#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 4.88 0.00 0.00 8.00 -1.26 -4.56 116.55 123.61 1c6s n ASP 2 Ca 0.00 0.00 0.09 0.00 0.71 0.00 0.00 54.79 55.59 1c6s n ASP 2 Cb 0.00 0.73 0.47 0.00 -0.02 0.00 0.00 41.12 42.29 1c6s n ASP 2 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1c6s n LEU 3 N -1.81 0.00 0.17 0.64 4.32 -1.26 -1.70 117.00 117.36 1c6s n LEU 3 Ca -0.01 0.17 0.13 0.00 -0.02 0.00 0.00 56.01 56.28 1c6s n LEU 3 Cb 0.30 -0.17 0.56 0.00 -1.62 0.00 0.00 43.42 42.50 1c6s n LEU 3 CO 0.01 -0.07 0.89 0.00 -1.22 0.00 0.00 177.39 177.00 1c6s h ALA 4 N 2.92 1.00 -0.25 -1.18 0.00 -1.95 -0.27 119.26 119.53 1c6s h ALA 4 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1c6s h ALA 4 Cb 0.09 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1c6s h ALA 4 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.34 1c6s n ASN 5 N -2.42 1.37 -0.07 0.00 5.03 -0.69 -3.60 115.26 114.88 1c6s n ASN 5 Ca 0.01 -2.01 -0.09 0.00 0.87 0.00 0.00 54.58 53.36 1c6s n ASN 5 Cb 0.22 -0.18 -0.08 0.00 -1.02 0.00 0.00 39.78 38.72 1c6s n ASN 5 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1c6s n GLY 6 N 0.88 -0.37 0.09 7.41 0.00 -0.12 -4.35 105.19 108.74 1c6s n GLY 6 Ca 0.08 -0.14 0.06 0.00 0.00 0.00 0.00 46.02 46.02 1c6s n GLY 6 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1c6s n ALA 7 N -2.78 1.02 0.01 4.61 0.00 -1.23 0.38 120.51 122.52 1c6s n ALA 7 Ca -0.25 0.11 -0.12 0.00 0.00 0.00 0.00 53.44 53.18 1c6s n ALA 7 Cb 0.84 -1.17 -0.14 0.00 0.00 0.00 0.00 19.45 18.99 1c6s n ALA 7 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 1c6s h LYS 8 N 0.00 0.09 0.00 0.00 2.10 -1.76 0.19 116.57 117.18 1c6s h LYS 8 Ca 0.00 -0.15 -0.17 0.00 -2.00 0.00 0.00 60.65 58.32 1c6s h LYS 8 Cb 0.01 0.06 -0.02 0.00 -0.90 0.00 0.00 32.23 31.37 1c6s h LYS 8 CO 0.00 0.81 -0.83 0.28 -2.00 0.00 0.00 179.45 177.71 1c6s h VAL 9 N 0.02 1.55 0.00 0.07 2.07 -0.27 -2.88 116.25 116.82 1c6s h VAL 9 Ca -0.25 -2.87 -0.37 0.00 0.82 0.00 0.00 66.70 64.03 1c6s h VAL 9 Cb 1.98 2.57 -0.07 0.00 -1.52 0.00 0.00 31.29 34.25 1c6s h VAL 9 CO 0.11 0.81 -2.41 0.33 0.02 0.00 0.00 177.57 176.43 1c6s n PHE 10 N -3.49 0.00 1.33 1.57 -0.00 0.87 -1.65 117.46 116.09 1c6s n PHE 10 Ca -0.00 0.00 0.03 0.00 -0.00 0.00 0.00 57.45 57.48 1c6s n PHE 10 Cb 0.81 -0.98 0.08 0.00 -0.00 0.00 0.00 39.48 39.39 1c6s n PHE 10 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.76 177.21 1c6s n SER 11 N -2.97 1.10 0.00 -2.13 2.88 0.65 -0.32 113.62 112.83 1c6s n SER 11 Ca -0.38 -2.02 0.00 0.00 -1.33 0.00 0.00 58.87 55.14 1c6s n SER 11 Cb 1.07 -0.16 0.00 0.00 -0.75 0.00 0.00 64.21 64.38 1c6s n SER 11 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1c6s n GLY 12 N 0.75 1.00 2.03 0.46 0.00 -1.08 -4.91 105.19 103.43 1c6s n GLY 12 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 -0.51 0.22 1.61 3.02 -1.10 -4.87 115.26 113.63 1c6s n ASN 13 Ca 0.00 0.20 0.05 0.00 -0.03 0.00 0.00 54.58 54.80 1c6s n ASN 13 Cb 0.08 0.65 0.49 0.00 -0.61 0.00 0.00 39.78 40.39 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 1.78 1.96 -0.73 0.00 0.00 -0.90 1.75 119.26 123.13 1c6s h ALA 15 Ca -0.00 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.93 1c6s h ALA 15 Cb 0.41 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 1c6s h ALA 15 CO 0.03 0.02 0.48 0.00 0.00 0.00 0.00 179.25 179.78 1c6s h ALA 16 N 1.93 1.58 0.00 0.00 0.00 -1.66 0.83 119.26 121.93 1c6s h ALA 16 Ca 0.05 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1c6s h ALA 16 Cb 0.04 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.59 1c6s h ALA 16 CO -0.01 0.35 -0.01 0.00 0.00 0.00 0.00 179.25 179.58 1c6s n HIS 18 N -0.92 0.00 -1.57 0.00 8.25 0.59 -3.57 115.22 117.99 1c6s n HIS 18 Ca 0.07 -0.34 -0.39 0.00 -0.26 0.00 0.00 57.72 56.80 1c6s n HIS 18 Cb 0.44 0.38 0.03 0.00 1.12 0.00 0.00 29.99 31.96 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 0.02 0.98 -3.49 -0.41 0.00 0.28 -0.33 117.12 114.18 1c6s n MET 19 Ca -0.17 0.37 -0.24 0.00 0.00 0.00 0.00 57.70 57.65 1c6s n MET 19 Cb 0.66 -1.99 -0.02 0.00 0.00 0.00 0.00 33.22 31.88 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 1.37 -0.47 3.88 3.17 0.00 -1.26 0.04 105.19 111.92 1c6s n GLY 20 Ca 0.11 0.08 -0.28 0.00 0.00 0.00 0.00 46.02 45.94 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 -1.10 -0.45 2.76 -0.02 0.00 0.56 -4.96 105.19 101.98 1c6s n GLY 21 Ca 0.01 0.23 -0.21 0.00 0.00 0.00 0.00 46.02 46.05 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 -4.11 0.38 0.71 -0.02 0.00 0.11 -3.80 107.32 100.60 1c6s s GLY 22 Ca 0.14 -0.01 -0.15 0.00 0.00 0.00 0.00 44.72 44.70 1c6s s GLY 22 CO 0.88 1.07 1.18 0.21 0.00 0.00 0.00 173.10 176.44 1c6s s ASN 23 N 1.81 4.46 0.00 1.64 3.84 -1.26 -3.52 114.94 121.91 1c6s s ASN 23 Ca 0.02 2.26 0.00 0.00 0.21 0.00 0.00 52.86 55.35 1c6s s ASN 23 Cb -0.13 -2.58 0.00 0.00 -0.55 0.00 0.00 41.25 38.00 1c6s s ASN 23 CO -0.04 -2.08 0.00 1.33 -2.79 0.00 0.00 177.10 173.52 1c6s n VAL 24 N -2.60 0.00 -0.00 -5.21 0.24 -1.23 -4.66 118.33 104.86 1c6s n VAL 24 Ca 0.13 0.00 -0.00 0.00 -2.04 0.00 0.00 64.34 62.42 1c6s n VAL 24 Cb 0.51 0.15 -0.00 0.00 -1.47 0.00 0.00 33.84 33.02 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 -1.39 0.07 -0.34 3.34 0.31 -1.26 -4.55 118.33 114.50 1c6s n VAL 25 Ca 0.00 0.41 0.24 0.00 -0.01 0.00 0.00 64.34 64.98 1c6s n VAL 25 Cb 0.09 -1.46 0.50 0.00 -0.91 0.00 0.00 33.84 32.07 1c6s n VAL 25 CO 0.00 0.00 0.00 0.24 -1.32 0.00 0.00 176.83 175.75 1c6s h MET 26 N -0.04 0.37 -3.12 5.55 2.86 -1.92 -3.45 114.93 115.18 1c6s h MET 26 Ca 0.00 -0.02 -0.17 0.00 -2.06 0.00 0.00 59.70 57.45 1c6s h MET 26 Cb 0.04 -0.08 0.06 0.00 0.06 0.00 0.00 31.60 31.68 1c6s h MET 26 CO 0.00 0.24 -0.30 0.00 1.06 0.00 0.00 176.91 177.92 1c6s n ALA 27 N -2.44 -0.58 0.00 6.32 0.00 -1.26 -4.67 120.51 117.89 1c6s n ALA 27 Ca 0.28 0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.89 1c6s n ALA 27 Cb 0.94 -2.66 0.00 0.00 0.00 0.00 0.00 19.45 17.73 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 -0.50 0.00 -4.33 0.00 0.23 -1.26 -5.03 115.26 104.37 1c6s n ASN 28 Ca 0.00 0.00 -0.42 0.00 -0.53 0.00 0.00 54.58 53.63 1c6s n ASN 28 Cb 0.53 0.00 -0.00 0.00 -2.08 0.00 0.00 39.78 38.22 1c6s n ASN 28 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 1c6s n LYS 29 N 0.00 2.99 -1.60 -3.83 4.01 -1.26 -4.50 118.16 113.97 1c6s n LYS 29 Ca 0.00 -3.03 -0.21 0.00 -0.51 0.00 0.00 58.31 54.56 1c6s n LYS 29 Cb 0.00 -3.44 0.14 0.00 -0.51 0.00 0.00 35.03 31.21 1c6s n LYS 29 CO 0.00 0.00 0.00 -2.37 -1.11 0.00 0.00 177.40 173.92 1c6s n THR 30 N 6.12 0.00 0.13 -0.18 5.66 -1.26 -4.31 114.28 120.44 1c6s n THR 30 Ca 0.50 -0.85 0.10 0.00 -3.05 0.00 0.00 64.05 60.75 1c6s n THR 30 Cb 0.44 -1.47 -0.16 0.00 -1.55 0.00 0.00 70.33 67.59 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 0.14 0.00 1.09 7.99 -1.25 -4.42 117.00 120.55 1c6s n LEU 31 Ca 0.13 -0.07 0.00 0.00 -0.01 0.00 0.00 56.01 56.05 1c6s n LEU 31 Cb 0.44 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.75 1c6s n LEU 31 CO 0.31 0.04 0.00 2.29 -1.51 0.00 0.00 177.39 178.52 1c6s n LYS 32 N -2.12 0.00 0.00 3.23 0.00 -1.26 -4.68 118.16 113.34 1c6s n LYS 32 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.28 1c6s n LYS 32 Cb 0.51 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.54 1c6s n LYS 32 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.40 177.76 1c6s n LYS 33 N 0.00 0.00 -0.61 -1.58 2.85 -1.26 -4.70 118.16 112.86 1c6s n LYS 33 Ca 0.00 0.00 0.49 0.00 -1.05 0.00 0.00 58.31 57.75 1c6s n LYS 33 Cb 0.00 0.00 0.78 0.00 -0.65 0.00 0.00 35.03 35.16 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 5.08 -1.97 -0.12 114.58 115.99 1c6s h GLU 34 Ca 0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 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 -0.59 0.00 -1.00 0.00 0.00 179.01 177.42 1c6s n ALA 35 N -2.83 1.98 0.00 3.43 0.00 -1.26 -4.23 120.51 117.60 1c6s n ALA 35 Ca 0.40 -0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1c6s n ALA 35 Cb 1.87 0.16 0.00 0.00 0.00 0.00 0.00 19.45 21.48 1c6s n ALA 35 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 1c6s n LEU 36 N -3.94 0.00 -0.00 0.00 -0.00 -1.14 -0.43 117.00 111.49 1c6s n LEU 36 Ca -0.08 0.37 0.07 0.00 -0.00 0.00 0.00 56.01 56.36 1c6s n LEU 36 Cb 0.29 -0.37 -0.08 0.00 -0.00 0.00 0.00 43.42 43.26 1c6s n LEU 36 CO 0.10 -0.37 -0.15 -0.62 -0.00 0.00 0.00 177.39 176.35 1c6s n GLU 37 N -1.36 2.11 0.10 1.47 -0.58 -0.07 0.12 120.64 122.43 1c6s n GLU 37 Ca 0.00 -0.02 -0.24 0.00 -0.42 0.00 0.00 57.16 56.48 1c6s n GLU 37 Cb 0.02 -1.18 -0.15 0.00 -0.57 0.00 0.00 31.44 29.56 1c6s n GLU 37 CO 0.00 0.00 0.00 1.96 -0.48 0.00 0.00 177.13 178.61 1c6s h GLN 38 N 0.00 0.45 0.08 3.49 1.08 -0.88 -3.35 115.11 115.98 1c6s h GLN 38 Ca 0.00 -0.78 -0.21 0.00 -1.45 0.00 0.00 58.65 56.21 1c6s h GLN 38 Cb 0.38 0.29 -0.01 0.00 -0.05 0.00 0.00 27.48 28.09 1c6s h GLN 38 CO 0.00 1.37 -1.08 0.74 -0.95 0.00 0.00 178.83 178.91 1c6s h PHE 39 N 0.07 0.31 0.00 2.96 0.04 -1.64 -3.50 116.94 115.17 1c6s h PHE 39 Ca -0.29 -0.22 0.00 0.00 2.80 0.00 0.00 57.97 60.26 1c6s h PHE 39 Cb 2.09 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 40.22 1c6s h PHE 39 CO 0.12 1.42 0.00 0.41 -0.60 0.00 0.00 178.31 179.67 1c6s n GLY 40 N 1.66 2.36 0.00 -1.45 0.00 -0.95 -5.10 105.19 101.71 1c6s n GLY 40 Ca -0.22 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.14 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 -1.06 1.61 0.00 0.12 -4.95 117.12 112.84 1c6s n MET 41 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 57.70 57.65 1c6s n MET 41 Cb 0.00 0.00 0.15 0.00 0.00 0.00 0.00 33.22 33.37 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 0.99 -3.93 3.17 9.36 -1.18 -4.22 117.16 121.35 1c6s n TYR 42 Ca 0.00 -1.75 -0.26 0.00 3.32 0.00 0.00 57.90 59.21 1c6s n TYR 42 Cb 0.00 -0.32 -0.02 0.00 -0.63 0.00 0.00 39.34 38.37 1c6s n TYR 42 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 1c6s s SER 43 N -3.26 4.62 0.00 2.98 0.15 -1.26 -4.88 113.70 112.05 1c6s s SER 43 Ca 0.43 -1.21 0.00 0.00 0.70 0.00 0.00 55.95 55.87 1c6s s SER 43 Cb 0.39 0.25 0.00 0.00 -1.71 0.00 0.00 66.02 64.95 1c6s s SER 43 CO -0.03 -1.00 0.44 -0.62 1.20 0.00 0.00 173.24 173.23 1c6s n GLU 44 N -1.67 0.00 -0.24 5.44 1.02 -1.26 -1.28 120.64 122.65 1c6s n GLU 44 Ca -0.02 0.37 0.13 0.00 -0.02 0.00 0.00 57.16 57.62 1c6s n GLU 44 Cb 0.64 -1.12 0.41 0.00 -0.02 0.00 0.00 31.44 31.35 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 0.58 0.00 1.62 3.58 -1.98 0.55 116.42 120.77 1c6s h ASP 45 Ca 0.00 0.04 0.00 0.00 0.42 0.00 0.00 57.03 57.49 1c6s h ASP 45 Cb 0.00 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 40.97 1c6s h ASP 45 CO 0.00 0.29 0.00 0.00 -2.88 0.00 0.00 179.24 176.65 1c6s n ALA 46 N -2.46 -0.22 0.25 -0.78 0.00 -1.24 -0.65 120.51 115.42 1c6s n ALA 46 Ca 0.17 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.73 1c6s n ALA 46 Cb 0.50 0.00 0.65 0.00 0.00 0.00 0.00 19.45 20.59 1c6s n ALA 46 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1c6s h ILE 47 N 0.00 0.00 0.08 0.00 2.04 -1.12 0.30 117.51 118.81 1c6s h ILE 47 Ca 0.00 0.00 -0.26 0.00 1.00 0.00 0.00 64.86 65.60 1c6s h ILE 47 Cb 0.00 0.53 -0.01 0.00 -0.74 0.00 0.00 36.82 36.60 1c6s h ILE 47 CO 0.00 0.00 -1.22 0.40 0.00 0.00 0.00 178.15 177.33 1c6s h ILE 48 N 0.00 1.51 0.00 -0.67 2.04 0.35 -2.32 117.51 118.41 1c6s h ILE 48 Ca 0.00 -3.14 -0.04 0.00 1.00 0.00 0.00 64.86 62.68 1c6s h ILE 48 Cb 0.54 2.88 -0.01 0.00 -0.74 0.00 0.00 36.82 39.49 1c6s h ILE 48 CO 0.00 0.90 -0.20 0.22 0.00 0.00 0.00 178.15 179.07 1c6s h TYR 49 N 0.05 0.00 0.07 1.37 3.20 0.20 -0.54 116.97 121.31 1c6s h TYR 49 Ca -0.11 0.00 -0.29 0.00 3.14 0.00 0.00 58.73 61.47 1c6s h TYR 49 Cb 1.92 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 40.16 1c6s h TYR 49 CO 0.04 0.20 -1.53 -0.56 -1.64 0.00 0.00 178.16 174.68 1c6s h GLN 50 N 0.00 0.14 0.17 1.82 -0.00 -1.46 -3.25 115.11 112.53 1c6s h GLN 50 Ca -0.00 -0.25 -0.30 0.00 -0.00 0.00 0.00 58.65 58.11 1c6s h GLN 50 Cb 0.82 0.09 0.02 0.00 -0.00 0.00 0.00 27.48 28.40 1c6s h GLN 50 CO 0.03 0.94 -1.32 0.28 -0.00 0.00 0.00 178.83 178.76 1c6s h VAL 51 N 0.04 1.43 0.00 1.86 2.07 -1.31 2.04 116.25 122.38 1c6s h VAL 51 Ca -0.23 -2.93 0.00 0.00 0.82 0.00 0.00 66.70 64.36 1c6s h VAL 51 Cb 1.98 2.97 0.00 0.00 -1.52 0.00 0.00 31.29 34.72 1c6s h VAL 51 CO 0.13 0.86 0.00 0.00 0.02 0.00 0.00 177.57 178.58 1c6s n GLN 52 N -3.60 0.20 -1.27 1.57 3.00 -0.22 -2.68 117.38 114.38 1c6s n GLN 52 Ca -0.11 0.37 -0.06 0.00 -0.01 0.00 0.00 57.00 57.19 1c6s n GLN 52 Cb 1.05 -1.84 -0.04 0.00 0.00 0.00 0.00 30.24 29.41 1c6s n GLN 52 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.06 177.78 1c6s n HIS 53 N -2.21 -0.30 -1.38 1.08 -0.00 -1.22 -0.27 115.22 110.92 1c6s n HIS 53 Ca 0.03 -0.69 0.00 0.00 -0.00 0.00 0.00 57.72 57.06 1c6s n HIS 53 Cb 0.27 0.64 0.00 0.00 -0.00 0.00 0.00 29.99 30.90 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 -0.22 2.27 0.00 -1.41 0.00 0.69 -3.94 105.19 102.58 1c6s n GLY 54 Ca -0.25 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.54 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 -1.13 -4.02 118.16 132.63 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 -2.32 4.39 3.02 -1.26 -1.28 115.26 117.82 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 0.03 0.00 -0.61 0.00 0.00 39.78 39.20 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 4.30 -2.36 5.41 0.00 -1.26 -5.04 120.51 126.96 1c6s n ALA 57 Ca 0.00 -3.54 -0.31 0.00 0.00 0.00 0.00 53.44 49.59 1c6s n ALA 57 Cb 0.00 -0.52 -0.14 0.00 0.00 0.00 0.00 19.45 18.78 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 -3.63 1.94 -0.69 0.00 0.00 -0.40 -4.96 119.30 111.56 1c6s s MET 58 Ca 0.43 -1.04 -0.27 0.00 0.00 0.00 0.00 55.69 54.82 1c6s s MET 58 Cb 0.39 -2.05 0.01 0.00 0.00 0.00 0.00 34.83 33.18 1c6s s MET 58 CO -0.01 0.53 1.56 -1.25 0.00 0.00 0.00 175.02 175.85 1c6s s PRO 59 N -1.14 2.93 -0.08 4.11 0.04 -1.26 -2.83 135.00 136.77 1c6s s PRO 59 Ca 0.12 0.14 -0.32 0.00 0.04 0.00 0.00 61.00 60.97 1c6s s PRO 59 Cb -0.10 -4.30 -0.10 0.00 0.04 0.00 0.00 34.50 30.04 1c6s s PRO 59 CO 0.02 -2.43 1.98 0.00 0.04 0.00 0.00 177.00 176.60 1c6s n ALA 60 N 10.97 1.24 -0.08 8.56 0.00 -1.25 -3.77 120.51 136.17 1c6s n ALA 60 Ca 0.12 0.18 -0.15 0.00 0.00 0.00 0.00 53.44 53.59 1c6s n ALA 60 Cb 0.50 -2.62 -0.10 0.00 0.00 0.00 0.00 19.45 17.24 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 -4.00 0.00 -1.00 -1.52 -3.44 116.94 117.55 1c6s h PHE 61 Ca -0.47 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.31 1c6s h PHE 61 Cb 1.26 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.82 1c6s h PHE 61 CO 0.92 0.98 0.00 0.00 -1.61 0.00 0.00 178.31 178.60 1c6s n ALA 62 N -3.09 -0.72 0.00 2.45 0.00 0.62 -1.21 120.51 118.57 1c6s n ALA 62 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.26 1c6s n ALA 62 Cb 0.49 -0.40 0.00 0.00 0.00 0.00 0.00 19.45 19.54 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 -0.36 1.16 0.20 0.00 0.00 -1.26 -5.04 105.19 99.89 1c6s n GLY 63 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 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 0.53 0.00 1.61 0.63 -0.35 -4.95 116.66 114.13 1c6s n ARG 64 Ca 0.00 0.23 0.00 0.00 -0.92 0.00 0.00 57.85 57.16 1c6s n ARG 64 Cb 0.00 -1.39 0.00 0.00 0.45 0.00 0.00 32.46 31.52 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 -4.21 0.00 0.00 6.15 4.77 -1.26 -5.08 117.00 117.37 1c6s n LEU 65 Ca -0.40 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.58 1c6s n LEU 65 Cb 0.75 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.84 1c6s n LEU 65 CO 0.07 0.00 0.00 0.41 -1.33 0.00 0.00 177.39 176.54 1c6s n THR 66 N 0.00 0.00 -0.05 -5.08 -1.04 -1.26 -4.92 114.28 101.93 1c6s n THR 66 Ca 0.00 0.00 -0.03 0.00 -2.04 0.00 0.00 64.05 61.98 1c6s n THR 66 Cb 0.00 -1.07 -0.01 0.00 -1.82 0.00 0.00 70.33 67.43 1c6s n THR 66 CO 0.00 0.00 0.00 0.44 -0.64 0.00 0.00 175.07 174.87 1c6s h ASP 67 N 0.00 0.00 0.00 8.00 3.32 -1.98 -2.82 116.42 122.94 1c6s h ASP 67 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1c6s h ASP 67 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1c6s h ASP 67 CO 0.00 0.55 0.00 1.21 -1.72 0.00 0.00 179.24 179.28 1c6s n GLU 68 N -4.02 0.57 -0.08 3.56 2.13 -1.26 -2.10 120.64 119.43 1c6s n GLU 68 Ca -0.05 0.00 -0.09 0.00 0.66 0.00 0.00 57.16 57.68 1c6s n GLU 68 Cb 0.18 -1.37 -0.12 0.00 0.27 0.00 0.00 31.44 30.40 1c6s n GLU 68 CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76 1c6s n GLN 69 N -0.87 1.19 0.24 5.31 3.00 -1.26 -0.94 117.38 124.06 1c6s n GLN 69 Ca 0.10 0.02 0.13 0.00 -0.01 0.00 0.00 57.00 57.24 1c6s n GLN 69 Cb 0.05 -1.41 0.47 0.00 0.00 0.00 0.00 30.24 29.35 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 0.00 0.27 0.00 5.09 1.08 -1.15 0.49 117.51 123.30 1c6s h ILE 70 Ca -0.44 -0.93 0.00 0.00 -0.39 0.00 0.00 64.86 63.10 1c6s h ILE 70 Cb 1.94 1.74 0.00 0.00 -3.07 0.00 0.00 36.82 37.43 1c6s h ILE 70 CO 0.00 0.12 -0.20 0.00 -0.69 0.00 0.00 178.15 177.38 1c6s n GLN 71 N -3.22 0.18 -0.25 2.37 1.13 -0.96 -4.16 117.38 112.46 1c6s n GLN 71 Ca 0.01 0.35 0.11 0.00 -1.94 0.00 0.00 57.00 55.53 1c6s n GLN 71 Cb 0.42 -1.11 0.38 0.00 0.11 0.00 0.00 30.24 30.04 1c6s n GLN 71 CO 0.00 0.00 0.00 0.22 -1.44 0.00 0.00 177.06 175.84 1c6s h ASP 72 N -0.39 0.65 0.11 1.08 1.82 -1.12 -0.29 116.42 118.28 1c6s h ASP 72 Ca 0.00 0.03 -0.01 0.00 -0.39 0.00 0.00 57.03 56.66 1c6s h ASP 72 Cb 0.20 -0.10 -0.00 0.00 0.68 0.00 0.00 39.33 40.11 1c6s h ASP 72 CO 0.00 0.34 -0.06 1.62 -1.61 0.00 0.00 179.24 179.53 1c6s h VAL 73 N 0.69 0.73 0.00 2.25 3.04 -1.07 2.47 116.25 124.37 1c6s h VAL 73 Ca 0.43 -0.23 -0.00 0.00 -1.01 0.00 0.00 66.70 65.88 1c6s h VAL 73 Cb 0.66 1.13 -0.00 0.00 -2.01 0.00 0.00 31.29 31.07 1c6s h VAL 73 CO -0.19 0.06 -0.12 0.00 -1.01 0.00 0.00 177.57 176.31 1c6s h ALA 74 N 1.94 0.01 -0.09 3.17 0.00 -1.22 -2.27 119.26 120.79 1c6s h ALA 74 Ca -0.00 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 54.78 1c6s h ALA 74 Cb 0.13 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 1c6s h ALA 74 CO 0.01 0.11 0.29 0.00 0.00 0.00 0.00 179.25 179.66 1c6s h ALA 75 N -0.92 1.47 -0.28 0.00 0.00 -1.26 0.20 119.26 118.48 1c6s h ALA 75 Ca -0.01 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 1c6s h ALA 75 Cb 0.19 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1c6s h ALA 75 CO -0.00 -0.33 -0.04 -0.92 0.00 0.00 0.00 179.25 177.95 1c6s h TYR 76 N 0.00 0.57 0.00 0.00 3.20 0.43 -2.13 116.97 119.05 1c6s h TYR 76 Ca 0.04 -0.12 -0.01 0.00 3.14 0.00 0.00 58.73 61.79 1c6s h TYR 76 Cb 0.62 -0.14 -0.00 0.00 1.54 0.00 0.00 36.73 38.74 1c6s h TYR 76 CO 0.00 0.70 -0.05 -0.24 -1.64 0.00 0.00 178.16 176.93 1c6s h VAL 77 N 0.28 0.14 0.00 1.81 3.04 -0.02 0.03 116.25 121.54 1c6s h VAL 77 Ca 0.07 -0.61 0.00 0.00 -1.01 0.00 0.00 66.70 65.16 1c6s h VAL 77 Cb 0.50 1.52 0.00 0.00 -2.01 0.00 0.00 31.29 31.31 1c6s h VAL 77 CO 0.02 0.05 0.00 0.18 -1.01 0.00 0.00 177.57 176.81 1c6s n LEU 78 N -3.18 0.30 -0.12 3.16 4.77 -0.84 -1.78 117.00 119.31 1c6s n LEU 78 Ca 0.00 0.54 -0.16 0.00 -0.03 0.00 0.00 56.01 56.36 1c6s n LEU 78 Cb 0.31 -0.45 -0.13 0.00 -2.33 0.00 0.00 43.42 40.82 1c6s n LEU 78 CO 0.28 -0.13 -1.30 -0.67 -1.33 0.00 0.00 177.39 174.24 1c6s n ASP 79 N -1.79 1.49 0.08 -1.43 -0.08 -0.13 -4.20 116.55 110.49 1c6s n ASP 79 Ca 0.06 -0.10 -0.14 0.00 -1.51 0.00 0.00 54.79 53.09 1c6s n ASP 79 Cb 0.34 -0.06 -0.08 0.00 2.34 0.00 0.00 41.12 43.66 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 0.34 -0.12 -0.67 1.08 -1.21 -2.15 115.11 112.38 1c6s h GLN 80 Ca -0.57 -0.44 -0.00 0.00 -1.45 0.00 0.00 58.65 56.19 1c6s h GLN 80 Cb 1.99 0.14 -0.01 0.00 -0.05 0.00 0.00 27.48 29.55 1c6s h GLN 80 CO -0.06 1.14 0.07 0.00 -0.95 0.00 0.00 178.83 179.03 1c6s h ALA 81 N 0.69 0.16 -0.27 3.87 0.00 -1.57 0.53 119.26 122.67 1c6s h ALA 81 Ca -0.10 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1c6s h ALA 81 Cb 1.72 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.46 1c6s h ALA 81 CO 0.18 -0.33 0.00 0.00 0.00 0.00 0.00 179.25 179.10 1c6s n ALA 82 N -2.15 2.68 -0.92 0.00 0.00 -1.24 -3.74 120.51 115.14 1c6s n ALA 82 Ca -0.05 -0.60 0.02 0.00 0.00 0.00 0.00 53.44 52.80 1c6s n ALA 82 Cb 0.05 -1.01 0.02 0.00 0.00 0.00 0.00 19.45 18.52 1c6s n ALA 82 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1c6s n LYS 83 N 0.31 1.09 -1.29 0.00 4.81 -0.51 -5.03 118.16 117.54 1c6s n LYS 83 Ca 0.10 -1.24 0.00 0.00 -0.87 0.00 0.00 58.31 56.30 1c6s n LYS 83 Cb 0.39 -0.82 0.00 0.00 0.02 0.00 0.00 35.03 34.63 1c6s n LYS 83 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1c6s n GLY 84 N -0.39 -0.27 3.04 3.14 0.00 -0.51 -4.74 105.19 105.46 1c6s n GLY 84 Ca 0.03 -0.24 -0.08 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.70 0.00 -2.17 1.61 5.03 0.06 -1.49 117.44 119.78 1c6s n TRP 85 Ca 0.00 0.00 -0.03 0.00 3.03 0.00 0.00 57.50 60.50 1c6s n TRP 85 Cb 0.27 -0.48 -0.00 0.00 -1.03 0.00 0.00 31.31 30.07 1c6s n TRP 85 CO 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 177.69 177.66 1c6s n ALA 86 N 4.65 -0.74 0.00 6.99 0.00 -1.26 -4.67 120.51 125.48 1c6s n ALA 86 Ca 0.24 0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.71 1c6s n ALA 86 Cb 0.35 -0.68 0.00 0.00 0.00 0.00 0.00 19.45 19.12 1c6s n ALA 86 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91