#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cuq s SER 2 N 0.00 4.44 -0.21 1.61 1.04 -1.26 -5.07 113.70 114.25 2cuq s SER 2 Ca 0.00 -0.77 -0.29 0.00 0.48 0.00 0.00 55.95 55.37 2cuq s SER 2 Cb 0.00 -1.71 0.14 0.00 0.10 0.00 0.00 66.02 64.55 2cuq s SER 2 CO 0.00 -0.12 1.11 -0.55 0.98 0.00 0.00 173.24 174.65 2cuq s SER 3 N 1.38 -0.29 0.00 7.02 0.15 -1.26 -5.19 113.70 115.51 2cuq s SER 3 Ca 0.01 0.37 0.00 0.00 0.70 0.00 0.00 55.95 57.03 2cuq s SER 3 Cb -0.16 0.31 0.00 0.00 -1.71 0.00 0.00 66.02 64.46 2cuq s SER 3 CO -0.03 -0.23 0.00 0.61 1.20 0.00 0.00 173.24 174.79 2cuq n GLY 4 N 0.93 -1.08 3.59 9.45 0.00 -1.26 -5.19 105.19 111.63 2cuq n GLY 4 Ca -0.08 -0.76 -0.05 0.00 0.00 0.00 0.00 46.02 45.12 2cuq n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2cuq s SER 5 N -4.00 -0.24 0.33 1.61 1.04 -1.26 -5.19 113.70 105.99 2cuq s SER 5 Ca 0.00 -0.10 0.09 0.00 0.48 0.00 0.00 55.95 56.41 2cuq s SER 5 Cb 0.00 0.33 -0.06 0.00 0.10 0.00 0.00 66.02 66.39 2cuq s SER 5 CO 0.00 -0.56 -0.08 -0.94 0.98 0.00 0.00 173.24 172.64 2cuq s SER 6 N -2.57 3.48 0.00 7.02 1.04 -1.26 -5.09 113.70 116.32 2cuq s SER 6 Ca 0.08 -1.21 0.00 0.00 0.48 0.00 0.00 55.95 55.30 2cuq s SER 6 Cb -0.00 -0.30 0.00 0.00 0.10 0.00 0.00 66.02 65.81 2cuq s SER 6 CO -0.05 -0.26 0.00 0.61 0.98 0.00 0.00 173.24 174.52 2cuq n GLY 7 N -0.75 -0.32 3.66 7.32 0.00 -1.26 -5.12 105.19 108.72 2cuq n GLY 7 Ca -0.05 0.32 -0.43 0.00 0.00 0.00 0.00 46.02 45.87 2cuq n GLY 7 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2cuq s PRO 8 N 0.00 4.18 -0.17 1.61 0.04 -1.26 -5.01 135.00 134.39 2cuq s PRO 8 Ca 0.00 1.99 -0.03 0.00 0.04 0.00 0.00 61.00 63.01 2cuq s PRO 8 Cb 0.00 -3.92 -0.02 0.00 0.04 0.00 0.00 34.50 30.61 2cuq s PRO 8 CO 0.00 -0.83 -0.07 0.00 0.04 0.00 0.00 177.00 176.14 2cuq s TYR 10 N 0.80 -0.00 -0.67 0.00 -0.85 -1.26 -5.11 117.35 110.26 2cuq s TYR 10 Ca -0.02 -0.57 0.03 0.00 -0.52 0.00 0.00 57.07 55.99 2cuq s TYR 10 Cb -0.15 0.78 0.16 0.00 0.38 0.00 0.00 41.96 43.13 2cuq s TYR 10 CO 0.01 -1.38 0.46 -1.21 -1.52 0.00 0.00 175.55 171.92 2cuq s GLU 11 N -2.90 2.46 -0.42 -3.49 0.41 -1.26 -5.05 118.70 108.45 2cuq s GLU 11 Ca 0.14 -3.02 -0.27 0.00 -0.41 0.00 0.00 54.97 51.41 2cuq s GLU 11 Cb -0.05 -3.52 -0.07 0.00 -1.78 0.00 0.00 34.13 28.71 2cuq s GLU 11 CO 0.09 -1.21 2.36 0.27 -0.49 0.00 0.00 175.26 176.27 2cuq n ASN 12 N 2.57 2.50 -3.58 -0.19 6.94 -1.26 -4.89 115.26 117.35 2cuq n ASN 12 Ca 0.14 -0.20 -0.16 0.00 -0.02 0.00 0.00 54.58 54.34 2cuq n ASN 12 Cb 0.35 -1.53 -0.07 0.00 -2.36 0.00 0.00 39.78 36.18 2cuq n ASN 12 CO 0.00 0.00 0.00 -1.59 -1.03 0.00 0.00 177.26 174.64 2cuq s LYS 13 N 7.59 0.94 -0.00 -3.83 0.00 -1.26 -5.04 119.74 118.14 2cuq s LYS 13 Ca 1.02 0.55 0.03 0.00 0.00 0.00 0.00 55.97 57.57 2cuq s LYS 13 Cb -0.32 0.45 -0.04 0.00 0.00 0.00 0.00 37.83 37.92 2cuq s LYS 13 CO 0.32 -0.22 0.14 1.19 0.00 0.00 0.00 175.35 176.77 2cuq n PHE 14 N 1.71 0.00 -3.77 1.78 3.01 -1.26 -5.06 117.46 113.87 2cuq n PHE 14 Ca -0.17 0.00 -0.10 0.00 1.01 0.00 0.00 57.45 58.19 2cuq n PHE 14 Cb 0.56 -0.00 -0.05 0.00 -0.01 0.00 0.00 39.48 39.98 2cuq n PHE 14 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2cuq s ALA 15 N -1.36 -0.66 1.02 4.37 0.00 -1.26 -5.16 121.76 118.71 2cuq s ALA 15 Ca 0.01 -0.36 -0.13 0.00 0.00 0.00 0.00 51.96 51.48 2cuq s ALA 15 Cb 0.03 0.78 0.20 0.00 0.00 0.00 0.00 23.12 24.13 2cuq s ALA 15 CO 0.14 -0.70 1.09 -1.25 0.00 0.00 0.00 175.76 175.04 2cuq s PRO 16 N -3.88 0.29 -0.03 0.00 0.04 -1.26 -4.84 135.00 125.32 2cuq s PRO 16 Ca 0.09 0.48 -0.02 0.00 0.04 0.00 0.00 61.00 61.58 2cuq s PRO 16 Cb 0.01 -1.72 0.01 0.00 0.04 0.00 0.00 34.50 32.84 2cuq s PRO 16 CO -0.05 -2.82 0.07 1.03 0.04 0.00 0.00 177.00 175.27 2cuq s ARG 17 N -4.97 0.08 -0.18 4.56 0.52 -1.26 -1.78 118.95 115.91 2cuq s ARG 17 Ca 0.66 0.10 -0.42 0.00 -0.52 0.00 0.00 55.73 55.55 2cuq s ARG 17 Cb -0.19 0.03 -0.19 0.00 0.52 0.00 0.00 34.95 35.12 2cuq s ARG 17 CO 0.58 -0.02 1.32 0.00 0.02 0.00 0.00 175.30 177.20 2cuq h ALA 19 N 4.08 1.00 0.00 0.00 0.00 -0.22 2.20 119.26 126.33 2cuq h ALA 19 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.43 2cuq h ALA 19 Cb 1.39 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.18 2cuq h ALA 19 CO 0.79 0.00 -0.50 -2.13 0.00 0.00 0.00 179.25 177.41 2cuq n ARG 20 N -2.66 0.42 0.03 0.00 3.00 -1.26 -4.69 116.66 111.50 2cuq n ARG 20 Ca -0.02 0.49 -0.22 0.00 -0.00 0.00 0.00 57.85 58.10 2cuq n ARG 20 Cb 0.08 -1.61 -0.14 0.00 0.00 0.00 0.00 32.46 30.79 2cuq n ARG 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2cuq n SER 22 N -3.54 -2.30 0.00 0.00 2.88 0.74 -4.92 113.62 106.48 2cuq n SER 22 Ca -0.29 -0.37 0.00 0.00 -1.33 0.00 0.00 58.87 56.88 2cuq n SER 22 Cb 1.05 -3.22 0.00 0.00 -0.75 0.00 0.00 64.21 61.29 2cuq n SER 22 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2cuq n LYS 23 N -2.80 0.00 -3.51 -1.46 5.02 -1.26 -4.77 118.16 109.37 2cuq n LYS 23 Ca -0.16 0.02 -0.10 0.00 -2.02 0.00 0.00 58.31 56.05 2cuq n LYS 23 Cb 0.60 -0.33 -0.03 0.00 -0.02 0.00 0.00 35.03 35.25 2cuq n LYS 23 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2cuq s THR 24 N -0.60 0.00 -0.11 -0.18 -4.23 -1.26 -4.83 115.64 104.43 2cuq s THR 24 Ca 0.00 0.00 -0.10 0.00 -1.18 0.00 0.00 61.69 60.41 2cuq s THR 24 Cb 0.00 -1.00 0.03 0.00 1.34 0.00 0.00 72.50 72.87 2cuq s THR 24 CO 0.00 0.00 0.29 -0.76 -0.54 0.00 0.00 174.62 173.61 2cuq s LEU 25 N -2.09 0.87 0.24 4.79 1.43 -0.74 -4.47 118.68 118.71 2cuq s LEU 25 Ca 0.02 0.59 0.04 0.00 -1.03 0.00 0.00 54.13 53.75 2cuq s LEU 25 Cb -0.01 1.00 -0.05 0.00 0.03 0.00 0.00 46.19 47.16 2cuq s LEU 25 CO -0.05 -0.10 -0.02 0.42 0.23 0.00 0.00 176.35 176.82 2cuq s THR 26 N 0.19 1.18 -0.36 5.49 -4.23 -1.26 -4.41 115.64 112.23 2cuq s THR 26 Ca -0.00 -2.05 -0.32 0.00 -1.18 0.00 0.00 61.69 58.13 2cuq s THR 26 Cb -0.02 -2.34 -0.14 0.00 1.34 0.00 0.00 72.50 71.34 2cuq s THR 26 CO 0.00 -0.34 1.53 0.00 -0.54 0.00 0.00 174.62 175.27 2cuq n GLN 27 N -0.45 0.00 0.00 3.99 6.02 -1.26 -1.78 117.38 123.91 2cuq n GLN 27 Ca -0.05 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.94 2cuq n GLN 27 Cb 0.64 -1.09 0.00 0.00 1.02 0.00 0.00 30.24 30.81 2cuq n GLN 27 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2cuq n GLY 28 N 5.30 2.53 1.62 1.08 0.00 -1.26 -5.13 105.19 109.32 2cuq n GLY 28 Ca 0.39 -0.33 -0.11 0.00 0.00 0.00 0.00 46.02 45.97 2cuq n GLY 28 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2cuq n GLY 29 N 0.00 -2.59 3.44 -0.02 0.00 -0.73 -4.96 105.19 100.32 2cuq n GLY 29 Ca 0.00 -0.85 -0.23 0.00 0.00 0.00 0.00 46.02 44.95 2cuq n GLY 29 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2cuq s VAL 30 N -1.41 0.53 -0.02 1.61 -7.23 -1.12 -4.96 120.40 107.79 2cuq s VAL 30 Ca 0.24 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.41 2cuq s VAL 30 Cb -0.04 -2.45 0.03 0.00 0.56 0.00 0.00 36.38 34.48 2cuq s VAL 30 CO 0.20 0.00 0.02 0.28 -0.31 0.00 0.00 175.10 175.29 2cuq s THR 31 N -3.34 0.02 -0.13 5.32 -1.32 -1.26 -0.36 115.64 114.56 2cuq s THR 31 Ca 0.30 0.16 0.00 0.00 -1.21 0.00 0.00 61.69 60.94 2cuq s THR 31 Cb 0.04 -0.14 0.02 0.00 -1.51 0.00 0.00 72.50 70.91 2cuq s THR 31 CO 0.16 0.10 -0.13 -0.47 -2.21 0.00 0.00 174.62 172.07 2cuq s TYR 32 N 0.97 2.01 -0.75 9.09 5.04 0.31 -4.76 117.35 129.26 2cuq s TYR 32 Ca -0.09 -1.08 -0.02 0.00 -2.44 0.00 0.00 57.07 53.45 2cuq s TYR 32 Cb -0.12 -1.50 0.00 0.00 0.35 0.00 0.00 41.96 40.69 2cuq s TYR 32 CO -0.02 -0.61 0.64 0.54 -1.34 0.00 0.00 175.55 174.76 2cuq n ARG 33 N 4.70 -4.26 -3.16 4.97 5.12 -1.26 -2.96 116.66 119.81 2cuq n ARG 33 Ca -0.17 0.50 -0.23 0.00 -1.93 0.00 0.00 57.85 56.03 2cuq n ARG 33 Cb 0.50 -4.51 0.04 0.00 -1.16 0.00 0.00 32.46 27.33 2cuq n ARG 33 CO 0.00 0.00 0.00 -3.47 -1.93 0.00 0.00 177.63 172.23 2cuq n ASP 34 N -1.88 -6.01 -3.76 0.55 2.03 -1.26 -4.98 116.55 101.24 2cuq n ASP 34 Ca -0.11 -0.35 -0.13 0.00 0.52 0.00 0.00 54.79 54.72 2cuq n ASP 34 Cb 0.58 -4.84 -0.09 0.00 -0.72 0.00 0.00 41.12 36.05 2cuq n ASP 34 CO 0.00 0.00 0.00 -1.10 -1.92 0.00 0.00 177.20 174.18 2cuq s GLN 35 N -5.85 0.59 0.10 -0.67 -0.21 -1.16 -5.14 119.66 107.32 2cuq s GLN 35 Ca 0.37 0.03 -0.31 0.00 0.02 0.00 0.00 55.36 55.47 2cuq s GLN 35 Cb -0.17 0.27 -0.07 0.00 1.00 0.00 0.00 33.01 34.04 2cuq s GLN 35 CO 0.45 -0.14 1.37 -1.25 -2.12 0.00 0.00 175.29 173.60 2cuq s PRO 36 N -0.85 4.33 0.08 2.91 0.04 -1.26 0.11 135.00 140.36 2cuq s PRO 36 Ca -0.09 2.03 0.04 0.00 0.04 0.00 0.00 61.00 63.02 2cuq s PRO 36 Cb -0.04 -3.29 -0.03 0.00 0.04 0.00 0.00 34.50 31.17 2cuq s PRO 36 CO 0.03 -0.43 -0.12 -1.58 0.04 0.00 0.00 177.00 174.94 2cuq s TRP 37 N 1.23 1.10 -0.19 0.56 0.52 0.51 0.58 118.94 123.26 2cuq s TRP 37 Ca 0.64 -0.53 -0.29 0.00 0.02 0.00 0.00 56.10 55.93 2cuq s TRP 37 Cb -0.36 -0.61 -0.00 0.00 -1.15 0.00 0.00 33.47 31.35 2cuq s TRP 37 CO 0.30 0.03 1.14 -1.01 0.02 0.00 0.00 176.95 177.42 2cuq s HIS 38 N -1.72 3.14 0.60 -1.98 3.76 -1.26 -2.81 115.29 115.01 2cuq s HIS 38 Ca -0.00 1.27 0.30 0.00 -0.15 0.00 0.00 55.06 56.48 2cuq s HIS 38 Cb -0.07 -3.37 1.12 0.00 1.11 0.00 0.00 32.58 31.36 2cuq s HIS 38 CO 0.01 -1.03 1.43 0.00 -0.85 0.00 0.00 174.74 174.31 2cuq h ARG 39 N 7.74 0.00 0.10 1.40 3.08 -1.93 0.88 114.38 125.65 2cuq h ARG 39 Ca -0.24 0.00 -0.30 0.00 0.07 0.00 0.00 59.98 59.52 2cuq h ARG 39 Cb 1.09 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.12 2cuq h ARG 39 CO 0.96 0.00 -1.58 1.49 -1.07 0.00 0.00 179.97 179.77 2cuq h GLU 40 N 0.00 0.20 0.03 0.04 4.81 -2.02 -3.39 114.58 114.25 2cuq h GLU 40 Ca 0.52 -0.34 -0.00 0.00 -0.13 0.00 0.00 59.36 59.40 2cuq h GLU 40 Cb 2.80 0.13 0.00 0.00 0.63 0.00 0.00 28.75 32.31 2cuq h GLU 40 CO -0.01 1.16 -0.02 0.00 -0.73 0.00 0.00 179.01 179.42 2cuq n LEU 42 N -5.02 0.19 -4.02 0.00 7.94 0.59 -4.82 117.00 111.87 2cuq n LEU 42 Ca -0.08 -1.36 -0.09 0.00 -1.11 0.00 0.00 56.01 53.37 2cuq n LEU 42 Cb 0.13 -1.18 -0.11 0.00 0.53 0.00 0.00 43.42 42.79 2cuq n LEU 42 CO 0.33 -2.31 -0.37 0.68 -1.11 0.00 0.00 177.39 174.62 2cuq s VAL 43 N 8.72 0.20 0.97 1.96 -7.23 -1.26 -2.71 120.40 121.05 2cuq s VAL 43 Ca 0.91 -1.13 -0.15 0.00 -1.81 0.00 0.00 61.98 59.80 2cuq s VAL 43 Cb -0.32 -0.57 -0.06 0.00 0.56 0.00 0.00 36.38 35.98 2cuq s VAL 43 CO 0.24 -0.59 -0.21 0.00 -0.31 0.00 0.00 175.10 174.23 2cuq n THR 45 N -3.02 0.00 -0.06 0.00 -1.04 -1.04 -3.00 114.28 106.11 2cuq n THR 45 Ca 0.02 -0.05 -0.11 0.00 -2.04 0.00 0.00 64.05 61.87 2cuq n THR 45 Cb 0.55 0.81 -0.04 0.00 -1.82 0.00 0.00 70.33 69.83 2cuq n THR 45 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2cuq n GLY 46 N 1.48 -0.35 0.03 3.41 0.00 -1.26 -4.73 105.19 103.76 2cuq n GLY 46 Ca 0.06 -0.18 0.11 0.00 0.00 0.00 0.00 46.02 46.01 2cuq n GLY 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2cuq n GLN 48 N -2.01 -5.23 -3.80 0.00 1.13 -1.16 -4.95 117.38 101.35 2cuq n GLN 48 Ca 0.01 0.61 -0.36 0.00 -1.94 0.00 0.00 57.00 55.32 2cuq n GLN 48 Cb 0.45 -4.95 -0.06 0.00 0.11 0.00 0.00 30.24 25.80 2cuq n GLN 48 CO 0.00 0.00 0.00 -0.08 -1.44 0.00 0.00 177.06 175.54 2cuq s THR 49 N -3.25 5.39 -0.36 5.09 -1.32 -1.26 -4.60 115.64 115.33 2cuq s THR 49 Ca 0.18 0.27 -0.28 0.00 -1.21 0.00 0.00 61.69 60.65 2cuq s THR 49 Cb -0.08 -3.49 -0.01 0.00 -1.51 0.00 0.00 72.50 67.41 2cuq s THR 49 CO 0.53 0.54 1.71 -2.16 -2.21 0.00 0.00 174.62 173.03 2cuq s PRO 50 N -1.24 3.36 -0.01 7.08 0.04 -1.26 -0.33 135.00 142.62 2cuq s PRO 50 Ca 0.20 1.27 0.09 0.00 0.04 0.00 0.00 61.00 62.60 2cuq s PRO 50 Cb -0.13 -4.17 0.29 0.00 0.04 0.00 0.00 34.50 30.54 2cuq s PRO 50 CO 0.09 -1.83 1.21 1.28 0.04 0.00 0.00 177.00 177.79 2cuq n LEU 51 N 10.05 1.89 -4.51 -3.56 4.77 -1.10 -4.88 117.00 119.65 2cuq n LEU 51 Ca 0.21 -0.95 -0.40 0.00 -0.03 0.00 0.00 56.01 54.85 2cuq n LEU 51 Cb 0.47 -0.26 -0.12 0.00 -2.33 0.00 0.00 43.42 41.17 2cuq n LEU 51 CO 0.69 0.42 2.19 0.00 -1.33 0.00 0.00 177.39 179.36 2cuq n ALA 52 N 0.41 0.40 -2.82 -1.18 0.00 -1.26 0.11 120.51 116.17 2cuq n ALA 52 Ca 0.11 -0.42 -0.13 0.00 0.00 0.00 0.00 53.44 53.00 2cuq n ALA 52 Cb 0.32 -2.47 0.03 0.00 0.00 0.00 0.00 19.45 17.33 2cuq n ALA 52 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2cuq n GLY 53 N 6.39 0.06 3.39 0.00 0.00 -1.26 -5.03 105.19 108.74 2cuq n GLY 53 Ca 0.60 -0.24 -0.24 0.00 0.00 0.00 0.00 46.02 46.14 2cuq n GLY 53 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2cuq s GLN 54 N -5.35 1.44 -0.39 1.61 0.74 0.30 -5.10 119.66 112.92 2cuq s GLN 54 Ca 0.22 -1.52 -0.29 0.00 0.05 0.00 0.00 55.36 53.82 2cuq s GLN 54 Cb -0.10 -1.61 0.02 0.00 1.10 0.00 0.00 33.01 32.42 2cuq s GLN 54 CO 0.27 0.33 1.24 -1.14 -0.55 0.00 0.00 175.29 175.44 2cuq s GLN 55 N -2.87 3.79 0.36 1.67 -0.44 -1.26 -4.97 119.66 115.94 2cuq s GLN 55 Ca 0.20 0.92 -0.02 0.00 -2.50 0.00 0.00 55.36 53.97 2cuq s GLN 55 Cb -0.06 -3.90 0.01 0.00 -1.64 0.00 0.00 33.01 27.41 2cuq s GLN 55 CO 0.09 -1.28 0.50 -0.59 0.50 0.00 0.00 175.29 174.51 2cuq s PHE 56 N 4.55 1.11 0.07 1.67 -0.12 -1.26 -4.28 117.98 119.72 2cuq s PHE 56 Ca 0.53 -1.34 0.02 0.00 -0.05 0.00 0.00 56.93 56.09 2cuq s PHE 56 Cb -0.12 -0.07 -0.03 0.00 -0.63 0.00 0.00 43.02 42.17 2cuq s PHE 56 CO 0.27 -1.19 -0.07 -0.08 -0.05 0.00 0.00 175.22 174.10 2cuq s THR 57 N -2.88 0.62 -0.12 -4.49 -1.32 -0.67 -4.97 115.64 101.82 2cuq s THR 57 Ca 0.30 -1.59 -0.04 0.00 -1.21 0.00 0.00 61.69 59.16 2cuq s THR 57 Cb -0.01 -1.25 -0.04 0.00 -1.51 0.00 0.00 72.50 69.70 2cuq s THR 57 CO 0.22 -0.68 0.03 -0.94 -2.21 0.00 0.00 174.62 171.04 2cuq s SER 58 N -2.45 5.43 -0.03 8.08 1.04 -1.26 -0.27 113.70 124.23 2cuq s SER 58 Ca 0.03 0.15 0.02 0.00 0.48 0.00 0.00 55.95 56.62 2cuq s SER 58 Cb -0.01 -1.69 0.01 0.00 0.10 0.00 0.00 66.02 64.43 2cuq s SER 58 CO -0.03 0.32 -0.07 -0.13 0.98 0.00 0.00 173.24 174.31 2cuq s ARG 59 N -0.50 0.90 -1.63 4.02 1.81 0.72 -4.81 118.95 119.46 2cuq s ARG 59 Ca 0.09 -0.21 -0.17 0.00 -1.72 0.00 0.00 55.73 53.72 2cuq s ARG 59 Cb -0.12 -0.86 0.13 0.00 -0.45 0.00 0.00 34.95 33.66 2cuq s ARG 59 CO 0.02 0.02 0.85 -0.25 -0.68 0.00 0.00 175.30 175.27 2cuq n ASP 60 N 3.62 -3.92 -2.82 0.23 9.92 -1.26 -0.89 116.55 121.44 2cuq n ASP 60 Ca -0.21 -0.90 -0.14 0.00 -0.53 0.00 0.00 54.79 53.00 2cuq n ASP 60 Cb 0.53 -3.17 0.07 0.00 -0.64 0.00 0.00 41.12 37.91 2cuq n ASP 60 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 2cuq n GLU 61 N -4.47 -5.18 -3.67 -1.24 1.02 -1.26 -5.03 120.64 100.81 2cuq n GLU 61 Ca 0.07 0.63 -0.09 0.00 -0.02 0.00 0.00 57.16 57.75 2cuq n GLU 61 Cb 0.50 -5.02 -0.09 0.00 -0.02 0.00 0.00 31.44 26.81 2cuq n GLU 61 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2cuq s ASP 62 N -3.85 -0.70 -0.30 1.62 1.11 -0.07 -5.12 116.67 109.36 2cuq s ASP 62 Ca 0.10 1.17 -0.29 0.00 0.18 0.00 0.00 52.55 53.71 2cuq s ASP 62 Cb -0.04 1.09 -0.02 0.00 1.07 0.00 0.00 42.92 45.02 2cuq s ASP 62 CO 0.55 -0.21 1.67 -2.16 1.18 0.00 0.00 175.17 176.19 2cuq s PRO 63 N 1.59 3.54 -0.11 8.23 0.04 -1.26 -0.20 135.00 146.82 2cuq s PRO 63 Ca -0.09 1.43 0.03 0.00 0.04 0.00 0.00 61.00 62.41 2cuq s PRO 63 Cb -0.07 -4.11 0.00 0.00 0.04 0.00 0.00 34.50 30.36 2cuq s PRO 63 CO -0.16 -1.61 -0.22 0.71 0.04 0.00 0.00 177.00 175.76 2cuq s TYR 64 N 6.05 2.61 0.60 0.56 2.02 0.63 -2.50 117.35 127.33 2cuq s TYR 64 Ca 0.74 -1.07 -0.16 0.00 -0.37 0.00 0.00 57.07 56.21 2cuq s TYR 64 Cb -0.22 -1.75 -0.03 0.00 -0.40 0.00 0.00 41.96 39.56 2cuq s TYR 64 CO 0.32 -0.44 1.08 0.00 -1.57 0.00 0.00 175.55 174.93 2cuq h VAL 66 N 0.41 0.49 -0.85 0.00 2.07 -1.93 0.44 116.25 116.88 2cuq h VAL 66 Ca -0.47 -0.10 -0.03 0.00 0.82 0.00 0.00 66.70 66.92 2cuq h VAL 66 Cb 1.23 0.17 -0.04 0.00 -1.52 0.00 0.00 31.29 31.13 2cuq h VAL 66 CO 0.56 0.05 0.42 0.00 0.02 0.00 0.00 177.57 178.63 2cuq h ALA 67 N 1.58 1.13 0.00 1.67 0.00 -1.94 -2.18 119.26 119.52 2cuq h ALA 67 Ca 0.59 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 55.26 2cuq h ALA 67 Cb 1.70 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 19.14 2cuq h ALA 67 CO -0.23 0.66 -0.44 0.00 0.00 0.00 0.00 179.25 179.24 2cuq h PHE 69 N -1.00 -0.31 -0.51 0.00 3.57 -0.43 0.80 116.94 119.07 2cuq h PHE 69 Ca -0.12 0.07 -0.24 0.00 3.53 0.00 0.00 57.97 61.20 2cuq h PHE 69 Cb 1.08 0.26 -0.15 0.00 2.79 0.00 0.00 35.95 39.94 2cuq h PHE 69 CO 0.21 -0.31 0.31 0.41 -2.23 0.00 0.00 178.31 176.70 2cuq n GLY 70 N -1.48 3.21 0.71 2.40 0.00 -0.82 -2.98 105.19 106.22 2cuq n GLY 70 Ca 0.12 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.57 2cuq n GLY 70 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2cuq n GLU 71 N -0.29 0.00 -0.05 1.61 4.07 0.23 -4.63 120.64 121.58 2cuq n GLU 71 Ca 0.30 0.00 -0.02 0.00 -0.06 0.00 0.00 57.16 57.38 2cuq n GLU 71 Cb 1.08 -0.42 -0.02 0.00 -0.06 0.00 0.00 31.44 32.02 2cuq n GLU 71 CO 0.00 0.00 0.00 -0.07 -0.06 0.00 0.00 177.13 177.00 2cuq h LEU 72 N 0.00 0.00 0.05 4.31 4.07 -0.45 -3.38 115.31 119.91 2cuq h LEU 72 Ca 0.00 -0.12 -0.19 0.00 0.08 0.00 0.00 57.88 57.64 2cuq h LEU 72 Cb 0.25 0.00 0.02 0.00 1.08 0.00 0.00 40.66 42.01 2cuq h LEU 72 CO 0.00 0.60 -0.79 -0.26 -1.08 0.00 0.00 178.44 176.91 2cuq h PHE 73 N -1.00 0.69 -2.28 1.13 0.04 -1.73 -3.38 116.94 110.42 2cuq h PHE 73 Ca -0.00 -0.41 -0.75 0.00 2.80 0.00 0.00 57.97 59.60 2cuq h PHE 73 Cb 0.18 -0.06 -0.19 0.00 2.20 0.00 0.00 35.95 38.08 2cuq h PHE 73 CO 0.01 1.26 1.31 0.00 -0.60 0.00 0.00 178.31 180.29 2cuq n ALA 74 N -2.63 4.09 -0.09 2.45 0.00 -1.16 -4.73 120.51 118.44 2cuq n ALA 74 Ca -0.12 -4.31 -0.15 0.00 0.00 0.00 0.00 53.44 48.86 2cuq n ALA 74 Cb 0.77 -2.96 -0.06 0.00 0.00 0.00 0.00 19.45 17.20 2cuq n ALA 74 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2cuq n SER 75 N 5.03 1.86 -4.05 0.00 2.88 -1.26 -3.82 113.62 114.26 2cuq n SER 75 Ca 0.35 0.49 -0.35 0.00 -1.33 0.00 0.00 58.87 58.04 2cuq n SER 75 Cb 0.41 -0.89 -0.10 0.00 -0.75 0.00 0.00 64.21 62.89 2cuq n SER 75 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2cuq s GLY 76 N -4.70 2.59 -0.80 0.46 0.00 -1.26 -5.04 107.32 98.57 2cuq s GLY 76 Ca -0.25 -3.37 -0.25 0.00 0.00 0.00 0.00 44.72 40.85 2cuq s GLY 76 CO 0.41 1.09 1.92 2.56 0.00 0.00 0.00 173.10 179.08 2cuq s PRO 77 N -0.35 2.58 -1.62 2.90 0.04 -1.26 -3.70 135.00 133.59 2cuq s PRO 77 Ca 0.19 0.01 -0.15 0.00 0.04 0.00 0.00 61.00 61.09 2cuq s PRO 77 Cb -0.19 -4.83 0.12 0.00 0.04 0.00 0.00 34.50 29.63 2cuq s PRO 77 CO -0.04 -3.16 0.82 0.45 0.04 0.00 0.00 177.00 175.11 2cuq n SER 78 N 13.57 -3.50 -4.85 6.66 2.88 -1.26 -4.93 113.62 122.18 2cuq n SER 78 Ca 0.33 -0.93 -0.34 0.00 -1.33 0.00 0.00 58.87 56.60 2cuq n SER 78 Cb 0.49 -3.17 -0.06 0.00 -0.75 0.00 0.00 64.21 60.72 2cuq n SER 78 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2cuq s SER 79 N -3.41 6.75 0.00 -3.46 0.15 -1.24 -5.30 113.70 107.19 2cuq s SER 79 Ca 0.64 1.03 0.00 0.00 0.70 0.00 0.00 55.95 58.32 2cuq s SER 79 Cb -0.34 -2.27 0.00 0.00 -1.71 0.00 0.00 66.02 61.70 2cuq s SER 79 CO 0.89 0.04 0.00 0.61 1.20 0.00 0.00 173.24 175.98