#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wfq s SER 2 N 0.00 4.25 -1.38 1.61 0.15 -1.26 -3.07 113.70 114.00 1wfq s SER 2 Ca 0.00 -0.17 -0.06 0.00 0.70 0.00 0.00 55.95 56.42 1wfq s SER 2 Cb 0.00 -2.55 0.03 0.00 -1.71 0.00 0.00 66.02 61.79 1wfq s SER 2 CO 0.00 -3.56 0.88 -1.20 1.20 0.00 0.00 173.24 170.56 1wfq n SER 3 N 17.34 -3.09 0.00 5.45 7.64 -1.26 -4.95 113.62 134.75 1wfq n SER 3 Ca 0.45 -0.75 0.00 0.00 1.01 0.00 0.00 58.87 59.57 1wfq n SER 3 Cb 0.44 -4.21 0.00 0.00 -1.01 0.00 0.00 64.21 59.43 1wfq n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wfq n GLY 4 N -1.62 1.38 3.34 0.23 0.00 -1.17 -5.10 105.19 102.24 1wfq n GLY 4 Ca -0.15 -0.24 -0.47 0.00 0.00 0.00 0.00 46.02 45.17 1wfq n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wfq s SER 5 N 0.00 6.71 -0.12 1.61 0.01 -1.26 -2.53 113.70 118.12 1wfq s SER 5 Ca 0.00 -2.57 -0.19 0.00 1.31 0.00 0.00 55.95 54.50 1wfq s SER 5 Cb 0.00 -2.22 -0.17 0.00 0.21 0.00 0.00 66.02 63.84 1wfq s SER 5 CO 0.00 -0.63 0.53 0.77 0.41 0.00 0.00 173.24 174.32 1wfq h SER 6 N 7.94 -0.01 0.00 2.44 4.64 -1.99 -3.50 113.55 123.07 1wfq h SER 6 Ca 0.07 -0.62 0.00 0.00 -0.47 0.00 0.00 61.79 60.77 1wfq h SER 6 Cb 1.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.14 1wfq h SER 6 CO 0.80 0.78 0.00 0.61 -0.87 0.00 0.00 176.83 178.15 1wfq n GLY 7 N 1.57 2.57 0.00 -0.77 0.00 -1.26 -5.16 105.19 102.14 1wfq n GLY 7 Ca -0.07 -1.27 0.00 0.00 0.00 0.00 0.00 46.02 44.69 1wfq n GLY 7 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wfq n GLY 8 N 1.61 4.61 3.84 -0.02 0.00 -1.26 -5.13 105.19 108.85 1wfq n GLY 8 Ca 0.00 -1.11 -0.32 0.00 0.00 0.00 0.00 46.02 44.59 1wfq n GLY 8 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1wfq s TYR 9 N -1.04 3.46 0.20 1.61 -0.85 -1.26 -3.91 117.35 115.57 1wfq s TYR 9 Ca 0.00 1.45 -0.30 0.00 -0.52 0.00 0.00 57.07 57.70 1wfq s TYR 9 Cb 0.00 -2.79 -0.09 0.00 0.38 0.00 0.00 41.96 39.46 1wfq s TYR 9 CO 0.00 -0.43 1.30 -1.25 -1.52 0.00 0.00 175.55 173.65 1wfq s PRO 10 N -4.21 4.39 0.17 -3.49 0.04 -1.26 -5.09 135.00 125.56 1wfq s PRO 10 Ca 0.59 2.05 -0.15 0.00 0.04 0.00 0.00 61.00 63.52 1wfq s PRO 10 Cb -0.10 -3.19 0.12 0.00 0.04 0.00 0.00 34.50 31.37 1wfq s PRO 10 CO 0.34 -0.24 1.72 -0.97 0.04 0.00 0.00 177.00 177.89 1wfq h ASN 11 N 5.27 -0.03 -0.18 6.66 -1.24 -2.02 -3.48 115.58 120.56 1wfq h ASN 11 Ca -0.45 0.08 0.00 0.00 0.71 0.00 0.00 56.30 56.64 1wfq h ASN 11 Cb 1.21 0.11 0.00 0.00 0.73 0.00 0.00 38.32 40.38 1wfq h ASN 11 CO 0.76 0.02 0.00 0.61 -1.29 0.00 0.00 177.43 177.53 1wfq n GLY 12 N -1.26 0.82 3.53 1.57 0.00 -1.26 -4.72 105.19 103.87 1wfq n GLY 12 Ca 0.03 -0.81 -0.31 0.00 0.00 0.00 0.00 46.02 44.93 1wfq n GLY 12 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1wfq n THR 13 N 0.00 0.00 -4.01 2.61 -2.24 -1.26 -5.02 114.28 104.36 1wfq n THR 13 Ca 0.00 -0.18 -0.29 0.00 -2.27 0.00 0.00 64.05 61.31 1wfq n THR 13 Cb 0.00 -0.88 -0.17 0.00 -2.10 0.00 0.00 70.33 67.19 1wfq n THR 13 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1wfq s SER 14 N -2.37 2.56 0.25 3.42 1.04 -1.26 -5.12 113.70 112.23 1wfq s SER 14 Ca 0.64 -0.44 -0.30 0.00 0.48 0.00 0.00 55.95 56.33 1wfq s SER 14 Cb -0.22 -1.10 -0.09 0.00 0.10 0.00 0.00 66.02 64.71 1wfq s SER 14 CO 0.63 -0.07 1.08 0.00 0.98 0.00 0.00 173.24 175.85 1wfq s ALA 15 N 1.52 3.39 0.68 5.32 0.00 -1.26 -4.97 121.76 126.44 1wfq s ALA 15 Ca 0.05 0.84 -0.17 0.00 0.00 0.00 0.00 51.96 52.67 1wfq s ALA 15 Cb -0.13 -3.31 -0.15 0.00 0.00 0.00 0.00 23.12 19.53 1wfq s ALA 15 CO -0.10 -0.11 -0.38 0.00 0.00 0.00 0.00 175.76 175.16 1wfq n ALA 16 N 1.51 -3.98 -3.11 0.00 0.00 -1.26 -5.00 120.51 108.67 1wfq n ALA 16 Ca -0.00 -0.29 -0.12 0.00 0.00 0.00 0.00 53.44 53.03 1wfq n ALA 16 Cb 0.45 -1.29 -0.06 0.00 0.00 0.00 0.00 19.45 18.56 1wfq n ALA 16 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 1wfq s LEU 17 N 6.07 0.44 -0.11 0.00 -0.00 -1.26 -5.14 118.68 118.68 1wfq s LEU 17 Ca 0.50 -0.08 -0.30 0.00 -0.00 0.00 0.00 54.13 54.25 1wfq s LEU 17 Cb -0.37 1.73 -0.01 0.00 -0.00 0.00 0.00 46.19 47.53 1wfq s LEU 17 CO 0.72 -0.70 1.09 -0.13 -0.00 0.00 0.00 176.35 177.33 1wfq s ARG 18 N -2.74 4.36 0.16 1.48 1.81 -1.26 -4.38 118.95 118.37 1wfq s ARG 18 Ca -0.04 1.50 0.04 0.00 -1.72 0.00 0.00 55.73 55.51 1wfq s ARG 18 Cb -0.00 -3.58 -0.04 0.00 -0.45 0.00 0.00 34.95 30.88 1wfq s ARG 18 CO -0.04 -0.44 0.19 -1.21 -0.68 0.00 0.00 175.30 173.12 1wfq s GLU 19 N 2.38 3.12 -0.02 3.54 0.41 0.23 -4.90 118.70 123.47 1wfq s GLU 19 Ca 0.50 -0.76 0.07 0.00 -0.41 0.00 0.00 54.97 54.38 1wfq s GLU 19 Cb -0.20 -2.78 -0.02 0.00 -1.78 0.00 0.00 34.13 29.36 1wfq s GLU 19 CO 0.17 0.50 -0.23 0.95 -0.49 0.00 0.00 175.26 176.17 1wfq s THR 20 N -1.74 1.78 0.00 3.63 -4.23 -1.26 -0.47 115.64 113.35 1wfq s THR 20 Ca 0.32 -0.96 0.00 0.00 -1.18 0.00 0.00 61.69 59.87 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 0.25 0.50 0.00 0.61 -0.54 0.00 0.00 174.62 175.45 1wfq n GLY 21 N 2.53 4.40 3.33 3.99 0.00 -1.16 -2.48 105.19 115.80 1wfq n GLY 21 Ca -0.15 -0.44 -0.14 0.00 0.00 0.00 0.00 46.02 45.28 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 1.86 0.02 -0.84 1.61 0.11 -0.04 -3.92 120.40 119.21 1wfq s VAL 22 Ca 0.00 -0.15 -0.25 0.00 -2.93 0.00 0.00 61.98 58.65 1wfq s VAL 22 Cb 0.00 -0.66 -0.00 0.00 -1.53 0.00 0.00 36.38 34.19 1wfq s VAL 22 CO 0.00 -0.08 1.67 -0.63 -3.33 0.00 0.00 175.10 172.73 1wfq s ILE 23 N -0.42 3.61 0.07 7.04 -1.09 -1.19 0.25 121.20 129.46 1wfq s ILE 23 Ca -0.06 -0.20 -0.17 0.00 -2.23 0.00 0.00 60.65 57.99 1wfq s ILE 23 Cb -0.03 -4.45 -0.12 0.00 -1.58 0.00 0.00 42.46 36.28 1wfq s ILE 23 CO 0.03 -1.38 1.37 -0.08 -1.23 0.00 0.00 174.94 173.65 1wfq h GLU 24 N 11.46 0.55 -3.87 2.79 4.57 -1.82 -0.80 114.58 127.45 1wfq h GLU 24 Ca -0.02 -0.31 -0.16 0.00 -1.18 0.00 0.00 59.36 57.69 1wfq h GLU 24 Cb 1.05 0.02 -0.20 0.00 -0.16 0.00 0.00 28.75 29.45 1wfq h GLU 24 CO 1.28 0.90 -0.64 0.21 -1.18 0.00 0.00 179.01 179.58 1wfq s LYS 25 N -4.27 0.38 -0.06 1.92 2.36 -1.19 -4.85 119.74 114.03 1wfq s LYS 25 Ca -0.13 -0.60 -0.06 0.00 -2.55 0.00 0.00 55.97 52.63 1wfq s LYS 25 Cb 0.07 0.14 0.02 0.00 -1.05 0.00 0.00 37.83 37.01 1wfq s LYS 25 CO 0.80 -0.07 0.17 -1.17 1.55 0.00 0.00 175.35 176.62 1wfq s LEU 26 N -1.55 1.35 0.00 5.43 2.96 -1.26 0.92 118.68 126.53 1wfq s LEU 26 Ca -0.14 0.34 0.03 0.00 -0.22 0.00 0.00 54.13 54.14 1wfq s LEU 26 Cb -0.08 0.57 -0.01 0.00 0.50 0.00 0.00 46.19 47.17 1wfq s LEU 26 CO -0.01 -0.06 0.11 0.18 -1.32 0.00 0.00 176.35 175.26 1wfq n LEU 27 N 3.01 0.00 0.11 -0.68 4.32 0.25 -4.94 117.00 119.06 1wfq n LEU 27 Ca -0.13 -1.86 -0.02 0.00 -0.02 0.00 0.00 56.01 53.98 1wfq n LEU 27 Cb 0.59 0.74 0.03 0.00 -1.62 0.00 0.00 43.42 43.16 1wfq n LEU 27 CO 0.21 -0.30 0.35 0.74 -1.22 0.00 0.00 177.39 177.17 1wfq h THR 28 N 1.48 1.40 0.09 -5.08 2.02 -2.03 -3.33 112.91 107.46 1wfq h THR 28 Ca -0.17 -2.67 -0.35 0.00 0.77 0.00 0.00 66.41 63.99 1wfq h THR 28 Cb 0.72 2.50 -0.02 0.00 -1.74 0.00 0.00 68.15 69.60 1wfq h THR 28 CO 0.26 0.73 -1.91 -1.20 0.37 0.00 0.00 175.52 173.78 1wfq n SER 29 N -3.46 2.07 -2.37 4.18 7.64 -1.26 -4.96 113.62 115.46 1wfq n SER 29 Ca 0.00 0.23 -0.04 0.00 1.01 0.00 0.00 58.87 60.07 1wfq n SER 29 Cb 0.77 -0.85 0.02 0.00 -1.01 0.00 0.00 64.21 63.14 1wfq n SER 29 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1wfq n TYR 30 N -3.66 -1.47 -3.72 1.43 0.18 -1.25 -3.14 117.16 105.53 1wfq n TYR 30 Ca -0.33 -1.03 -0.10 0.00 1.88 0.00 0.00 57.90 58.32 1wfq n TYR 30 Cb 0.97 0.51 -0.05 0.00 -0.38 0.00 0.00 39.34 40.39 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 -2.67 -0.10 0.21 -7.48 0.00 0.05 0.85 107.32 98.19 1wfq s GLY 31 Ca 0.13 -0.24 0.05 0.00 0.00 0.00 0.00 44.72 44.66 1wfq s GLY 31 CO 0.06 -0.39 0.26 -1.36 0.00 0.00 0.00 173.10 171.67 1wfq s PHE 32 N -3.85 3.31 -0.21 1.90 0.40 0.26 0.32 117.98 120.12 1wfq s PHE 32 Ca 0.07 -0.02 -0.04 0.00 -0.60 0.00 0.00 56.93 56.34 1wfq s PHE 32 Cb 0.01 -1.53 0.07 0.00 0.51 0.00 0.00 43.02 42.08 1wfq s PHE 32 CO -0.08 0.49 0.08 0.42 0.70 0.00 0.00 175.22 176.83 1wfq s ILE 33 N -1.94 0.20 -0.60 0.64 1.01 0.08 -2.54 121.20 118.05 1wfq s ILE 33 Ca 0.33 -0.48 -0.27 0.00 0.00 0.00 0.00 60.65 60.24 1wfq s ILE 33 Cb -0.09 -0.87 -0.01 0.00 0.01 0.00 0.00 42.46 41.50 1wfq s ILE 33 CO 0.27 -0.34 1.71 -1.58 0.00 0.00 0.00 174.94 175.00 1wfq s GLN 34 N 1.99 2.85 0.32 2.79 2.00 0.68 -1.08 119.66 129.23 1wfq s GLN 34 Ca 0.02 0.54 -0.28 0.00 -2.00 0.00 0.00 55.36 53.64 1wfq s GLN 34 Cb -0.16 -4.31 -0.13 0.00 0.80 0.00 0.00 33.01 29.21 1wfq s GLN 34 CO -0.14 -2.47 1.11 0.00 -0.50 0.00 0.00 175.29 173.29 1wfq n SER 36 N 0.98 3.08 0.00 0.00 7.64 -1.03 -2.54 113.62 121.75 1wfq n SER 36 Ca 0.08 -1.97 0.00 0.00 1.01 0.00 0.00 58.87 57.99 1wfq n SER 36 Cb 0.34 -0.34 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1wfq n SER 36 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1wfq n GLU 37 N 1.20 0.00 0.00 1.43 1.02 -1.26 -4.74 120.64 118.29 1wfq n GLU 37 Ca 0.19 0.00 0.10 0.00 -0.02 0.00 0.00 57.16 57.44 1wfq n GLU 37 Cb 0.50 -0.94 0.05 0.00 -0.02 0.00 0.00 31.44 31.03 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 -2.45 1.72 -3.99 3.49 1.85 -1.26 -4.99 116.66 111.02 1wfq n ARG 38 Ca 0.00 -1.43 -0.29 0.00 -1.00 0.00 0.00 57.85 55.13 1wfq n ARG 38 Cb 0.47 -1.40 -0.02 0.00 -1.05 0.00 0.00 32.46 30.45 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 0.69 -2.34 -4.08 2.89 6.02 -1.05 -4.96 117.38 114.54 1wfq n GLN 39 Ca 0.11 0.33 -0.18 0.00 -0.01 0.00 0.00 57.00 57.25 1wfq n GLN 39 Cb 0.48 -4.14 -0.16 0.00 1.02 0.00 0.00 30.24 27.45 1wfq n GLN 39 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1wfq s ALA 40 N -3.94 0.47 -0.66 -1.58 0.00 -1.25 -4.92 121.76 109.88 1wfq s ALA 40 Ca 0.10 -0.02 -0.27 0.00 0.00 0.00 0.00 51.96 51.77 1wfq s ALA 40 Cb -0.04 -0.29 0.00 0.00 0.00 0.00 0.00 23.12 22.79 1wfq s ALA 40 CO 0.91 0.01 1.62 -0.98 0.00 0.00 0.00 175.76 177.32 1wfq s ARG 41 N 0.63 2.88 0.75 0.00 1.70 -1.26 -1.32 118.95 122.33 1wfq s ARG 41 Ca -0.07 0.29 -0.11 0.00 -0.47 0.00 0.00 55.73 55.37 1wfq s ARG 41 Cb -0.10 -4.29 0.05 0.00 -0.57 0.00 0.00 34.95 30.03 1wfq s ARG 41 CO -0.01 -2.46 1.11 -0.51 -1.08 0.00 0.00 175.30 172.35 1wfq s LEU 42 N 7.64 2.72 -0.30 -1.89 1.43 -0.24 -4.80 118.68 123.24 1wfq s LEU 42 Ca 0.54 0.85 0.03 0.00 -1.03 0.00 0.00 54.13 54.52 1wfq s LEU 42 Cb -0.11 -3.48 0.08 0.00 0.03 0.00 0.00 46.19 42.71 1wfq s LEU 42 CO 0.19 -1.63 -0.02 0.12 0.23 0.00 0.00 176.35 175.24 1wfq s PHE 43 N -3.43 3.41 -0.13 0.29 5.36 -1.26 -0.74 117.98 121.48 1wfq s PHE 43 Ca 0.60 -2.62 -0.06 0.00 -0.96 0.00 0.00 56.93 53.90 1wfq s PHE 43 Cb -0.11 -2.40 -0.04 0.00 -0.34 0.00 0.00 43.02 40.13 1wfq s PHE 43 CO 0.49 -0.91 0.07 -0.59 -1.46 0.00 0.00 175.22 172.82 1wfq s PHE 44 N 1.04 3.35 0.09 10.12 -0.71 0.15 -3.25 117.98 128.76 1wfq s PHE 44 Ca 0.02 0.27 -0.21 0.00 -1.04 0.00 0.00 56.93 55.97 1wfq s PHE 44 Cb -0.19 -1.94 -0.07 0.00 -1.21 0.00 0.00 43.02 39.61 1wfq s PHE 44 CO -0.07 0.46 0.63 -1.58 -1.34 0.00 0.00 175.22 173.32 1wfq s HIS 45 N -0.50 3.82 0.11 3.49 2.46 -1.26 -0.77 115.29 122.64 1wfq s HIS 45 Ca 0.10 1.37 0.17 0.00 0.47 0.00 0.00 55.06 57.17 1wfq s HIS 45 Cb -0.12 -2.59 0.91 0.00 -0.13 0.00 0.00 32.58 30.65 1wfq s HIS 45 CO 0.02 0.53 1.44 0.00 -2.47 0.00 0.00 174.74 174.26 1wfq h SER 47 N 0.00 0.23 0.30 0.00 0.87 -1.91 -3.33 113.55 109.71 1wfq h SER 47 Ca 0.00 -0.23 -0.01 0.00 -1.23 0.00 0.00 61.79 60.32 1wfq h SER 47 Cb 0.56 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.45 1wfq h SER 47 CO 0.00 1.13 -0.15 1.56 -0.53 0.00 0.00 176.83 178.85 1wfq h GLN 48 N 0.06 -0.39 -6.26 2.24 1.08 -0.51 -3.43 115.11 107.90 1wfq h GLN 48 Ca -0.07 0.03 -0.67 0.00 -1.45 0.00 0.00 58.65 56.49 1wfq h GLN 48 Cb 1.77 0.09 0.03 0.00 -0.05 0.00 0.00 27.48 29.32 1wfq h GLN 48 CO 0.16 -0.23 0.78 0.98 -0.95 0.00 0.00 178.83 179.56 1wfq n TYR 49 N -5.25 1.96 0.11 2.96 9.36 -1.23 -3.11 117.16 121.97 1wfq n TYR 49 Ca -0.10 0.43 -0.21 0.00 3.32 0.00 0.00 57.90 61.34 1wfq n TYR 49 Cb 0.19 -2.47 -0.13 0.00 -0.63 0.00 0.00 39.34 36.30 1wfq n TYR 49 CO 0.00 0.00 0.00 -0.97 0.22 0.00 0.00 176.86 176.11 1wfq h ASN 50 N 6.53 0.76 0.00 2.98 -0.73 -1.79 -3.46 115.58 119.87 1wfq h ASN 50 Ca -0.47 -0.74 0.00 0.00 1.87 0.00 0.00 56.30 56.96 1wfq h ASN 50 Cb 1.31 -0.24 0.00 0.00 0.27 0.00 0.00 38.32 39.65 1wfq h ASN 50 CO 0.89 1.56 0.00 0.61 -0.37 0.00 0.00 177.43 180.12 1wfq n GLY 51 N 1.47 -2.53 2.89 1.57 0.00 -1.26 -5.00 105.19 102.33 1wfq n GLY 51 Ca -0.13 -0.87 -0.29 0.00 0.00 0.00 0.00 46.02 44.73 1wfq n GLY 51 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wfq s ASN 52 N -1.76 3.33 0.25 1.61 4.22 -1.26 -5.00 114.94 116.32 1wfq s ASN 52 Ca 0.00 -0.94 0.09 0.00 -2.14 0.00 0.00 52.86 49.88 1wfq s ASN 52 Cb 0.00 -0.99 0.78 0.00 1.28 0.00 0.00 41.25 42.33 1wfq s ASN 52 CO 0.00 -0.23 1.12 0.18 -2.04 0.00 0.00 177.10 176.13 1wfq n LEU 53 N 4.81 0.11 -0.27 3.54 7.99 -1.26 0.12 117.00 132.04 1wfq n LEU 53 Ca -0.12 1.19 0.03 0.00 -0.01 0.00 0.00 56.01 57.11 1wfq n LEU 53 Cb 0.46 -0.52 0.11 0.00 -0.11 0.00 0.00 43.42 43.36 1wfq n LEU 53 CO 0.17 -1.28 0.73 1.56 -1.51 0.00 0.00 177.39 177.05 1wfq h GLN 54 N 0.00 0.01 -0.40 3.23 1.08 -2.01 0.36 115.11 117.38 1wfq h GLN 54 Ca 0.53 -0.00 -0.10 0.00 -1.45 0.00 0.00 58.65 57.63 1wfq h GLN 54 Cb 1.30 -0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.71 1wfq h GLN 54 CO -0.60 0.01 -0.18 -0.44 -0.95 0.00 0.00 178.83 176.67 1wfq h ASP 55 N 0.01 0.76 -4.07 1.46 5.19 0.59 -3.44 116.42 116.93 1wfq h ASP 55 Ca 0.39 -0.25 -0.51 0.00 -0.62 0.00 0.00 57.03 56.03 1wfq h ASP 55 Cb 0.62 -0.21 0.09 0.00 0.18 0.00 0.00 39.33 40.01 1wfq h ASP 55 CO -0.79 0.94 0.46 -0.22 -3.12 0.00 0.00 179.24 176.52 1wfq s LEU 56 N -8.94 3.79 0.20 1.55 2.96 0.13 -5.04 118.68 113.31 1wfq s LEU 56 Ca -0.09 2.30 -0.18 0.00 -0.22 0.00 0.00 54.13 55.93 1wfq s LEU 56 Cb 0.13 -4.50 0.03 0.00 0.50 0.00 0.00 46.19 42.36 1wfq s LEU 56 CO 0.83 -1.28 0.54 -1.59 -1.32 0.00 0.00 176.35 173.53 1wfq s LYS 57 N -3.15 1.40 -0.19 1.98 -2.85 -1.26 -4.92 119.74 110.74 1wfq s LYS 57 Ca 0.72 -0.84 -0.29 0.00 -1.00 0.00 0.00 55.97 54.56 1wfq s LYS 57 Cb -0.28 0.53 -0.01 0.00 -2.06 0.00 0.00 37.83 36.01 1wfq s LYS 57 CO 0.31 -0.60 1.28 0.08 0.10 0.00 0.00 175.35 176.53 1wfq s VAL 58 N -3.87 4.24 0.00 1.79 1.01 -1.26 -3.35 120.40 118.96 1wfq s VAL 58 Ca 0.09 1.47 0.00 0.00 0.00 0.00 0.00 61.98 63.54 1wfq s VAL 58 Cb -0.01 -4.02 0.00 0.00 0.00 0.00 0.00 36.38 32.34 1wfq s VAL 58 CO -0.03 -0.21 0.00 0.61 0.00 0.00 0.00 175.10 175.47 1wfq n GLY 59 N 3.78 1.52 3.26 4.51 0.00 -0.31 -4.98 105.19 112.97 1wfq n GLY 59 Ca 0.14 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 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 2.72 0.30 1.61 1.11 -1.21 -4.91 116.67 114.29 1wfq s ASP 60 Ca 0.00 -0.42 -0.29 0.00 0.18 0.00 0.00 52.55 52.02 1wfq s ASP 60 Cb 0.00 -0.33 -0.10 0.00 1.07 0.00 0.00 42.92 43.56 1wfq s ASP 60 CO 0.00 0.28 1.32 -1.81 1.18 0.00 0.00 175.17 176.14 1wfq s ASP 61 N -0.52 6.80 -0.14 0.27 1.11 -1.26 -3.17 116.67 119.76 1wfq s ASP 61 Ca 0.08 2.63 -0.15 0.00 0.18 0.00 0.00 52.55 55.29 1wfq s ASP 61 Cb -0.09 -2.64 0.04 0.00 1.07 0.00 0.00 42.92 41.30 1wfq s ASP 61 CO -0.01 -0.54 0.42 0.68 1.18 0.00 0.00 175.17 176.91 1wfq s VAL 62 N -0.83 0.01 -0.17 -1.27 -7.23 -1.25 -3.51 120.40 106.15 1wfq s VAL 62 Ca 0.51 -0.06 -0.11 0.00 -1.81 0.00 0.00 61.98 60.51 1wfq s VAL 62 Cb -0.39 -0.61 -0.05 0.00 0.56 0.00 0.00 36.38 35.89 1wfq s VAL 62 CO 0.49 -0.03 0.18 -0.70 -0.31 0.00 0.00 175.10 174.73 1wfq s GLU 63 N -0.03 4.06 0.30 4.82 2.12 0.56 -2.97 118.70 127.55 1wfq s GLU 63 Ca -0.02 -0.10 0.03 0.00 0.36 0.00 0.00 54.97 55.23 1wfq s GLU 63 Cb -0.03 -3.37 -0.03 0.00 0.26 0.00 0.00 34.13 30.96 1wfq s GLU 63 CO 0.01 0.39 0.29 -0.59 -0.54 0.00 0.00 175.26 174.82 1wfq s PHE 64 N 0.08 1.45 -0.11 5.30 -0.71 0.38 -0.18 117.98 124.19 1wfq s PHE 64 Ca 0.12 -1.50 0.03 0.00 -1.04 0.00 0.00 56.93 54.54 1wfq s PHE 64 Cb -0.12 -0.53 0.01 0.00 -1.21 0.00 0.00 43.02 41.17 1wfq s PHE 64 CO 0.01 -0.88 -0.20 -2.00 -1.34 0.00 0.00 175.22 170.81 1wfq s GLU 65 N -3.55 2.69 -0.33 1.99 2.56 -0.78 0.77 118.70 122.04 1wfq s GLU 65 Ca 0.38 -0.74 -0.29 0.00 0.00 0.00 0.00 54.97 54.32 1wfq s GLU 65 Cb 0.03 -2.13 0.02 0.00 2.00 0.00 0.00 34.13 34.05 1wfq s GLU 65 CO 0.22 0.06 1.06 0.08 -0.56 0.00 0.00 175.26 176.12 1wfq s VAL 66 N 0.65 4.50 0.44 3.70 1.01 -1.26 -1.42 120.40 128.02 1wfq s VAL 66 Ca -0.13 1.66 0.03 0.00 0.00 0.00 0.00 61.98 63.55 1wfq s VAL 66 Cb -0.16 -4.42 -0.02 0.00 0.00 0.00 0.00 36.38 31.78 1wfq s VAL 66 CO 0.03 -0.51 0.10 -0.44 0.00 0.00 0.00 175.10 174.28 1wfq s SER 67 N 1.72 3.19 -0.09 3.32 0.01 0.38 -4.92 113.70 117.31 1wfq s SER 67 Ca 0.45 -1.70 0.01 0.00 1.31 0.00 0.00 55.95 56.01 1wfq s SER 67 Cb -0.12 0.57 -0.02 0.00 0.21 0.00 0.00 66.02 66.66 1wfq s SER 67 CO 0.17 -0.95 -0.10 -0.94 0.41 0.00 0.00 173.24 171.82 1wfq s SER 68 N -3.69 4.30 0.96 2.44 1.04 -1.26 -0.57 113.70 116.92 1wfq s SER 68 Ca 0.18 -0.17 -0.12 0.00 0.48 0.00 0.00 55.95 56.31 1wfq s SER 68 Cb 0.02 -1.27 0.17 0.00 0.10 0.00 0.00 66.02 65.03 1wfq s SER 68 CO 0.12 0.28 1.10 -0.62 0.98 0.00 0.00 173.24 175.10 1wfq s ASP 69 N -0.31 2.98 0.00 7.02 2.15 -1.09 -4.84 116.67 122.57 1wfq s ASP 69 Ca 0.03 1.17 0.24 0.00 0.43 0.00 0.00 52.55 54.42 1wfq s ASP 69 Cb -0.13 -1.82 0.33 0.00 -0.30 0.00 0.00 42.92 41.01 1wfq s ASP 69 CO 0.03 -2.91 1.35 0.54 -0.17 0.00 0.00 175.17 174.00 1wfq n ARG 70 N -4.03 2.40 -0.02 4.34 5.12 -1.26 -2.74 116.66 120.48 1wfq n ARG 70 Ca 0.06 -2.07 -0.04 0.00 -1.93 0.00 0.00 57.85 53.86 1wfq n ARG 70 Cb 0.57 -1.49 -0.01 0.00 -1.16 0.00 0.00 32.46 30.37 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 1.39 0.08 -0.00 5.56 1.74 -1.26 -4.82 116.66 119.35 1wfq n ARG 71 Ca 0.17 0.04 0.05 0.00 -0.77 0.00 0.00 57.85 57.33 1wfq n ARG 71 Cb 0.60 -0.64 -0.06 0.00 -1.02 0.00 0.00 32.46 31.33 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 -3.17 0.00 -1.04 0.55 -2.24 -1.26 -4.98 114.28 102.14 1wfq n THR 72 Ca -0.08 -0.26 -0.01 0.00 -2.27 0.00 0.00 64.05 61.43 1wfq n THR 72 Cb 0.56 0.83 -0.01 0.00 -2.10 0.00 0.00 70.33 69.61 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 1.39 0.15 3.76 3.38 0.00 -1.11 -4.86 105.19 107.91 1wfq n GLY 73 Ca 0.01 -0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.04 2.97 -0.61 1.61 -0.14 -1.26 -4.05 119.74 116.23 1wfq s LYS 74 Ca 0.00 1.60 -0.27 0.00 -1.36 0.00 0.00 55.97 55.94 1wfq s LYS 74 Cb 0.00 -1.95 -0.02 0.00 -1.68 0.00 0.00 37.83 34.17 1wfq s LYS 74 CO 0.00 -1.15 1.86 -1.25 -0.76 0.00 0.00 175.35 174.05 1wfq s PRO 75 N -3.62 2.64 0.35 -1.68 0.04 -1.25 -2.66 135.00 128.81 1wfq s PRO 75 Ca 0.72 0.62 0.08 0.00 0.04 0.00 0.00 61.00 62.47 1wfq s PRO 75 Cb -0.25 -4.38 -0.04 0.00 0.04 0.00 0.00 34.50 29.86 1wfq s PRO 75 CO 0.35 -2.72 0.12 0.96 0.04 0.00 0.00 177.00 175.75 1wfq s ILE 76 N 9.04 2.89 0.18 0.56 -4.36 0.26 -4.61 121.20 125.16 1wfq s ILE 76 Ca 0.67 -1.74 -0.09 0.00 -0.26 0.00 0.00 60.65 59.23 1wfq s ILE 76 Cb -0.13 -2.95 -0.07 0.00 1.25 0.00 0.00 42.46 40.57 1wfq s ILE 76 CO 0.21 -0.17 0.49 0.00 0.24 0.00 0.00 174.94 175.71 1wfq s ALA 77 N -2.46 3.64 0.07 2.27 0.00 -1.20 -0.47 121.76 123.62 1wfq s ALA 77 Ca 0.38 -0.33 -0.13 0.00 0.00 0.00 0.00 51.96 51.88 1wfq s ALA 77 Cb -0.02 -2.35 0.02 0.00 0.00 0.00 0.00 23.12 20.77 1wfq s ALA 77 CO 0.22 0.55 0.29 0.14 0.00 0.00 0.00 175.76 176.95 1wfq s VAL 78 N -1.67 0.10 -1.42 0.00 -7.23 -0.51 -4.44 120.40 105.23 1wfq s VAL 78 Ca 0.42 -0.81 -0.05 0.00 -1.81 0.00 0.00 61.98 59.74 1wfq s VAL 78 Cb -0.12 -1.10 0.03 0.00 0.56 0.00 0.00 36.38 35.75 1wfq s VAL 78 CO 0.21 -0.45 0.68 0.29 -0.31 0.00 0.00 175.10 175.52 1wfq n LYS 79 N 0.24 -4.37 -1.46 4.82 5.02 -1.25 -1.87 118.16 119.28 1wfq n LYS 79 Ca -0.17 0.52 -0.36 0.00 -2.02 0.00 0.00 58.31 56.29 1wfq n LYS 79 Cb 0.61 -5.03 0.09 0.00 -0.02 0.00 0.00 35.03 30.69 1wfq n LYS 79 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 1wfq n LEU 80 N -4.41 5.26 -3.62 -0.35 7.94 -1.18 -4.62 117.00 116.02 1wfq n LEU 80 Ca -0.20 0.72 -0.01 0.00 -1.11 0.00 0.00 56.01 55.41 1wfq n LEU 80 Cb 0.63 -1.53 -0.04 0.00 0.53 0.00 0.00 43.42 43.01 1wfq n LEU 80 CO 0.74 -1.34 0.31 0.68 -1.11 0.00 0.00 177.39 176.67 1wfq s VAL 81 N -1.70 -0.86 0.18 1.96 -7.23 0.74 -2.77 120.40 110.72 1wfq s VAL 81 Ca 0.79 0.00 -0.32 0.00 -1.81 0.00 0.00 61.98 60.64 1wfq s VAL 81 Cb -0.34 -1.00 -0.11 0.00 0.56 0.00 0.00 36.38 35.48 1wfq s VAL 81 CO 0.45 0.00 1.77 -0.75 -0.31 0.00 0.00 175.10 176.26 1wfq s LYS 82 N 2.75 4.13 0.02 4.82 2.20 -1.26 -0.33 119.74 132.06 1wfq s LYS 82 Ca -0.06 2.61 -0.25 0.00 -0.36 0.00 0.00 55.97 57.91 1wfq s LYS 82 Cb -0.11 -3.27 -0.17 0.00 -1.51 0.00 0.00 37.83 32.77 1wfq s LYS 82 CO -0.19 -0.79 1.34 0.82 -0.36 0.00 0.00 175.35 176.17 1wfq h ILE 83 N 4.14 0.88 -2.92 5.43 2.04 -1.89 -3.44 117.51 121.75 1wfq h ILE 83 Ca -0.44 -0.59 -0.37 0.00 1.00 0.00 0.00 64.86 64.45 1wfq h ILE 83 Cb 1.21 1.22 -0.38 0.00 -0.74 0.00 0.00 36.82 38.12 1wfq h ILE 83 CO 0.96 0.13 -0.69 -0.55 0.00 0.00 0.00 178.15 178.00 1wfq s SER 84 N -5.20 1.61 -0.30 1.72 0.15 -1.26 -5.08 113.70 105.35 1wfq s SER 84 Ca -0.15 -0.24 -0.15 0.00 0.70 0.00 0.00 55.95 56.11 1wfq s SER 84 Cb 0.03 0.06 0.16 0.00 -1.71 0.00 0.00 66.02 64.56 1wfq s SER 84 CO 0.59 -0.31 0.99 -0.83 1.20 0.00 0.00 173.24 174.88 1wfq s GLY 85 N 2.23 -0.14 0.76 9.45 0.00 -1.26 -4.93 107.32 113.43 1wfq s GLY 85 Ca 0.04 3.08 -0.11 0.00 0.00 0.00 0.00 44.72 47.73 1wfq s GLY 85 CO -0.09 3.10 1.09 2.56 0.00 0.00 0.00 173.10 179.76 1wfq s PRO 86 N 2.20 2.32 -0.03 2.90 0.04 -1.26 -4.99 135.00 136.18 1wfq s PRO 86 Ca -0.04 1.20 -0.25 0.00 0.04 0.00 0.00 61.00 61.95 1wfq s PRO 86 Cb -0.05 -1.90 -0.21 0.00 0.04 0.00 0.00 34.50 32.38 1wfq s PRO 86 CO -0.17 -1.60 1.16 0.66 0.04 0.00 0.00 177.00 177.10 1wfq h SER 87 N -0.98 0.13 -3.32 6.66 4.64 -2.02 -3.47 113.55 115.20 1wfq h SER 87 Ca -0.44 -0.62 -0.44 0.00 -0.47 0.00 0.00 61.79 59.83 1wfq h SER 87 Cb 1.23 -0.04 -0.14 0.00 -0.31 0.00 0.00 62.40 63.14 1wfq h SER 87 CO 0.52 0.73 -0.71 -0.94 -0.87 0.00 0.00 176.83 175.56 1wfq s SER 88 N -6.00 2.42 0.00 4.97 1.04 -1.26 -5.03 113.70 109.84 1wfq s SER 88 Ca -0.16 -1.09 0.00 0.00 0.48 0.00 0.00 55.95 55.18 1wfq s SER 88 Cb 0.02 -0.11 0.00 0.00 0.10 0.00 0.00 66.02 66.03 1wfq s SER 88 CO 0.71 -0.28 0.00 0.61 0.98 0.00 0.00 173.24 175.26