#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wfq n SER 2 N 0.00 -2.88 -0.04 1.61 7.64 -1.26 -4.81 113.62 113.88 1wfq n SER 2 Ca 0.00 0.29 -0.17 0.00 1.01 0.00 0.00 58.87 60.00 1wfq n SER 2 Cb 0.00 -2.53 -0.13 0.00 -1.01 0.00 0.00 64.21 60.54 1wfq n SER 2 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1wfq h SER 3 N 0.00 0.13 -3.40 6.43 0.02 -2.15 -3.50 113.55 111.07 1wfq h SER 3 Ca -0.19 -0.91 0.00 0.00 -0.84 0.00 0.00 61.79 59.85 1wfq h SER 3 Cb 1.09 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.59 1wfq h SER 3 CO 0.23 1.20 0.00 0.61 -1.14 0.00 0.00 176.83 177.74 1wfq n GLY 4 N 1.61 4.31 2.67 -3.77 0.00 -1.26 -5.07 105.19 103.68 1wfq n GLY 4 Ca -0.15 -1.35 -0.29 0.00 0.00 0.00 0.00 46.02 44.23 1wfq n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wfq s SER 5 N 0.00 3.50 -0.05 1.61 1.04 -1.26 -5.09 113.70 113.45 1wfq s SER 5 Ca 0.00 -2.60 0.02 0.00 0.48 0.00 0.00 55.95 53.85 1wfq s SER 5 Cb 0.00 -0.93 0.01 0.00 0.10 0.00 0.00 66.02 65.20 1wfq s SER 5 CO 0.00 -0.27 -0.10 -0.55 0.98 0.00 0.00 173.24 173.31 1wfq s SER 6 N 0.42 1.45 0.27 7.02 0.15 -1.26 -5.14 113.70 116.61 1wfq s SER 6 Ca 0.18 -0.23 -0.21 0.00 0.70 0.00 0.00 55.95 56.39 1wfq s SER 6 Cb -0.23 -0.63 0.03 0.00 -1.71 0.00 0.00 66.02 63.49 1wfq s SER 6 CO -0.01 0.02 0.78 -0.83 1.20 0.00 0.00 173.24 174.40 1wfq s GLY 7 N 0.63 -0.05 -0.16 9.45 0.00 -1.26 -5.16 107.32 110.77 1wfq s GLY 7 Ca -0.12 -0.29 -0.00 0.00 0.00 0.00 0.00 44.72 44.31 1wfq s GLY 7 CO 0.02 -0.04 -0.14 -0.32 0.00 0.00 0.00 173.10 172.63 1wfq s GLY 8 N -2.96 1.49 0.09 0.20 0.00 -1.26 -5.11 107.32 99.78 1wfq s GLY 8 Ca 0.12 -1.06 0.04 0.00 0.00 0.00 0.00 44.72 43.82 1wfq s GLY 8 CO 0.07 0.09 -0.11 -0.19 0.00 0.00 0.00 173.10 172.96 1wfq s TYR 9 N 0.91 1.07 0.80 1.90 2.02 -1.26 -4.38 117.35 118.41 1wfq s TYR 9 Ca -0.03 -0.61 -0.13 0.00 -0.37 0.00 0.00 57.07 55.93 1wfq s TYR 9 Cb -0.15 -0.59 0.20 0.00 -0.40 0.00 0.00 41.96 41.02 1wfq s TYR 9 CO -0.01 0.01 0.71 -0.35 -1.57 0.00 0.00 175.55 174.34 1wfq n PRO 10 N 0.74 -2.40 -4.25 -1.71 -0.04 -1.26 -5.17 135.00 120.91 1wfq n PRO 10 Ca -0.17 -1.13 -0.22 0.00 -0.04 0.00 0.00 63.50 61.94 1wfq n PRO 10 Cb 0.57 -1.06 -0.17 0.00 -0.04 0.00 0.00 33.50 32.80 1wfq n PRO 10 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1wfq s ASN 11 N -3.41 1.31 0.00 3.54 4.22 -1.26 -5.05 114.94 114.29 1wfq s ASN 11 Ca 0.46 -0.19 0.00 0.00 -2.14 0.00 0.00 52.86 50.99 1wfq s ASN 11 Cb -0.05 -0.59 0.00 0.00 1.28 0.00 0.00 41.25 41.90 1wfq s ASN 11 CO 0.35 -0.04 0.00 0.61 -2.04 0.00 0.00 177.10 175.98 1wfq n GLY 12 N 4.10 -0.61 3.40 0.45 0.00 -1.26 -5.07 105.19 106.20 1wfq n GLY 12 Ca -0.22 0.22 -0.44 0.00 0.00 0.00 0.00 46.02 45.57 1wfq n GLY 12 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1wfq s THR 13 N 0.00 4.65 -0.31 2.61 -4.23 -1.26 -4.99 115.64 112.11 1wfq s THR 13 Ca 0.00 -0.76 0.01 0.00 -1.18 0.00 0.00 61.69 59.75 1wfq s THR 13 Cb 0.00 -4.55 0.10 0.00 1.34 0.00 0.00 72.50 69.38 1wfq s THR 13 CO 0.00 -1.23 0.08 -0.94 -0.54 0.00 0.00 174.62 171.98 1wfq s SER 14 N 3.62 4.23 -0.27 3.99 1.04 -1.26 -5.09 113.70 119.98 1wfq s SER 14 Ca 0.15 -1.77 -0.25 0.00 0.48 0.00 0.00 55.95 54.56 1wfq s SER 14 Cb -0.22 -1.10 0.11 0.00 0.10 0.00 0.00 66.02 64.91 1wfq s SER 14 CO 0.08 -0.40 0.96 0.00 0.98 0.00 0.00 173.24 174.86 1wfq s ALA 15 N 1.40 -1.93 -0.03 5.32 0.00 -1.26 -5.16 121.76 120.09 1wfq s ALA 15 Ca 0.09 1.87 -0.01 0.00 0.00 0.00 0.00 51.96 53.92 1wfq s ALA 15 Cb -0.18 -1.31 0.03 0.00 0.00 0.00 0.00 23.12 21.67 1wfq s ALA 15 CO -0.19 -0.26 0.06 0.00 0.00 0.00 0.00 175.76 175.36 1wfq s ALA 16 N 0.14 0.07 -0.40 0.00 0.00 -1.26 -5.12 121.76 115.19 1wfq s ALA 16 Ca 0.02 0.33 -0.05 0.00 0.00 0.00 0.00 51.96 52.26 1wfq s ALA 16 Cb -0.05 -0.41 0.09 0.00 0.00 0.00 0.00 23.12 22.75 1wfq s ALA 16 CO -0.04 -0.25 0.20 -1.17 0.00 0.00 0.00 175.76 174.50 1wfq s LEU 17 N 1.48 5.04 0.10 0.00 1.98 -1.26 -5.08 118.68 120.94 1wfq s LEU 17 Ca -0.04 -1.72 -0.31 0.00 -2.89 0.00 0.00 54.13 49.17 1wfq s LEU 17 Cb -0.12 -1.88 -0.07 0.00 0.66 0.00 0.00 46.19 44.77 1wfq s LEU 17 CO -0.03 -0.51 1.34 -0.13 -1.89 0.00 0.00 176.35 175.13 1wfq s ARG 18 N 1.27 4.35 0.16 1.98 1.81 -1.26 -4.56 118.95 122.70 1wfq s ARG 18 Ca 0.04 2.00 0.05 0.00 -1.72 0.00 0.00 55.73 56.10 1wfq s ARG 18 Cb -0.23 -3.27 -0.04 0.00 -0.45 0.00 0.00 34.95 30.96 1wfq s ARG 18 CO -0.01 -0.40 0.14 -1.21 -0.68 0.00 0.00 175.30 173.14 1wfq s GLU 19 N 1.10 2.91 0.08 3.54 0.41 0.19 -4.90 118.70 122.03 1wfq s GLU 19 Ca 0.63 -0.86 0.08 0.00 -0.41 0.00 0.00 54.97 54.40 1wfq s GLU 19 Cb -0.35 -2.65 -0.03 0.00 -1.78 0.00 0.00 34.13 29.32 1wfq s GLU 19 CO 0.30 0.49 -0.20 0.95 -0.49 0.00 0.00 175.26 176.30 1wfq s THR 20 N -1.75 1.65 0.00 3.63 -4.23 -1.26 -0.55 115.64 113.13 1wfq s THR 20 Ca 0.31 -1.38 0.00 0.00 -1.18 0.00 0.00 61.69 59.44 1wfq s THR 20 Cb -0.10 -1.47 0.00 0.00 1.34 0.00 0.00 72.50 72.26 1wfq s THR 20 CO 0.23 0.04 0.00 0.61 -0.54 0.00 0.00 174.62 174.96 1wfq n GLY 21 N 1.42 4.01 3.27 3.99 0.00 -1.18 -3.26 105.19 113.45 1wfq n GLY 21 Ca -0.19 -0.29 -0.11 0.00 0.00 0.00 0.00 46.02 45.44 1wfq n GLY 21 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wfq s VAL 22 N 1.19 -0.02 -0.67 1.61 0.11 -0.72 -3.96 120.40 117.94 1wfq s VAL 22 Ca 0.00 0.08 -0.26 0.00 -2.93 0.00 0.00 61.98 58.87 1wfq s VAL 22 Cb 0.00 -0.60 -0.10 0.00 -1.53 0.00 0.00 36.38 34.15 1wfq s VAL 22 CO 0.00 0.03 2.36 -0.63 -3.33 0.00 0.00 175.10 173.53 1wfq s ILE 23 N 1.19 3.05 0.14 7.04 -1.09 -1.15 0.75 121.20 131.13 1wfq s ILE 23 Ca -0.08 -0.02 -0.11 0.00 -2.23 0.00 0.00 60.65 58.21 1wfq s ILE 23 Cb -0.07 -3.12 -0.02 0.00 -1.58 0.00 0.00 42.46 37.66 1wfq s ILE 23 CO -0.10 -0.11 1.51 -0.08 -1.23 0.00 0.00 174.94 174.92 1wfq h GLU 24 N 15.38 0.92 -3.41 2.79 4.81 -1.63 -0.65 114.58 132.78 1wfq h GLU 24 Ca -0.10 -0.42 -0.11 0.00 -0.13 0.00 0.00 59.36 58.60 1wfq h GLU 24 Cb 1.11 -0.02 -0.18 0.00 0.63 0.00 0.00 28.75 30.29 1wfq h GLU 24 CO 1.09 1.08 -0.36 0.21 -0.73 0.00 0.00 179.01 180.30 1wfq s LYS 25 N -4.58 0.69 -0.05 1.92 2.36 -1.04 -4.85 119.74 114.19 1wfq s LYS 25 Ca -0.12 -0.51 -0.04 0.00 -2.55 0.00 0.00 55.97 52.76 1wfq s LYS 25 Cb 0.11 0.29 0.02 0.00 -1.05 0.00 0.00 37.83 37.20 1wfq s LYS 25 CO 0.86 -0.20 0.12 -1.17 1.55 0.00 0.00 175.35 176.51 1wfq s LEU 26 N -1.87 1.41 0.00 5.43 2.96 -1.26 0.68 118.68 126.03 1wfq s LEU 26 Ca -0.08 0.24 0.02 0.00 -0.22 0.00 0.00 54.13 54.10 1wfq s LEU 26 Cb -0.02 0.38 -0.01 0.00 0.50 0.00 0.00 46.19 47.04 1wfq s LEU 26 CO -0.02 -0.06 0.09 0.18 -1.32 0.00 0.00 176.35 175.22 1wfq n LEU 27 N 3.24 0.00 0.14 -0.68 4.32 0.27 -4.95 117.00 119.34 1wfq n LEU 27 Ca -0.15 -1.90 0.03 0.00 -0.02 0.00 0.00 56.01 53.97 1wfq n LEU 27 Cb 0.58 0.61 0.06 0.00 -1.62 0.00 0.00 43.42 43.05 1wfq n LEU 27 CO 0.22 -0.29 0.49 0.74 -1.22 0.00 0.00 177.39 177.32 1wfq h THR 28 N 1.40 0.89 0.06 -5.08 2.02 -2.04 -3.34 112.91 106.82 1wfq h THR 28 Ca -0.20 -2.17 -0.37 0.00 0.77 0.00 0.00 66.41 64.44 1wfq h THR 28 Cb 0.74 2.38 -0.04 0.00 -1.74 0.00 0.00 68.15 69.49 1wfq h THR 28 CO 0.31 0.49 -2.15 -0.24 0.37 0.00 0.00 175.52 174.31 1wfq n SER 29 N -3.26 2.03 -2.00 4.18 2.88 -1.26 -5.00 113.62 111.19 1wfq n SER 29 Ca 0.02 0.12 -0.04 0.00 -1.33 0.00 0.00 58.87 57.63 1wfq n SER 29 Cb 0.71 -0.71 0.01 0.00 -0.75 0.00 0.00 64.21 63.48 1wfq n SER 29 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1wfq n TYR 30 N -3.57 -1.59 -3.79 0.66 0.18 -1.25 -3.32 117.16 104.47 1wfq n TYR 30 Ca -0.39 -0.93 -0.09 0.00 1.88 0.00 0.00 57.90 58.36 1wfq n TYR 30 Cb 0.97 0.46 -0.06 0.00 -0.38 0.00 0.00 39.34 40.33 1wfq n TYR 30 CO 0.00 0.00 0.00 0.20 -2.08 0.00 0.00 176.86 174.98 1wfq s GLY 31 N -2.21 -0.03 0.06 -7.48 0.00 -0.24 0.96 107.32 98.38 1wfq s GLY 31 Ca 0.09 -0.41 0.02 0.00 0.00 0.00 0.00 44.72 44.42 1wfq s GLY 31 CO 0.06 -0.62 0.06 -1.36 0.00 0.00 0.00 173.10 171.24 1wfq s PHE 32 N -3.75 3.18 -0.16 1.90 0.40 0.22 -0.34 117.98 119.41 1wfq s PHE 32 Ca 0.04 0.09 -0.00 0.00 -0.60 0.00 0.00 56.93 56.45 1wfq s PHE 32 Cb 0.04 -1.64 0.04 0.00 0.51 0.00 0.00 43.02 41.97 1wfq s PHE 32 CO -0.11 0.52 -0.06 0.42 0.70 0.00 0.00 175.22 176.69 1wfq s ILE 33 N -1.32 1.13 -0.70 0.64 1.01 0.03 -1.64 121.20 120.35 1wfq s ILE 33 Ca 0.27 -0.63 -0.27 0.00 0.00 0.00 0.00 60.65 60.02 1wfq s ILE 33 Cb -0.12 -1.29 0.03 0.00 0.01 0.00 0.00 42.46 41.09 1wfq s ILE 33 CO 0.19 0.14 1.25 -1.58 0.00 0.00 0.00 174.94 174.94 1wfq s GLN 34 N 1.63 3.27 0.03 2.79 2.00 0.23 0.13 119.66 129.73 1wfq s GLN 34 Ca 0.01 -0.14 -0.36 0.00 -2.00 0.00 0.00 55.36 52.87 1wfq s GLN 34 Cb -0.15 -4.14 -0.15 0.00 0.80 0.00 0.00 33.01 29.37 1wfq s GLN 34 CO -0.08 -2.03 1.55 0.00 -0.50 0.00 0.00 175.29 174.23 1wfq n SER 36 N 3.78 2.68 -0.03 0.00 2.88 -1.20 -2.09 113.62 119.64 1wfq n SER 36 Ca 0.20 -1.97 -0.05 0.00 -1.33 0.00 0.00 58.87 55.72 1wfq n SER 36 Cb 0.22 -0.31 -0.03 0.00 -0.75 0.00 0.00 64.21 63.34 1wfq n SER 36 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1wfq n GLU 37 N 0.97 0.14 0.00 -1.46 1.02 -1.26 -4.72 120.64 115.33 1wfq n GLU 37 Ca 0.17 0.04 0.09 0.00 -0.02 0.00 0.00 57.16 57.44 1wfq n GLU 37 Cb 0.43 -1.02 -0.04 0.00 -0.02 0.00 0.00 31.44 30.80 1wfq n GLU 37 CO 0.00 0.00 0.00 2.89 1.18 0.00 0.00 177.13 181.20 1wfq n ARG 38 N -2.82 1.30 -2.93 3.49 1.85 -1.26 -4.98 116.66 111.31 1wfq n ARG 38 Ca -0.11 -0.57 -0.22 0.00 -1.00 0.00 0.00 57.85 55.95 1wfq n ARG 38 Cb 0.60 -1.37 0.03 0.00 -1.05 0.00 0.00 32.46 30.68 1wfq n ARG 38 CO 0.00 0.00 0.00 1.04 -0.01 0.00 0.00 177.63 178.66 1wfq n GLN 39 N -0.58 -4.49 -5.20 2.89 1.13 -0.89 -4.99 117.38 105.26 1wfq n GLN 39 Ca 0.06 0.94 -0.32 0.00 -1.94 0.00 0.00 57.00 55.74 1wfq n GLN 39 Cb 0.36 -5.78 -0.17 0.00 0.11 0.00 0.00 30.24 24.76 1wfq n GLN 39 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1wfq s ALA 40 N -3.17 2.21 -0.37 -1.58 0.00 -1.23 -4.91 121.76 112.71 1wfq s ALA 40 Ca 0.26 -0.99 -0.29 0.00 0.00 0.00 0.00 51.96 50.94 1wfq s ALA 40 Cb -0.12 -0.79 0.00 0.00 0.00 0.00 0.00 23.12 22.22 1wfq s ALA 40 CO 0.32 0.34 1.43 1.03 0.00 0.00 0.00 175.76 178.88 1wfq s ARG 41 N 0.13 3.63 0.46 0.00 0.52 -1.26 -1.08 118.95 121.34 1wfq s ARG 41 Ca -0.12 1.07 0.02 0.00 -0.52 0.00 0.00 55.73 56.18 1wfq s ARG 41 Cb -0.16 -4.01 0.01 0.00 0.52 0.00 0.00 34.95 31.30 1wfq s ARG 41 CO 0.07 -1.49 0.66 -0.51 0.02 0.00 0.00 175.30 174.05 1wfq s LEU 42 N 5.32 3.60 -0.26 2.53 1.43 0.12 -4.92 118.68 126.51 1wfq s LEU 42 Ca 0.62 0.10 0.02 0.00 -1.03 0.00 0.00 54.13 53.84 1wfq s LEU 42 Cb -0.15 -3.00 0.07 0.00 0.03 0.00 0.00 46.19 43.13 1wfq s LEU 42 CO 0.31 -0.78 -0.05 0.12 0.23 0.00 0.00 176.35 176.18 1wfq s PHE 43 N -2.54 2.71 -0.08 0.29 5.36 -1.26 -0.79 117.98 121.67 1wfq s PHE 43 Ca 0.50 -2.03 -0.04 0.00 -0.96 0.00 0.00 56.93 54.41 1wfq s PHE 43 Cb -0.10 -1.82 -0.04 0.00 -0.34 0.00 0.00 43.02 40.72 1wfq s PHE 43 CO 0.37 -0.82 0.08 -0.59 -1.46 0.00 0.00 175.22 172.80 1wfq s PHE 44 N 1.28 3.38 -0.02 10.12 -0.71 0.53 -2.72 117.98 129.84 1wfq s PHE 44 Ca -0.04 0.33 -0.13 0.00 -1.04 0.00 0.00 56.93 56.06 1wfq s PHE 44 Cb -0.19 -1.84 -0.05 0.00 -1.21 0.00 0.00 43.02 39.73 1wfq s PHE 44 CO -0.07 0.60 0.35 -1.58 -1.34 0.00 0.00 175.22 173.18 1wfq s HIS 45 N -1.04 3.70 0.36 3.49 2.46 -1.26 -1.07 115.29 121.92 1wfq s HIS 45 Ca 0.17 0.89 0.21 0.00 0.47 0.00 0.00 55.06 56.79 1wfq s HIS 45 Cb -0.12 -2.21 1.12 0.00 -0.13 0.00 0.00 32.58 31.24 1wfq s HIS 45 CO 0.07 0.66 1.58 0.00 -2.47 0.00 0.00 174.74 174.58 1wfq h SER 47 N 0.00 0.00 -0.42 0.00 0.02 -1.92 -3.30 113.55 107.93 1wfq h SER 47 Ca 0.00 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.90 1wfq h SER 47 Cb 0.70 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.22 1wfq h SER 47 CO 0.00 0.96 0.06 1.56 -1.14 0.00 0.00 176.83 178.26 1wfq h GLN 48 N 0.00 0.70 -6.52 3.45 1.08 -0.09 -3.44 115.11 110.29 1wfq h GLN 48 Ca -0.01 -0.19 -0.59 0.00 -1.45 0.00 0.00 58.65 56.40 1wfq h GLN 48 Cb 1.73 -0.08 0.07 0.00 -0.05 0.00 0.00 27.48 29.15 1wfq h GLN 48 CO 0.12 0.74 0.67 0.98 -0.95 0.00 0.00 178.83 180.40 1wfq n TYR 49 N -4.49 2.13 0.12 2.96 9.36 -1.21 -1.75 117.16 124.28 1wfq n TYR 49 Ca -0.00 0.38 -0.21 0.00 3.32 0.00 0.00 57.90 61.38 1wfq n TYR 49 Cb 0.25 -2.48 -0.15 0.00 -0.63 0.00 0.00 39.34 36.32 1wfq n TYR 49 CO 0.00 0.00 0.00 -0.91 0.22 0.00 0.00 176.86 176.17 1wfq h ASN 50 N 5.00 0.67 0.00 2.98 2.35 -1.68 -3.46 115.58 121.44 1wfq h ASN 50 Ca -0.45 -0.75 0.00 0.00 -0.55 0.00 0.00 56.30 54.55 1wfq h ASN 50 Cb 1.27 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 39.42 1wfq h ASN 50 CO 0.82 1.60 0.00 0.61 -1.65 0.00 0.00 177.43 178.80 1wfq n GLY 51 N 1.67 0.44 3.13 2.83 0.00 -1.26 -5.03 105.19 106.97 1wfq n GLY 51 Ca -0.15 -1.36 -0.33 0.00 0.00 0.00 0.00 46.02 44.17 1wfq n GLY 51 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1wfq s ASN 52 N -1.11 4.32 0.28 1.61 3.84 -1.26 -4.99 114.94 117.64 1wfq s ASN 52 Ca 0.00 -1.14 0.15 0.00 0.21 0.00 0.00 52.86 52.08 1wfq s ASN 52 Cb 0.00 -1.60 1.00 0.00 -0.55 0.00 0.00 41.25 40.09 1wfq s ASN 52 CO 0.00 -0.16 1.20 0.18 -2.79 0.00 0.00 177.10 175.53 1wfq n LEU 53 N 4.55 0.24 -0.30 3.21 7.99 -1.26 0.90 117.00 132.34 1wfq n LEU 53 Ca -0.15 1.26 0.04 0.00 -0.01 0.00 0.00 56.01 57.15 1wfq n LEU 53 Cb 0.45 -0.61 0.13 0.00 -0.11 0.00 0.00 43.42 43.28 1wfq n LEU 53 CO 0.24 -1.40 0.72 1.56 -1.51 0.00 0.00 177.39 177.00 1wfq h GLN 54 N 0.00 0.01 -0.36 3.23 4.20 -2.00 0.54 115.11 120.73 1wfq h GLN 54 Ca 0.63 -0.00 -0.10 0.00 0.06 0.00 0.00 58.65 59.24 1wfq h GLN 54 Cb 1.66 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 29.42 1wfq h GLN 54 CO -0.59 0.01 -0.20 -0.44 -0.67 0.00 0.00 178.83 176.93 1wfq h ASP 55 N 0.01 0.69 -4.19 1.46 3.32 0.09 -3.44 116.42 114.36 1wfq h ASP 55 Ca 0.42 -0.23 -0.52 0.00 0.02 0.00 0.00 57.03 56.72 1wfq h ASP 55 Cb 0.68 -0.19 0.14 0.00 0.22 0.00 0.00 39.33 40.18 1wfq h ASP 55 CO -0.85 0.89 0.37 -0.22 -1.72 0.00 0.00 179.24 177.71 1wfq s LEU 56 N -8.86 3.30 0.16 1.55 2.96 0.19 -5.05 118.68 112.93 1wfq s LEU 56 Ca -0.09 2.21 -0.22 0.00 -0.22 0.00 0.00 54.13 55.81 1wfq s LEU 56 Cb 0.13 -4.57 0.06 0.00 0.50 0.00 0.00 46.19 42.32 1wfq s LEU 56 CO 0.82 -2.11 0.58 -1.59 -1.32 0.00 0.00 176.35 172.73 1wfq s LYS 57 N -4.05 1.27 -0.06 1.98 -2.85 -1.26 -4.95 119.74 109.82 1wfq s LYS 57 Ca 0.71 -0.51 -0.30 0.00 -1.00 0.00 0.00 55.97 54.87 1wfq s LYS 57 Cb -0.25 0.58 -0.04 0.00 -2.06 0.00 0.00 37.83 36.06 1wfq s LYS 57 CO 0.45 -0.55 1.30 0.08 0.10 0.00 0.00 175.35 176.73 1wfq s VAL 58 N -3.76 4.05 0.00 1.79 1.01 -1.26 -3.35 120.40 118.88 1wfq s VAL 58 Ca 0.02 1.37 0.00 0.00 0.00 0.00 0.00 61.98 63.37 1wfq s VAL 58 Cb -0.01 -3.88 0.00 0.00 0.00 0.00 0.00 36.38 32.49 1wfq s VAL 58 CO -0.12 -0.04 0.00 0.61 0.00 0.00 0.00 175.10 175.55 1wfq n GLY 59 N 3.55 1.36 3.25 4.51 0.00 -0.25 -4.98 105.19 112.63 1wfq n GLY 59 Ca 0.13 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.88 1wfq n GLY 59 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1wfq s ASP 60 N -2.00 2.53 0.38 1.61 1.11 -1.21 -4.91 116.67 114.17 1wfq s ASP 60 Ca 0.00 -0.47 -0.26 0.00 0.18 0.00 0.00 52.55 51.99 1wfq s ASP 60 Cb 0.00 -0.24 -0.09 0.00 1.07 0.00 0.00 42.92 43.66 1wfq s ASP 60 CO 0.00 0.21 1.21 -1.81 1.18 0.00 0.00 175.17 175.95 1wfq s ASP 61 N -0.93 6.61 -0.15 0.27 1.11 -1.26 -2.94 116.67 119.38 1wfq s ASP 61 Ca 0.08 2.44 -0.19 0.00 0.18 0.00 0.00 52.55 55.07 1wfq s ASP 61 Cb -0.09 -2.63 0.05 0.00 1.07 0.00 0.00 42.92 41.33 1wfq s ASP 61 CO 0.01 -0.62 0.50 0.68 1.18 0.00 0.00 175.17 176.92 1wfq s VAL 62 N -1.32 0.01 -0.17 -1.27 -7.23 -1.25 -3.67 120.40 105.49 1wfq s VAL 62 Ca 0.54 -0.06 -0.11 0.00 -1.81 0.00 0.00 61.98 60.54 1wfq s VAL 62 Cb -0.33 -0.73 -0.05 0.00 0.56 0.00 0.00 36.38 35.83 1wfq s VAL 62 CO 0.43 -0.03 0.19 -0.70 -0.31 0.00 0.00 175.10 174.67 1wfq s GLU 63 N -0.09 4.13 0.30 4.82 2.12 0.13 -3.11 118.70 127.00 1wfq s GLU 63 Ca -0.03 -0.10 0.02 0.00 0.36 0.00 0.00 54.97 55.22 1wfq s GLU 63 Cb -0.03 -3.39 -0.02 0.00 0.26 0.00 0.00 34.13 30.94 1wfq s GLU 63 CO 0.02 0.34 0.32 -0.59 -0.54 0.00 0.00 175.26 174.80 1wfq s PHE 64 N 0.22 1.37 -0.13 5.30 -0.12 0.29 -0.40 117.98 124.51 1wfq s PHE 64 Ca 0.12 -1.45 0.02 0.00 -0.05 0.00 0.00 56.93 55.57 1wfq s PHE 64 Cb -0.12 -0.46 0.01 0.00 -0.63 0.00 0.00 43.02 41.83 1wfq s PHE 64 CO 0.01 -0.91 -0.20 -2.00 -0.05 0.00 0.00 175.22 172.07 1wfq s GLU 65 N -3.51 2.83 -0.36 1.99 2.56 -0.75 0.56 118.70 122.03 1wfq s GLU 65 Ca 0.37 -0.78 -0.29 0.00 0.00 0.00 0.00 54.97 54.26 1wfq s GLU 65 Cb 0.02 -2.31 0.02 0.00 2.00 0.00 0.00 34.13 33.86 1wfq s GLU 65 CO 0.21 -0.03 1.10 0.08 -0.56 0.00 0.00 175.26 176.06 1wfq s VAL 66 N 0.88 4.42 0.39 3.70 1.01 -1.26 -1.47 120.40 128.07 1wfq s VAL 66 Ca -0.06 1.59 0.05 0.00 0.00 0.00 0.00 61.98 63.56 1wfq s VAL 66 Cb -0.15 -4.45 -0.06 0.00 0.00 0.00 0.00 36.38 31.72 1wfq s VAL 66 CO -0.02 -0.61 0.04 -0.55 0.00 0.00 0.00 175.10 173.96 1wfq s SER 67 N 1.91 3.24 -0.24 3.32 0.15 0.12 -4.92 113.70 117.28 1wfq s SER 67 Ca 0.47 -1.45 -0.09 0.00 0.70 0.00 0.00 55.95 55.58 1wfq s SER 67 Cb -0.11 -0.04 -0.04 0.00 -1.71 0.00 0.00 66.02 64.12 1wfq s SER 67 CO 0.20 -0.62 0.11 -0.94 1.20 0.00 0.00 173.24 173.18 1wfq s SER 68 N -3.64 5.65 1.23 5.45 1.04 -1.26 -0.46 113.70 121.70 1wfq s SER 68 Ca 0.30 -0.03 -0.16 0.00 0.48 0.00 0.00 55.95 56.54 1wfq s SER 68 Cb 0.07 -2.01 0.28 0.00 0.10 0.00 0.00 66.02 64.46 1wfq s SER 68 CO 0.14 0.04 0.77 -0.67 0.98 0.00 0.00 173.24 174.50 1wfq n ASP 69 N 4.47 -2.39 -0.44 7.02 2.03 -0.65 -4.85 116.55 121.74 1wfq n ASP 69 Ca -0.16 -0.31 0.05 0.00 0.52 0.00 0.00 54.79 54.90 1wfq n ASP 69 Cb 0.52 -1.13 0.05 0.00 -0.72 0.00 0.00 41.12 39.83 1wfq n ASP 69 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1wfq n ARG 70 N -4.49 0.60 -0.02 -0.67 5.12 -1.26 -3.24 116.66 112.71 1wfq n ARG 70 Ca 0.03 -1.18 -0.02 0.00 -1.93 0.00 0.00 57.85 54.75 1wfq n ARG 70 Cb 0.56 -1.21 -0.02 0.00 -1.16 0.00 0.00 32.46 30.63 1wfq n ARG 70 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 1wfq n ARG 71 N 0.61 1.91 0.00 5.56 1.74 -1.26 -4.78 116.66 120.44 1wfq n ARG 71 Ca 0.07 0.01 0.00 0.00 -0.77 0.00 0.00 57.85 57.16 1wfq n ARG 71 Cb 0.28 -1.08 0.00 0.00 -1.02 0.00 0.00 32.46 30.64 1wfq n ARG 71 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1wfq n THR 72 N -2.35 0.00 -1.17 0.55 -2.24 -1.26 -4.99 114.28 102.81 1wfq n THR 72 Ca -0.06 -0.40 -0.08 0.00 -2.27 0.00 0.00 64.05 61.24 1wfq n THR 72 Cb 0.59 1.05 -0.03 0.00 -2.10 0.00 0.00 70.33 69.84 1wfq n THR 72 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wfq n GLY 73 N 0.60 0.72 3.83 3.38 0.00 -1.20 -4.90 105.19 107.61 1wfq n GLY 73 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1wfq n GLY 73 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wfq s LYS 74 N -2.55 4.03 -0.53 1.61 -0.14 -1.26 -4.27 119.74 116.63 1wfq s LYS 74 Ca 0.00 1.07 -0.27 0.00 -1.36 0.00 0.00 55.97 55.40 1wfq s LYS 74 Cb 0.00 -2.15 -0.02 0.00 -1.68 0.00 0.00 37.83 33.98 1wfq s LYS 74 CO 0.00 -0.20 1.81 -1.25 -0.76 0.00 0.00 175.35 174.95 1wfq s PRO 75 N -3.63 2.85 0.25 -1.68 0.04 -1.26 -1.64 135.00 129.94 1wfq s PRO 75 Ca 0.61 0.82 0.09 0.00 0.04 0.00 0.00 61.00 62.56 1wfq s PRO 75 Cb -0.10 -4.32 -0.04 0.00 0.04 0.00 0.00 34.50 30.08 1wfq s PRO 75 CO 0.23 -2.45 -0.01 0.96 0.04 0.00 0.00 177.00 175.77 1wfq s ILE 76 N 8.32 3.49 0.14 0.56 -4.36 0.39 -4.57 121.20 125.18 1wfq s ILE 76 Ca 0.70 -1.81 -0.17 0.00 -0.26 0.00 0.00 60.65 59.10 1wfq s ILE 76 Cb -0.15 -2.84 -0.07 0.00 1.25 0.00 0.00 42.46 40.65 1wfq s ILE 76 CO 0.24 -0.32 0.60 0.00 0.24 0.00 0.00 174.94 175.71 1wfq s ALA 77 N -2.18 3.54 0.10 2.27 0.00 -1.10 -0.70 121.76 123.68 1wfq s ALA 77 Ca 0.30 0.00 -0.05 0.00 0.00 0.00 0.00 51.96 52.21 1wfq s ALA 77 Cb -0.07 -2.64 -0.02 0.00 0.00 0.00 0.00 23.12 20.39 1wfq s ALA 77 CO 0.19 0.40 0.14 0.14 0.00 0.00 0.00 175.76 176.63 1wfq s VAL 78 N -1.37 0.14 -1.44 0.00 -7.23 -0.54 -4.26 120.40 105.69 1wfq s VAL 78 Ca 0.37 -1.51 -0.00 0.00 -1.81 0.00 0.00 61.98 59.02 1wfq s VAL 78 Cb -0.17 -1.63 0.00 0.00 0.56 0.00 0.00 36.38 35.14 1wfq s VAL 78 CO 0.20 -0.62 0.34 0.29 -0.31 0.00 0.00 175.10 175.00 1wfq n LYS 79 N -0.06 -2.82 -1.03 4.82 5.02 -1.22 -1.80 118.16 121.07 1wfq n LYS 79 Ca -0.11 0.34 -0.32 0.00 -2.02 0.00 0.00 58.31 56.20 1wfq n LYS 79 Cb 0.62 -4.35 0.13 0.00 -0.02 0.00 0.00 35.03 31.42 1wfq n LYS 79 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1wfq s LEU 80 N -7.05 3.02 -0.28 -0.35 2.96 -0.72 -4.55 118.68 111.71 1wfq s LEU 80 Ca 0.01 2.17 -0.17 0.00 -0.22 0.00 0.00 54.13 55.91 1wfq s LEU 80 Cb -0.00 -4.56 0.12 0.00 0.50 0.00 0.00 46.19 42.24 1wfq s LEU 80 CO 0.91 -2.65 0.87 0.54 -1.32 0.00 0.00 176.35 174.70 1wfq s VAL 81 N -2.50 0.00 0.07 1.68 0.11 0.47 -1.95 120.40 118.27 1wfq s VAL 81 Ca 0.68 0.00 -0.31 0.00 -2.93 0.00 0.00 61.98 59.42 1wfq s VAL 81 Cb -0.23 -1.00 -0.08 0.00 -1.53 0.00 0.00 36.38 33.54 1wfq s VAL 81 CO 0.54 0.00 1.51 -0.75 -3.33 0.00 0.00 175.10 173.07 1wfq s LYS 82 N 1.29 4.25 0.01 1.54 2.20 -1.26 0.19 119.74 127.96 1wfq s LYS 82 Ca -0.08 2.17 -0.26 0.00 -0.36 0.00 0.00 55.97 57.44 1wfq s LYS 82 Cb -0.04 -3.47 -0.15 0.00 -1.51 0.00 0.00 37.83 32.65 1wfq s LYS 82 CO -0.15 -0.61 1.16 0.82 -0.36 0.00 0.00 175.35 176.21 1wfq h ILE 83 N 4.65 0.22 -3.38 5.43 2.04 -1.90 -3.43 117.51 121.13 1wfq h ILE 83 Ca -0.41 -0.37 -0.55 0.00 1.00 0.00 0.00 64.86 64.53 1wfq h ILE 83 Cb 1.20 0.31 -0.04 0.00 -0.74 0.00 0.00 36.82 37.55 1wfq h ILE 83 CO 0.91 0.03 0.26 -0.94 0.00 0.00 0.00 178.15 178.41 1wfq s SER 84 N -4.64 7.20 -0.43 1.72 1.04 -1.26 -5.01 113.70 112.32 1wfq s SER 84 Ca -0.14 1.45 0.05 0.00 0.48 0.00 0.00 55.95 57.79 1wfq s SER 84 Cb 0.02 -2.50 0.17 0.00 0.10 0.00 0.00 66.02 63.81 1wfq s SER 84 CO 0.46 -0.21 0.46 -0.83 0.98 0.00 0.00 173.24 174.10 1wfq s GLY 85 N 0.93 0.12 -0.56 7.32 0.00 -1.26 -5.10 107.32 108.78 1wfq s GLY 85 Ca 0.46 -1.42 -0.27 0.00 0.00 0.00 0.00 44.72 43.48 1wfq s GLY 85 CO 0.23 2.75 1.83 2.56 0.00 0.00 0.00 173.10 180.47 1wfq s PRO 86 N 0.72 2.78 0.43 2.90 0.04 -1.26 -4.97 135.00 135.64 1wfq s PRO 86 Ca 0.27 0.75 -0.24 0.00 0.04 0.00 0.00 61.00 61.83 1wfq s PRO 86 Cb -0.03 -4.34 -0.08 0.00 0.04 0.00 0.00 34.50 30.09 1wfq s PRO 86 CO -0.10 -2.54 1.13 0.45 0.04 0.00 0.00 177.00 175.98 1wfq s SER 87 N 7.58 6.40 -0.01 6.66 0.15 -1.26 -4.96 113.70 128.25 1wfq s SER 87 Ca 0.69 2.23 -0.00 0.00 0.70 0.00 0.00 55.95 59.57 1wfq s SER 87 Cb -0.14 -2.60 -0.01 0.00 -1.71 0.00 0.00 66.02 61.56 1wfq s SER 87 CO 0.23 -0.75 -0.01 -0.24 1.20 0.00 0.00 173.24 173.66 1wfq n SER 88 N -0.29 2.71 0.00 5.45 2.88 -1.26 -5.36 113.62 117.76 1wfq n SER 88 Ca 0.06 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.60 1wfq n SER 88 Cb 0.48 -0.03 0.00 0.00 -0.75 0.00 0.00 64.21 63.92 1wfq n SER 88 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42