#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wf7 s SER 2 N 0.00 2.76 -0.15 1.61 1.04 -1.26 -5.15 113.70 112.55 1wf7 s SER 2 Ca 0.00 -0.91 -0.22 0.00 0.48 0.00 0.00 55.95 55.30 1wf7 s SER 2 Cb 0.00 -0.17 0.05 0.00 0.10 0.00 0.00 66.02 66.01 1wf7 s SER 2 CO 0.00 -0.05 0.56 -0.55 0.98 0.00 0.00 173.24 174.18 1wf7 s SER 3 N -2.88 -0.56 0.00 7.02 0.15 -1.26 -5.06 113.70 111.11 1wf7 s SER 3 Ca 0.19 0.92 0.00 0.00 0.70 0.00 0.00 55.95 57.75 1wf7 s SER 3 Cb -0.05 0.92 0.00 0.00 -1.71 0.00 0.00 66.02 65.19 1wf7 s SER 3 CO 0.07 -0.32 0.00 0.61 1.20 0.00 0.00 173.24 174.80 1wf7 n GLY 4 N 2.17 0.33 3.60 9.45 0.00 -1.26 -5.15 105.19 114.33 1wf7 n GLY 4 Ca -0.16 -0.67 -0.05 0.00 0.00 0.00 0.00 46.02 45.14 1wf7 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wf7 s SER 5 N -0.02 -0.18 0.00 1.61 0.01 -1.26 -5.11 113.70 108.75 1wf7 s SER 5 Ca 0.00 0.13 0.00 0.00 1.31 0.00 0.00 55.95 57.39 1wf7 s SER 5 Cb 0.00 0.16 0.00 0.00 0.21 0.00 0.00 66.02 66.39 1wf7 s SER 5 CO 0.00 -0.21 0.00 -1.20 0.41 0.00 0.00 173.24 172.24 1wf7 n SER 6 N 0.35 0.00 0.00 2.44 7.64 -1.26 -5.01 113.62 117.78 1wf7 n SER 6 Ca -0.03 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.85 1wf7 n SER 6 Cb 0.58 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.78 1wf7 n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wf7 n GLY 7 N 2.55 2.28 3.81 0.23 0.00 -1.25 -4.58 105.19 108.23 1wf7 n GLY 7 Ca 0.00 0.02 -0.24 0.00 0.00 0.00 0.00 46.02 45.80 1wf7 n GLY 7 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wf7 s SER 8 N 0.00 5.54 0.13 1.61 1.04 -1.26 0.05 113.70 120.80 1wf7 s SER 8 Ca 0.00 -0.19 -0.05 0.00 0.48 0.00 0.00 55.95 56.19 1wf7 s SER 8 Cb 0.00 -1.43 -0.02 0.00 0.10 0.00 0.00 66.02 64.67 1wf7 s SER 8 CO 0.00 0.01 0.16 0.54 0.98 0.00 0.00 173.24 174.93 1wf7 s VAL 9 N -1.94 0.10 -0.04 5.02 0.11 -0.80 -4.96 120.40 117.89 1wf7 s VAL 9 Ca 0.32 -1.58 -0.00 0.00 -2.93 0.00 0.00 61.98 57.78 1wf7 s VAL 9 Cb -0.09 -1.81 0.03 0.00 -1.53 0.00 0.00 36.38 32.97 1wf7 s VAL 9 CO 0.24 -0.47 0.01 -0.55 -3.33 0.00 0.00 175.10 171.00 1wf7 s SER 10 N -2.98 0.84 0.17 3.54 0.15 -1.25 -2.94 113.70 111.23 1wf7 s SER 10 Ca 0.17 -0.03 0.07 0.00 0.70 0.00 0.00 55.95 56.86 1wf7 s SER 10 Cb 0.05 -0.28 -0.04 0.00 -1.71 0.00 0.00 66.02 64.05 1wf7 s SER 10 CO -0.02 -0.14 -0.02 -0.76 1.20 0.00 0.00 173.24 173.50 1wf7 s LEU 11 N 1.41 3.27 -0.29 3.45 1.43 -0.68 -4.90 118.68 122.36 1wf7 s LEU 11 Ca -0.04 -0.41 0.02 0.00 -1.03 0.00 0.00 54.13 52.66 1wf7 s LEU 11 Cb -0.13 -1.93 0.07 0.00 0.03 0.00 0.00 46.19 44.23 1wf7 s LEU 11 CO -0.03 0.10 -0.04 -0.69 0.23 0.00 0.00 176.35 175.92 1wf7 s VAL 12 N -1.70 2.43 -0.22 -1.59 1.01 -1.26 -1.12 120.40 117.95 1wf7 s VAL 12 Ca 0.27 -1.74 -0.32 0.00 0.00 0.00 0.00 61.98 60.19 1wf7 s VAL 12 Cb -0.09 -2.51 0.15 0.00 0.00 0.00 0.00 36.38 33.94 1wf7 s VAL 12 CO 0.18 -0.19 1.22 -0.83 0.00 0.00 0.00 175.10 175.48 1wf7 s GLY 13 N 1.14 -0.16 0.00 4.51 0.00 -0.77 -4.93 107.32 107.11 1wf7 s GLY 13 Ca -0.04 2.09 0.22 0.00 0.00 0.00 0.00 44.72 47.00 1wf7 s GLY 13 CO -0.05 0.81 1.73 -1.55 0.00 0.00 0.00 173.10 174.05 1wf7 n PRO 14 N 0.26 0.27 0.00 2.90 -0.04 -1.26 -3.84 135.00 133.29 1wf7 n PRO 14 Ca -0.02 0.08 0.00 0.00 -0.04 0.00 0.00 63.50 63.53 1wf7 n PRO 14 Cb 0.58 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.54 1wf7 n PRO 14 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1wf7 n ALA 15 N -1.32 0.00 -1.98 0.55 0.00 -1.26 -4.80 120.51 111.69 1wf7 n ALA 15 Ca 0.10 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.15 1wf7 n ALA 15 Cb 0.19 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.61 1wf7 n ALA 15 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1wf7 n PRO 16 N 0.00 2.31 0.22 0.00 -0.04 -1.26 -4.64 135.00 131.60 1wf7 n PRO 16 Ca 0.00 -2.62 0.09 0.00 -0.04 0.00 0.00 63.50 60.93 1wf7 n PRO 16 Cb 0.00 -3.41 0.50 0.00 -0.04 0.00 0.00 33.50 30.55 1wf7 n PRO 16 CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 1wf7 h TRP 17 N 7.99 0.00 0.00 0.54 4.06 -1.91 -3.47 115.95 123.16 1wf7 h TRP 17 Ca 0.40 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.35 1wf7 h TRP 17 Cb 0.81 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.97 1wf7 h TRP 17 CO 1.33 0.23 0.00 0.41 -3.56 0.00 0.00 178.44 176.86 1wf7 n GLY 18 N -0.07 1.99 3.23 1.49 0.00 -1.26 -1.47 105.19 109.09 1wf7 n GLY 18 Ca -0.01 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 1wf7 n GLY 18 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1wf7 s PHE 19 N -2.00 -0.04 0.33 1.61 -0.12 -1.26 0.13 117.98 116.63 1wf7 s PHE 19 Ca 0.00 -0.16 0.10 0.00 -0.05 0.00 0.00 56.93 56.82 1wf7 s PHE 19 Cb 0.00 0.05 -0.06 0.00 -0.63 0.00 0.00 43.02 42.38 1wf7 s PHE 19 CO 0.00 -0.50 -0.11 1.03 -0.05 0.00 0.00 175.22 175.59 1wf7 s ARG 20 N -2.78 1.80 0.11 1.99 1.81 -0.34 -4.96 118.95 116.58 1wf7 s ARG 20 Ca -0.03 -1.91 0.06 0.00 -1.72 0.00 0.00 55.73 52.13 1wf7 s ARG 20 Cb -0.00 -1.72 -0.04 0.00 -0.45 0.00 0.00 34.95 32.75 1wf7 s ARG 20 CO -0.05 0.17 -0.16 -0.51 -0.68 0.00 0.00 175.30 174.08 1wf7 s LEU 21 N -3.59 2.36 -0.07 2.53 1.43 -1.26 0.15 118.68 120.23 1wf7 s LEU 21 Ca 0.32 -0.74 -0.24 0.00 -1.03 0.00 0.00 54.13 52.43 1wf7 s LEU 21 Cb 0.01 -0.62 0.05 0.00 0.03 0.00 0.00 46.19 45.67 1wf7 s LEU 21 CO 0.16 -0.08 0.55 0.00 0.23 0.00 0.00 176.35 177.21 1wf7 s GLN 22 N -2.31 0.88 0.00 1.70 -2.07 -0.43 -4.49 119.66 112.94 1wf7 s GLN 22 Ca 0.06 0.21 0.00 0.00 -1.82 0.00 0.00 55.36 53.81 1wf7 s GLN 22 Cb -0.07 0.41 0.00 0.00 -1.09 0.00 0.00 33.01 32.26 1wf7 s GLN 22 CO 0.03 -0.25 0.00 0.41 -1.32 0.00 0.00 175.29 174.17 1wf7 n GLY 23 N 1.32 -1.27 0.00 2.60 0.00 -1.26 -1.49 105.19 105.09 1wf7 n GLY 23 Ca -0.19 -2.03 0.00 0.00 0.00 0.00 0.00 46.02 43.80 1wf7 n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wf7 n GLY 24 N 0.00 0.47 0.20 -0.02 0.00 0.45 -3.80 105.19 102.49 1wf7 n GLY 24 Ca 0.00 -2.29 -0.13 0.00 0.00 0.00 0.00 46.02 43.60 1wf7 n GLY 24 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1wf7 h LYS 25 N 8.89 -0.39 0.00 1.61 3.64 -1.66 0.96 116.57 129.62 1wf7 h LYS 25 Ca 0.00 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1wf7 h LYS 25 Cb 0.00 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 31.91 1wf7 h LYS 25 CO 0.00 -0.07 0.11 0.22 -2.27 0.00 0.00 179.45 177.44 1wf7 h ASP 26 N -0.76 0.00 0.24 4.20 3.58 -1.89 0.63 116.42 122.41 1wf7 h ASP 26 Ca -0.04 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.41 1wf7 h ASP 26 Cb 0.50 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.55 1wf7 h ASP 26 CO 0.07 0.00 -1.26 0.49 -2.88 0.00 0.00 179.24 175.65 1wf7 n PHE 27 N -2.82 0.16 -2.65 0.28 3.01 -0.93 -4.97 117.46 109.54 1wf7 n PHE 27 Ca -0.02 0.05 -0.09 0.00 1.01 0.00 0.00 57.45 58.39 1wf7 n PHE 27 Cb 0.16 -0.36 0.02 0.00 -0.01 0.00 0.00 39.48 39.29 1wf7 n PHE 27 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 1wf7 n ASN 28 N -1.95 -3.42 -3.65 4.37 5.15 0.22 -4.81 115.26 111.17 1wf7 n ASN 28 Ca 0.01 -0.14 -0.09 0.00 -0.60 0.00 0.00 54.58 53.76 1wf7 n ASN 28 Cb 0.45 -2.25 -0.02 0.00 -0.53 0.00 0.00 39.78 37.43 1wf7 n ASN 28 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1wf7 s MET 29 N -5.11 1.48 0.60 1.20 0.23 0.29 -4.95 119.30 113.04 1wf7 s MET 29 Ca 0.15 -0.71 -0.15 0.00 -1.03 0.00 0.00 55.69 53.95 1wf7 s MET 29 Cb -0.06 0.57 -0.03 0.00 -1.53 0.00 0.00 34.83 33.78 1wf7 s MET 29 CO 0.18 -0.67 1.05 -1.25 -2.03 0.00 0.00 175.02 172.30 1wf7 s PRO 30 N -3.76 3.32 -0.40 3.16 0.04 -1.26 0.17 135.00 136.28 1wf7 s PRO 30 Ca 0.07 1.13 -0.29 0.00 0.04 0.00 0.00 61.00 61.95 1wf7 s PRO 30 Cb -0.03 -2.04 0.01 0.00 0.04 0.00 0.00 34.50 32.48 1wf7 s PRO 30 CO -0.03 -0.80 1.39 -0.51 0.04 0.00 0.00 177.00 177.09 1wf7 s LEU 31 N -4.63 3.63 0.37 -3.56 1.43 -1.26 -3.69 118.68 110.98 1wf7 s LEU 31 Ca 0.62 0.87 0.08 0.00 -1.03 0.00 0.00 54.13 54.68 1wf7 s LEU 31 Cb -0.15 -3.54 -0.07 0.00 0.03 0.00 0.00 46.19 42.46 1wf7 s LEU 31 CO 0.39 -1.37 -0.02 0.42 0.23 0.00 0.00 176.35 176.00 1wf7 s THR 32 N 5.23 2.24 -0.58 5.49 -4.23 -0.55 -0.73 115.64 122.50 1wf7 s THR 32 Ca 0.60 -2.06 -0.28 0.00 -1.18 0.00 0.00 61.69 58.77 1wf7 s THR 32 Cb -0.14 -2.81 0.02 0.00 1.34 0.00 0.00 72.50 70.91 1wf7 s THR 32 CO 0.31 -0.12 1.31 -0.63 -0.54 0.00 0.00 174.62 174.94 1wf7 s ILE 33 N -2.62 3.88 0.10 2.99 -1.09 -1.01 -1.32 121.20 122.13 1wf7 s ILE 33 Ca 0.34 0.75 -0.29 0.00 -2.23 0.00 0.00 60.65 59.23 1wf7 s ILE 33 Cb 0.04 -4.61 -0.11 0.00 -1.58 0.00 0.00 42.46 36.21 1wf7 s ILE 33 CO 0.18 -1.31 1.47 -1.28 -1.23 0.00 0.00 174.94 172.77 1wf7 h SER 34 N 10.31 -1.48 -5.20 3.58 0.87 -0.52 -3.33 113.55 117.78 1wf7 h SER 34 Ca -0.26 0.18 -0.09 0.00 -1.23 0.00 0.00 61.79 60.38 1wf7 h SER 34 Cb 1.07 0.58 -0.05 0.00 -0.44 0.00 0.00 62.40 63.56 1wf7 h SER 34 CO 1.19 -0.41 0.05 -0.44 -0.53 0.00 0.00 176.83 176.69 1wf7 s SER 35 N -4.51 0.22 0.25 6.23 0.01 -1.25 -4.95 113.70 109.70 1wf7 s SER 35 Ca -0.13 -1.13 0.10 0.00 1.31 0.00 0.00 55.95 56.10 1wf7 s SER 35 Cb 0.06 0.73 -0.04 0.00 0.21 0.00 0.00 66.02 66.97 1wf7 s SER 35 CO 0.52 -1.42 -0.08 -0.76 0.41 0.00 0.00 173.24 171.91 1wf7 s LEU 36 N -3.09 2.98 -0.13 2.44 2.01 -1.26 -1.20 118.68 120.43 1wf7 s LEU 36 Ca 0.21 -0.72 -0.06 0.00 0.01 0.00 0.00 54.13 53.56 1wf7 s LEU 36 Cb -0.03 -1.54 -0.04 0.00 0.01 0.00 0.00 46.19 44.59 1wf7 s LEU 36 CO 0.13 0.04 0.10 -0.75 1.01 0.00 0.00 176.35 176.88 1wf7 s LYS 37 N -3.40 3.48 -0.36 1.70 2.20 0.34 -4.90 119.74 118.81 1wf7 s LYS 37 Ca 0.29 -0.22 -0.41 0.00 -0.36 0.00 0.00 55.97 55.27 1wf7 s LYS 37 Cb -0.07 -3.13 -0.16 0.00 -1.51 0.00 0.00 37.83 32.96 1wf7 s LYS 37 CO 0.17 0.66 1.83 -3.47 -0.36 0.00 0.00 175.35 174.18 1wf7 n ASP 38 N 2.35 1.96 -4.08 1.43 -0.08 -1.26 0.12 116.55 116.99 1wf7 n ASP 38 Ca -0.19 0.95 -0.28 0.00 -1.51 0.00 0.00 54.79 53.76 1wf7 n ASP 38 Cb 0.54 -1.08 -0.04 0.00 2.34 0.00 0.00 41.12 42.88 1wf7 n ASP 38 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1wf7 n GLY 39 N 4.90 -0.24 1.87 0.27 0.00 -1.26 -4.95 105.19 105.79 1wf7 n GLY 39 Ca 0.33 0.15 -0.13 0.00 0.00 0.00 0.00 46.02 46.37 1wf7 n GLY 39 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wf7 n GLY 40 N -2.01 -0.29 0.18 -0.02 0.00 0.12 -4.98 105.19 98.19 1wf7 n GLY 40 Ca -0.25 -1.84 -0.08 0.00 0.00 0.00 0.00 46.02 43.85 1wf7 n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wf7 h LYS 41 N 0.00 -0.34 -0.98 1.61 1.57 -1.53 -3.03 116.57 113.87 1wf7 h LYS 41 Ca -0.18 0.02 0.12 0.00 -1.87 0.00 0.00 60.65 58.74 1wf7 h LYS 41 Cb 0.58 0.08 -0.14 0.00 0.08 0.00 0.00 32.23 32.83 1wf7 h LYS 41 CO 0.16 -0.12 -0.46 0.00 -0.57 0.00 0.00 179.45 178.46 1wf7 n ALA 42 N -2.70 -0.34 -0.23 3.86 0.00 -1.24 0.13 120.51 119.99 1wf7 n ALA 42 Ca -0.06 0.91 0.02 0.00 0.00 0.00 0.00 53.44 54.32 1wf7 n ALA 42 Cb 0.19 -0.31 0.12 0.00 0.00 0.00 0.00 19.45 19.46 1wf7 n ALA 42 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1wf7 h SER 43 N 0.00 -0.37 0.33 0.00 4.64 -1.75 1.49 113.55 117.88 1wf7 h SER 43 Ca 0.26 0.18 -0.01 0.00 -0.47 0.00 0.00 61.79 61.76 1wf7 h SER 43 Cb 0.50 0.33 -0.00 0.00 -0.31 0.00 0.00 62.40 62.92 1wf7 h SER 43 CO -0.95 -0.16 -0.03 1.56 -0.87 0.00 0.00 176.83 176.39 1wf7 h GLN 44 N 0.09 0.00 -0.50 4.77 4.20 0.12 0.14 115.11 123.93 1wf7 h GLN 44 Ca 0.36 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.07 1wf7 h GLN 44 Cb 0.60 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.38 1wf7 h GLN 44 CO -0.62 0.03 0.00 0.00 -0.67 0.00 0.00 178.83 177.57 1wf7 n ALA 45 N -2.14 2.68 -3.29 3.87 0.00 0.50 -4.86 120.51 117.26 1wf7 n ALA 45 Ca -0.02 -0.67 -0.22 0.00 0.00 0.00 0.00 53.44 52.53 1wf7 n ALA 45 Cb 0.17 -1.00 0.06 0.00 0.00 0.00 0.00 19.45 18.67 1wf7 n ALA 45 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1wf7 n HIS 46 N 0.40 -2.38 -3.28 0.00 8.25 0.49 -4.95 115.22 113.75 1wf7 n HIS 46 Ca 0.11 0.76 -0.42 0.00 -0.26 0.00 0.00 57.72 57.92 1wf7 n HIS 46 Cb 0.41 -4.66 -0.08 0.00 1.12 0.00 0.00 29.99 26.78 1wf7 n HIS 46 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1wf7 s VAL 47 N -3.24 5.04 0.20 1.59 1.01 -0.77 -5.01 120.40 119.22 1wf7 s VAL 47 Ca 0.44 0.02 0.04 0.00 0.00 0.00 0.00 61.98 62.48 1wf7 s VAL 47 Cb -0.19 -3.99 -0.03 0.00 0.00 0.00 0.00 36.38 32.16 1wf7 s VAL 47 CO 0.54 -0.31 0.29 -0.13 0.00 0.00 0.00 175.10 175.49 1wf7 s ARG 48 N 2.29 3.32 0.20 2.72 0.52 -1.26 -4.32 118.95 122.42 1wf7 s ARG 48 Ca 0.16 -0.75 -0.31 0.00 -0.52 0.00 0.00 55.73 54.30 1wf7 s ARG 48 Cb -0.16 -2.85 -0.11 0.00 0.52 0.00 0.00 34.95 32.35 1wf7 s ARG 48 CO 0.14 0.46 1.58 0.42 0.02 0.00 0.00 175.30 177.92 1wf7 s ILE 49 N -1.90 2.44 0.00 1.52 1.01 -1.26 -2.36 121.20 120.65 1wf7 s ILE 49 Ca 0.34 0.33 0.00 0.00 0.00 0.00 0.00 60.65 61.32 1wf7 s ILE 49 Cb -0.10 -3.21 0.00 0.00 0.01 0.00 0.00 42.46 39.16 1wf7 s ILE 49 CO 0.28 0.03 0.00 0.61 0.00 0.00 0.00 174.94 175.86 1wf7 n GLY 50 N 3.36 1.81 3.68 6.18 0.00 -1.25 -4.98 105.19 113.99 1wf7 n GLY 50 Ca 0.12 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.66 1wf7 n GLY 50 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1wf7 n ASP 51 N 0.00 3.20 -4.73 1.61 9.92 -1.00 -4.65 116.55 120.90 1wf7 n ASP 51 Ca 0.00 1.02 -0.38 0.00 -0.53 0.00 0.00 54.79 54.90 1wf7 n ASP 51 Cb 0.00 -1.37 -0.06 0.00 -0.64 0.00 0.00 41.12 39.05 1wf7 n ASP 51 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1wf7 s VAL 52 N 2.92 5.19 -0.46 2.53 1.01 -1.26 -2.40 120.40 127.94 1wf7 s VAL 52 Ca 0.88 0.87 -0.27 0.00 0.00 0.00 0.00 61.98 63.46 1wf7 s VAL 52 Cb -0.72 -3.77 0.03 0.00 0.00 0.00 0.00 36.38 31.91 1wf7 s VAL 52 CO 0.48 0.36 1.03 -0.69 0.00 0.00 0.00 175.10 176.28 1wf7 s VAL 53 N 0.45 4.35 -0.06 2.92 1.01 0.09 -1.44 120.40 127.72 1wf7 s VAL 53 Ca 0.24 1.04 -0.25 0.00 0.00 0.00 0.00 61.98 63.01 1wf7 s VAL 53 Cb -0.15 -4.51 -0.25 0.00 0.00 0.00 0.00 36.38 31.48 1wf7 s VAL 53 CO 0.09 -0.89 0.98 -0.07 0.00 0.00 0.00 175.10 175.21 1wf7 h LEU 54 N 10.83 0.21 -8.26 3.92 3.38 -1.32 -3.43 115.31 120.64 1wf7 h LEU 54 Ca -0.23 -0.82 -0.15 0.00 0.09 0.00 0.00 57.88 56.77 1wf7 h LEU 54 Cb 1.07 -0.06 -0.14 0.00 0.09 0.00 0.00 40.66 41.62 1wf7 h LEU 54 CO 1.07 1.01 -0.50 -0.44 0.09 0.00 0.00 178.44 179.67 1wf7 s SER 55 N -6.35 0.19 -0.06 -0.43 0.01 -1.24 0.19 113.70 106.01 1wf7 s SER 55 Ca -0.16 -1.04 -0.03 0.00 1.31 0.00 0.00 55.95 56.03 1wf7 s SER 55 Cb 0.00 0.36 0.03 0.00 0.21 0.00 0.00 66.02 66.62 1wf7 s SER 55 CO 0.74 -0.80 0.12 -0.63 0.41 0.00 0.00 173.24 173.08 1wf7 s ILE 56 N -4.01 -0.04 -1.38 1.44 1.01 0.60 -1.31 121.20 117.51 1wf7 s ILE 56 Ca 0.20 0.16 0.00 0.00 0.00 0.00 0.00 60.65 61.01 1wf7 s ILE 56 Cb 0.06 -0.21 0.00 0.00 0.01 0.00 0.00 42.46 42.32 1wf7 s ILE 56 CO 0.01 0.07 0.00 -0.67 0.00 0.00 0.00 174.94 174.34 1wf7 n ASP 57 N 4.03 -4.50 0.00 3.58 2.03 0.51 0.17 116.55 122.38 1wf7 n ASP 57 Ca -0.25 0.18 0.00 0.00 0.52 0.00 0.00 54.79 55.24 1wf7 n ASP 57 Cb 0.53 -3.85 0.00 0.00 -0.72 0.00 0.00 41.12 37.07 1wf7 n ASP 57 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1wf7 n GLY 58 N -0.75 0.79 3.67 0.27 0.00 -1.25 -5.02 105.19 102.89 1wf7 n GLY 58 Ca -0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.47 1wf7 n GLY 58 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wf7 s ILE 59 N -2.95 5.31 0.05 -0.61 -1.09 0.46 -5.04 121.20 117.33 1wf7 s ILE 59 Ca 0.00 0.37 -0.31 0.00 -2.23 0.00 0.00 60.65 58.48 1wf7 s ILE 59 Cb 0.00 -3.58 -0.07 0.00 -1.58 0.00 0.00 42.46 37.23 1wf7 s ILE 59 CO 0.00 0.32 1.56 -0.55 -1.23 0.00 0.00 174.94 175.04 1wf7 s SER 60 N 1.00 6.69 -0.28 3.58 0.15 -1.26 0.22 113.70 123.80 1wf7 s SER 60 Ca 0.12 2.37 -0.02 0.00 0.70 0.00 0.00 55.95 59.11 1wf7 s SER 60 Cb -0.14 -2.56 0.07 0.00 -1.71 0.00 0.00 66.02 61.68 1wf7 s SER 60 CO 0.05 -0.82 2.49 0.00 1.20 0.00 0.00 173.24 176.16 1wf7 n ALA 61 N 5.42 5.61 -1.52 5.45 0.00 0.50 -4.44 120.51 131.53 1wf7 n ALA 61 Ca 0.15 -1.95 -0.34 0.00 0.00 0.00 0.00 53.44 51.30 1wf7 n ALA 61 Cb 0.41 -1.72 0.07 0.00 0.00 0.00 0.00 19.45 18.21 1wf7 n ALA 61 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1wf7 n GLN 62 N 0.95 2.85 0.00 0.00 6.02 -1.26 -4.42 117.38 121.52 1wf7 n GLN 62 Ca 0.35 -3.47 0.00 0.00 -0.01 0.00 0.00 57.00 53.87 1wf7 n GLN 62 Cb 0.61 -2.29 0.00 0.00 1.02 0.00 0.00 30.24 29.58 1wf7 n GLN 62 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1wf7 n GLY 63 N -0.84 0.00 3.01 1.08 0.00 -1.26 -5.17 105.19 102.01 1wf7 n GLY 63 Ca 0.59 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.43 1wf7 n GLY 63 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1wf7 s MET 64 N 0.00 0.65 0.69 1.61 -1.94 -1.26 -5.08 119.30 113.97 1wf7 s MET 64 Ca 0.00 -0.29 -0.06 0.00 -1.71 0.00 0.00 55.69 53.64 1wf7 s MET 64 Cb 0.00 -0.63 0.06 0.00 2.01 0.00 0.00 34.83 36.28 1wf7 s MET 64 CO 0.00 0.17 1.00 0.95 -0.01 0.00 0.00 175.02 177.13 1wf7 s THR 65 N -0.19 2.30 0.25 2.05 -4.23 -1.26 -3.83 115.64 110.74 1wf7 s THR 65 Ca 0.03 -0.31 -0.03 0.00 -1.18 0.00 0.00 61.69 60.19 1wf7 s THR 65 Cb -0.03 -2.99 0.24 0.00 1.34 0.00 0.00 72.50 71.06 1wf7 s THR 65 CO -0.00 0.00 1.70 -0.74 -0.54 0.00 0.00 174.62 175.03 1wf7 h HIS 66 N -0.55 0.39 0.06 3.99 2.76 -1.91 0.76 115.15 120.65 1wf7 h HIS 66 Ca -0.44 0.04 0.01 0.00 -2.20 0.00 0.00 60.37 57.78 1wf7 h HIS 66 Cb 1.31 -0.05 -0.01 0.00 1.55 0.00 0.00 27.41 30.20 1wf7 h HIS 66 CO 0.30 -0.05 -0.09 1.25 -1.30 0.00 0.00 177.93 178.04 1wf7 h LEU 67 N 0.33 -0.26 -0.12 0.26 7.12 -1.93 0.70 115.31 121.42 1wf7 h LEU 67 Ca 0.44 0.03 0.02 0.00 0.13 0.00 0.00 57.88 58.50 1wf7 h LEU 67 Cb 0.75 0.10 -0.04 0.00 -0.53 0.00 0.00 40.66 40.94 1wf7 h LEU 67 CO -0.49 -0.14 -0.29 -0.33 -0.13 0.00 0.00 178.44 177.06 1wf7 h GLU 68 N -0.19 -0.27 -0.56 1.25 5.08 -1.25 1.32 114.58 119.95 1wf7 h GLU 68 Ca 0.02 0.02 0.11 0.00 -1.00 0.00 0.00 59.36 58.51 1wf7 h GLU 68 Cb 0.20 0.06 -0.11 0.00 0.50 0.00 0.00 28.75 29.41 1wf7 h GLU 68 CO -0.05 -0.18 -0.14 0.00 -1.00 0.00 0.00 179.01 177.63 1wf7 h ALA 69 N -0.77 0.36 -0.65 3.43 0.00 -1.13 0.21 119.26 120.71 1wf7 h ALA 69 Ca 0.02 0.22 0.08 0.00 0.00 0.00 0.00 54.91 55.22 1wf7 h ALA 69 Cb 0.35 0.43 -0.06 0.00 0.00 0.00 0.00 17.79 18.51 1wf7 h ALA 69 CO -0.26 -0.44 0.32 1.96 0.00 0.00 0.00 179.25 180.84 1wf7 h GLN 70 N -0.01 0.57 -0.24 0.00 1.08 0.31 -0.34 115.11 116.48 1wf7 h GLN 70 Ca 0.27 -0.03 0.06 0.00 -1.45 0.00 0.00 58.65 57.49 1wf7 h GLN 70 Cb 0.41 -0.13 -0.06 0.00 -0.05 0.00 0.00 27.48 27.66 1wf7 h GLN 70 CO -0.58 0.37 -0.13 -0.91 -0.95 0.00 0.00 178.83 176.63 1wf7 h ASN 71 N 0.58 -0.44 0.48 1.46 2.35 0.48 0.74 115.58 121.23 1wf7 h ASN 71 Ca 0.31 0.10 -0.01 0.00 -0.55 0.00 0.00 56.30 56.15 1wf7 h ASN 71 Cb 0.28 0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.86 1wf7 h ASN 71 CO -0.23 -0.17 -0.45 0.11 -1.65 0.00 0.00 177.43 175.04 1wf7 h LYS 72 N -0.11 -0.90 -0.83 0.81 1.79 -0.24 0.51 116.57 117.60 1wf7 h LYS 72 Ca 0.13 0.06 0.17 0.00 -2.18 0.00 0.00 60.65 58.84 1wf7 h LYS 72 Cb 0.31 0.20 -0.11 0.00 -1.58 0.00 0.00 32.23 31.05 1wf7 h LYS 72 CO -0.31 -0.60 0.36 0.82 -1.08 0.00 0.00 179.45 178.64 1wf7 h ILE 73 N -0.93 0.59 0.00 1.86 2.04 -0.61 1.39 117.51 121.86 1wf7 h ILE 73 Ca -0.05 -0.16 -0.04 0.00 1.00 0.00 0.00 64.86 65.61 1wf7 h ILE 73 Cb 0.81 0.09 -0.01 0.00 -0.74 0.00 0.00 36.82 36.98 1wf7 h ILE 73 CO -0.04 0.08 -0.19 0.11 0.00 0.00 0.00 178.15 178.11 1wf7 h LYS 74 N 0.46 0.00 0.06 2.37 1.57 0.13 -2.01 116.57 119.15 1wf7 h LYS 74 Ca 0.48 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 59.01 1wf7 h LYS 74 Cb 0.80 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.12 1wf7 h LYS 74 CO -0.45 0.19 -1.09 0.00 -0.57 0.00 0.00 179.45 177.53 1wf7 h ALA 75 N 1.81 0.21 -2.07 3.86 0.00 0.67 -3.43 119.26 120.31 1wf7 h ALA 75 Ca -0.00 -0.77 -0.57 0.00 0.00 0.00 0.00 54.91 53.57 1wf7 h ALA 75 Cb 0.44 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1wf7 h ALA 75 CO 0.02 0.83 1.41 0.00 0.00 0.00 0.00 179.25 181.51 1wf7 s THR 77 N 7.24 3.26 0.00 0.00 -4.23 -1.26 -4.73 115.64 115.92 1wf7 s THR 77 Ca 0.96 -3.14 0.00 0.00 -1.18 0.00 0.00 61.69 58.33 1wf7 s THR 77 Cb -0.35 -3.17 0.00 0.00 1.34 0.00 0.00 72.50 70.33 1wf7 s THR 77 CO 0.36 -0.85 0.00 0.61 -0.54 0.00 0.00 174.62 174.20 1wf7 n GLY 78 N 3.30 2.79 3.22 3.99 0.00 -1.25 -5.09 105.19 112.16 1wf7 n GLY 78 Ca 0.07 -0.54 -0.13 0.00 0.00 0.00 0.00 46.02 45.42 1wf7 n GLY 78 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wf7 s SER 79 N 0.00 1.45 -0.20 1.61 1.04 -1.26 -1.84 113.70 114.50 1wf7 s SER 79 Ca 0.00 -1.04 0.02 0.00 0.48 0.00 0.00 55.95 55.40 1wf7 s SER 79 Cb 0.00 0.05 0.03 0.00 0.10 0.00 0.00 66.02 66.20 1wf7 s SER 79 CO 0.00 -0.43 -0.16 -0.22 0.98 0.00 0.00 173.24 173.41 1wf7 s LEU 80 N -3.13 2.48 -0.39 2.42 2.96 -0.27 -4.77 118.68 117.99 1wf7 s LEU 80 Ca 0.16 -0.87 -0.06 0.00 -0.22 0.00 0.00 54.13 53.14 1wf7 s LEU 80 Cb 0.04 -1.46 0.08 0.00 0.50 0.00 0.00 46.19 45.35 1wf7 s LEU 80 CO -0.01 -0.07 0.19 0.20 -1.32 0.00 0.00 176.35 175.35 1wf7 s ASN 81 N 1.26 5.41 0.02 3.68 0.01 -1.26 -1.69 114.94 122.37 1wf7 s ASN 81 Ca 0.01 -1.54 0.00 0.00 -0.71 0.00 0.00 52.86 50.62 1wf7 s ASN 81 Cb -0.15 -1.90 -0.02 0.00 0.41 0.00 0.00 41.25 39.59 1wf7 s ASN 81 CO -0.10 -0.47 -0.04 -0.04 -1.51 0.00 0.00 177.10 174.93 1wf7 s MET 82 N 1.33 0.36 -0.03 -0.60 -1.94 -1.15 0.19 119.30 117.47 1wf7 s MET 82 Ca 0.02 -0.63 -0.03 0.00 -1.71 0.00 0.00 55.69 53.34 1wf7 s MET 82 Cb -0.22 0.02 -0.04 0.00 2.01 0.00 0.00 34.83 36.60 1wf7 s MET 82 CO 0.00 -0.03 0.17 0.99 -0.01 0.00 0.00 175.02 176.15 1wf7 s THR 83 N -1.42 5.43 0.28 2.05 2.01 -0.43 -1.91 115.64 121.65 1wf7 s THR 83 Ca -0.14 -0.11 0.10 0.00 0.31 0.00 0.00 61.69 61.85 1wf7 s THR 83 Cb -0.10 -3.51 -0.05 0.00 0.01 0.00 0.00 72.50 68.86 1wf7 s THR 83 CO -0.01 0.37 -0.05 -0.76 -0.69 0.00 0.00 174.62 173.48 1wf7 s LEU 84 N -1.80 3.00 -0.23 4.42 1.43 0.11 -0.91 118.68 124.70 1wf7 s LEU 84 Ca 0.25 -0.80 -0.07 0.00 -1.03 0.00 0.00 54.13 52.48 1wf7 s LEU 84 Cb -0.13 -1.50 -0.03 0.00 0.03 0.00 0.00 46.19 44.56 1wf7 s LEU 84 CO 0.16 -0.02 0.07 -1.58 0.23 0.00 0.00 176.35 175.21 1wf7 s GLN 85 N -3.64 3.73 0.52 1.70 0.74 -0.52 -3.95 119.66 118.25 1wf7 s GLN 85 Ca 0.32 -0.45 -0.17 0.00 0.05 0.00 0.00 55.36 55.10 1wf7 s GLN 85 Cb -0.05 -3.30 -0.07 0.00 1.10 0.00 0.00 33.01 30.69 1wf7 s GLN 85 CO 0.19 -0.08 1.01 -0.98 -0.55 0.00 0.00 175.29 174.87 1wf7 s ARG 86 N 1.34 3.79 -0.32 1.67 3.03 -1.26 -4.47 118.95 122.73 1wf7 s ARG 86 Ca 0.05 1.10 0.05 0.00 2.03 0.00 0.00 55.73 58.96 1wf7 s ARG 86 Cb -0.15 -2.11 0.19 0.00 -1.03 0.00 0.00 34.95 31.86 1wf7 s ARG 86 CO 0.04 -0.41 0.63 0.00 -1.13 0.00 0.00 175.30 174.43 1wf7 s ALA 87 N -2.44 -2.54 0.46 7.88 0.00 -1.26 -5.12 121.76 118.75 1wf7 s ALA 87 Ca 0.62 0.91 0.05 0.00 0.00 0.00 0.00 51.96 53.54 1wf7 s ALA 87 Cb -0.12 -2.61 -0.03 0.00 0.00 0.00 0.00 23.12 20.36 1wf7 s ALA 87 CO 0.29 -1.94 0.14 -1.12 0.00 0.00 0.00 175.76 173.13 1wf7 s SER 88 N 2.62 4.27 0.00 0.00 0.01 -1.26 -5.15 113.70 114.20 1wf7 s SER 88 Ca 0.12 -1.33 0.00 0.00 1.31 0.00 0.00 55.95 56.06 1wf7 s SER 88 Cb -0.08 -0.02 0.00 0.00 0.21 0.00 0.00 66.02 66.13 1wf7 s SER 88 CO -0.22 -0.71 0.00 0.00 0.41 0.00 0.00 173.24 172.72 1wf7 n ALA 89 N -1.29 0.00 -2.72 1.44 0.00 -1.26 -5.10 120.51 111.58 1wf7 n ALA 89 Ca -0.07 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.37 1wf7 n ALA 89 Cb 0.66 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 20.10 1wf7 n ALA 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wf7 n ALA 90 N -0.01 -3.49 -2.95 0.00 0.00 -1.26 -4.86 120.51 107.94 1wf7 n ALA 90 Ca 0.00 0.58 -0.44 0.00 0.00 0.00 0.00 53.44 53.58 1wf7 n ALA 90 Cb 0.00 -1.17 -0.01 0.00 0.00 0.00 0.00 19.45 18.27 1wf7 n ALA 90 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wf7 s ALA 91 N -1.59 3.71 -0.40 0.00 0.00 -1.26 -4.55 121.76 117.67 1wf7 s ALA 91 Ca -0.01 -3.09 -0.12 0.00 0.00 0.00 0.00 51.96 48.74 1wf7 s ALA 91 Cb 0.00 -4.06 0.02 0.00 0.00 0.00 0.00 23.12 19.07 1wf7 s ALA 91 CO 0.78 -2.85 0.45 1.63 0.00 0.00 0.00 175.76 175.77 1wf7 n LYS 92 N 5.98 -2.66 -4.13 0.00 4.01 -1.26 -4.99 118.16 115.10 1wf7 n LYS 92 Ca 0.30 2.29 -0.34 0.00 -0.51 0.00 0.00 58.31 60.04 1wf7 n LYS 92 Cb 0.46 -5.58 -0.10 0.00 -0.51 0.00 0.00 35.03 29.29 1wf7 n LYS 92 CO 0.00 0.00 0.00 0.45 -1.11 0.00 0.00 177.40 176.74 1wf7 s SER 93 N -2.36 5.42 0.37 4.39 0.15 -1.26 -5.10 113.70 115.31 1wf7 s SER 93 Ca 0.19 0.05 -0.15 0.00 0.70 0.00 0.00 55.95 56.74 1wf7 s SER 93 Cb -0.05 -1.88 -0.08 0.00 -1.71 0.00 0.00 66.02 62.29 1wf7 s SER 93 CO 0.77 0.20 0.79 -1.61 1.20 0.00 0.00 173.24 174.60 1wf7 s GLU 94 N 0.20 3.97 -0.64 5.44 8.01 -1.26 -4.99 118.70 129.43 1wf7 s GLU 94 Ca 0.03 0.69 -0.27 0.00 0.01 0.00 0.00 54.97 55.43 1wf7 s GLU 94 Cb -0.13 -2.36 0.01 0.00 -4.31 0.00 0.00 34.13 27.33 1wf7 s GLU 94 CO 0.01 0.05 1.54 -1.25 0.01 0.00 0.00 175.26 175.62 1wf7 s PRO 95 N -3.33 3.00 0.10 0.39 0.04 -1.26 -4.97 135.00 128.97 1wf7 s PRO 95 Ca 0.55 0.28 -0.31 0.00 0.04 0.00 0.00 61.00 61.56 1wf7 s PRO 95 Cb -0.10 -4.25 -0.07 0.00 0.04 0.00 0.00 34.50 30.13 1wf7 s PRO 95 CO 0.22 -2.32 1.24 0.08 0.04 0.00 0.00 177.00 176.26 1wf7 s VAL 96 N 7.11 3.79 -0.55 -0.36 1.01 -1.26 -4.93 120.40 125.21 1wf7 s VAL 96 Ca 0.52 1.32 -0.27 0.00 0.00 0.00 0.00 61.98 63.55 1wf7 s VAL 96 Cb -0.11 -3.84 -0.02 0.00 0.00 0.00 0.00 36.38 32.41 1wf7 s VAL 96 CO 0.20 0.12 1.81 -0.44 0.00 0.00 0.00 175.10 176.79 1wf7 s SER 97 N 0.90 5.47 -0.34 3.32 0.01 -1.26 -4.77 113.70 117.02 1wf7 s SER 97 Ca 0.59 0.54 -0.07 0.00 1.31 0.00 0.00 55.95 58.32 1wf7 s SER 97 Cb -0.32 -2.53 0.20 0.00 0.21 0.00 0.00 66.02 63.59 1wf7 s SER 97 CO 0.31 -2.18 1.06 -0.44 0.41 0.00 0.00 173.24 172.40 1wf7 s SER 98 N 7.39 -0.34 0.07 2.44 0.01 -1.26 -5.06 113.70 116.94 1wf7 s SER 98 Ca 0.69 -0.30 0.00 0.00 1.31 0.00 0.00 55.95 57.64 1wf7 s SER 98 Cb -0.14 0.44 0.00 0.00 0.21 0.00 0.00 66.02 66.53 1wf7 s SER 98 CO 0.24 -0.02 0.00 0.61 0.41 0.00 0.00 173.24 174.47 1wf7 n GLY 99 N 3.08 -1.83 3.72 3.44 0.00 -1.26 -5.12 105.19 107.23 1wf7 n GLY 99 Ca 0.09 0.44 -0.42 0.00 0.00 0.00 0.00 46.02 46.14 1wf7 n GLY 99 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wf7 s PRO 100 N -1.14 4.50 0.18 1.61 0.04 -1.26 -5.04 135.00 133.90 1wf7 s PRO 100 Ca 0.00 1.73 0.04 0.00 0.04 0.00 0.00 61.00 62.81 1wf7 s PRO 100 Cb 0.00 -3.32 -0.03 0.00 0.04 0.00 0.00 34.50 31.18 1wf7 s PRO 100 CO 0.00 -0.11 0.28 -1.12 0.04 0.00 0.00 177.00 176.09 1wf7 s SER 101 N 0.56 6.16 0.23 6.66 0.01 -1.26 -5.08 113.70 120.99 1wf7 s SER 101 Ca 0.54 0.07 -0.30 0.00 1.31 0.00 0.00 55.95 57.58 1wf7 s SER 101 Cb -0.29 -1.79 -0.09 0.00 0.21 0.00 0.00 66.02 64.06 1wf7 s SER 101 CO 0.32 0.01 1.06 -0.44 0.41 0.00 0.00 173.24 174.60 1wf7 s SER 102 N -3.46 7.35 0.00 2.44 0.01 -1.26 -5.29 113.70 113.49 1wf7 s SER 102 Ca 0.34 2.13 0.06 0.00 1.31 0.00 0.00 55.95 59.79 1wf7 s SER 102 Cb -0.10 -2.62 0.05 0.00 0.21 0.00 0.00 66.02 63.56 1wf7 s SER 102 CO 0.28 -0.10 0.69 0.61 0.41 0.00 0.00 173.24 175.13