#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 -2.05 0.00 0.00 8.00 -1.26 -4.82 116.55 116.42 1c6s n ASP 2 Ca 0.00 0.00 0.04 0.00 0.71 0.00 0.00 54.79 55.54 1c6s n ASP 2 Cb 0.00 -1.24 0.21 0.00 -0.02 0.00 0.00 41.12 40.07 1c6s n ASP 2 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 1c6s n LEU 3 N 0.00 0.00 0.20 0.64 0.00 -1.26 -2.26 117.00 114.32 1c6s n LEU 3 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 56.01 56.09 1c6s n LEU 3 Cb 0.09 0.00 0.33 0.00 0.00 0.00 0.00 43.42 43.84 1c6s n LEU 3 CO 0.00 0.00 0.71 0.00 0.00 0.00 0.00 177.39 178.10 1c6s h ALA 4 N 2.98 0.93 -0.00 1.96 0.00 -1.98 -0.79 119.26 122.36 1c6s h ALA 4 Ca 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1c6s h ALA 4 Cb 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1c6s h ALA 4 CO 0.00 0.38 -0.13 0.09 0.00 0.00 0.00 179.25 179.58 1c6s n ASN 5 N -3.36 0.39 -0.05 0.00 3.02 -0.96 -3.53 115.26 110.77 1c6s n ASN 5 Ca 0.01 -0.38 -0.03 0.00 -0.03 0.00 0.00 54.58 54.15 1c6s n ASN 5 Cb 0.52 -0.10 -0.01 0.00 -0.61 0.00 0.00 39.78 39.57 1c6s n ASN 5 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 1c6s h GLY 6 N 4.97 0.00 -1.14 7.41 0.00 -1.30 -3.28 103.07 109.73 1c6s h GLY 6 Ca 0.00 0.00 0.44 0.00 0.00 0.00 0.00 47.33 47.77 1c6s h GLY 6 CO 0.00 0.00 0.73 0.00 0.00 0.00 0.00 176.54 177.27 1c6s h ALA 7 N -1.17 2.51 -0.12 3.60 0.00 -1.55 1.61 119.26 124.13 1c6s h ALA 7 Ca 0.00 0.19 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 1c6s h ALA 7 Cb 0.32 0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 1c6s h ALA 7 CO 0.00 -1.23 0.06 1.57 0.00 0.00 0.00 179.25 179.66 1c6s h LYS 8 N 0.04 0.17 0.77 0.00 2.10 -1.70 -1.57 116.57 116.38 1c6s h LYS 8 Ca 0.85 -0.02 -0.04 0.00 -2.00 0.00 0.00 60.65 59.44 1c6s h LYS 8 Cb 2.50 -0.03 0.01 0.00 -0.90 0.00 0.00 32.23 33.81 1c6s h LYS 8 CO -0.59 0.21 -0.37 0.28 -2.00 0.00 0.00 179.45 176.98 1c6s h VAL 9 N 0.09 0.08 -0.81 0.07 2.07 0.22 -2.90 116.25 115.07 1c6s h VAL 9 Ca 0.04 -0.20 0.10 0.00 0.82 0.00 0.00 66.70 67.46 1c6s h VAL 9 Cb 0.09 0.10 -0.07 0.00 -1.52 0.00 0.00 31.29 29.88 1c6s h VAL 9 CO -0.01 0.01 0.46 0.15 0.02 0.00 0.00 177.57 178.20 1c6s h PHE 10 N -1.22 0.82 -0.13 1.57 3.04 -1.26 0.54 116.94 120.30 1c6s h PHE 10 Ca -0.11 0.03 0.00 0.00 3.98 0.00 0.00 57.97 61.87 1c6s h PHE 10 Cb 0.81 -0.25 0.00 0.00 2.56 0.00 0.00 35.95 39.07 1c6s h PHE 10 CO -0.00 0.32 0.00 0.43 -2.02 0.00 0.00 178.31 177.04 1c6s n SER 11 N -4.77 1.98 0.00 0.41 7.64 -0.59 -0.60 113.62 117.69 1c6s n SER 11 Ca 0.13 -2.19 0.00 0.00 1.01 0.00 0.00 58.87 57.82 1c6s n SER 11 Cb 0.29 -0.52 0.00 0.00 -1.01 0.00 0.00 64.21 62.96 1c6s n SER 11 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1c6s n GLY 12 N 0.16 0.80 1.74 0.23 0.00 -0.18 -4.93 105.19 103.01 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 0.00 0.02 1.61 3.02 0.00 -4.92 115.26 114.99 1c6s n ASN 13 Ca 0.00 0.00 -0.10 0.00 -0.03 0.00 0.00 54.58 54.45 1c6s n ASN 13 Cb 0.27 0.35 0.04 0.00 -0.61 0.00 0.00 39.78 39.83 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 0.93 1.87 -1.01 0.00 0.00 -1.10 2.35 119.26 122.31 1c6s h ALA 15 Ca -0.01 0.05 0.11 0.00 0.00 0.00 0.00 54.91 55.07 1c6s h ALA 15 Cb 1.17 -0.07 -0.08 0.00 0.00 0.00 0.00 17.79 18.81 1c6s h ALA 15 CO 0.11 -0.21 0.64 0.00 0.00 0.00 0.00 179.25 179.79 1c6s h ALA 16 N 1.63 1.50 -0.02 0.00 0.00 -1.82 0.45 119.26 121.00 1c6s h ALA 16 Ca 0.54 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.46 1c6s h ALA 16 Cb 1.00 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.56 1c6s h ALA 16 CO -0.30 0.27 -0.01 0.00 0.00 0.00 0.00 179.25 179.20 1c6s n HIS 18 N -1.37 0.00 -1.33 0.00 8.25 0.76 -3.32 115.22 118.21 1c6s n HIS 18 Ca 0.16 -0.06 -0.36 0.00 -0.26 0.00 0.00 57.72 57.21 1c6s n HIS 18 Cb 0.66 0.28 0.08 0.00 1.12 0.00 0.00 29.99 32.13 1c6s n HIS 18 CO 0.00 0.00 0.00 -0.12 0.64 0.00 0.00 176.34 176.86 1c6s n MET 19 N 0.00 0.45 -3.15 -0.41 1.56 0.15 -1.17 117.12 114.55 1c6s n MET 19 Ca -0.03 0.21 -0.16 0.00 -0.27 0.00 0.00 57.70 57.44 1c6s n MET 19 Cb 0.52 -2.14 -0.02 0.00 2.15 0.00 0.00 33.22 33.74 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 1.20 -0.47 3.87 -5.12 0.00 -1.26 -0.40 105.19 103.00 1c6s n GLY 20 Ca 0.12 0.04 -0.35 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.81 -0.79 2.72 -0.02 0.00 -0.32 -4.94 105.19 101.02 1c6s n GLY 21 Ca 0.01 0.36 -0.19 0.00 0.00 0.00 0.00 46.02 46.20 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 -3.67 0.08 0.30 -0.02 0.00 0.46 -4.09 107.32 100.39 1c6s s GLY 22 Ca 0.39 -1.00 -0.25 0.00 0.00 0.00 0.00 44.72 43.85 1c6s s GLY 22 CO 0.91 2.63 0.44 -2.01 0.00 0.00 0.00 173.10 175.07 1c6s n ASN 23 N 4.39 -1.43 -0.67 1.64 2.85 -1.26 -4.34 115.26 116.44 1c6s n ASN 23 Ca 0.09 1.01 0.09 0.00 -0.11 0.00 0.00 54.58 55.67 1c6s n ASN 23 Cb 0.44 -0.98 0.06 0.00 1.24 0.00 0.00 39.78 40.54 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 -0.39 0.00 -0.00 3.44 0.24 -1.21 -4.70 118.33 115.71 1c6s n VAL 24 Ca 0.14 -0.45 -0.01 0.00 -2.04 0.00 0.00 64.34 61.98 1c6s n VAL 24 Cb 0.32 1.35 -0.00 0.00 -1.47 0.00 0.00 33.84 34.03 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 0.77 0.49 -1.99 3.34 0.31 -1.26 -4.98 118.33 115.01 1c6s n VAL 25 Ca 0.10 0.24 -0.42 0.00 -0.01 0.00 0.00 64.34 64.25 1c6s n VAL 25 Cb 0.45 -1.47 -0.03 0.00 -0.91 0.00 0.00 33.84 31.88 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 -1.50 4.24 -0.21 5.55 -1.94 -1.26 -4.87 119.30 119.31 1c6s s MET 26 Ca -0.04 2.30 -0.04 0.00 -1.71 0.00 0.00 55.69 56.19 1c6s s MET 26 Cb 0.01 -3.17 -0.07 0.00 2.01 0.00 0.00 34.83 33.61 1c6s s MET 26 CO 0.07 -0.55 3.02 0.00 -0.01 0.00 0.00 175.02 177.55 1c6s n ALA 27 N 3.75 6.11 0.00 3.03 0.00 -1.26 -4.26 120.51 127.88 1c6s n ALA 27 Ca 0.12 -2.15 0.00 0.00 0.00 0.00 0.00 53.44 51.41 1c6s n ALA 27 Cb 0.39 -2.06 0.00 0.00 0.00 0.00 0.00 19.45 17.78 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 1.59 0.00 -4.51 0.00 6.94 -1.26 -5.08 115.26 112.94 1c6s n ASN 28 Ca 0.41 0.00 -0.41 0.00 -0.02 0.00 0.00 54.58 54.55 1c6s n ASN 28 Cb 0.71 0.00 -0.08 0.00 -2.36 0.00 0.00 39.78 38.05 1c6s n ASN 28 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 1c6s n LYS 29 N 0.00 0.76 -4.17 -3.83 5.02 -1.26 -4.80 118.16 109.88 1c6s n LYS 29 Ca 0.00 0.08 -0.28 0.00 -2.02 0.00 0.00 58.31 56.09 1c6s n LYS 29 Cb 0.00 -2.61 -0.04 0.00 -0.02 0.00 0.00 35.03 32.36 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 9.94 1.59 -0.23 -0.18 2.01 -1.26 -4.28 115.64 123.23 1c6s s THR 30 Ca 1.12 -1.67 0.22 0.00 0.31 0.00 0.00 61.69 61.68 1c6s s THR 30 Cb -0.68 -2.26 -0.15 0.00 0.01 0.00 0.00 72.50 69.42 1c6s s THR 30 CO 0.39 0.00 0.82 0.18 -0.69 0.00 0.00 174.62 175.32 1c6s n LEU 31 N -1.55 0.48 0.00 4.42 7.99 -1.26 -4.29 117.00 122.79 1c6s n LEU 31 Ca -0.07 0.13 0.00 0.00 -0.01 0.00 0.00 56.01 56.06 1c6s n LEU 31 Cb 0.65 -0.04 0.00 0.00 -0.11 0.00 0.00 43.42 43.92 1c6s n LEU 31 CO 0.39 -0.07 0.00 0.29 -1.51 0.00 0.00 177.39 176.49 1c6s n LYS 32 N -2.38 0.00 0.00 3.23 5.02 -1.26 -4.60 118.16 118.17 1c6s n LYS 32 Ca -0.01 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.28 1c6s n LYS 32 Cb 0.54 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.55 1c6s n LYS 32 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1c6s n LYS 33 N 0.00 0.05 0.27 1.97 4.81 -1.26 -4.62 118.16 119.38 1c6s n LYS 33 Ca 0.00 0.00 0.10 0.00 -0.87 0.00 0.00 58.31 57.54 1c6s n LYS 33 Cb 0.00 -0.11 0.70 0.00 0.02 0.00 0.00 35.03 35.64 1c6s n LYS 33 CO 0.00 0.00 0.00 1.05 1.17 0.00 0.00 177.40 179.62 1c6s h GLU 34 N 0.00 0.00 0.00 1.64 4.11 -1.95 -1.01 114.58 117.37 1c6s h GLU 34 Ca 0.00 0.00 -0.41 0.00 0.07 0.00 0.00 59.36 59.02 1c6s h GLU 34 Cb 0.00 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.19 1c6s h GLU 34 CO 0.00 0.00 -2.37 0.00 0.07 0.00 0.00 179.01 176.71 1c6s n ALA 35 N -2.49 1.42 -0.02 1.06 0.00 -1.26 -3.70 120.51 115.51 1c6s n ALA 35 Ca -0.03 -0.98 0.02 0.00 0.00 0.00 0.00 53.44 52.45 1c6s n ALA 35 Cb 0.09 0.15 0.37 0.00 0.00 0.00 0.00 19.45 20.06 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 -0.76 0.52 -1.59 0.00 -0.00 -1.74 -0.15 115.31 111.59 1c6s h LEU 36 Ca -0.61 -0.04 0.00 0.00 -0.00 0.00 0.00 57.88 57.23 1c6s h LEU 36 Cb 1.59 -0.13 0.00 0.00 -0.00 0.00 0.00 40.66 42.11 1c6s h LEU 36 CO -0.34 0.43 0.00 -0.62 -0.00 0.00 0.00 178.44 177.92 1c6s n GLU 37 N -4.42 2.03 -0.10 0.17 -0.58 -0.39 -0.81 120.64 116.55 1c6s n GLU 37 Ca 0.03 -1.56 -0.20 0.00 -0.42 0.00 0.00 57.16 55.01 1c6s n GLU 37 Cb 0.10 -1.42 -0.10 0.00 -0.57 0.00 0.00 31.44 29.45 1c6s n GLU 37 CO 0.00 0.00 0.00 0.37 -0.48 0.00 0.00 177.13 177.02 1c6s h GLN 38 N 2.95 0.00 0.00 3.49 5.75 -1.11 -3.41 115.11 122.78 1c6s h GLN 38 Ca 0.00 0.00 -0.15 0.00 -0.15 0.00 0.00 58.65 58.35 1c6s h GLN 38 Cb 0.66 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.18 1c6s h GLN 38 CO 0.00 0.89 -0.83 0.27 -2.65 0.00 0.00 178.83 176.51 1c6s h PHE 39 N -1.00 0.00 0.00 3.99 -5.15 -1.58 -3.50 116.94 109.70 1c6s h PHE 39 Ca -0.31 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.46 1c6s h PHE 39 Cb 1.21 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.38 1c6s h PHE 39 CO 0.07 1.29 0.00 0.41 -2.00 0.00 0.00 178.31 178.08 1c6s n GLY 40 N 1.50 1.49 0.54 6.09 0.00 -0.66 -5.09 105.19 109.06 1c6s n GLY 40 Ca -0.24 -0.27 -0.02 0.00 0.00 0.00 0.00 46.02 45.49 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 -1.00 1.61 0.00 0.01 -4.98 117.12 112.76 1c6s n MET 41 Ca 0.00 -0.23 -0.12 0.00 0.00 0.00 0.00 57.70 57.35 1c6s n MET 41 Cb 0.00 0.39 0.21 0.00 0.00 0.00 0.00 33.22 33.82 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 2.11 -4.27 3.17 9.36 -1.24 -4.57 117.16 121.72 1c6s n TYR 42 Ca -0.06 -1.62 -0.34 0.00 3.32 0.00 0.00 57.90 59.20 1c6s n TYR 42 Cb 0.33 -0.71 -0.09 0.00 -0.63 0.00 0.00 39.34 38.25 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 -1.78 5.29 0.11 2.98 1.04 -1.26 -4.95 113.70 115.14 1c6s s SER 43 Ca 0.51 0.08 -0.33 0.00 0.48 0.00 0.00 55.95 56.69 1c6s s SER 43 Cb 0.44 -1.45 -0.12 0.00 0.10 0.00 0.00 66.02 64.99 1c6s s SER 43 CO 0.07 0.32 1.56 1.05 0.98 0.00 0.00 173.24 177.22 1c6s h GLU 44 N 4.59 -0.64 -0.83 4.02 4.11 -1.93 0.16 114.58 124.06 1c6s h GLU 44 Ca -0.50 0.04 0.24 0.00 0.07 0.00 0.00 59.36 59.22 1c6s h GLU 44 Cb 1.18 0.14 -0.03 0.00 0.50 0.00 0.00 28.75 30.54 1c6s h GLU 44 CO 0.57 -0.42 0.67 0.22 0.07 0.00 0.00 179.01 180.11 1c6s h ASP 45 N -0.66 0.00 0.00 3.06 1.82 -1.96 0.36 116.42 119.04 1c6s h ASP 45 Ca 0.02 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.66 1c6s h ASP 45 Cb 0.71 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.72 1c6s h ASP 45 CO -0.34 0.00 0.00 0.00 -1.61 0.00 0.00 179.24 177.29 1c6s n ALA 46 N -2.60 -0.13 0.16 -0.78 0.00 0.50 -2.79 120.51 114.87 1c6s n ALA 46 Ca 0.17 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.70 1c6s n ALA 46 Cb 0.96 0.00 0.47 0.00 0.00 0.00 0.00 19.45 20.88 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 -1.45 1.19 0.04 0.00 3.06 -0.88 -1.14 119.36 120.18 1c6s n ILE 47 Ca 0.00 0.64 -0.11 0.00 -2.50 0.00 0.00 62.75 60.78 1c6s n ILE 47 Cb 0.00 -1.63 0.01 0.00 0.54 0.00 0.00 39.64 38.56 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 1.36 0.00 9.51 2.04 -0.32 0.80 117.51 130.90 1c6s h ILE 48 Ca 0.00 -2.10 0.00 0.00 1.00 0.00 0.00 64.86 63.76 1c6s h ILE 48 Cb 0.04 2.08 0.00 0.00 -0.74 0.00 0.00 36.82 38.20 1c6s h ILE 48 CO 0.00 0.64 -0.80 0.00 0.00 0.00 0.00 178.15 177.99 1c6s n TYR 49 N -3.86 0.39 0.38 1.37 4.19 -0.29 -2.48 117.16 116.86 1c6s n TYR 49 Ca -0.05 0.11 0.12 0.00 3.31 0.00 0.00 57.90 61.39 1c6s n TYR 49 Cb 0.71 -0.53 0.10 0.00 0.49 0.00 0.00 39.34 40.11 1c6s n TYR 49 CO 0.00 0.00 0.00 0.37 0.91 0.00 0.00 176.86 178.14 1c6s h GLN 50 N 0.00 0.00 0.05 2.98 5.75 -1.08 -3.32 115.11 119.49 1c6s h GLN 50 Ca 0.00 0.00 -0.36 0.00 -0.15 0.00 0.00 58.65 58.14 1c6s h GLN 50 Cb 0.72 0.00 -0.04 0.00 1.07 0.00 0.00 27.48 29.23 1c6s h GLN 50 CO 0.00 0.00 -2.02 0.28 -2.65 0.00 0.00 178.83 174.44 1c6s n VAL 51 N -2.37 1.63 0.15 2.39 0.31 0.26 -1.08 118.33 119.61 1c6s n VAL 51 Ca 0.02 -0.46 0.03 0.00 -0.01 0.00 0.00 64.34 63.92 1c6s n VAL 51 Cb 0.49 -1.75 0.14 0.00 -0.91 0.00 0.00 33.84 31.80 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 -3.75 0.02 -1.20 5.55 6.02 -1.03 -2.70 117.38 120.29 1c6s n GLN 52 Ca -0.38 0.45 -0.06 0.00 -0.01 0.00 0.00 57.00 57.00 1c6s n GLN 52 Cb 0.93 -1.55 -0.04 0.00 1.02 0.00 0.00 30.24 30.60 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 -1.58 -0.17 -0.75 1.08 -0.00 -1.25 -2.02 115.22 110.53 1c6s n HIS 53 Ca 0.01 -0.62 0.00 0.00 -0.00 0.00 0.00 57.72 57.11 1c6s n HIS 53 Cb 0.05 0.54 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 -0.11 2.80 0.00 -1.41 0.00 -0.24 -3.96 105.19 102.27 1c6s n GLY 54 Ca -0.24 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.65 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 -4.06 118.16 132.59 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 -0.14 4.39 3.02 -1.26 -1.70 115.26 119.58 1c6s n ASN 56 Ca 0.00 0.00 0.03 0.00 -0.03 0.00 0.00 54.58 54.58 1c6s n ASN 56 Cb 0.00 0.00 0.04 0.00 -0.61 0.00 0.00 39.78 39.21 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 1.44 1.83 -2.31 5.41 0.00 -1.26 -5.05 120.51 120.57 1c6s n ALA 57 Ca 0.00 -1.30 -0.37 0.00 0.00 0.00 0.00 53.44 51.77 1c6s n ALA 57 Cb 0.00 -0.22 -0.06 0.00 0.00 0.00 0.00 19.45 19.17 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 -1.01 4.10 -0.75 0.00 0.00 -0.69 -5.00 119.30 115.95 1c6s s MET 58 Ca 0.08 0.63 -0.26 0.00 0.00 0.00 0.00 55.69 56.15 1c6s s MET 58 Cb 0.07 -3.09 -0.00 0.00 0.00 0.00 0.00 34.83 31.81 1c6s s MET 58 CO 0.01 0.56 1.64 -1.25 0.00 0.00 0.00 175.02 175.98 1c6s s PRO 59 N -1.51 2.91 -0.32 4.11 0.04 -1.26 -2.84 135.00 136.13 1c6s s PRO 59 Ca 0.33 -0.01 -0.41 0.00 0.04 0.00 0.00 61.00 60.95 1c6s s PRO 59 Cb -0.17 -4.55 -0.16 0.00 0.04 0.00 0.00 34.50 29.66 1c6s s PRO 59 CO 0.19 -2.59 1.77 0.00 0.04 0.00 0.00 177.00 176.41 1c6s n ALA 60 N 11.42 -0.24 -0.10 8.56 0.00 -1.25 -4.00 120.51 134.89 1c6s n ALA 60 Ca 0.20 0.37 -0.21 0.00 0.00 0.00 0.00 53.44 53.80 1c6s n ALA 60 Cb 0.50 -2.20 -0.12 0.00 0.00 0.00 0.00 19.45 17.63 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 7.31 0.01 -4.73 0.00 0.04 -1.60 -3.44 116.94 114.52 1c6s h PHE 61 Ca -0.44 -0.01 -0.25 0.00 2.80 0.00 0.00 57.97 60.07 1c6s h PHE 61 Cb 1.33 -0.00 -0.15 0.00 2.20 0.00 0.00 35.95 39.32 1c6s h PHE 61 CO 0.77 1.42 -0.37 0.00 -0.60 0.00 0.00 178.31 179.53 1c6s n ALA 62 N -3.28 -0.52 0.00 2.45 0.00 -0.86 -2.73 120.51 115.57 1c6s n ALA 62 Ca -0.29 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.07 1c6s n ALA 62 Cb 0.65 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 19.11 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 -0.76 0.13 0.09 0.00 0.00 -1.26 -4.95 105.19 98.44 1c6s n GLY 63 Ca 0.04 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.96 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 0.66 -2.99 1.61 0.00 -1.11 -4.63 116.66 110.20 1c6s n ARG 64 Ca 0.00 0.19 -0.44 0.00 -0.00 0.00 0.00 57.85 57.60 1c6s n ARG 64 Cb 0.00 -1.69 -0.03 0.00 0.00 0.00 0.00 32.46 30.74 1c6s n ARG 64 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 1c6s s LEU 65 N -5.96 5.16 1.01 6.15 2.01 -1.26 -5.02 118.68 120.76 1c6s s LEU 65 Ca -0.08 -1.74 -0.26 0.00 0.01 0.00 0.00 54.13 52.06 1c6s s LEU 65 Cb 0.07 -2.36 -0.17 0.00 0.01 0.00 0.00 46.19 43.74 1c6s s LEU 65 CO 0.82 -1.11 -1.33 0.41 1.01 0.00 0.00 176.35 176.14 1c6s n THR 66 N 5.45 0.00 0.35 5.49 -1.04 -1.26 -3.90 114.28 119.37 1c6s n THR 66 Ca 0.09 -0.09 -0.17 0.00 -2.04 0.00 0.00 64.05 61.84 1c6s n THR 66 Cb 0.47 -0.05 -0.09 0.00 -1.82 0.00 0.00 70.33 68.84 1c6s n THR 66 CO 0.00 0.00 0.00 -2.24 -0.64 0.00 0.00 175.07 172.19 1c6s h ASP 67 N -1.09 -1.15 0.00 8.00 2.03 -1.97 0.11 116.42 122.36 1c6s h ASP 67 Ca -0.41 0.07 0.00 0.00 -0.73 0.00 0.00 57.03 55.96 1c6s h ASP 67 Cb 1.38 0.35 0.00 0.00 -0.83 0.00 0.00 39.33 40.23 1c6s h ASP 67 CO 0.23 -0.66 0.00 -0.62 -1.03 0.00 0.00 179.24 177.16 1c6s n GLU 68 N -5.20 0.03 -0.12 4.15 1.02 -1.26 -1.73 120.64 117.54 1c6s n GLU 68 Ca -0.13 0.00 -0.21 0.00 -0.02 0.00 0.00 57.16 56.81 1c6s n GLU 68 Cb 0.44 -1.32 -0.09 0.00 -0.02 0.00 0.00 31.44 30.44 1c6s n GLU 68 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1c6s n GLN 69 N -0.82 0.53 0.26 3.49 3.00 0.23 -0.59 117.38 123.47 1c6s n GLN 69 Ca 0.01 0.18 0.18 0.00 -0.01 0.00 0.00 57.00 57.35 1c6s n GLN 69 Cb 0.00 -1.39 0.87 0.00 0.00 0.00 0.00 30.24 29.72 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 -0.44 0.20 0.00 5.09 1.08 -0.24 0.78 117.51 123.99 1c6s h ILE 70 Ca -0.55 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 63.92 1c6s h ILE 70 Cb 1.64 0.77 0.00 0.00 -3.07 0.00 0.00 36.82 36.16 1c6s h ILE 70 CO -0.23 0.00 -0.26 0.00 -0.69 0.00 0.00 178.15 176.97 1c6s n GLN 71 N -3.33 0.20 0.04 2.37 3.00 -1.15 -3.87 117.38 114.64 1c6s n GLN 71 Ca 0.00 0.31 -0.13 0.00 -0.01 0.00 0.00 57.00 57.17 1c6s n GLN 71 Cb 0.36 -1.10 -0.09 0.00 0.00 0.00 0.00 30.24 29.41 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 -0.43 -1.43 -1.37 1.08 3.32 -0.42 0.37 116.42 117.54 1c6s h ASP 72 Ca 0.00 0.16 0.40 0.00 0.02 0.00 0.00 57.03 57.61 1c6s h ASP 72 Cb 0.26 0.55 -0.05 0.00 0.22 0.00 0.00 39.33 40.30 1c6s h ASP 72 CO 0.00 -0.44 1.03 1.62 -1.72 0.00 0.00 179.24 179.72 1c6s h VAL 73 N -0.56 0.26 0.00 -1.35 3.04 0.37 1.57 116.25 119.58 1c6s h VAL 73 Ca 0.01 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.70 1c6s h VAL 73 Cb 0.61 0.28 0.00 0.00 -2.01 0.00 0.00 31.29 30.17 1c6s h VAL 73 CO -0.32 0.00 0.00 0.00 -1.01 0.00 0.00 177.57 176.24 1c6s n ALA 74 N -2.75 0.00 -0.12 3.17 0.00 0.11 -2.41 120.51 118.50 1c6s n ALA 74 Ca 0.30 -0.01 0.27 0.00 0.00 0.00 0.00 53.44 54.00 1c6s n ALA 74 Cb 1.46 0.00 0.59 0.00 0.00 0.00 0.00 19.45 21.50 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 2.68 0.63 0.00 0.00 -0.44 0.93 119.26 121.07 1c6s h ALA 75 Ca 0.00 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 1c6s h ALA 75 Cb 0.00 0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1c6s h ALA 75 CO 0.00 -1.34 -0.35 -0.92 0.00 0.00 0.00 179.25 176.64 1c6s h TYR 76 N 0.00 -0.91 0.00 0.00 5.03 0.22 0.14 116.97 121.45 1c6s h TYR 76 Ca 0.40 -0.01 -0.02 0.00 2.58 0.00 0.00 58.73 61.68 1c6s h TYR 76 Cb 2.21 0.31 -0.00 0.00 1.55 0.00 0.00 36.73 40.80 1c6s h TYR 76 CO 0.00 -0.54 -0.07 -0.24 -1.32 0.00 0.00 178.16 175.99 1c6s h VAL 77 N -0.91 0.67 0.00 1.81 3.04 0.12 0.15 116.25 121.13 1c6s h VAL 77 Ca -0.08 -0.30 0.00 0.00 -1.01 0.00 0.00 66.70 65.31 1c6s h VAL 77 Cb 0.72 1.18 0.00 0.00 -2.01 0.00 0.00 31.29 31.18 1c6s h VAL 77 CO 0.11 0.07 0.00 0.18 -1.01 0.00 0.00 177.57 176.92 1c6s n LEU 78 N -3.89 0.12 -0.13 3.16 4.77 -0.20 -2.23 117.00 118.60 1c6s n LEU 78 Ca -0.02 0.52 -0.22 0.00 -0.03 0.00 0.00 56.01 56.25 1c6s n LEU 78 Cb 0.17 -0.49 -0.11 0.00 -2.33 0.00 0.00 43.42 40.66 1c6s n LEU 78 CO 0.30 -0.13 -1.35 -0.67 -1.33 0.00 0.00 177.39 174.21 1c6s n ASP 79 N -1.62 1.98 -0.16 -1.43 -0.08 0.40 -4.16 116.55 111.48 1c6s n ASP 79 Ca 0.06 0.04 -0.11 0.00 -1.51 0.00 0.00 54.79 53.27 1c6s n ASP 79 Cb 0.29 -0.57 -0.00 0.00 2.34 0.00 0.00 41.12 43.17 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 -0.35 0.88 -0.26 -0.67 1.08 -1.26 0.64 115.11 115.18 1c6s h GLN 80 Ca -0.61 -0.33 -0.00 0.00 -1.45 0.00 0.00 58.65 56.25 1c6s h GLN 80 Cb 1.80 -0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 29.16 1c6s h GLN 80 CO -0.20 0.98 0.15 0.00 -0.95 0.00 0.00 178.83 178.81 1c6s h ALA 81 N 0.88 0.33 -0.23 3.87 0.00 -1.68 0.48 119.26 122.91 1c6s h ALA 81 Ca 0.12 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1c6s h ALA 81 Cb 0.64 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1c6s h ALA 81 CO 0.04 -0.17 0.00 0.00 0.00 0.00 0.00 179.25 179.13 1c6s n ALA 82 N -2.19 2.48 -0.79 0.00 0.00 -1.18 -3.72 120.51 115.11 1c6s n ALA 82 Ca -0.02 -0.45 0.01 0.00 0.00 0.00 0.00 53.44 52.98 1c6s n ALA 82 Cb 0.05 -1.02 0.02 0.00 0.00 0.00 0.00 19.45 18.50 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 0.21 1.28 -1.50 0.00 4.81 0.21 -5.03 118.16 118.13 1c6s n LYS 83 Ca 0.11 -1.23 0.00 0.00 -0.87 0.00 0.00 58.31 56.31 1c6s n LYS 83 Cb 0.23 -0.83 0.00 0.00 0.02 0.00 0.00 35.03 34.46 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 -0.56 2.51 3.14 0.00 0.21 -4.69 105.19 105.42 1c6s n GLY 84 Ca 0.02 -0.14 -0.17 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.66 0.03 -0.29 1.61 7.02 0.14 -4.66 117.44 120.63 1c6s n TRP 85 Ca 0.00 0.02 0.10 0.00 -1.02 0.00 0.00 57.50 56.60 1c6s n TRP 85 Cb 0.16 -0.46 0.33 0.00 -2.42 0.00 0.00 31.31 28.92 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 7.95 1.71 0.00 6.99 0.00 -1.83 -3.44 119.26 130.63 1c6s h ALA 86 Ca 0.02 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1c6s h ALA 86 Cb 0.82 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1c6s h ALA 86 CO 1.16 0.06 0.00 0.41 0.00 0.00 0.00 179.25 180.88