#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 4.31 0.00 0.00 5.75 -1.26 -4.59 116.55 120.76 1c6s n ASP 2 Ca 0.00 0.00 0.06 0.00 -0.01 0.00 0.00 54.79 54.84 1c6s n ASP 2 Cb 0.00 0.64 0.31 0.00 -1.03 0.00 0.00 41.12 41.04 1c6s n ASP 2 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1c6s n LEU 3 N -1.55 0.00 0.23 -2.12 4.77 -1.26 -1.63 117.00 115.45 1c6s n LEU 3 Ca 0.00 0.29 0.07 0.00 -0.03 0.00 0.00 56.01 56.34 1c6s n LEU 3 Cb 0.22 -0.29 0.55 0.00 -2.33 0.00 0.00 43.42 41.57 1c6s n LEU 3 CO 0.00 -0.17 0.93 0.00 -1.33 0.00 0.00 177.39 176.81 1c6s h ALA 4 N 2.59 1.67 -0.01 -1.18 0.00 -1.97 0.16 119.26 120.52 1c6s h ALA 4 Ca 0.00 -0.15 -0.15 0.00 0.00 0.00 0.00 54.91 54.61 1c6s h ALA 4 Cb 0.12 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1c6s h ALA 4 CO 0.00 0.20 -0.71 -0.97 0.00 0.00 0.00 179.25 177.77 1c6s h ASN 5 N 0.00 0.07 0.90 0.00 -0.00 -1.65 -3.04 115.58 111.86 1c6s h ASN 5 Ca -0.00 -0.05 -0.04 0.00 -0.00 0.00 0.00 56.30 56.21 1c6s h ASN 5 Cb 0.29 -0.02 0.00 0.00 -0.00 0.00 0.00 38.32 38.60 1c6s h ASN 5 CO 0.02 0.75 -0.49 1.23 -0.00 0.00 0.00 177.43 178.95 1c6s h GLY 6 N 1.99 -1.37 0.55 1.57 0.00 -0.80 -1.52 103.07 103.49 1c6s h GLY 6 Ca -0.01 0.53 0.20 0.00 0.00 0.00 0.00 47.33 48.05 1c6s h GLY 6 CO 0.10 -0.48 0.53 0.00 0.00 0.00 0.00 176.54 176.69 1c6s h ALA 7 N -1.23 2.58 -0.55 3.60 0.00 -1.49 0.29 119.26 122.45 1c6s h ALA 7 Ca -0.12 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 1c6s h ALA 7 Cb 1.00 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.81 1c6s h ALA 7 CO 0.17 -0.89 0.26 -0.22 0.00 0.00 0.00 179.25 178.57 1c6s h LYS 8 N 0.00 0.80 0.01 0.00 3.11 -1.17 0.22 116.57 119.54 1c6s h LYS 8 Ca 0.32 -0.12 -0.01 0.00 -2.81 0.00 0.00 60.65 58.03 1c6s h LYS 8 Cb 1.39 -0.14 0.00 0.00 -1.00 0.00 0.00 32.23 32.48 1c6s h LYS 8 CO -0.00 0.66 -0.05 0.28 -2.81 0.00 0.00 179.45 177.53 1c6s h VAL 9 N 0.75 1.70 0.00 2.00 2.07 -0.14 -3.23 116.25 119.40 1c6s h VAL 9 Ca 0.19 -2.12 -0.00 0.00 0.82 0.00 0.00 66.70 65.59 1c6s h VAL 9 Cb 0.13 3.13 -0.00 0.00 -1.52 0.00 0.00 31.29 33.03 1c6s h VAL 9 CO -0.02 0.55 -0.01 0.15 0.02 0.00 0.00 177.57 178.26 1c6s h PHE 10 N -0.85 0.00 -0.23 1.57 3.04 -0.93 0.49 116.94 120.02 1c6s h PHE 10 Ca -0.01 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.94 1c6s h PHE 10 Cb 0.94 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.45 1c6s h PHE 10 CO 0.24 0.01 0.00 -1.13 -2.02 0.00 0.00 178.31 175.41 1c6s n SER 11 N -3.59 2.87 0.00 0.41 3.41 0.78 -1.21 113.62 116.29 1c6s n SER 11 Ca -0.03 -2.36 0.00 0.00 -0.26 0.00 0.00 58.87 56.22 1c6s n SER 11 Cb 0.09 -0.57 0.00 0.00 -0.26 0.00 0.00 64.21 63.48 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 0.27 0.18 1.68 5.00 0.00 0.12 -4.87 105.19 107.58 1c6s n GLY 12 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 0.08 1.61 3.02 -0.94 -4.88 115.26 114.15 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 0.35 0.16 -0.07 0.00 -0.61 0.00 0.00 39.78 39.61 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 1.10 1.85 -0.80 0.00 0.00 -1.48 0.55 119.26 120.48 1c6s h ALA 15 Ca -0.01 0.15 0.06 0.00 0.00 0.00 0.00 54.91 55.12 1c6s h ALA 15 Cb 1.64 0.08 -0.06 0.00 0.00 0.00 0.00 17.79 19.46 1c6s h ALA 15 CO 0.12 -0.40 0.48 0.00 0.00 0.00 0.00 179.25 179.45 1c6s h ALA 16 N 1.78 1.10 -0.35 0.00 0.00 -1.87 -2.72 119.26 117.20 1c6s h ALA 16 Ca 0.68 0.00 -0.23 0.00 0.00 0.00 0.00 54.91 55.37 1c6s h ALA 16 Cb 1.42 -0.20 -0.15 0.00 0.00 0.00 0.00 17.79 18.85 1c6s h ALA 16 CO -0.54 0.20 -0.37 0.00 0.00 0.00 0.00 179.25 178.54 1c6s n HIS 18 N -1.01 -0.64 -2.06 0.00 -0.00 0.16 -3.67 115.22 107.99 1c6s n HIS 18 Ca 0.32 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 58.04 1c6s n HIS 18 Cb 0.87 0.13 0.00 0.00 -0.00 0.00 0.00 29.99 30.99 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 -1.35 -3.36 -3.76 -0.41 1.56 -1.09 -2.23 117.12 106.49 1c6s n MET 19 Ca 0.00 2.40 -0.28 0.00 -0.27 0.00 0.00 57.70 59.55 1c6s n MET 19 Cb 0.00 -2.99 0.02 0.00 2.15 0.00 0.00 33.22 32.40 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 1.86 -0.65 3.44 -5.12 0.00 -1.26 -3.13 105.19 100.33 1c6s n GLY 20 Ca 0.00 0.31 -0.33 0.00 0.00 0.00 0.00 46.02 46.01 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 -1.75 0.09 3.12 -0.02 0.00 -1.26 -4.47 105.19 100.90 1c6s n GLY 21 Ca -0.19 0.99 0.03 0.00 0.00 0.00 0.00 46.02 46.86 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 -1.42 -1.22 0.65 -0.02 0.00 -0.95 -4.33 107.32 100.03 1c6s s GLY 22 Ca 0.32 1.17 -0.18 0.00 0.00 0.00 0.00 44.72 46.03 1c6s s GLY 22 CO 0.74 3.86 1.23 -2.01 0.00 0.00 0.00 173.10 176.92 1c6s n ASN 23 N 4.94 1.77 -0.00 1.64 2.85 -1.26 -3.23 115.26 121.97 1c6s n ASN 23 Ca 0.07 0.81 0.01 0.00 -0.11 0.00 0.00 54.58 55.36 1c6s n ASN 23 Cb 0.57 -1.52 -0.01 0.00 1.24 0.00 0.00 39.78 40.05 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 -1.97 0.00 -0.01 3.44 0.24 -1.24 -4.85 118.33 113.94 1c6s n VAL 24 Ca 0.15 -0.26 -0.01 0.00 -2.04 0.00 0.00 64.34 62.18 1c6s n VAL 24 Cb 0.48 0.75 -0.00 0.00 -1.47 0.00 0.00 33.84 33.59 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 -1.28 0.20 -2.60 3.34 0.31 -1.26 -4.96 118.33 112.08 1c6s n VAL 25 Ca 0.00 0.43 -0.40 0.00 -0.01 0.00 0.00 64.34 64.36 1c6s n VAL 25 Cb 0.03 -1.58 -0.05 0.00 -0.91 0.00 0.00 33.84 31.33 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 -1.25 4.66 -1.03 5.55 -1.94 -1.26 -4.96 119.30 119.08 1c6s s MET 26 Ca -0.04 1.63 -0.02 0.00 -1.71 0.00 0.00 55.69 55.56 1c6s s MET 26 Cb 0.00 -3.12 0.32 0.00 2.01 0.00 0.00 34.83 34.04 1c6s s MET 26 CO 0.05 0.28 1.71 0.00 -0.01 0.00 0.00 175.02 177.05 1c6s n ALA 27 N 1.11 5.79 0.00 3.03 0.00 -1.26 -4.38 120.51 124.81 1c6s n ALA 27 Ca -0.01 -4.67 0.00 0.00 0.00 0.00 0.00 53.44 48.77 1c6s n ALA 27 Cb 0.46 -2.18 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 0.30 0.00 -4.16 0.00 0.23 -1.26 -5.03 115.26 105.34 1c6s n ASN 28 Ca 0.41 0.00 -0.43 0.00 -0.53 0.00 0.00 54.58 54.03 1c6s n ASN 28 Cb 0.28 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.98 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 3.07 -2.46 -3.83 5.02 -1.26 -4.64 118.16 114.05 1c6s n LYS 29 Ca 0.00 -3.01 -0.24 0.00 -2.02 0.00 0.00 58.31 53.04 1c6s n LYS 29 Cb 0.00 -3.36 0.10 0.00 -0.02 0.00 0.00 35.03 31.75 1c6s n LYS 29 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1c6s s THR 30 N 3.49 2.24 -0.24 -0.18 2.01 -1.26 -4.60 115.64 117.10 1c6s s THR 30 Ca 0.50 -0.49 0.19 0.00 0.31 0.00 0.00 61.69 62.20 1c6s s THR 30 Cb 0.08 -2.75 -0.28 0.00 0.01 0.00 0.00 72.50 69.56 1c6s s THR 30 CO -0.00 0.00 0.52 0.18 -0.69 0.00 0.00 174.62 174.62 1c6s n LEU 31 N -2.86 0.22 0.00 4.42 7.99 -1.26 -3.69 117.00 121.81 1c6s n LEU 31 Ca 0.13 -0.12 0.00 0.00 -0.01 0.00 0.00 56.01 56.00 1c6s n LEU 31 Cb 0.60 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.91 1c6s n LEU 31 CO 0.45 0.05 0.27 0.29 -1.51 0.00 0.00 177.39 176.95 1c6s n LYS 32 N -2.00 0.00 0.00 3.23 5.02 -1.26 -4.41 118.16 118.74 1c6s n LYS 32 Ca -0.02 0.34 0.00 0.00 -2.02 0.00 0.00 58.31 56.62 1c6s n LYS 32 Cb 0.46 -1.05 0.00 0.00 -0.02 0.00 0.00 35.03 34.42 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 -0.97 0.00 0.14 1.97 2.85 -1.26 -4.07 118.16 116.82 1c6s n LYS 33 Ca 0.00 0.00 0.10 0.00 -1.05 0.00 0.00 58.31 57.36 1c6s n LYS 33 Cb 0.00 0.00 0.51 0.00 -0.65 0.00 0.00 35.03 34.89 1c6s n LYS 33 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 1c6s n GLU 34 N -1.88 0.13 -0.10 -1.58 -0.58 -1.26 -1.90 120.64 113.48 1c6s n GLU 34 Ca 0.00 0.58 -0.18 0.00 -0.42 0.00 0.00 57.16 57.14 1c6s n GLU 34 Cb 0.00 -1.89 -0.08 0.00 -0.57 0.00 0.00 31.44 28.90 1c6s n GLU 34 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1c6s n ALA 35 N -1.74 1.67 0.02 0.62 0.00 -1.26 -3.68 120.51 116.14 1c6s n ALA 35 Ca -0.01 -0.79 0.02 0.00 0.00 0.00 0.00 53.44 52.67 1c6s n ALA 35 Cb 0.06 0.17 0.38 0.00 0.00 0.00 0.00 19.45 20.07 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 -0.41 0.43 -0.58 0.00 -0.00 -1.62 -0.32 115.31 112.82 1c6s h LEU 36 Ca -0.47 -0.04 0.00 0.00 -0.00 0.00 0.00 57.88 57.37 1c6s h LEU 36 Cb 1.53 -0.11 0.00 0.00 -0.00 0.00 0.00 40.66 42.08 1c6s h LEU 36 CO -0.20 0.41 -0.20 -0.62 -0.00 0.00 0.00 178.44 177.83 1c6s n GLU 37 N -4.38 1.00 0.03 0.17 1.02 -0.80 -0.89 120.64 116.79 1c6s n GLU 37 Ca 0.02 -0.58 -0.03 0.00 -0.02 0.00 0.00 57.16 56.55 1c6s n GLU 37 Cb 0.15 -1.49 -0.02 0.00 -0.02 0.00 0.00 31.44 30.06 1c6s n GLU 37 CO 0.00 0.00 0.00 0.37 1.18 0.00 0.00 177.13 178.68 1c6s h GLN 38 N 1.41 -0.18 0.00 3.49 -0.00 -1.13 -3.40 115.11 115.29 1c6s h GLN 38 Ca 0.00 0.01 -0.14 0.00 -0.00 0.00 0.00 58.65 58.52 1c6s h GLN 38 Cb 0.50 0.04 -0.02 0.00 0.00 0.00 0.00 27.48 28.00 1c6s h GLN 38 CO 0.00 -0.10 -0.84 0.27 0.00 0.00 0.00 178.83 178.16 1c6s h PHE 39 N -1.05 0.00 0.00 3.99 -5.15 -1.65 -3.49 116.94 109.59 1c6s h PHE 39 Ca -0.02 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.75 1c6s h PHE 39 Cb 0.17 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.34 1c6s h PHE 39 CO 0.01 1.15 0.00 0.41 -2.00 0.00 0.00 178.31 177.88 1c6s n GLY 40 N 1.51 0.00 0.25 6.09 0.00 -0.71 -5.01 105.19 107.32 1c6s n GLY 40 Ca -0.23 0.00 0.15 0.00 0.00 0.00 0.00 46.02 45.94 1c6s n GLY 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1c6s h MET 41 N 0.00 0.00 -0.28 1.61 -0.00 -1.29 -3.10 114.93 111.87 1c6s h MET 41 Ca 0.00 0.00 0.08 0.00 -0.00 0.00 0.00 59.70 59.78 1c6s h MET 41 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 31.59 1c6s h MET 41 CO 0.00 0.00 0.72 -0.92 -0.00 0.00 0.00 176.91 176.71 1c6s h TYR 42 N 0.00 0.00 -3.34 -0.10 5.03 -1.77 -3.25 116.97 113.54 1c6s h TYR 42 Ca -0.00 0.00 -0.57 0.00 2.58 0.00 0.00 58.73 60.74 1c6s h TYR 42 Cb 0.75 0.00 -0.07 0.00 1.55 0.00 0.00 36.73 38.96 1c6s h TYR 42 CO 0.00 0.00 -0.07 -1.54 -1.32 0.00 0.00 178.16 175.23 1c6s s SER 43 N -3.99 6.77 0.10 -2.11 1.04 -1.17 -4.78 113.70 109.56 1c6s s SER 43 Ca -0.02 0.92 -0.23 0.00 0.48 0.00 0.00 55.95 57.09 1c6s s SER 43 Cb 0.09 -2.32 -0.07 0.00 0.10 0.00 0.00 66.02 63.81 1c6s s SER 43 CO 0.29 -0.04 1.39 -0.33 0.98 0.00 0.00 173.24 175.53 1c6s h GLU 44 N 6.76 -0.16 -1.03 4.02 5.08 -1.89 0.47 114.58 127.82 1c6s h GLU 44 Ca -0.41 0.01 0.26 0.00 -1.00 0.00 0.00 59.36 58.23 1c6s h GLU 44 Cb 1.18 0.04 -0.09 0.00 0.50 0.00 0.00 28.75 30.38 1c6s h GLU 44 CO 0.76 -0.11 0.67 0.22 -1.00 0.00 0.00 179.01 179.55 1c6s h ASP 45 N -0.17 0.42 0.00 1.42 3.58 -1.93 0.46 116.42 120.20 1c6s h ASP 45 Ca 0.08 0.08 0.00 0.00 0.42 0.00 0.00 57.03 57.60 1c6s h ASP 45 Cb 0.37 0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.43 1c6s h ASP 45 CO -0.54 0.09 0.00 0.00 -2.88 0.00 0.00 179.24 175.91 1c6s n ALA 46 N -2.49 -0.08 0.23 -0.78 0.00 0.16 -1.72 120.51 115.83 1c6s n ALA 46 Ca 0.25 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.83 1c6s n ALA 46 Cb 0.88 0.00 0.78 0.00 0.00 0.00 0.00 19.45 21.10 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 0.00 -0.26 0.00 2.10 -1.35 0.08 117.51 118.08 1c6s h ILE 47 Ca 0.00 0.00 -0.16 0.00 1.08 0.00 0.00 64.86 65.78 1c6s h ILE 47 Cb 0.00 0.63 -0.01 0.00 -1.09 0.00 0.00 36.82 36.36 1c6s h ILE 47 CO 0.00 0.00 -0.47 0.40 -1.08 0.00 0.00 178.15 177.00 1c6s h ILE 48 N 0.00 1.30 0.00 2.19 2.04 0.05 0.45 117.51 123.54 1c6s h ILE 48 Ca 0.00 -1.67 0.00 0.00 1.00 0.00 0.00 64.86 64.19 1c6s h ILE 48 Cb 0.09 1.60 0.00 0.00 -0.74 0.00 0.00 36.82 37.77 1c6s h ILE 48 CO 0.00 0.54 -0.30 0.22 0.00 0.00 0.00 178.15 178.60 1c6s h TYR 49 N 0.55 0.00 0.00 1.37 5.03 -0.12 -2.10 116.97 121.70 1c6s h TYR 49 Ca 0.03 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.34 1c6s h TYR 49 Cb 1.03 0.00 0.00 0.00 1.55 0.00 0.00 36.73 39.31 1c6s h TYR 49 CO 0.05 0.00 -0.51 0.94 -1.32 0.00 0.00 178.16 177.32 1c6s n GLN 50 N -2.71 0.05 -0.13 1.82 -0.06 -0.77 -3.81 117.38 111.75 1c6s n GLN 50 Ca 0.03 0.01 -0.29 0.00 -2.00 0.00 0.00 57.00 54.76 1c6s n GLN 50 Cb 0.50 -1.53 -0.10 0.00 -4.06 0.00 0.00 30.24 25.06 1c6s n GLN 50 CO 0.00 0.00 0.00 0.28 -0.20 0.00 0.00 177.06 177.14 1c6s n VAL 51 N -1.59 1.53 0.08 1.69 0.31 0.15 -1.47 118.33 119.03 1c6s n VAL 51 Ca 0.05 -0.33 0.05 0.00 -0.01 0.00 0.00 64.34 64.10 1c6s n VAL 51 Cb 0.35 -1.91 0.27 0.00 -0.91 0.00 0.00 33.84 31.64 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 -4.28 0.06 -0.31 5.55 6.02 -0.80 0.10 117.38 123.72 1c6s n GLN 52 Ca -0.51 0.54 0.00 0.00 -0.01 0.00 0.00 57.00 57.02 1c6s n GLN 52 Cb 0.86 -1.76 0.00 0.00 1.02 0.00 0.00 30.24 30.36 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 -1.83 0.00 0.00 1.08 8.25 -1.25 -1.91 115.22 119.55 1c6s n HIS 53 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.45 1c6s n HIS 53 Cb 0.06 0.04 0.00 0.00 1.12 0.00 0.00 29.99 31.21 1c6s n HIS 53 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1c6s n GLY 54 N 0.00 3.55 0.00 -1.41 0.00 -0.54 -3.79 105.19 103.00 1c6s n GLY 54 Ca 0.00 0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.21 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 4.76 -0.61 -4.12 118.16 133.80 1c6s n LYS 55 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1c6s n LYS 55 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 1c6s n LYS 55 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1c6s n ASN 56 N 0.00 -0.00 -0.52 4.39 3.02 -1.26 -1.20 115.26 119.69 1c6s n ASN 56 Ca 0.00 0.00 -0.00 0.00 -0.03 0.00 0.00 54.58 54.55 1c6s n ASN 56 Cb 0.00 -0.00 -0.00 0.00 -0.61 0.00 0.00 39.78 39.17 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 -3.93 2.02 -2.84 5.41 0.00 -1.26 -5.10 120.51 114.81 1c6s n ALA 57 Ca 0.00 -0.61 -0.33 0.00 0.00 0.00 0.00 53.44 52.49 1c6s n ALA 57 Cb 0.00 -0.30 -0.06 0.00 0.00 0.00 0.00 19.45 19.09 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 0.00 3.26 -0.43 0.00 0.00 -0.34 -5.06 119.30 116.72 1c6s s MET 58 Ca 0.01 -0.38 -0.29 0.00 0.00 0.00 0.00 55.69 55.02 1c6s s MET 58 Cb 0.01 -2.99 0.03 0.00 0.00 0.00 0.00 34.83 31.87 1c6s s MET 58 CO -0.00 0.67 1.14 -1.25 0.00 0.00 0.00 175.02 175.58 1c6s s PRO 59 N -1.75 3.80 0.88 4.11 0.04 -1.26 -1.57 135.00 139.25 1c6s s PRO 59 Ca 0.24 0.72 -0.16 0.00 0.04 0.00 0.00 61.00 61.84 1c6s s PRO 59 Cb -0.12 -3.87 -0.14 0.00 0.04 0.00 0.00 34.50 30.41 1c6s s PRO 59 CO 0.15 -1.27 -0.77 0.00 0.04 0.00 0.00 177.00 175.15 1c6s n ALA 60 N 7.65 -5.15 -1.66 8.56 0.00 -1.25 -3.92 120.51 124.74 1c6s n ALA 60 Ca 0.12 -0.66 0.00 0.00 0.00 0.00 0.00 53.44 52.90 1c6s n ALA 60 Cb 0.48 -0.97 0.00 0.00 0.00 0.00 0.00 19.45 18.96 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 -2.27 0.00 0.14 0.00 3.72 0.28 -4.64 117.46 114.68 1c6s n PHE 61 Ca -0.02 0.00 0.17 0.00 -0.05 0.00 0.00 57.45 57.56 1c6s n PHE 61 Cb 0.51 -0.00 0.58 0.00 -0.94 0.00 0.00 39.48 39.63 1c6s n PHE 61 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1c6s h ALA 62 N 0.00 2.05 -0.02 4.37 0.00 -1.56 -2.60 119.26 121.51 1c6s h ALA 62 Ca 0.00 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.75 1c6s h ALA 62 Cb 1.21 0.03 -0.20 0.00 0.00 0.00 0.00 17.79 18.83 1c6s h ALA 62 CO 0.00 -0.85 -0.50 0.41 0.00 0.00 0.00 179.25 178.31 1c6s n GLY 63 N -1.46 0.81 0.28 0.00 0.00 -1.26 -4.94 105.19 98.61 1c6s n GLY 63 Ca 0.07 -0.26 -0.13 0.00 0.00 0.00 0.00 46.02 45.70 1c6s n GLY 63 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1c6s n ARG 64 N -0.04 0.45 0.00 1.61 1.74 -0.98 -4.96 116.66 114.48 1c6s n ARG 64 Ca -0.18 0.18 0.00 0.00 -0.77 0.00 0.00 57.85 57.09 1c6s n ARG 64 Cb 0.83 -1.28 0.00 0.00 -1.02 0.00 0.00 32.46 30.99 1c6s n ARG 64 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1c6s n LEU 65 N -4.20 0.00 -0.06 0.55 4.77 -1.25 -4.99 117.00 111.82 1c6s n LEU 65 Ca -0.22 0.00 -0.06 0.00 -0.03 0.00 0.00 56.01 55.70 1c6s n LEU 65 Cb 0.55 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.62 1c6s n LEU 65 CO 0.13 0.00 -0.44 0.41 -1.33 0.00 0.00 177.39 176.16 1c6s n THR 66 N 0.00 1.01 0.00 -5.08 -1.04 -1.26 -5.02 114.28 102.88 1c6s n THR 66 Ca 0.00 0.26 0.00 0.00 -2.04 0.00 0.00 64.05 62.27 1c6s n THR 66 Cb 0.00 -2.08 0.00 0.00 -1.82 0.00 0.00 70.33 66.43 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 -3.83 0.00 0.00 8.00 8.00 -1.26 -4.85 116.55 122.61 1c6s n ASP 67 Ca -0.09 0.00 0.09 0.00 0.71 0.00 0.00 54.79 55.50 1c6s n ASP 67 Cb 0.33 0.00 0.54 0.00 -0.02 0.00 0.00 41.12 41.98 1c6s n ASP 67 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 1c6s n GLU 68 N 0.00 0.57 -0.01 -1.24 2.13 -1.26 -1.62 120.64 119.20 1c6s n GLU 68 Ca 0.00 0.00 0.01 0.00 0.66 0.00 0.00 57.16 57.83 1c6s n GLU 68 Cb 0.00 -1.50 -0.05 0.00 0.27 0.00 0.00 31.44 30.16 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 -1.00 1.41 0.29 5.31 3.00 -1.26 -0.85 117.38 124.29 1c6s n GLN 69 Ca 0.14 -0.03 0.18 0.00 -0.01 0.00 0.00 57.00 57.28 1c6s n GLN 69 Cb 0.06 -1.15 0.95 0.00 0.00 0.00 0.00 30.24 30.10 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 0.14 0.00 5.09 1.08 -1.65 1.37 117.51 123.54 1c6s h ILE 70 Ca -0.07 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.40 1c6s h ILE 70 Cb 0.76 0.82 0.00 0.00 -3.07 0.00 0.00 36.82 35.33 1c6s h ILE 70 CO 0.00 0.00 -0.15 0.00 -0.69 0.00 0.00 178.15 177.31 1c6s n GLN 71 N -3.23 0.09 -0.20 2.37 3.00 -1.15 -4.14 117.38 114.11 1c6s n GLN 71 Ca -0.01 0.09 0.01 0.00 -0.01 0.00 0.00 57.00 57.09 1c6s n GLN 71 Cb 0.27 -0.71 0.12 0.00 0.00 0.00 0.00 30.24 29.91 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 -0.17 -0.03 -0.28 1.08 5.19 -0.77 0.16 116.42 121.59 1c6s h ASP 72 Ca 0.00 0.12 0.08 0.00 -0.62 0.00 0.00 57.03 56.61 1c6s h ASP 72 Cb 0.15 0.17 -0.01 0.00 0.18 0.00 0.00 39.33 39.82 1c6s h ASP 72 CO 0.00 -0.01 0.22 1.62 -3.12 0.00 0.00 179.24 177.94 1c6s h VAL 73 N 0.24 0.77 0.00 -1.35 3.04 0.16 1.56 116.25 120.68 1c6s h VAL 73 Ca 0.33 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 66.02 1c6s h VAL 73 Cb 0.50 0.85 0.00 0.00 -2.01 0.00 0.00 31.29 30.63 1c6s h VAL 73 CO -0.43 0.00 -0.00 0.00 -1.01 0.00 0.00 177.57 176.12 1c6s h ALA 74 N 1.83 0.00 -0.29 3.17 0.00 -0.74 -2.26 119.26 120.97 1c6s h ALA 74 Ca 0.13 -0.01 0.09 0.00 0.00 0.00 0.00 54.91 55.12 1c6s h ALA 74 Cb 0.56 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1c6s h ALA 74 CO -0.00 0.00 0.55 0.00 0.00 0.00 0.00 179.25 179.80 1c6s h ALA 75 N -1.42 1.92 -0.14 0.00 0.00 -1.09 0.32 119.26 118.83 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 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1c6s h ALA 75 CO 0.00 -0.70 -0.01 -0.92 0.00 0.00 0.00 179.25 177.62 1c6s h TYR 76 N 0.00 0.28 0.00 0.00 3.20 0.23 -1.85 116.97 118.83 1c6s h TYR 76 Ca 0.14 -0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.96 1c6s h TYR 76 Cb 1.23 -0.07 0.00 0.00 1.54 0.00 0.00 36.73 39.43 1c6s h TYR 76 CO 0.00 0.50 0.00 -0.24 -1.64 0.00 0.00 178.16 176.78 1c6s h VAL 77 N -0.01 0.00 0.00 1.81 3.04 0.23 0.40 116.25 121.72 1c6s h VAL 77 Ca 0.04 -0.28 0.00 0.00 -1.01 0.00 0.00 66.70 65.45 1c6s h VAL 77 Cb 0.39 1.10 0.00 0.00 -2.01 0.00 0.00 31.29 30.77 1c6s h VAL 77 CO 0.01 0.00 -0.12 -0.07 -1.01 0.00 0.00 177.57 176.38 1c6s h LEU 78 N 0.00 0.00 0.01 3.16 3.38 -0.84 -0.36 115.31 120.66 1c6s h LEU 78 Ca 0.00 -0.03 -0.37 0.00 0.09 0.00 0.00 57.88 57.57 1c6s h LEU 78 Cb 0.34 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.03 1c6s h LEU 78 CO 0.00 0.02 -2.31 -0.67 0.09 0.00 0.00 178.44 175.56 1c6s n ASP 79 N -2.38 1.08 0.09 -0.43 2.03 -0.04 -4.31 116.55 112.59 1c6s n ASP 79 Ca 0.05 0.01 -0.22 0.00 0.52 0.00 0.00 54.79 55.15 1c6s n ASP 79 Cb 0.45 0.14 -0.15 0.00 -0.72 0.00 0.00 41.12 40.84 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 0.01 0.41 -0.91 -0.67 1.08 -1.14 -1.49 115.11 112.40 1c6s h GLN 80 Ca -0.52 -0.70 0.23 0.00 -1.45 0.00 0.00 58.65 56.21 1c6s h GLN 80 Cb 2.07 0.26 -0.06 0.00 -0.05 0.00 0.00 27.48 29.70 1c6s h GLN 80 CO -0.01 1.32 0.62 0.00 -0.95 0.00 0.00 178.83 179.81 1c6s h ALA 81 N 0.21 2.40 0.00 3.87 0.00 -1.20 0.42 119.26 124.96 1c6s h ALA 81 Ca -0.30 0.01 -0.19 0.00 0.00 0.00 0.00 54.91 54.43 1c6s h ALA 81 Cb 2.10 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.87 1c6s h ALA 81 CO 0.20 -0.69 -0.94 0.00 0.00 0.00 0.00 179.25 177.82 1c6s h ALA 82 N 1.60 0.46 0.00 0.00 0.00 -1.74 -3.39 119.26 116.18 1c6s h ALA 82 Ca 0.47 -0.84 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1c6s h ALA 82 Cb 1.36 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1c6s h ALA 82 CO -0.14 1.12 0.00 0.36 0.00 0.00 0.00 179.25 180.60 1c6s n LYS 83 N -3.29 0.00 0.10 0.00 0.00 0.13 -4.95 118.16 110.15 1c6s n LYS 83 Ca -0.01 0.00 0.08 0.00 -0.00 0.00 0.00 58.31 58.38 1c6s n LYS 83 Cb 0.90 0.00 0.39 0.00 -0.00 0.00 0.00 35.03 36.32 1c6s n LYS 83 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1c6s n GLY 84 N 0.00 -0.79 3.56 2.58 0.00 -0.56 -4.28 105.19 105.69 1c6s n GLY 84 Ca 0.00 0.12 -0.19 0.00 0.00 0.00 0.00 46.02 45.95 1c6s n GLY 84 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1c6s s TRP 85 N -3.34 1.42 0.59 1.61 0.23 -0.22 -4.68 118.94 114.55 1c6s s TRP 85 Ca -0.01 1.45 0.29 0.00 -2.03 0.00 0.00 56.10 55.81 1c6s s TRP 85 Cb 0.05 -3.68 1.25 0.00 0.03 0.00 0.00 33.47 31.13 1c6s s TRP 85 CO 0.15 -1.57 1.61 0.00 0.96 0.00 0.00 176.95 178.10 1c6s h ALA 86 N 12.00 2.66 0.00 0.98 0.00 -1.90 -3.47 119.26 129.52 1c6s h ALA 86 Ca 0.05 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1c6s h ALA 86 Cb 1.00 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1c6s h ALA 86 CO 1.09 -1.30 0.00 0.41 0.00 0.00 0.00 179.25 179.45