#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cuq n SER 2 N 0.00 5.46 -4.94 1.61 7.64 -1.26 -4.86 113.62 117.27 2cuq n SER 2 Ca 0.00 -2.51 -0.20 0.00 1.01 0.00 0.00 58.87 57.17 2cuq n SER 2 Cb 0.00 -1.19 -0.01 0.00 -1.01 0.00 0.00 64.21 62.00 2cuq n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2cuq s SER 3 N 1.79 5.25 -0.05 6.43 0.01 -1.26 -5.13 113.70 120.73 2cuq s SER 3 Ca 0.20 -0.67 0.00 0.00 1.31 0.00 0.00 55.95 56.79 2cuq s SER 3 Cb 0.11 -0.47 0.02 0.00 0.21 0.00 0.00 66.02 65.89 2cuq s SER 3 CO -0.01 -0.78 -0.03 -0.83 0.41 0.00 0.00 173.24 172.01 2cuq s GLY 4 N -4.26 0.43 -0.24 3.44 0.00 -1.26 -5.13 107.32 100.29 2cuq s GLY 4 Ca 0.51 -0.04 -0.26 0.00 0.00 0.00 0.00 44.72 44.92 2cuq s GLY 4 CO 0.30 0.66 0.76 -0.56 0.00 0.00 0.00 173.10 174.26 2cuq s SER 5 N 1.23 -0.69 0.12 1.64 0.01 -1.26 -5.18 113.70 109.57 2cuq s SER 5 Ca -0.06 1.24 0.07 0.00 1.31 0.00 0.00 55.95 58.51 2cuq s SER 5 Cb -0.14 1.23 -0.04 0.00 0.21 0.00 0.00 66.02 67.29 2cuq s SER 5 CO -0.02 -0.29 -0.17 -0.94 0.41 0.00 0.00 173.24 172.23 2cuq s SER 6 N 0.10 2.28 -0.62 2.44 1.04 -1.26 -5.09 113.70 112.59 2cuq s SER 6 Ca -0.01 -0.76 0.06 0.00 0.48 0.00 0.00 55.95 55.72 2cuq s SER 6 Cb -0.04 -0.11 0.26 0.00 0.10 0.00 0.00 66.02 66.23 2cuq s SER 6 CO 0.01 -0.05 0.76 0.61 0.98 0.00 0.00 173.24 175.56 2cuq n GLY 7 N 0.75 4.81 3.73 7.32 0.00 -1.26 -5.08 105.19 115.46 2cuq n GLY 7 Ca -0.17 -2.71 -0.42 0.00 0.00 0.00 0.00 46.02 42.72 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 -2.54 4.36 -1.12 1.61 0.04 -1.26 -4.95 135.00 131.15 2cuq s PRO 8 Ca 0.41 2.04 -0.18 0.00 0.04 0.00 0.00 61.00 63.30 2cuq s PRO 8 Cb 0.17 -3.23 0.11 0.00 0.04 0.00 0.00 34.50 31.58 2cuq s PRO 8 CO -0.03 -0.34 1.44 0.00 0.04 0.00 0.00 177.00 178.11 2cuq n TYR 10 N 7.31 1.44 -1.90 0.00 4.02 -1.26 -4.86 117.16 121.90 2cuq n TYR 10 Ca 0.36 0.39 -0.39 0.00 -0.01 0.00 0.00 57.90 58.25 2cuq n TYR 10 Cb 0.47 -2.47 0.01 0.00 -0.02 0.00 0.00 39.34 37.33 2cuq n TYR 10 CO 0.00 0.00 0.00 -1.83 -1.01 0.00 0.00 176.86 174.02 2cuq s GLU 11 N 6.35 3.67 0.00 -0.72 1.03 -1.26 -4.93 118.70 122.84 2cuq s GLU 11 Ca 1.13 2.26 0.00 0.00 0.03 0.00 0.00 54.97 58.39 2cuq s GLU 11 Cb -1.01 -2.59 0.00 0.00 -0.80 0.00 0.00 34.13 29.73 2cuq s GLU 11 CO 0.52 -0.77 0.00 0.09 -1.33 0.00 0.00 175.26 173.77 2cuq n ASN 12 N -0.27 1.48 -4.66 0.83 3.02 -1.26 -5.04 115.26 109.36 2cuq n ASN 12 Ca 0.06 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.19 2cuq n ASN 12 Cb 0.43 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.57 2cuq n ASN 12 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2cuq s LYS 13 N -1.74 4.08 -0.87 3.52 3.01 -1.26 -4.93 119.74 121.55 2cuq s LYS 13 Ca 0.00 2.56 -0.14 0.00 -1.01 0.00 0.00 55.97 57.37 2cuq s LYS 13 Cb 0.00 -4.17 0.21 0.00 -1.01 0.00 0.00 37.83 32.86 2cuq s LYS 13 CO 0.00 -1.02 0.86 0.12 0.51 0.00 0.00 175.35 175.82 2cuq s PHE 14 N 4.68 3.70 -0.09 3.18 5.36 -1.26 -4.98 117.98 128.58 2cuq s PHE 14 Ca 0.88 -1.96 -0.30 0.00 -0.96 0.00 0.00 56.93 54.60 2cuq s PHE 14 Cb -0.42 -3.90 0.11 0.00 -0.34 0.00 0.00 43.02 38.47 2cuq s PHE 14 CO 0.41 -1.07 0.89 0.00 -1.46 0.00 0.00 175.22 173.99 2cuq s ALA 15 N 0.46 -1.86 0.72 11.12 0.00 -1.26 -5.04 121.76 125.90 2cuq s ALA 15 Ca 0.22 1.36 -0.12 0.00 0.00 0.00 0.00 51.96 53.41 2cuq s ALA 15 Cb -0.09 -0.24 0.03 0.00 0.00 0.00 0.00 23.12 22.82 2cuq s ALA 15 CO -0.09 -0.43 1.10 -1.25 0.00 0.00 0.00 175.76 175.09 2cuq s PRO 16 N -1.69 2.48 -0.01 0.00 0.04 -1.26 -4.78 135.00 129.77 2cuq s PRO 16 Ca -0.02 1.26 0.03 0.00 0.04 0.00 0.00 61.00 62.31 2cuq s PRO 16 Cb -0.01 -1.92 -0.01 0.00 0.04 0.00 0.00 34.50 32.61 2cuq s PRO 16 CO 0.00 -1.48 -0.10 1.03 0.04 0.00 0.00 177.00 176.49 2cuq s ARG 17 N -4.56 0.89 -0.23 4.56 0.52 -1.26 -0.28 118.95 118.59 2cuq s ARG 17 Ca 0.64 -0.36 -0.43 0.00 -0.52 0.00 0.00 55.73 55.06 2cuq s ARG 17 Cb -0.19 -0.85 -0.20 0.00 0.52 0.00 0.00 34.95 34.24 2cuq s ARG 17 CO 0.50 0.20 1.36 0.00 0.02 0.00 0.00 175.30 177.38 2cuq h ALA 19 N 4.23 1.00 0.00 0.00 0.00 -0.43 2.27 119.26 126.33 2cuq h ALA 19 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.44 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 0.82 0.00 -0.36 -0.09 0.00 0.00 0.00 179.25 179.62 2cuq h ARG 20 N 0.00 0.00 0.14 0.00 9.65 -1.86 -3.43 114.38 118.89 2cuq h ARG 20 Ca 0.00 0.00 -0.35 0.00 -1.10 0.00 0.00 59.98 58.53 2cuq h ARG 20 Cb 0.03 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 28.60 2cuq h ARG 20 CO 0.00 0.00 -1.87 0.00 2.80 0.00 0.00 179.97 180.90 2cuq n SER 22 N -3.50 -2.33 0.00 0.00 2.88 0.76 -4.92 113.62 106.52 2cuq n SER 22 Ca -0.28 -0.37 0.00 0.00 -1.33 0.00 0.00 58.87 56.89 2cuq n SER 22 Cb 1.06 -3.31 0.00 0.00 -0.75 0.00 0.00 64.21 61.21 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 -2.94 0.00 -3.62 -1.46 4.76 -1.26 -4.76 118.16 108.88 2cuq n LYS 23 Ca -0.16 0.08 -0.08 0.00 -2.87 0.00 0.00 58.31 55.29 2cuq n LYS 23 Cb 0.60 -0.41 -0.06 0.00 -1.84 0.00 0.00 35.03 33.32 2cuq n LYS 23 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 2cuq s THR 24 N -0.42 0.00 -0.28 -0.18 -4.23 -1.26 -4.85 115.64 104.42 2cuq s THR 24 Ca 0.00 0.00 0.18 0.00 -1.18 0.00 0.00 61.69 60.69 2cuq s THR 24 Cb 0.00 -1.00 0.49 0.00 1.34 0.00 0.00 72.50 73.33 2cuq s THR 24 CO 0.00 0.00 1.11 0.18 -0.54 0.00 0.00 174.62 175.37 2cuq n LEU 25 N 1.31 2.39 -0.29 4.79 4.77 0.62 -4.68 117.00 125.91 2cuq n LEU 25 Ca -0.09 -3.55 -0.05 0.00 -0.03 0.00 0.00 56.01 52.28 2cuq n LEU 25 Cb 0.57 0.26 -0.03 0.00 -2.33 0.00 0.00 43.42 41.89 2cuq n LEU 25 CO 0.08 1.37 0.37 0.35 -1.33 0.00 0.00 177.39 178.23 2cuq n THR 26 N -0.55 -0.45 -3.73 -5.08 -2.24 -1.26 -4.58 114.28 96.39 2cuq n THR 26 Ca 0.16 1.72 -0.14 0.00 -2.27 0.00 0.00 64.05 63.53 2cuq n THR 26 Cb 0.83 -2.18 -0.08 0.00 -2.10 0.00 0.00 70.33 66.80 2cuq n THR 26 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2cuq s GLN 27 N -5.48 0.70 -0.07 -0.78 0.00 -1.26 -4.98 119.66 107.79 2cuq s GLN 27 Ca -0.09 -0.06 -0.02 0.00 -0.00 0.00 0.00 55.36 55.19 2cuq s GLN 27 Cb 0.10 0.32 0.00 0.00 0.00 0.00 0.00 33.01 33.43 2cuq s GLN 27 CO 0.47 -0.19 0.06 0.41 0.00 0.00 0.00 175.29 176.04 2cuq n GLY 28 N 1.36 -1.91 1.91 2.60 0.00 -1.26 -5.11 105.19 102.79 2cuq n GLY 28 Ca -0.20 0.02 -0.04 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.18 1.33 3.35 -0.02 0.00 -1.26 -4.82 105.19 103.59 2cuq n GLY 29 Ca 0.01 -1.11 -0.20 0.00 0.00 0.00 0.00 46.02 44.72 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 -2.48 0.25 -0.05 1.61 -7.23 -1.03 -4.92 120.40 106.55 2cuq s VAL 30 Ca 0.09 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.25 2cuq s VAL 30 Cb -0.02 -2.47 0.03 0.00 0.56 0.00 0.00 36.38 34.48 2cuq s VAL 30 CO 0.05 0.00 0.02 0.28 -0.31 0.00 0.00 175.10 175.14 2cuq s THR 31 N -3.49 0.13 -0.19 5.32 -1.32 -1.26 -0.33 115.64 114.51 2cuq s THR 31 Ca 0.35 0.23 -0.01 0.00 -1.21 0.00 0.00 61.69 61.05 2cuq s THR 31 Cb 0.04 -0.31 0.01 0.00 -1.51 0.00 0.00 72.50 70.72 2cuq s THR 31 CO 0.20 0.19 -0.14 -0.47 -2.21 0.00 0.00 174.62 172.19 2cuq s TYR 32 N 1.77 2.83 -1.00 9.09 6.14 0.40 -4.71 117.35 131.87 2cuq s TYR 32 Ca 0.01 -1.34 -0.02 0.00 0.64 0.00 0.00 57.07 56.36 2cuq s TYR 32 Cb -0.13 -1.97 -0.03 0.00 0.42 0.00 0.00 41.96 40.25 2cuq s TYR 32 CO -0.03 -0.68 0.85 0.54 0.64 0.00 0.00 175.55 176.87 2cuq n ARG 33 N 4.59 -4.17 -3.45 4.97 1.74 -1.26 -2.60 116.66 116.49 2cuq n ARG 33 Ca -0.20 0.76 -0.25 0.00 -0.77 0.00 0.00 57.85 57.39 2cuq n ARG 33 Cb 0.51 -5.42 0.02 0.00 -1.02 0.00 0.00 32.46 26.54 2cuq n ARG 33 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 2cuq n ASP 34 N -2.95 -4.73 -3.77 0.55 8.00 -1.26 -4.96 116.55 107.43 2cuq n ASP 34 Ca -0.17 -0.49 -0.13 0.00 0.71 0.00 0.00 54.79 54.71 2cuq n ASP 34 Cb 0.63 -3.84 -0.10 0.00 -0.02 0.00 0.00 41.12 37.79 2cuq n ASP 34 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 2cuq s GLN 35 N -6.13 0.43 0.09 -1.24 -0.21 -1.07 -5.14 119.66 106.39 2cuq s GLN 35 Ca 0.46 0.28 -0.31 0.00 0.02 0.00 0.00 55.36 55.81 2cuq s GLN 35 Cb -0.23 0.20 -0.07 0.00 1.00 0.00 0.00 33.01 33.91 2cuq s GLN 35 CO 0.57 -0.07 1.38 -1.25 -2.12 0.00 0.00 175.29 173.80 2cuq s PRO 36 N -0.19 4.32 0.09 2.91 0.04 -1.26 0.15 135.00 141.07 2cuq s PRO 36 Ca -0.03 2.04 0.04 0.00 0.04 0.00 0.00 61.00 63.08 2cuq s PRO 36 Cb -0.03 -3.31 -0.03 0.00 0.04 0.00 0.00 34.50 31.16 2cuq s PRO 36 CO 0.01 -0.45 -0.11 -1.58 0.04 0.00 0.00 177.00 174.92 2cuq s TRP 37 N 1.32 1.10 -0.27 0.56 0.52 0.56 0.38 118.94 123.11 2cuq s TRP 37 Ca 0.64 -0.60 -0.29 0.00 0.02 0.00 0.00 56.10 55.88 2cuq s TRP 37 Cb -0.35 -0.60 0.01 0.00 -1.15 0.00 0.00 33.47 31.37 2cuq s TRP 37 CO 0.30 0.02 1.04 -1.01 0.02 0.00 0.00 176.95 177.31 2cuq s HIS 38 N -2.13 3.26 0.27 -1.98 3.76 -1.26 -2.47 115.29 114.74 2cuq s HIS 38 Ca 0.03 1.33 0.13 0.00 -0.15 0.00 0.00 55.06 56.40 2cuq s HIS 38 Cb -0.05 -3.42 0.92 0.00 1.11 0.00 0.00 32.58 31.14 2cuq s HIS 38 CO 0.01 -0.59 1.19 0.54 -0.85 0.00 0.00 174.74 175.04 2cuq n ARG 39 N 6.52 -0.05 -0.04 1.40 1.74 -1.26 0.12 116.66 125.09 2cuq n ARG 39 Ca 0.11 1.06 -0.13 0.00 -0.77 0.00 0.00 57.85 58.12 2cuq n ARG 39 Cb 0.47 -1.85 -0.11 0.00 -1.02 0.00 0.00 32.46 29.94 2cuq n ARG 39 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 2cuq h GLU 40 N 0.00 0.00 0.04 5.56 5.08 -1.99 -3.33 114.58 119.94 2cuq h GLU 40 Ca 0.60 -0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.98 2cuq h GLU 40 Cb 1.53 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.75 2cuq h GLU 40 CO -0.61 0.69 -0.17 0.00 -1.00 0.00 0.00 179.01 177.92 2cuq n LEU 42 N -5.30 0.04 -4.09 0.00 7.94 0.11 -4.82 117.00 110.88 2cuq n LEU 42 Ca -0.06 -1.05 -0.08 0.00 -1.11 0.00 0.00 56.01 53.72 2cuq n LEU 42 Cb 0.21 -1.07 -0.10 0.00 0.53 0.00 0.00 43.42 42.99 2cuq n LEU 42 CO 0.26 -2.04 -0.36 0.68 -1.11 0.00 0.00 177.39 174.82 2cuq s VAL 43 N 7.11 0.26 0.94 1.96 -7.23 -1.26 -2.64 120.40 119.55 2cuq s VAL 43 Ca 1.09 -1.73 -0.12 0.00 -1.81 0.00 0.00 61.98 59.41 2cuq s VAL 43 Cb -0.48 -1.41 0.09 0.00 0.56 0.00 0.00 36.38 35.14 2cuq s VAL 43 CO 0.32 -0.94 0.75 0.00 -0.31 0.00 0.00 175.10 174.93 2cuq n THR 45 N -3.93 0.04 -0.06 0.00 -1.04 -1.06 -3.03 114.28 105.20 2cuq n THR 45 Ca 0.09 -0.07 -0.08 0.00 -2.04 0.00 0.00 64.05 61.95 2cuq n THR 45 Cb 0.53 0.55 -0.03 0.00 -1.82 0.00 0.00 70.33 69.56 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 1.46 -0.40 0.08 3.41 0.00 -1.26 -4.72 105.19 103.77 2cuq n GLY 46 Ca 0.04 -0.23 0.12 0.00 0.00 0.00 0.00 46.02 45.95 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 -2.40 -4.82 -3.96 0.00 1.13 -1.17 -4.95 117.38 101.22 2cuq n GLN 48 Ca 0.01 0.58 -0.36 0.00 -1.94 0.00 0.00 57.00 55.29 2cuq n GLN 48 Cb 0.51 -4.81 -0.06 0.00 0.11 0.00 0.00 30.24 25.98 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 -3.24 5.29 -0.42 5.09 -1.32 -1.26 -4.60 115.64 115.18 2cuq s THR 49 Ca 0.12 0.02 -0.28 0.00 -1.21 0.00 0.00 61.69 60.34 2cuq s THR 49 Cb -0.05 -3.35 -0.01 0.00 -1.51 0.00 0.00 72.50 67.58 2cuq s THR 49 CO 0.50 0.52 1.75 -2.16 -2.21 0.00 0.00 174.62 173.02 2cuq s PRO 50 N -1.29 3.18 -0.02 7.08 0.04 -1.26 -0.55 135.00 142.18 2cuq s PRO 50 Ca 0.18 1.11 0.05 0.00 0.04 0.00 0.00 61.00 62.38 2cuq s PRO 50 Cb -0.12 -4.22 0.16 0.00 0.04 0.00 0.00 34.50 30.36 2cuq s PRO 50 CO 0.08 -2.06 1.02 1.28 0.04 0.00 0.00 177.00 177.36 2cuq n LEU 51 N 10.73 1.31 -4.51 -3.56 4.77 -1.08 -4.87 117.00 119.78 2cuq n LEU 51 Ca 0.21 -0.66 -0.37 0.00 -0.03 0.00 0.00 56.01 55.17 2cuq n LEU 51 Cb 0.48 -0.25 -0.13 0.00 -2.33 0.00 0.00 43.42 41.19 2cuq n LEU 51 CO 0.70 0.27 2.13 0.00 -1.33 0.00 0.00 177.39 179.15 2cuq n ALA 52 N 0.05 0.50 -2.76 -1.18 0.00 -1.26 0.96 120.51 116.82 2cuq n ALA 52 Ca 0.06 -0.53 -0.12 0.00 0.00 0.00 0.00 53.44 52.85 2cuq n ALA 52 Cb 0.25 -2.53 0.02 0.00 0.00 0.00 0.00 19.45 17.19 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 6.29 0.09 3.39 0.00 0.00 -1.26 -5.04 105.19 108.67 2cuq n GLY 53 Ca 0.59 -0.28 -0.25 0.00 0.00 0.00 0.00 46.02 46.08 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 -5.27 1.44 -0.34 1.61 0.74 0.27 -5.10 119.66 113.01 2cuq s GLN 54 Ca 0.19 -1.49 -0.29 0.00 0.05 0.00 0.00 55.36 53.82 2cuq s GLN 54 Cb -0.09 -1.66 0.01 0.00 1.10 0.00 0.00 33.01 32.37 2cuq s GLN 54 CO 0.24 0.35 1.31 -1.14 -0.55 0.00 0.00 175.29 175.50 2cuq s GLN 55 N -2.74 3.82 0.36 1.67 2.00 -1.26 -4.97 119.66 118.54 2cuq s GLN 55 Ca 0.19 1.11 -0.02 0.00 -2.00 0.00 0.00 55.36 54.64 2cuq s GLN 55 Cb -0.07 -3.91 0.01 0.00 0.80 0.00 0.00 33.01 29.83 2cuq s GLN 55 CO 0.09 -1.25 0.51 1.97 -0.50 0.00 0.00 175.29 176.11 2cuq n PHE 56 N 7.93 -1.50 -4.04 1.67 1.16 -1.26 -4.20 117.46 117.22 2cuq n PHE 56 Ca 0.15 -2.42 -0.09 0.00 -1.87 0.00 0.00 57.45 53.22 2cuq n PHE 56 Cb 0.47 0.58 -0.11 0.00 -1.61 0.00 0.00 39.48 38.81 2cuq n PHE 56 CO 0.00 0.00 0.00 -0.08 -1.87 0.00 0.00 176.76 174.81 2cuq s THR 57 N -2.81 0.24 -0.09 1.97 -1.32 -0.61 -4.96 115.64 108.05 2cuq s THR 57 Ca 0.30 -1.30 -0.04 0.00 -1.21 0.00 0.00 61.69 59.44 2cuq s THR 57 Cb -0.01 -0.81 -0.04 0.00 -1.51 0.00 0.00 72.50 70.13 2cuq s THR 57 CO 0.21 -0.68 0.06 -0.44 -2.21 0.00 0.00 174.62 171.57 2cuq s SER 58 N -2.06 5.71 -0.01 8.08 0.01 -1.26 -0.10 113.70 124.06 2cuq s SER 58 Ca -0.06 0.27 0.00 0.00 1.31 0.00 0.00 55.95 57.47 2cuq s SER 58 Cb -0.03 -1.71 0.02 0.00 0.21 0.00 0.00 66.02 64.51 2cuq s SER 58 CO -0.04 0.38 0.00 -0.60 0.41 0.00 0.00 173.24 173.39 2cuq s ARG 59 N -1.02 0.11 -1.61 12.44 6.06 0.72 -4.84 118.95 130.80 2cuq s ARG 59 Ca 0.15 0.06 -0.16 0.00 -2.50 0.00 0.00 55.73 53.27 2cuq s ARG 59 Cb -0.12 -0.24 0.13 0.00 0.06 0.00 0.00 34.95 34.78 2cuq s ARG 59 CO 0.04 -0.07 0.85 -0.25 -2.50 0.00 0.00 175.30 173.37 2cuq n ASP 60 N 3.68 -3.98 -2.85 -2.12 9.92 -1.26 -0.82 116.55 119.12 2cuq n ASP 60 Ca -0.21 -0.87 -0.15 0.00 -0.53 0.00 0.00 54.79 53.03 2cuq n ASP 60 Cb 0.54 -3.22 0.07 0.00 -0.64 0.00 0.00 41.12 37.87 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 -4.45 -5.39 -3.67 -1.24 1.02 -1.26 -5.03 120.64 100.62 2cuq n GLU 61 Ca 0.06 0.64 -0.08 0.00 -0.02 0.00 0.00 57.16 57.76 2cuq n GLU 61 Cb 0.51 -5.06 -0.09 0.00 -0.02 0.00 0.00 31.44 26.77 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 -3.76 -0.66 -0.28 1.62 1.11 -0.00 -5.13 116.67 109.58 2cuq s ASP 62 Ca 0.15 1.17 -0.29 0.00 0.18 0.00 0.00 52.55 53.76 2cuq s ASP 62 Cb -0.07 1.23 -0.02 0.00 1.07 0.00 0.00 42.92 45.14 2cuq s ASP 62 CO 0.55 -0.22 1.64 -2.16 1.18 0.00 0.00 175.17 176.17 2cuq s PRO 63 N 1.87 3.64 -0.11 8.23 0.04 -1.26 -0.20 135.00 147.21 2cuq s PRO 63 Ca -0.08 1.51 0.03 0.00 0.04 0.00 0.00 61.00 62.50 2cuq s PRO 63 Cb -0.09 -4.08 -0.00 0.00 0.04 0.00 0.00 34.50 30.37 2cuq s PRO 63 CO -0.16 -1.49 -0.22 0.71 0.04 0.00 0.00 177.00 175.88 2cuq s TYR 64 N 5.72 2.61 0.61 0.56 2.02 0.86 -2.57 117.35 127.16 2cuq s TYR 64 Ca 0.73 -1.05 -0.16 0.00 -0.37 0.00 0.00 57.07 56.22 2cuq s TYR 64 Cb -0.23 -1.75 -0.03 0.00 -0.40 0.00 0.00 41.96 39.56 2cuq s TYR 64 CO 0.31 -0.43 1.08 0.00 -1.57 0.00 0.00 175.55 174.94 2cuq h VAL 66 N 0.39 0.52 -0.63 0.00 2.07 -1.93 0.47 116.25 117.14 2cuq h VAL 66 Ca -0.47 -0.10 -0.04 0.00 0.82 0.00 0.00 66.70 66.91 2cuq h VAL 66 Cb 1.23 0.21 -0.03 0.00 -1.52 0.00 0.00 31.29 31.18 2cuq h VAL 66 CO 0.56 0.05 0.23 0.00 0.02 0.00 0.00 177.57 178.44 2cuq h ALA 67 N 1.57 1.23 0.00 1.67 0.00 -1.93 -2.18 119.26 119.62 2cuq h ALA 67 Ca 0.56 -0.17 -0.11 0.00 0.00 0.00 0.00 54.91 55.19 2cuq h ALA 67 Cb 1.64 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 19.16 2cuq h ALA 67 CO -0.20 0.56 -0.64 0.00 0.00 0.00 0.00 179.25 178.96 2cuq h PHE 69 N -1.00 -0.12 -0.54 0.00 3.57 -0.45 0.81 116.94 119.20 2cuq h PHE 69 Ca -0.17 0.06 -0.26 0.00 3.53 0.00 0.00 57.97 61.14 2cuq h PHE 69 Cb 1.05 0.18 -0.15 0.00 2.79 0.00 0.00 35.95 39.81 2cuq h PHE 69 CO 0.14 -0.28 0.33 0.41 -2.23 0.00 0.00 178.31 176.67 2cuq n GLY 70 N -1.45 3.28 0.45 2.40 0.00 -0.82 -3.22 105.19 105.84 2cuq n GLY 70 Ca 0.14 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.33 0.00 -0.04 1.61 4.07 0.24 -4.66 120.64 121.52 2cuq n GLU 71 Ca 0.32 0.00 -0.01 0.00 -0.06 0.00 0.00 57.16 57.41 2cuq n GLU 71 Cb 1.13 -0.50 -0.00 0.00 -0.06 0.00 0.00 31.44 32.01 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 -0.18 4.31 4.07 -0.51 -3.40 115.31 119.59 2cuq h LEU 72 Ca 0.00 0.00 -0.11 0.00 0.08 0.00 0.00 57.88 57.85 2cuq h LEU 72 Cb 0.25 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.99 2cuq h LEU 72 CO 0.00 0.45 -0.32 -0.26 -1.08 0.00 0.00 178.44 177.23 2cuq h PHE 73 N -0.81 0.68 -1.66 1.13 0.04 -1.74 -3.38 116.94 111.20 2cuq h PHE 73 Ca 0.00 -0.24 -0.65 0.00 2.80 0.00 0.00 57.97 59.88 2cuq h PHE 73 Cb 0.10 -0.13 -0.13 0.00 2.20 0.00 0.00 35.95 37.99 2cuq h PHE 73 CO -0.04 0.96 1.29 0.00 -0.60 0.00 0.00 178.31 179.92 2cuq s ALA 74 N -4.09 3.09 0.00 2.45 0.00 -1.20 -4.99 121.76 117.02 2cuq s ALA 74 Ca -0.13 -2.57 -0.22 0.00 0.00 0.00 0.00 51.96 49.04 2cuq s ALA 74 Cb 0.07 -4.33 -0.05 0.00 0.00 0.00 0.00 23.12 18.81 2cuq s ALA 74 CO 0.81 -3.30 0.65 -1.12 0.00 0.00 0.00 175.76 172.80 2cuq s SER 75 N 4.27 7.03 0.08 0.00 0.01 -1.26 -4.03 113.70 119.80 2cuq s SER 75 Ca 0.41 1.23 0.00 0.00 1.31 0.00 0.00 55.95 58.90 2cuq s SER 75 Cb -0.02 -2.39 0.00 0.00 0.21 0.00 0.00 66.02 63.82 2cuq s SER 75 CO -0.08 0.06 0.00 0.61 0.41 0.00 0.00 173.24 174.24 2cuq n GLY 76 N 2.51 0.53 3.72 3.44 0.00 -1.26 -5.08 105.19 109.05 2cuq n GLY 76 Ca -0.05 -1.84 -0.30 0.00 0.00 0.00 0.00 46.02 43.83 2cuq n GLY 76 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2cuq s PRO 77 N 0.83 1.37 -0.39 1.61 0.04 -1.26 -5.03 135.00 132.16 2cuq s PRO 77 Ca 0.00 0.86 0.04 0.00 0.04 0.00 0.00 61.00 61.94 2cuq s PRO 77 Cb 0.00 -1.82 0.11 0.00 0.04 0.00 0.00 34.50 32.83 2cuq s PRO 77 CO 0.00 -2.17 0.11 -1.12 0.04 0.00 0.00 177.00 173.86 2cuq s SER 78 N -3.42 4.62 0.25 6.66 0.01 -1.26 -5.08 113.70 115.48 2cuq s SER 78 Ca 0.63 -2.42 -0.07 0.00 1.31 0.00 0.00 55.95 55.41 2cuq s SER 78 Cb -0.18 -1.62 -0.02 0.00 0.21 0.00 0.00 66.02 64.41 2cuq s SER 78 CO 0.57 -0.33 0.35 -0.94 0.41 0.00 0.00 173.24 173.30 2cuq s SER 79 N 0.54 0.19 0.00 2.44 1.04 -1.26 -5.37 113.70 111.28 2cuq s SER 79 Ca 0.13 -1.19 0.19 0.00 0.48 0.00 0.00 55.95 55.55 2cuq s SER 79 Cb -0.21 0.53 0.15 0.00 0.10 0.00 0.00 66.02 66.58 2cuq s SER 79 CO -0.06 -1.06 1.09 0.61 0.98 0.00 0.00 173.24 174.80