0.00 1.23 0.28 0.00 0.00 177.26 178.77 1c6s h GLY 6 N 3.75 0.13 0.62 7.41 0.00 -1.32 -3.30 103.07 110.36 1c6s h GLY 6 Ca 0.00 -0.34 0.06 0.00 0.00 0.00 0.00 47.33 47.04 1c6s h GLY 6 CO 0.00 0.30 0.19 0.00 0.00 0.00 0.00 176.54 177.03 1c6s h ALA 7 N -0.18 0.58 -0.93 3.60 0.00 -1.61 0.75 119.26 121.46 1c6s h ALA 7 Ca -0.27 0.05 0.24 0.00 0.00 0.00 0.00 54.91 54.93 1c6s h ALA 7 Cb 1.47 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 19.21 1c6s h ALA 7 CO -0.04 -0.19 0.63 1.57 0.00 0.00 0.00 179.25 181.22 1c6s h LYS 8 N 0.38 0.25 0.00 0.00 2.10 -1.69 0.18 116.57 117.80 1c6s h LYS 8 Ca 0.22 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.85 1c6s h LYS 8 Cb 0.20 -0.06 0.00 0.00 -0.90 0.00 0.00 32.23 31.47 1c6s h LYS 8 CO -0.20 0.17 -1.30 0.28 -2.00 0.00 0.00 179.45 176.39 1c6s n VAL 9 N -4.44 0.12 0.05 0.07 0.31 0.49 -4.22 118.33 110.71 1c6s n VAL 9 Ca 0.20 -0.29 -0.04 0.00 -0.01 0.00 0.00 64.34 64.20 1c6s n VAL 9 Cb 0.83 0.26 -0.09 0.00 -0.91 0.00 0.00 33.84 33.93 1c6s n VAL 9 CO 0.00 0.00 0.00 0.15 -1.32 0.00 0.00 176.83 175.66 1c6s h PHE 10 N 0.00 0.00 -0.22 3.52 3.04 0.33 -2.77 116.94 120.84 1c6s h PHE 10 Ca 0.00 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.95 1c6s h PHE 10 Cb 0.78 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.29 1c6s h PHE 10 CO 0.00 0.80 0.00 -1.13 -2.02 0.00 0.00 178.31 175.96 1c6s n SER 11 N -3.15 1.97 0.00 0.41 3.41 -0.35 -0.88 113.62 115.03 1c6s n SER 11 Ca -0.06 -2.16 0.00 0.00 -0.26 0.00 0.00 58.87 56.39 1c6s n SER 11 Cb 0.90 -0.37 0.00 0.00 -0.26 0.00 0.00 64.21 64.49 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 0.55 0.37 2.00 5.00 0.00 -1.22 -4.82 105.19 107.06 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 -0.03 0.09 1.61 3.02 -1.05 -4.87 115.26 114.02 1c6s n ASN 13 Ca 0.00 0.02 -0.08 0.00 -0.03 0.00 0.00 54.58 54.49 1c6s n ASN 13 Cb 0.30 0.12 -0.03 0.00 -0.61 0.00 0.00 39.78 39.56 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 0.97 1.79 -0.51 0.00 0.00 -1.33 1.65 119.26 121.84 1c6s h ALA 15 Ca -0.04 0.18 0.06 0.00 0.00 0.00 0.00 54.91 55.11 1c6s h ALA 15 Cb 1.58 0.15 -0.05 0.00 0.00 0.00 0.00 17.79 19.47 1c6s h ALA 15 CO 0.14 -0.48 0.20 0.00 0.00 0.00 0.00 179.25 179.11 1c6s h ALA 16 N 1.81 0.63 -0.18 0.00 0.00 -1.86 -2.78 119.26 116.89 1c6s h ALA 16 Ca 0.68 0.05 -0.08 0.00 0.00 0.00 0.00 54.91 55.56 1c6s h ALA 16 Cb 1.46 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 19.22 1c6s h ALA 16 CO -0.59 -0.18 -0.21 0.00 0.00 0.00 0.00 179.25 178.27 1c6s n HIS 18 N -1.11 -0.89 -1.87 0.00 -0.00 0.53 -3.04 115.22 108.84 1c6s n HIS 18 Ca 0.25 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.97 1c6s n HIS 18 Cb 0.85 0.18 0.00 0.00 -0.00 0.00 0.00 29.99 31.02 1c6s n HIS 18 CO 0.00 0.00 0.00 -0.12 -0.00 0.00 0.00 176.34 176.22 1c6s n MET 19 N -1.54 -4.19 -4.20 -0.41 1.56 -1.07 -1.92 117.12 105.34 1c6s n MET 19 Ca 0.00 3.01 -0.33 0.00 -0.27 0.00 0.00 57.70 60.11 1c6s n MET 19 Cb 0.00 -3.42 -0.05 0.00 2.15 0.00 0.00 33.22 31.90 1c6s n MET 19 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 1c6s n GLY 20 N 0.83 -0.30 3.53 -5.12 0.00 -1.26 -1.51 105.19 101.36 1c6s n GLY 20 Ca 0.00 0.14 -0.18 0.00 0.00 0.00 0.00 46.02 45.98 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 -1.78 -1.23 2.81 -0.02 0.00 -1.26 -4.83 105.19 98.88 1c6s n GLY 21 Ca -0.12 0.53 -0.12 0.00 0.00 0.00 0.00 46.02 46.31 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 -3.08 -0.36 0.97 -0.02 0.00 -0.57 -3.90 107.32 100.38 1c6s s GLY 22 Ca 0.08 -0.83 -0.12 0.00 0.00 0.00 0.00 44.72 43.85 1c6s s GLY 22 CO 0.84 3.03 0.65 -2.01 0.00 0.00 0.00 173.10 175.61 1c6s n ASN 23 N 3.83 -1.31 0.04 1.64 2.85 -1.26 -3.41 115.26 117.64 1c6s n ASN 23 Ca 0.15 0.28 0.00 0.00 -0.11 0.00 0.00 54.58 54.91 1c6s n ASN 23 Cb 0.50 -1.28 0.00 0.00 1.24 0.00 0.00 39.78 40.24 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 -3.98 0.06 -0.12 3.44 0.24 -1.17 -4.80 118.33 112.00 1c6s n VAL 24 Ca 0.08 0.02 -0.12 0.00 -2.04 0.00 0.00 64.34 62.28 1c6s n VAL 24 Cb 0.54 -0.68 -0.09 0.00 -1.47 0.00 0.00 33.84 32.14 1c6s n VAL 24 CO 0.00 0.00 0.00 0.58 -2.14 0.00 0.00 176.83 175.27 1c6s h VAL 25 N 0.00 0.00 -0.77 3.34 2.07 -1.93 -3.40 116.25 115.56 1c6s h VAL 25 Ca 0.00 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 1c6s h VAL 25 Cb 0.13 0.00 0.01 0.00 -1.52 0.00 0.00 31.29 29.91 1c6s h VAL 25 CO 0.00 0.00 -0.01 1.15 0.02 0.00 0.00 177.57 178.73 1c6s n MET 26 N -5.02 -0.80 0.00 1.57 0.00 -1.26 -4.96 117.12 106.64 1c6s n MET 26 Ca -0.03 -0.06 0.00 0.00 0.00 0.00 0.00 57.70 57.61 1c6s n MET 26 Cb 0.30 -0.10 0.00 0.00 0.00 0.00 0.00 33.22 33.42 1c6s n MET 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1c6s n ALA 27 N -2.19 1.31 0.00 3.17 0.00 -1.26 -4.89 120.51 116.65 1c6s n ALA 27 Ca -0.01 -0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.11 1c6s n ALA 27 Cb 0.02 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.47 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 -0.03 0.00 -4.56 0.00 2.04 -1.26 -5.05 115.26 106.40 1c6s n ASN 28 Ca 0.00 0.00 -0.40 0.00 -0.44 0.00 0.00 54.58 53.74 1c6s n ASN 28 Cb 0.15 0.00 -0.03 0.00 -2.53 0.00 0.00 39.78 37.37 1c6s n ASN 28 CO 0.00 0.00 0.00 -0.54 -0.44 0.00 0.00 177.26 176.28 1c6s s LYS 29 N -1.00 3.04 0.00 -3.83 1.02 -1.26 -4.70 119.74 113.01 1c6s s LYS 29 Ca 0.00 0.19 0.00 0.00 0.02 0.00 0.00 55.97 56.18 1c6s s LYS 29 Cb 0.00 -4.23 0.00 0.00 -0.52 0.00 0.00 37.83 33.08 1c6s s LYS 29 CO 0.00 -2.29 0.00 -2.37 -0.92 0.00 0.00 175.35 169.77 1c6s n THR 30 N 6.75 0.00 0.07 2.17 5.66 -1.26 -4.35 114.28 123.32 1c6s n THR 30 Ca 0.11 0.00 0.01 0.00 -3.05 0.00 0.00 64.05 61.11 1c6s n THR 30 Cb 0.50 0.00 -0.01 0.00 -1.55 0.00 0.00 70.33 69.27 1c6s n THR 30 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 1c6s n LEU 31 N 0.00 0.07 0.00 1.09 7.99 -1.25 -4.52 117.00 120.38 1c6s n LEU 31 Ca 0.00 -0.44 0.00 0.00 -0.01 0.00 0.00 56.01 55.56 1c6s n LEU 31 Cb 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.31 1c6s n LEU 31 CO 0.00 0.02 0.08 0.29 -1.51 0.00 0.00 177.39 176.27 1c6s n LYS 32 N -1.10 0.00 0.00 3.23 5.02 -1.26 -4.73 118.16 119.32 1c6s n LYS 32 Ca 0.00 0.08 0.00 0.00 -2.02 0.00 0.00 58.31 56.37 1c6s n LYS 32 Cb 0.03 -0.65 0.00 0.00 -0.02 0.00 0.00 35.03 34.38 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 -0.23 0.00 0.04 1.97 2.85 -1.26 -4.58 118.16 116.95 1c6s n LYS 33 Ca 0.00 0.00 0.21 0.00 -1.05 0.00 0.00 58.31 57.47 1c6s n LYS 33 Cb 0.00 0.00 0.73 0.00 -0.65 0.00 0.00 35.03 35.11 1c6s n LYS 33 CO 0.00 0.00 0.00 1.05 -0.05 0.00 0.00 177.40 178.40 1c6s h GLU 34 N 0.00 0.00 0.00 -1.58 4.11 -1.97 -0.14 114.58 115.00 1c6s h GLU 34 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1c6s h GLU 34 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1c6s h GLU 34 CO 0.00 0.00 -0.18 0.00 0.07 0.00 0.00 179.01 178.90 1c6s n ALA 35 N -2.45 1.18 -0.22 1.06 0.00 -1.26 -4.39 120.51 114.43 1c6s n ALA 35 Ca 0.09 -0.26 0.13 0.00 0.00 0.00 0.00 53.44 53.40 1c6s n ALA 35 Cb 0.66 0.03 0.43 0.00 0.00 0.00 0.00 19.45 20.56 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 -0.18 0.54 -1.02 0.00 -0.00 -1.80 -0.44 115.31 112.42 1c6s h LEU 36 Ca 0.00 0.03 -0.10 0.00 -0.00 0.00 0.00 57.88 57.81 1c6s h LEU 36 Cb 0.18 -0.08 -0.01 0.00 -0.00 0.00 0.00 40.66 40.74 1c6s h LEU 36 CO 0.00 0.28 -0.46 -0.08 -0.00 0.00 0.00 178.44 178.19 1c6s h GLU 37 N 0.58 0.08 0.04 0.17 4.81 -1.29 2.32 114.58 121.29 1c6s h GLU 37 Ca 0.41 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.60 1c6s h GLU 37 Cb 0.75 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.13 1c6s h GLU 37 CO -0.16 0.52 -0.02 1.96 -0.73 0.00 0.00 179.01 180.58 1c6s h GLN 38 N 0.06 -0.05 0.00 1.92 1.08 -1.19 -3.18 115.11 113.75 1c6s h GLN 38 Ca 0.00 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.20 1c6s h GLN 38 Cb 0.83 0.01 -0.00 0.00 -0.05 0.00 0.00 27.48 28.27 1c6s h GLN 38 CO 0.06 -0.03 -1.41 1.97 -0.95 0.00 0.00 178.83 178.47 1c6s n PHE 39 N -3.55 0.59 0.19 2.96 1.16 -0.74 -4.16 117.46 113.91 1c6s n PHE 39 Ca -0.01 0.17 0.12 0.00 -1.87 0.00 0.00 57.45 55.86 1c6s n PHE 39 Cb 0.02 -0.79 0.03 0.00 -1.61 0.00 0.00 39.48 37.14 1c6s n PHE 39 CO 0.00 0.00 0.00 0.78 -1.87 0.00 0.00 176.76 175.67 1c6s h GLY 40 N 3.99 0.00 -6.09 4.97 0.00 0.14 -3.49 103.07 102.60 1c6s h GLY 40 Ca -0.01 0.00 -0.26 0.00 0.00 0.00 0.00 47.33 47.07 1c6s h GLY 40 CO 0.00 0.00 -0.63 1.03 0.00 0.00 0.00 176.54 176.95 1c6s n MET 41 N -2.60 -1.53 0.00 4.80 2.81 0.68 -4.81 117.12 116.48 1c6s n MET 41 Ca 0.01 1.18 0.10 0.00 -1.81 0.00 0.00 57.70 57.18 1c6s n MET 41 Cb 0.53 -3.88 -0.03 0.00 -0.71 0.00 0.00 33.22 29.13 1c6s n MET 41 CO 0.00 0.00 0.00 2.48 1.51 0.00 0.00 175.97 179.96 1c6s n TYR 42 N -1.99 0.00 -0.63 2.03 4.11 -1.10 -2.93 117.16 116.66 1c6s n TYR 42 Ca -0.15 0.00 -0.23 0.00 -0.00 0.00 0.00 57.90 57.52 1c6s n TYR 42 Cb 0.60 0.00 0.13 0.00 -0.00 0.00 0.00 39.34 40.08 1c6s n TYR 42 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.86 175.73 1c6s n SER 43 N -0.40 -2.78 0.00 9.48 3.41 -1.26 -2.21 113.62 119.86 1c6s n SER 43 Ca 0.07 -0.25 0.00 0.00 -0.26 0.00 0.00 58.87 58.43 1c6s n SER 43 Cb 0.40 -0.77 0.00 0.00 -0.26 0.00 0.00 64.21 63.58 1c6s n SER 43 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1c6s n GLU 44 N -1.15 0.00 0.33 4.33 1.02 -1.26 0.39 120.64 124.29 1c6s n GLU 44 Ca 0.03 0.48 0.14 0.00 -0.02 0.00 0.00 57.16 57.79 1c6s n GLU 44 Cb 0.45 -1.07 0.76 0.00 -0.02 0.00 0.00 31.44 31.57 1c6s n GLU 44 CO 0.00 0.00 0.00 0.22 1.18 0.00 0.00 177.13 178.53 1c6s h ASP 45 N 0.00 0.00 0.00 1.62 1.82 -1.97 -0.49 116.42 117.40 1c6s h ASP 45 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1c6s h ASP 45 Cb 0.00 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.01 1c6s h ASP 45 CO 0.00 0.00 0.00 0.00 -1.61 0.00 0.00 179.24 177.63 1c6s n ALA 46 N -1.86 0.00 -0.31 -0.78 0.00 0.16 -2.97 120.51 114.75 1c6s n ALA 46 Ca -0.02 0.00 0.28 0.00 0.00 0.00 0.00 53.44 53.70 1c6s n ALA 46 Cb 0.41 0.00 0.62 0.00 0.00 0.00 0.00 19.45 20.47 1c6s n ALA 46 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 1c6s h ILE 47 N 0.00 0.48 -0.91 0.00 2.10 0.01 0.15 117.51 119.35 1c6s h ILE 47 Ca 0.00 -0.07 0.08 0.00 1.08 0.00 0.00 64.86 65.95 1c6s h ILE 47 Cb 0.00 0.25 -0.07 0.00 -1.09 0.00 0.00 36.82 35.91 1c6s h ILE 47 CO 0.00 0.04 0.56 0.40 -1.08 0.00 0.00 178.15 178.07 1c6s h ILE 48 N 0.21 1.00 0.00 2.19 2.04 -1.21 0.46 117.51 122.20 1c6s h ILE 48 Ca 0.57 -0.34 -0.11 0.00 1.00 0.00 0.00 64.86 65.98 1c6s h ILE 48 Cb 1.81 -0.06 -0.02 0.00 -0.74 0.00 0.00 36.82 37.81 1c6s h ILE 48 CO -0.17 0.18 -0.53 0.22 0.00 0.00 0.00 178.15 177.85 1c6s h TYR 49 N 0.98 0.00 -0.01 1.37 3.20 -0.59 -2.35 116.97 119.56 1c6s h TYR 49 Ca 0.41 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.28 1c6s h TYR 49 Cb 0.27 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.54 1c6s h TYR 49 CO -0.03 0.53 -0.25 0.00 -1.64 0.00 0.00 178.16 176.77 1c6s n GLN 50 N -3.29 1.20 -0.11 1.82 0.00 -0.61 -3.79 117.38 112.60 1c6s n GLN 50 Ca 0.01 -0.83 -0.25 0.00 0.00 0.00 0.00 57.00 55.93 1c6s n GLN 50 Cb 0.72 -1.48 -0.11 0.00 0.00 0.00 0.00 30.24 29.37 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 -0.17 1.55 0.26 -0.39 0.31 0.15 -0.33 118.33 119.71 1c6s n VAL 51 Ca 0.13 -0.25 0.03 0.00 -0.01 0.00 0.00 64.34 64.23 1c6s n VAL 51 Cb 0.40 -1.92 0.15 0.00 -0.91 0.00 0.00 33.84 31.57 1c6s n VAL 51 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1c6s n GLN 52 N -4.23 0.04 -0.59 5.55 6.02 -0.89 0.93 117.38 124.22 1c6s n GLN 52 Ca -0.43 0.32 -0.01 0.00 -0.01 0.00 0.00 57.00 56.88 1c6s n GLN 52 Cb 0.81 -1.50 -0.01 0.00 1.02 0.00 0.00 30.24 30.57 1c6s n GLN 52 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 1c6s n HIS 53 N -1.42 0.00 -0.33 1.08 -0.00 -1.25 -2.42 115.22 110.89 1c6s n HIS 53 Ca 0.02 -0.07 0.00 0.00 -0.00 0.00 0.00 57.72 57.67 1c6s n HIS 53 Cb 0.07 0.21 0.00 0.00 -0.00 0.00 0.00 29.99 30.27 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 0.02 3.09 0.00 -1.41 0.00 0.55 -3.99 105.19 103.45 1c6s n GLY 54 Ca -0.03 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 4.01 -1.06 -4.08 118.16 132.64 1c6s n LYS 55 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 1c6s n LYS 55 Cb 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.52 1c6s n LYS 55 CO 0.00 0.00 0.00 0.09 -1.11 0.00 0.00 177.40 176.38 1c6s n ASN 56 N 0.00 0.00 -2.35 4.39 3.02 -1.26 -0.11 115.26 118.95 1c6s n ASN 56 Ca 0.00 0.00 -0.17 0.00 -0.03 0.00 0.00 54.58 54.38 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 5.64 4.30 -2.34 5.41 0.00 -1.26 -5.05 120.51 127.22 1c6s n ALA 57 Ca 0.00 -3.58 -0.31 0.00 0.00 0.00 0.00 53.44 49.55 1c6s n ALA 57 Cb 0.00 -0.55 -0.15 0.00 0.00 0.00 0.00 19.45 18.75 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 -3.60 1.98 -0.51 0.00 0.00 0.85 -4.98 119.30 113.05 1c6s s MET 58 Ca 0.43 -1.01 -0.28 0.00 0.00 0.00 0.00 55.69 54.83 1c6s s MET 58 Cb 0.39 -2.03 0.03 0.00 0.00 0.00 0.00 34.83 33.22 1c6s s MET 58 CO -0.02 0.54 1.10 -1.25 0.00 0.00 0.00 175.02 175.39 1c6s s PRO 59 N -0.94 3.61 0.93 4.11 0.04 -1.26 -2.57 135.00 138.94 1c6s s PRO 59 Ca 0.11 0.37 -0.19 0.00 0.04 0.00 0.00 61.00 61.33 1c6s s PRO 59 Cb -0.10 -3.95 -0.15 0.00 0.04 0.00 0.00 34.50 30.34 1c6s s PRO 59 CO 0.01 -1.44 -0.98 0.00 0.04 0.00 0.00 177.00 174.63 1c6s n ALA 60 N 7.86 -5.36 -1.60 8.56 0.00 -1.26 -3.98 120.51 124.73 1c6s n ALA 60 Ca 0.10 -0.85 0.00 0.00 0.00 0.00 0.00 53.44 52.69 1c6s n ALA 60 Cb 0.49 -0.97 0.00 0.00 0.00 0.00 0.00 19.45 18.97 1c6s n ALA 60 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1c6s n PHE 61 N -2.62 0.00 0.04 0.00 3.72 0.27 -4.66 117.46 114.20 1c6s n PHE 61 Ca -0.02 0.00 0.02 0.00 -0.05 0.00 0.00 57.45 57.40 1c6s n PHE 61 Cb 0.58 0.04 0.10 0.00 -0.94 0.00 0.00 39.48 39.27 1c6s n PHE 61 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1c6s n ALA 62 N 0.00 1.02 -0.12 4.37 0.00 -1.01 -0.70 120.51 124.07 1c6s n ALA 62 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.47 1c6s n ALA 62 Cb 0.56 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 18.96 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 -1.43 -0.12 0.41 0.00 0.00 -1.26 -4.82 105.19 97.96 1c6s n GLY 63 Ca -0.00 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.34 0.29 -1.81 1.61 0.63 -0.37 -4.86 116.66 111.80 1c6s n ARG 64 Ca 0.00 0.12 -0.41 0.00 -0.92 0.00 0.00 57.85 56.64 1c6s n ARG 64 Cb 0.03 -0.98 -0.03 0.00 0.45 0.00 0.00 32.46 31.93 1c6s n ARG 64 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 1c6s s LEU 65 N -7.17 3.42 0.96 6.15 2.01 0.12 -4.91 118.68 119.26 1c6s s LEU 65 Ca -0.16 1.21 -0.24 0.00 0.01 0.00 0.00 54.13 54.96 1c6s s LEU 65 Cb 0.02 -3.10 -0.18 0.00 0.01 0.00 0.00 46.19 42.95 1c6s s LEU 65 CO 0.24 -2.17 -1.28 0.41 1.01 0.00 0.00 176.35 174.56 1c6s n THR 66 N 7.59 0.00 0.33 5.49 -1.04 -1.26 -4.08 114.28 121.32 1c6s n THR 66 Ca 0.27 -0.16 -0.18 0.00 -2.04 0.00 0.00 64.05 61.95 1c6s n THR 66 Cb 0.49 0.00 -0.09 0.00 -1.82 0.00 0.00 70.33 68.91 1c6s n THR 66 CO 0.00 0.00 0.00 -0.78 -0.64 0.00 0.00 175.07 173.65 1c6s h ASP 67 N -0.96 -1.01 0.00 8.00 1.82 -1.93 0.17 116.42 122.50 1c6s h ASP 67 Ca -0.39 0.06 0.00 0.00 -0.39 0.00 0.00 57.03 56.31 1c6s h ASP 67 Cb 1.32 0.31 0.00 0.00 0.68 0.00 0.00 39.33 41.64 1c6s h ASP 67 CO 0.21 -0.60 0.00 -0.62 -1.61 0.00 0.00 179.24 176.62 1c6s n GLU 68 N -5.52 0.29 -0.11 0.28 -0.58 -1.26 -1.77 120.64 111.97 1c6s n GLU 68 Ca -0.12 0.00 -0.18 0.00 -0.42 0.00 0.00 57.16 56.43 1c6s n GLU 68 Cb 0.41 -1.01 -0.09 0.00 -0.57 0.00 0.00 31.44 30.18 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 -0.43 0.49 0.25 3.49 3.00 0.48 -0.55 117.38 124.11 1c6s n GLN 69 Ca 0.00 0.16 0.17 0.00 -0.01 0.00 0.00 57.00 57.32 1c6s n GLN 69 Cb 0.01 -1.34 0.78 0.00 0.00 0.00 0.00 30.24 29.68 1c6s n GLN 69 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.06 177.88 1c6s h ILE 70 N -0.36 0.14 0.00 5.09 1.08 -0.44 0.85 117.51 123.85 1c6s h ILE 70 Ca -0.50 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 63.97 1c6s h ILE 70 Cb 1.60 0.65 0.00 0.00 -3.07 0.00 0.00 36.82 36.00 1c6s h ILE 70 CO -0.19 0.00 0.00 0.00 -0.69 0.00 0.00 178.15 177.27 1c6s n GLN 71 N -3.18 0.00 -0.10 2.37 3.00 -1.18 -3.90 117.38 114.39 1c6s n GLN 71 Ca 0.01 0.09 -0.07 0.00 -0.01 0.00 0.00 57.00 57.02 1c6s n GLN 71 Cb 0.47 -0.47 -0.05 0.00 0.00 0.00 0.00 30.24 30.19 1c6s n GLN 71 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.06 176.62 1c6s h ASP 72 N 0.00 -1.02 -1.05 1.08 3.32 -0.41 0.38 116.42 118.72 1c6s h ASP 72 Ca 0.00 0.14 0.30 0.00 0.02 0.00 0.00 57.03 57.49 1c6s h ASP 72 Cb 0.00 0.43 -0.04 0.00 0.22 0.00 0.00 39.33 39.93 1c6s h ASP 72 CO 0.00 -0.20 0.77 0.58 -1.72 0.00 0.00 179.24 178.67 1c6s h VAL 73 N -0.18 0.44 0.00 -1.35 2.07 0.54 2.21 116.25 119.98 1c6s h VAL 73 Ca 0.05 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.57 1c6s h VAL 73 Cb 0.30 0.46 0.00 0.00 -1.52 0.00 0.00 31.29 30.53 1c6s h VAL 73 CO -0.35 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.24 1c6s n ALA 74 N -2.72 -0.00 0.08 1.67 0.00 0.11 -2.32 120.51 117.33 1c6s n ALA 74 Ca 0.22 0.00 0.18 0.00 0.00 0.00 0.00 53.44 53.85 1c6s n ALA 74 Cb 1.13 0.00 0.53 0.00 0.00 0.00 0.00 19.45 21.11 1c6s n ALA 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1c6s h ALA 75 N -2.00 2.22 0.31 0.00 0.00 -0.57 0.43 119.26 119.66 1c6s h ALA 75 Ca 0.00 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1c6s h ALA 75 Cb 0.00 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1c6s h ALA 75 CO 0.00 -1.01 -0.15 -0.92 0.00 0.00 0.00 179.25 177.17 1c6s h TYR 76 N 0.00 -0.39 0.00 0.00 3.20 0.37 -0.72 116.97 119.42 1c6s h TYR 76 Ca 0.22 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.05 1c6s h TYR 76 Cb 1.76 0.13 -0.00 0.00 1.54 0.00 0.00 36.73 40.16 1c6s h TYR 76 CO 0.00 -0.23 -0.13 -0.24 -1.64 0.00 0.00 178.16 175.92 1c6s h VAL 77 N -0.44 0.66 0.00 1.81 3.04 0.26 0.15 116.25 121.73 1c6s h VAL 77 Ca -0.04 -0.53 0.00 0.00 -1.01 0.00 0.00 66.70 65.11 1c6s h VAL 77 Cb 0.34 1.33 0.00 0.00 -2.01 0.00 0.00 31.29 30.95 1c6s h VAL 77 CO 0.07 0.13 0.00 0.18 -1.01 0.00 0.00 177.57 176.94 1c6s n LEU 78 N -3.76 0.00 -0.13 3.16 4.77 -0.58 -2.09 117.00 118.37 1c6s n LEU 78 Ca -0.02 0.48 -0.20 0.00 -0.03 0.00 0.00 56.01 56.25 1c6s n LEU 78 Cb 0.23 -0.48 -0.12 0.00 -2.33 0.00 0.00 43.42 40.72 1c6s n LEU 78 CO 0.31 -0.04 -1.34 -0.67 -1.33 0.00 0.00 177.39 174.32 1c6s n ASP 79 N -1.48 1.98 -0.04 -1.43 2.03 0.34 -3.90 116.55 114.05 1c6s n ASP 79 Ca 0.07 -0.05 -0.13 0.00 0.52 0.00 0.00 54.79 55.20 1c6s n ASP 79 Cb 0.31 -0.49 -0.08 0.00 -0.72 0.00 0.00 41.12 40.14 1c6s n ASP 79 CO 0.00 0.00 0.00 1.56 -1.92 0.00 0.00 177.20 176.84 1c6s h GLN 80 N -0.15 0.24 0.00 -0.67 1.08 -1.12 -2.85 115.11 111.65 1c6s h GLN 80 Ca -0.59 -0.12 0.00 0.00 -1.45 0.00 0.00 58.65 56.49 1c6s h GLN 80 Cb 1.86 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 29.29 1c6s h GLN 80 CO -0.13 0.65 0.00 0.00 -0.95 0.00 0.00 178.83 178.39 1c6s h ALA 81 N 0.59 1.00 -0.28 3.87 0.00 -1.65 -1.11 119.26 121.67 1c6s h ALA 81 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1c6s h ALA 81 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1c6s h ALA 81 CO 0.02 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.27 1c6s n ALA 82 N -1.85 2.47 -2.58 0.00 0.00 -1.08 -4.43 120.51 113.03 1c6s n ALA 82 Ca 0.01 -0.54 -0.01 0.00 0.00 0.00 0.00 53.44 52.89 1c6s n ALA 82 Cb 0.22 -1.01 0.05 0.00 0.00 0.00 0.00 19.45 18.71 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 0.39 0.56 -0.71 0.00 2.85 -0.84 -5.04 118.16 115.36 1c6s n LYS 83 Ca 0.12 -0.58 0.00 0.00 -1.05 0.00 0.00 58.31 56.80 1c6s n LYS 83 Cb 0.28 0.15 0.00 0.00 -0.65 0.00 0.00 35.03 34.81 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 -0.63 0.11 3.22 2.58 0.00 -1.07 -4.80 105.19 104.59 1c6s n GLY 84 Ca -0.09 -0.42 -0.09 0.00 0.00 0.00 0.00 46.02 45.42 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 -0.30 0.02 -3.76 1.61 7.02 -0.48 -0.90 117.44 120.65 1c6s n TRP 85 Ca 0.00 -0.00 -0.24 0.00 -1.02 0.00 0.00 57.50 56.24 1c6s n TRP 85 Cb 0.06 -0.54 0.03 0.00 -2.42 0.00 0.00 31.31 28.45 1c6s n TRP 85 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1c6s n ALA 86 N 5.18 -1.84 0.00 6.99 0.00 -1.26 -4.54 120.51 125.04 1c6s n ALA 86 Ca 0.29 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.64 1c6s n ALA 86 Cb 0.35 -2.54 0.00 0.00 0.00 0.00 0.00 19.45 17.26 1c6s n ALA 86 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91