#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 0.35 0.03 1.61 0.15 -1.26 -5.07 113.70 109.51 1wfq s SER 2 Ca 0.00 -1.39 -0.23 0.00 0.70 0.00 0.00 55.95 55.02 1wfq s SER 2 Cb 0.00 0.43 -0.16 0.00 -1.71 0.00 0.00 66.02 64.58 1wfq s SER 2 CO 0.00 -0.91 1.44 0.28 1.20 0.00 0.00 173.24 175.24 1wfq h SER 3 N 2.50 0.11 -3.24 5.45 0.02 -2.02 -3.49 113.55 112.89 1wfq h SER 3 Ca -0.33 -0.33 -0.03 0.00 -0.84 0.00 0.00 61.79 60.26 1wfq h SER 3 Cb 1.25 -0.03 0.02 0.00 0.14 0.00 0.00 62.40 63.78 1wfq h SER 3 CO 0.49 0.42 -0.09 0.61 -1.14 0.00 0.00 176.83 177.12 1wfq n GLY 4 N -0.20 0.71 4.09 -3.77 0.00 -1.26 -4.01 105.19 100.74 1wfq n GLY 4 Ca -0.07 -0.19 -0.31 0.00 0.00 0.00 0.00 46.02 45.45 1wfq n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wfq n SER 5 N -1.67 -1.79 -2.18 1.61 7.64 -1.26 -4.86 113.62 111.11 1wfq n SER 5 Ca -0.01 -1.01 -0.27 0.00 1.01 0.00 0.00 58.87 58.60 1wfq n SER 5 Cb 0.51 -2.91 0.03 0.00 -1.01 0.00 0.00 64.21 60.83 1wfq n SER 5 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1wfq n SER 6 N -2.83 5.36 -4.89 6.43 3.41 -1.26 -5.05 113.62 114.79 1wfq n SER 6 Ca -0.13 -3.75 -0.29 0.00 -0.26 0.00 0.00 58.87 54.44 1wfq n SER 6 Cb 0.59 -0.47 0.04 0.00 -0.26 0.00 0.00 64.21 64.11 1wfq n SER 6 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1wfq s GLY 7 N -3.26 1.62 -0.42 5.00 0.00 -1.26 -5.03 107.32 103.97 1wfq s GLY 7 Ca 0.52 -0.42 -0.16 0.00 0.00 0.00 0.00 44.72 44.67 1wfq s GLY 7 CO -0.03 -0.06 0.36 -0.32 0.00 0.00 0.00 173.10 173.06 1wfq s GLY 8 N -4.36 1.97 0.08 0.20 0.00 -1.26 -5.04 107.32 98.91 1wfq s GLY 8 Ca 0.58 -1.68 -0.11 0.00 0.00 0.00 0.00 44.72 43.50 1wfq s GLY 8 CO 0.50 1.02 0.25 -2.52 0.00 0.00 0.00 173.10 172.36 1wfq s TYR 9 N 1.85 0.02 1.06 1.90 1.13 -1.26 -4.44 117.35 117.61 1wfq s TYR 9 Ca 0.07 -0.34 -0.14 0.00 -1.41 0.00 0.00 57.07 55.25 1wfq s TYR 9 Cb -0.19 0.03 0.22 0.00 -1.10 0.00 0.00 41.96 40.92 1wfq s TYR 9 CO 0.11 -0.54 1.10 -1.25 -2.51 0.00 0.00 175.55 172.46 1wfq s PRO 10 N -3.35 -0.08 -0.18 -3.49 0.04 -1.26 -5.10 135.00 121.57 1wfq s PRO 10 Ca 0.01 0.35 -0.24 0.00 0.04 0.00 0.00 61.00 61.15 1wfq s PRO 10 Cb 0.02 -1.69 -0.02 0.00 0.04 0.00 0.00 34.50 32.85 1wfq s PRO 10 CO -0.08 -3.04 0.79 1.21 0.04 0.00 0.00 177.00 175.92 1wfq s ASN 11 N -3.56 6.89 0.00 6.66 2.47 -1.26 -4.91 114.94 121.24 1wfq s ASN 11 Ca 0.67 1.10 0.00 0.00 0.42 0.00 0.00 52.86 55.05 1wfq s ASN 11 Cb -0.17 -2.43 0.00 0.00 -1.45 0.00 0.00 41.25 37.20 1wfq s ASN 11 CO 0.57 -0.38 0.00 0.61 -3.72 0.00 0.00 177.10 174.18 1wfq n GLY 12 N 3.55 -0.06 3.68 1.21 0.00 -1.26 -5.10 105.19 107.21 1wfq n GLY 12 Ca 0.03 -1.21 -0.42 0.00 0.00 0.00 0.00 46.02 44.42 1wfq n GLY 12 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wfq s THR 13 N -3.47 3.49 0.06 2.61 2.01 -1.26 -5.01 115.64 114.06 1wfq s THR 13 Ca 0.00 0.84 0.04 0.00 0.31 0.00 0.00 61.69 62.87 1wfq s THR 13 Cb 0.00 -3.54 -0.03 0.00 0.01 0.00 0.00 72.50 68.95 1wfq s THR 13 CO 0.00 -0.02 -0.11 -0.44 -0.69 0.00 0.00 174.62 173.36 1wfq s SER 14 N 2.34 1.31 0.00 3.53 0.01 -1.26 -5.01 113.70 114.61 1wfq s SER 14 Ca 0.69 -0.58 0.06 0.00 1.31 0.00 0.00 55.95 57.43 1wfq s SER 14 Cb -0.34 -0.01 0.28 0.00 0.21 0.00 0.00 66.02 66.15 1wfq s SER 14 CO 0.28 -0.13 1.16 0.00 0.41 0.00 0.00 173.24 174.97 1wfq n ALA 15 N 1.40 1.33 -2.40 1.44 0.00 -1.26 -4.67 120.51 116.35 1wfq n ALA 15 Ca -0.22 -0.02 -0.21 0.00 0.00 0.00 0.00 53.44 52.99 1wfq n ALA 15 Cb 0.54 -1.10 -0.03 0.00 0.00 0.00 0.00 19.45 18.86 1wfq n ALA 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wfq s ALA 16 N -2.89 3.96 -0.30 0.00 0.00 -1.26 -5.12 121.76 116.15 1wfq s ALA 16 Ca 0.04 -1.70 -0.05 0.00 0.00 0.00 0.00 51.96 50.24 1wfq s ALA 16 Cb 0.04 -1.20 0.18 0.00 0.00 0.00 0.00 23.12 22.15 1wfq s ALA 16 CO 0.11 -0.07 0.76 -1.17 0.00 0.00 0.00 175.76 175.39 1wfq s LEU 17 N -4.06 -1.06 -0.13 0.00 1.98 -1.26 -5.12 118.68 109.03 1wfq s LEU 17 Ca 0.44 0.68 -0.29 0.00 -2.89 0.00 0.00 54.13 52.07 1wfq s LEU 17 Cb -0.06 1.89 -0.02 0.00 0.66 0.00 0.00 46.19 48.67 1wfq s LEU 17 CO 0.28 -0.20 1.27 -0.13 -1.89 0.00 0.00 176.35 175.68 1wfq s ARG 18 N 2.89 4.26 0.23 1.98 1.81 -1.26 -4.49 118.95 124.36 1wfq s ARG 18 Ca 0.13 1.70 -0.02 0.00 -1.72 0.00 0.00 55.73 55.82 1wfq s ARG 18 Cb -0.13 -3.72 -0.04 0.00 -0.45 0.00 0.00 34.95 30.60 1wfq s ARG 18 CO -0.17 -0.65 0.44 -1.21 -0.68 0.00 0.00 175.30 173.02 1wfq s GLU 19 N 3.20 3.55 -0.01 3.54 2.02 0.12 -4.86 118.70 126.26 1wfq s GLU 19 Ca 0.56 -0.25 0.06 0.00 0.02 0.00 0.00 54.97 55.36 1wfq s GLU 19 Cb -0.23 -2.78 -0.02 0.00 0.10 0.00 0.00 34.13 31.20 1wfq s GLU 19 CO 0.17 0.34 -0.18 0.95 0.02 0.00 0.00 175.26 176.57 1wfq s THR 20 N -1.94 1.44 0.00 3.63 -4.23 -1.26 -0.97 115.64 112.31 1wfq s THR 20 Ca 0.40 -0.83 0.00 0.00 -1.18 0.00 0.00 61.69 60.08 1wfq s THR 20 Cb -0.11 -1.21 0.00 0.00 1.34 0.00 0.00 72.50 72.53 1wfq s THR 20 CO 0.29 0.36 0.00 0.61 -0.54 0.00 0.00 174.62 175.35 1wfq n GLY 21 N 2.52 3.89 3.36 3.99 0.00 -1.18 -3.60 105.19 114.17 1wfq n GLY 21 Ca -0.15 -0.29 -0.14 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 2.25 0.01 -0.74 1.61 0.11 -0.82 -3.87 120.40 118.95 1wfq s VAL 22 Ca 0.00 -0.10 -0.26 0.00 -2.93 0.00 0.00 61.98 58.69 1wfq s VAL 22 Cb 0.00 -0.69 -0.05 0.00 -1.53 0.00 0.00 36.38 34.12 1wfq s VAL 22 CO 0.00 -0.06 1.98 -0.63 -3.33 0.00 0.00 175.10 173.07 1wfq s ILE 23 N -0.26 3.34 0.02 7.04 -1.09 -0.98 0.87 121.20 130.14 1wfq s ILE 23 Ca -0.04 -0.07 -0.23 0.00 -2.23 0.00 0.00 60.65 58.07 1wfq s ILE 23 Cb -0.03 -3.82 -0.16 0.00 -1.58 0.00 0.00 42.46 36.86 1wfq s ILE 23 CO 0.03 -0.79 1.38 -0.08 -1.23 0.00 0.00 174.94 174.25 1wfq h GLU 24 N 13.59 0.15 -3.96 2.79 4.57 -1.54 -1.78 114.58 128.40 1wfq h GLU 24 Ca -0.09 -0.06 -0.15 0.00 -1.18 0.00 0.00 59.36 57.88 1wfq h GLU 24 Cb 1.09 -0.01 -0.19 0.00 -0.16 0.00 0.00 28.75 29.49 1wfq h GLU 24 CO 1.19 0.50 -0.64 0.21 -1.18 0.00 0.00 179.01 179.10 1wfq s LYS 25 N -4.61 0.45 -0.04 1.92 2.36 -0.90 -4.85 119.74 114.06 1wfq s LYS 25 Ca -0.15 -0.76 -0.04 0.00 -2.55 0.00 0.00 55.97 52.47 1wfq s LYS 25 Cb 0.04 0.17 0.01 0.00 -1.05 0.00 0.00 37.83 37.00 1wfq s LYS 25 CO 0.70 -0.09 0.11 -1.17 1.55 0.00 0.00 175.35 176.45 1wfq s LEU 26 N -1.93 1.46 0.00 5.43 2.96 -1.26 0.81 118.68 126.15 1wfq s LEU 26 Ca -0.08 0.23 0.01 0.00 -0.22 0.00 0.00 54.13 54.07 1wfq s LEU 26 Cb -0.04 0.36 -0.00 0.00 0.50 0.00 0.00 46.19 47.01 1wfq s LEU 26 CO -0.04 -0.05 0.05 0.18 -1.32 0.00 0.00 176.35 175.17 1wfq n LEU 27 N 3.20 0.00 0.14 -0.68 4.32 0.33 -4.94 117.00 119.37 1wfq n LEU 27 Ca -0.14 -1.65 0.13 0.00 -0.02 0.00 0.00 56.01 54.32 1wfq n LEU 27 Cb 0.58 0.41 0.30 0.00 -1.62 0.00 0.00 43.42 43.09 1wfq n LEU 27 CO 0.22 -0.25 0.82 0.74 -1.22 0.00 0.00 177.39 177.70 1wfq h THR 28 N 1.27 0.00 0.00 -5.08 2.02 -2.04 -3.34 112.91 105.74 1wfq h THR 28 Ca -0.19 -0.67 -0.26 0.00 0.77 0.00 0.00 66.41 66.06 1wfq h THR 28 Cb 0.65 1.64 -0.05 0.00 -1.74 0.00 0.00 68.15 68.65 1wfq h THR 28 CO 0.30 0.00 -2.00 -1.20 0.37 0.00 0.00 175.52 173.00 1wfq n SER 29 N -2.55 2.56 -2.75 4.18 7.64 -1.26 -5.05 113.62 116.40 1wfq n SER 29 Ca 0.05 -0.09 -0.07 0.00 1.01 0.00 0.00 58.87 59.77 1wfq n SER 29 Cb 0.47 -0.20 0.02 0.00 -1.01 0.00 0.00 64.21 63.49 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 -2.98 -1.98 -3.85 1.43 0.18 -1.25 -3.06 117.16 105.65 1wfq n TYR 30 Ca -0.31 -1.54 -0.09 0.00 1.88 0.00 0.00 57.90 57.85 1wfq n TYR 30 Cb 0.84 0.76 -0.07 0.00 -0.38 0.00 0.00 39.34 40.50 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 -3.00 0.14 0.02 -7.48 0.00 -0.19 0.12 107.32 96.94 1wfq s GLY 31 Ca 0.16 -0.61 0.02 0.00 0.00 0.00 0.00 44.72 44.29 1wfq s GLY 31 CO 0.09 -0.74 0.03 -1.36 0.00 0.00 0.00 173.10 171.12 1wfq s PHE 32 N -3.88 3.12 -0.16 1.90 0.40 0.24 0.27 117.98 119.87 1wfq s PHE 32 Ca 0.08 0.09 0.01 0.00 -0.60 0.00 0.00 56.93 56.50 1wfq s PHE 32 Cb 0.04 -1.66 0.02 0.00 0.51 0.00 0.00 43.02 41.93 1wfq s PHE 32 CO -0.08 0.49 -0.16 0.42 0.70 0.00 0.00 175.22 176.59 1wfq s ILE 33 N -1.17 1.73 -0.64 0.64 1.01 -0.43 -1.36 121.20 120.98 1wfq s ILE 33 Ca 0.22 -0.75 -0.28 0.00 0.00 0.00 0.00 60.65 59.85 1wfq s ILE 33 Cb -0.12 -1.61 0.03 0.00 0.01 0.00 0.00 42.46 40.77 1wfq s ILE 33 CO 0.13 0.47 1.24 -1.58 0.00 0.00 0.00 174.94 175.20 1wfq s GLN 34 N 1.42 3.39 -0.06 2.79 2.00 0.25 0.13 119.66 129.58 1wfq s GLN 34 Ca 0.05 0.09 -0.29 0.00 -2.00 0.00 0.00 55.36 53.20 1wfq s GLN 34 Cb -0.13 -4.08 -0.07 0.00 0.80 0.00 0.00 33.01 29.53 1wfq s GLN 34 CO -0.11 -1.86 2.08 0.00 -0.50 0.00 0.00 175.29 174.89 1wfq n SER 36 N 9.21 0.16 -0.07 0.00 7.64 -1.24 -0.56 113.62 128.76 1wfq n SER 36 Ca 0.24 -1.61 -0.13 0.00 1.01 0.00 0.00 58.87 58.37 1wfq n SER 36 Cb 0.42 -0.01 -0.06 0.00 -1.01 0.00 0.00 64.21 63.55 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 -0.60 0.34 0.00 1.43 1.02 -1.26 -4.66 120.64 116.91 1wfq n GLU 37 Ca 0.10 0.11 0.10 0.00 -0.02 0.00 0.00 57.16 57.46 1wfq n GLU 37 Cb 0.07 -1.16 -0.07 0.00 -0.02 0.00 0.00 31.44 30.26 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 -3.32 0.03 -3.30 3.49 1.85 -1.24 -4.99 116.66 109.19 1wfq n ARG 38 Ca -0.28 -0.01 -0.17 0.00 -1.00 0.00 0.00 57.85 56.39 1wfq n ARG 38 Cb 0.74 -1.50 0.07 0.00 -1.05 0.00 0.00 32.46 30.72 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 -1.54 -6.07 -4.13 2.89 6.02 0.28 -5.02 117.38 109.80 1wfq n GLN 39 Ca 0.04 0.71 -0.15 0.00 -0.01 0.00 0.00 57.00 57.59 1wfq n GLN 39 Cb 0.34 -5.35 -0.13 0.00 1.02 0.00 0.00 30.24 26.12 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 -3.29 0.49 -0.59 -1.58 0.00 -1.18 -4.94 121.76 110.67 1wfq s ALA 40 Ca 0.20 -0.42 -0.25 0.00 0.00 0.00 0.00 51.96 51.50 1wfq s ALA 40 Cb -0.09 -0.06 0.04 0.00 0.00 0.00 0.00 23.12 23.01 1wfq s ALA 40 CO 0.62 0.06 1.03 -0.98 0.00 0.00 0.00 175.76 176.49 1wfq s ARG 41 N -0.63 3.33 0.78 0.00 1.70 -1.26 -0.02 118.95 122.85 1wfq s ARG 41 Ca -0.02 -0.21 -0.09 0.00 -0.47 0.00 0.00 55.73 54.94 1wfq s ARG 41 Cb -0.05 -4.07 0.10 0.00 -0.57 0.00 0.00 34.95 30.35 1wfq s ARG 41 CO 0.00 -1.62 1.11 -0.51 -1.08 0.00 0.00 175.30 173.20 1wfq s LEU 42 N 4.34 2.74 -0.26 -1.89 1.43 0.12 -4.86 118.68 120.29 1wfq s LEU 42 Ca 0.33 0.42 0.01 0.00 -1.03 0.00 0.00 54.13 53.86 1wfq s LEU 42 Cb -0.11 -2.90 0.08 0.00 0.03 0.00 0.00 46.19 43.28 1wfq s LEU 42 CO 0.19 -1.90 0.01 0.12 0.23 0.00 0.00 176.35 174.99 1wfq s PHE 43 N -3.43 2.33 -0.11 0.29 5.36 -1.26 -1.31 117.98 119.85 1wfq s PHE 43 Ca 0.64 -1.87 -0.06 0.00 -0.96 0.00 0.00 56.93 54.68 1wfq s PHE 43 Cb -0.09 -1.77 -0.04 0.00 -0.34 0.00 0.00 43.02 40.78 1wfq s PHE 43 CO 0.47 -0.81 0.11 -0.59 -1.46 0.00 0.00 175.22 172.94 1wfq s PHE 44 N 1.41 3.50 -0.00 10.12 -0.12 0.14 -3.10 117.98 129.93 1wfq s PHE 44 Ca 0.01 0.45 -0.13 0.00 -0.05 0.00 0.00 56.93 57.21 1wfq s PHE 44 Cb -0.18 -1.90 -0.05 0.00 -0.63 0.00 0.00 43.02 40.25 1wfq s PHE 44 CO -0.11 0.68 0.36 -1.58 -0.05 0.00 0.00 175.22 174.52 1wfq s HIS 45 N -1.02 3.68 0.55 3.49 5.65 -1.26 -1.02 115.29 125.36 1wfq s HIS 45 Ca 0.15 0.88 0.24 0.00 0.25 0.00 0.00 55.06 56.59 1wfq s HIS 45 Cb -0.12 -2.21 1.33 0.00 -1.18 0.00 0.00 32.58 30.41 1wfq s HIS 45 CO 0.05 0.64 1.73 0.00 -0.65 0.00 0.00 174.74 176.51 1wfq h SER 47 N 0.00 0.12 0.04 0.00 0.87 -1.92 -3.31 113.55 109.34 1wfq h SER 47 Ca 0.00 -0.11 -0.00 0.00 -1.23 0.00 0.00 61.79 60.45 1wfq h SER 47 Cb 0.76 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.69 1wfq h SER 47 CO 0.00 1.00 -0.02 1.56 -0.53 0.00 0.00 176.83 178.84 1wfq h GLN 48 N 0.03 -0.05 -6.44 2.24 1.08 -0.24 -3.43 115.11 108.31 1wfq h GLN 48 Ca -0.03 0.00 -0.59 0.00 -1.45 0.00 0.00 58.65 56.58 1wfq h GLN 48 Cb 1.65 0.01 0.05 0.00 -0.05 0.00 0.00 27.48 29.14 1wfq h GLN 48 CO 0.13 0.10 0.86 0.98 -0.95 0.00 0.00 178.83 179.95 1wfq n TYR 49 N -5.05 2.27 0.09 2.96 9.36 -1.21 -2.61 117.16 122.97 1wfq n TYR 49 Ca -0.08 0.21 -0.16 0.00 3.32 0.00 0.00 57.90 61.19 1wfq n TYR 49 Cb 0.11 -2.57 -0.09 0.00 -0.63 0.00 0.00 39.34 36.15 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 6.68 0.56 0.00 2.98 -1.24 -1.80 -3.46 115.58 119.31 1wfq h ASN 50 Ca -0.46 -0.52 0.00 0.00 0.71 0.00 0.00 56.30 56.04 1wfq h ASN 50 Cb 1.26 -0.18 0.00 0.00 0.73 0.00 0.00 38.32 40.13 1wfq h ASN 50 CO 0.90 1.35 0.00 0.61 -1.29 0.00 0.00 177.43 179.00 1wfq n GLY 51 N 1.24 -0.64 3.06 1.57 0.00 -1.26 -5.03 105.19 104.14 1wfq n GLY 51 Ca -0.09 -1.20 -0.32 0.00 0.00 0.00 0.00 46.02 44.42 1wfq n GLY 51 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1wfq s ASN 52 N -1.35 3.05 0.48 1.61 -0.87 -1.26 -4.99 114.94 111.61 1wfq s ASN 52 Ca 0.00 -0.65 0.33 0.00 -1.57 0.00 0.00 52.86 50.98 1wfq s ASN 52 Cb 0.00 -1.34 1.46 0.00 -0.02 0.00 0.00 41.25 41.35 1wfq s ASN 52 CO 0.00 -0.05 1.69 -0.07 -2.57 0.00 0.00 177.10 176.11 1wfq h LEU 53 N 7.98 0.17 -0.89 0.60 -0.00 -1.92 0.49 115.31 121.73 1wfq h LEU 53 Ca -0.40 0.06 0.15 0.00 -0.00 0.00 0.00 57.88 57.69 1wfq h LEU 53 Cb 1.13 0.05 -0.09 0.00 -0.00 0.00 0.00 40.66 41.74 1wfq h LEU 53 CO 0.57 -0.05 0.50 1.56 -0.00 0.00 0.00 178.44 181.02 1wfq h GLN 54 N 0.11 0.69 -0.11 1.13 4.20 -2.01 -0.52 115.11 118.59 1wfq h GLN 54 Ca 0.73 -0.04 -0.19 0.00 0.06 0.00 0.00 58.65 59.21 1wfq h GLN 54 Cb 2.51 -0.15 -0.00 0.00 0.30 0.00 0.00 27.48 30.14 1wfq h GLN 54 CO -0.21 0.45 -0.70 0.22 -0.67 0.00 0.00 178.83 177.93 1wfq h ASP 55 N 0.71 0.59 -4.02 1.46 3.58 -0.45 -3.45 116.42 114.84 1wfq h ASP 55 Ca 0.48 -0.37 -0.49 0.00 0.42 0.00 0.00 57.03 57.07 1wfq h ASP 55 Cb 0.66 -0.17 0.17 0.00 1.72 0.00 0.00 39.33 41.71 1wfq h ASP 55 CO -0.35 1.12 0.21 -0.22 -2.88 0.00 0.00 179.24 177.12 1wfq s LEU 56 N -8.11 2.28 0.02 2.28 2.96 -0.21 -5.06 118.68 112.84 1wfq s LEU 56 Ca -0.07 1.75 -0.28 0.00 -0.22 0.00 0.00 54.13 55.32 1wfq s LEU 56 Cb 0.10 -4.11 0.10 0.00 0.50 0.00 0.00 46.19 42.78 1wfq s LEU 56 CO 0.85 -2.99 0.91 -1.59 -1.32 0.00 0.00 176.35 172.22 1wfq s LYS 57 N -4.75 0.88 -0.22 1.98 -2.85 -1.26 -4.97 119.74 108.54 1wfq s LYS 57 Ca 0.65 -0.37 -0.29 0.00 -1.00 0.00 0.00 55.97 54.96 1wfq s LYS 57 Cb -0.21 0.38 -0.00 0.00 -2.06 0.00 0.00 37.83 35.94 1wfq s LYS 57 CO 0.59 -0.39 1.23 0.08 0.10 0.00 0.00 175.35 176.95 1wfq s VAL 58 N -3.13 4.32 0.00 1.79 1.01 -1.26 -3.43 120.40 119.70 1wfq s VAL 58 Ca 0.07 1.57 0.00 0.00 0.00 0.00 0.00 61.98 63.61 1wfq s VAL 58 Cb -0.01 -4.12 0.00 0.00 0.00 0.00 0.00 36.38 32.25 1wfq s VAL 58 CO -0.07 -0.26 0.00 0.61 0.00 0.00 0.00 175.10 175.38 1wfq n GLY 59 N 3.78 1.60 3.32 4.51 0.00 -0.67 -4.98 105.19 112.75 1wfq n GLY 59 Ca 0.14 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.89 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 2.89 0.36 1.61 1.11 -1.22 -4.90 116.67 114.51 1wfq s ASP 60 Ca 0.00 -0.65 -0.26 0.00 0.18 0.00 0.00 52.55 51.82 1wfq s ASP 60 Cb 0.00 -0.21 -0.09 0.00 1.07 0.00 0.00 42.92 43.69 1wfq s ASP 60 CO 0.00 0.16 1.07 -1.81 1.18 0.00 0.00 175.17 175.77 1wfq s ASP 61 N -1.64 6.90 -0.15 0.27 1.11 -1.26 -2.33 116.67 119.57 1wfq s ASP 61 Ca 0.10 2.14 -0.19 0.00 0.18 0.00 0.00 52.55 54.78 1wfq s ASP 61 Cb -0.10 -2.60 0.05 0.00 1.07 0.00 0.00 42.92 41.34 1wfq s ASP 61 CO 0.04 -0.39 0.51 0.68 1.18 0.00 0.00 175.17 177.18 1wfq s VAL 62 N -1.47 0.01 -0.11 -1.27 -7.23 -1.25 -3.68 120.40 105.40 1wfq s VAL 62 Ca 0.53 -0.07 -0.10 0.00 -1.81 0.00 0.00 61.98 60.53 1wfq s VAL 62 Cb -0.26 -0.74 -0.05 0.00 0.56 0.00 0.00 36.38 35.89 1wfq s VAL 62 CO 0.33 -0.04 0.22 -0.70 -0.31 0.00 0.00 175.10 174.60 1wfq s GLU 63 N -0.18 3.75 0.32 4.82 2.12 0.91 -3.08 118.70 127.36 1wfq s GLU 63 Ca -0.04 0.02 -0.04 0.00 0.36 0.00 0.00 54.97 55.27 1wfq s GLU 63 Cb -0.03 -3.26 -0.00 0.00 0.26 0.00 0.00 34.13 31.10 1wfq s GLU 63 CO 0.03 0.63 0.45 -0.59 -0.54 0.00 0.00 175.26 175.24 1wfq s PHE 64 N -0.68 0.98 -0.09 5.30 -0.12 -0.14 0.17 117.98 123.40 1wfq s PHE 64 Ca 0.16 -1.23 0.03 0.00 -0.05 0.00 0.00 56.93 55.85 1wfq s PHE 64 Cb -0.13 -0.09 0.01 0.00 -0.63 0.00 0.00 43.02 42.18 1wfq s PHE 64 CO 0.05 -1.08 -0.19 -2.00 -0.05 0.00 0.00 175.22 171.95 1wfq s GLU 65 N -3.27 2.56 -0.29 1.99 2.56 -0.60 0.11 118.70 121.77 1wfq s GLU 65 Ca 0.30 -0.71 -0.29 0.00 0.00 0.00 0.00 54.97 54.28 1wfq s GLU 65 Cb 0.00 -2.01 0.01 0.00 2.00 0.00 0.00 34.13 34.14 1wfq s GLU 65 CO 0.18 0.09 1.05 0.08 -0.56 0.00 0.00 175.26 176.11 1wfq s VAL 66 N 0.55 4.57 0.37 3.70 1.01 -1.26 -1.26 120.40 128.08 1wfq s VAL 66 Ca -0.15 1.81 0.04 0.00 0.00 0.00 0.00 61.98 63.68 1wfq s VAL 66 Cb -0.17 -4.37 -0.03 0.00 0.00 0.00 0.00 36.38 31.81 1wfq s VAL 66 CO 0.05 -0.38 0.14 -0.55 0.00 0.00 0.00 175.10 174.37 1wfq s SER 67 N 1.51 2.36 -0.12 3.32 0.15 0.41 -4.94 113.70 116.39 1wfq s SER 67 Ca 0.44 -1.63 -0.02 0.00 0.70 0.00 0.00 55.95 55.45 1wfq s SER 67 Cb -0.13 0.43 -0.03 0.00 -1.71 0.00 0.00 66.02 64.58 1wfq s SER 67 CO 0.12 -0.90 -0.05 -0.94 1.20 0.00 0.00 173.24 172.67 1wfq s SER 68 N -3.52 4.76 1.05 5.45 1.04 -1.26 -0.36 113.70 120.86 1wfq s SER 68 Ca 0.29 -0.09 -0.12 0.00 0.48 0.00 0.00 55.95 56.51 1wfq s SER 68 Cb 0.04 -1.59 0.22 0.00 0.10 0.00 0.00 66.02 64.78 1wfq s SER 68 CO 0.16 0.24 1.07 -0.62 0.98 0.00 0.00 173.24 175.08 1wfq s ASP 69 N -0.06 2.12 0.00 7.02 2.15 -0.98 -4.83 116.67 122.09 1wfq s ASP 69 Ca 0.01 1.29 0.21 0.00 0.43 0.00 0.00 52.55 54.49 1wfq s ASP 69 Cb -0.13 -1.99 0.16 0.00 -0.30 0.00 0.00 42.92 40.66 1wfq s ASP 69 CO 0.03 -3.46 1.17 0.54 -0.17 0.00 0.00 175.17 173.27 1wfq n ARG 70 N -4.40 1.93 -0.02 4.34 5.12 -1.26 -2.68 116.66 119.69 1wfq n ARG 70 Ca 0.05 -1.74 -0.02 0.00 -1.93 0.00 0.00 57.85 54.20 1wfq n ARG 70 Cb 0.56 -1.41 -0.01 0.00 -1.16 0.00 0.00 32.46 30.44 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 1.16 0.08 0.00 5.56 5.12 -1.26 -4.80 116.66 122.52 1wfq n ARG 71 Ca 0.12 0.02 0.01 0.00 -1.93 0.00 0.00 57.85 56.07 1wfq n ARG 71 Cb 0.53 -1.05 -0.02 0.00 -1.16 0.00 0.00 32.46 30.77 1wfq n ARG 71 CO 0.00 0.00 0.00 0.25 -1.93 0.00 0.00 177.63 175.95 1wfq n THR 72 N -2.61 0.00 -1.44 0.55 -2.24 -1.26 -4.99 114.28 102.29 1wfq n THR 72 Ca -0.05 -0.44 -0.15 0.00 -2.27 0.00 0.00 64.05 61.14 1wfq n THR 72 Cb 0.56 1.00 -0.07 0.00 -2.10 0.00 0.00 70.33 69.72 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 1.05 1.46 3.83 3.38 0.00 -1.09 -4.85 105.19 108.97 1wfq n GLY 73 Ca 0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 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 -3.29 3.93 -0.73 1.61 -0.14 -1.26 -4.25 119.74 115.61 1wfq s LYS 74 Ca 0.00 1.04 -0.26 0.00 -1.36 0.00 0.00 55.97 55.39 1wfq s LYS 74 Cb 0.00 -2.13 -0.03 0.00 -1.68 0.00 0.00 37.83 33.99 1wfq s LYS 74 CO 0.00 -0.29 1.90 -1.25 -0.76 0.00 0.00 175.35 174.95 1wfq s PRO 75 N -3.85 2.60 0.39 -1.68 0.04 -1.25 -2.32 135.00 128.93 1wfq s PRO 75 Ca 0.60 0.24 0.08 0.00 0.04 0.00 0.00 61.00 61.96 1wfq s PRO 75 Cb -0.11 -4.66 -0.04 0.00 0.04 0.00 0.00 34.50 29.73 1wfq s PRO 75 CO 0.28 -3.00 0.26 0.96 0.04 0.00 0.00 177.00 175.53 1wfq s ILE 76 N 9.50 2.68 0.22 0.56 -4.36 0.51 -4.61 121.20 125.70 1wfq s ILE 76 Ca 0.68 -1.54 -0.04 0.00 -0.26 0.00 0.00 60.65 59.50 1wfq s ILE 76 Cb -0.10 -3.01 -0.05 0.00 1.25 0.00 0.00 42.46 40.55 1wfq s ILE 76 CO 0.12 -0.05 0.46 0.00 0.24 0.00 0.00 174.94 175.71 1wfq s ALA 77 N -2.49 3.72 0.09 2.27 0.00 -1.18 -0.44 121.76 123.72 1wfq s ALA 77 Ca 0.43 -0.61 -0.16 0.00 0.00 0.00 0.00 51.96 51.62 1wfq s ALA 77 Cb -0.01 -2.18 0.03 0.00 0.00 0.00 0.00 23.12 20.96 1wfq s ALA 77 CO 0.25 0.42 0.39 0.14 0.00 0.00 0.00 175.76 176.96 1wfq s VAL 78 N -1.90 0.07 -1.41 0.00 -7.23 -0.39 -4.49 120.40 105.06 1wfq s VAL 78 Ca 0.42 -0.58 -0.03 0.00 -1.81 0.00 0.00 61.98 59.98 1wfq s VAL 78 Cb -0.11 -1.09 0.02 0.00 0.56 0.00 0.00 36.38 35.76 1wfq s VAL 78 CO 0.28 -0.32 0.61 0.29 -0.31 0.00 0.00 175.10 175.64 1wfq n LYS 79 N 0.08 -4.12 -1.00 4.82 4.76 -1.23 -1.55 118.16 119.92 1wfq n LYS 79 Ca -0.17 0.50 -0.33 0.00 -2.87 0.00 0.00 58.31 55.45 1wfq n LYS 79 Cb 0.62 -4.91 0.14 0.00 -1.84 0.00 0.00 35.03 29.03 1wfq n LYS 79 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 1wfq s LEU 80 N -6.92 3.05 -0.30 -0.35 2.96 -1.07 -4.60 118.68 111.45 1wfq s LEU 80 Ca 0.13 2.30 -0.13 0.00 -0.22 0.00 0.00 54.13 56.21 1wfq s LEU 80 Cb -0.07 -4.58 0.14 0.00 0.50 0.00 0.00 46.19 42.18 1wfq s LEU 80 CO 0.86 -2.78 0.82 0.68 -1.32 0.00 0.00 176.35 174.61 1wfq s VAL 81 N -2.32 -0.57 0.09 1.68 -7.23 0.13 -2.89 120.40 109.29 1wfq s VAL 81 Ca 0.71 0.00 -0.31 0.00 -1.81 0.00 0.00 61.98 60.57 1wfq s VAL 81 Cb -0.27 -1.00 -0.09 0.00 0.56 0.00 0.00 36.38 35.58 1wfq s VAL 81 CO 0.53 0.00 1.79 -0.75 -0.31 0.00 0.00 175.10 176.35 1wfq s LYS 82 N 2.39 4.16 0.04 4.82 2.20 -1.26 -0.06 119.74 132.03 1wfq s LYS 82 Ca -0.06 2.50 -0.25 0.00 -0.36 0.00 0.00 55.97 57.81 1wfq s LYS 82 Cb -0.08 -3.67 -0.17 0.00 -1.51 0.00 0.00 37.83 32.40 1wfq s LYS 82 CO -0.18 -0.82 1.52 0.82 -0.36 0.00 0.00 175.35 176.32 1wfq h ILE 83 N 4.86 0.99 -3.54 5.43 2.04 -1.90 -3.40 117.51 122.00 1wfq h ILE 83 Ca -0.45 -0.41 -0.71 0.00 1.00 0.00 0.00 64.86 64.28 1wfq h ILE 83 Cb 1.21 1.25 -0.24 0.00 -0.74 0.00 0.00 36.82 38.31 1wfq h ILE 83 CO 0.94 0.10 -0.48 -0.55 0.00 0.00 0.00 178.15 178.16 1wfq s SER 84 N -5.23 5.85 0.00 1.72 0.15 -1.26 -4.90 113.70 110.02 1wfq s SER 84 Ca -0.14 -1.02 0.00 0.00 0.70 0.00 0.00 55.95 55.49 1wfq s SER 84 Cb 0.04 -2.07 0.00 0.00 -1.71 0.00 0.00 66.02 62.28 1wfq s SER 84 CO 0.64 -0.43 0.00 0.61 1.20 0.00 0.00 173.24 175.27 1wfq n GLY 85 N 5.05 -1.97 0.00 9.45 0.00 -1.26 -5.00 105.19 111.45 1wfq n GLY 85 Ca -0.11 0.94 0.05 0.00 0.00 0.00 0.00 46.02 46.90 1wfq n GLY 85 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wfq n PRO 86 N 0.00 0.48 -3.48 1.61 -0.04 -1.26 -4.83 135.00 127.49 1wfq n PRO 86 Ca 0.00 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.26 1wfq n PRO 86 Cb 0.00 -1.32 0.08 0.00 -0.04 0.00 0.00 33.50 32.22 1wfq n PRO 86 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1wfq n SER 87 N -0.82 -4.39 -4.88 3.54 7.64 -1.26 -4.99 113.62 108.45 1wfq n SER 87 Ca 0.08 -0.55 -0.35 0.00 1.01 0.00 0.00 58.87 59.05 1wfq n SER 87 Cb 0.03 -4.90 -0.06 0.00 -1.01 0.00 0.00 64.21 58.28 1wfq n SER 87 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1wfq s SER 88 N -3.75 6.51 0.00 6.43 0.01 -1.26 -5.26 113.70 116.38 1wfq s SER 88 Ca 0.32 0.59 0.25 0.00 1.31 0.00 0.00 55.95 58.42 1wfq s SER 88 Cb -0.14 -2.10 0.43 0.00 0.21 0.00 0.00 66.02 64.42 1wfq s SER 88 CO 0.70 0.30 1.40 0.61 0.41 0.00 0.00 173.24 176.65