#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 6.39 0.09 1.61 0.01 -1.26 -4.94 113.70 115.60 1wf7 s SER 2 Ca 0.00 0.45 0.00 0.00 1.31 0.00 0.00 55.95 57.71 1wf7 s SER 2 Cb 0.00 -2.19 0.00 0.00 0.21 0.00 0.00 66.02 64.04 1wf7 s SER 2 CO 0.00 0.03 0.00 -0.24 0.41 0.00 0.00 173.24 173.44 1wf7 n SER 3 N 4.03 0.82 0.00 2.44 2.88 -1.26 -5.15 113.62 117.38 1wf7 n SER 3 Ca -0.11 0.13 0.00 0.00 -1.33 0.00 0.00 58.87 57.56 1wf7 n SER 3 Cb 0.52 -0.23 0.00 0.00 -0.75 0.00 0.00 64.21 63.74 1wf7 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wf7 n GLY 4 N 3.38 0.07 3.79 0.46 0.00 -1.26 -5.05 105.19 106.58 1wf7 n GLY 4 Ca 0.00 -1.66 -0.23 0.00 0.00 0.00 0.00 46.02 44.14 1wf7 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wf7 s SER 5 N -4.00 4.78 0.21 1.61 1.04 -1.26 -4.95 113.70 111.13 1wf7 s SER 5 Ca 0.00 -0.82 0.00 0.00 0.48 0.00 0.00 55.95 55.61 1wf7 s SER 5 Cb 0.00 -0.65 0.00 0.00 0.10 0.00 0.00 66.02 65.47 1wf7 s SER 5 CO 0.00 -0.46 0.00 -1.54 0.98 0.00 0.00 173.24 172.22 1wf7 n SER 6 N -1.30 -4.31 0.00 7.02 3.41 -1.26 -5.00 113.62 112.17 1wf7 n SER 6 Ca -0.01 0.72 0.00 0.00 -0.26 0.00 0.00 58.87 59.32 1wf7 n SER 6 Cb 0.62 -2.23 0.00 0.00 -0.26 0.00 0.00 64.21 62.34 1wf7 n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wf7 n GLY 7 N -2.16 3.97 3.76 5.00 0.00 -1.26 -4.93 105.19 109.57 1wf7 n GLY 7 Ca 0.00 -1.50 -0.29 0.00 0.00 0.00 0.00 46.02 44.24 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 5.39 0.24 1.61 1.04 -1.26 -2.21 113.70 118.52 1wf7 s SER 8 Ca 0.00 -0.11 0.11 0.00 0.48 0.00 0.00 55.95 56.44 1wf7 s SER 8 Cb 0.00 -1.39 -0.05 0.00 0.10 0.00 0.00 66.02 64.68 1wf7 s SER 8 CO 0.00 0.13 -0.21 0.54 0.98 0.00 0.00 173.24 174.68 1wf7 s VAL 9 N -1.53 2.35 -0.11 5.02 0.11 -0.57 -4.99 120.40 120.69 1wf7 s VAL 9 Ca 0.29 -2.27 0.01 0.00 -2.93 0.00 0.00 61.98 57.09 1wf7 s VAL 9 Cb -0.11 -2.21 0.02 0.00 -1.53 0.00 0.00 36.38 32.55 1wf7 s VAL 9 CO 0.22 -0.33 -0.12 -0.55 -3.33 0.00 0.00 175.10 170.98 1wf7 s SER 10 N -3.22 2.28 0.10 3.54 0.15 -1.25 -3.10 113.70 112.20 1wf7 s SER 10 Ca 0.26 -0.38 0.08 0.00 0.70 0.00 0.00 55.95 56.61 1wf7 s SER 10 Cb -0.05 -0.99 -0.04 0.00 -1.71 0.00 0.00 66.02 63.23 1wf7 s SER 10 CO 0.12 -0.03 -0.16 -0.76 1.20 0.00 0.00 173.24 173.61 1wf7 s LEU 11 N 1.19 2.76 -0.31 3.45 1.43 -0.55 -4.92 118.68 121.73 1wf7 s LEU 11 Ca -0.03 -0.50 0.01 0.00 -1.03 0.00 0.00 54.13 52.58 1wf7 s LEU 11 Cb -0.14 -1.60 0.07 0.00 0.03 0.00 0.00 46.19 44.55 1wf7 s LEU 11 CO -0.04 0.19 -0.00 -0.69 0.23 0.00 0.00 176.35 176.04 1wf7 s VAL 12 N -1.12 2.58 -0.19 -1.59 1.01 -1.26 -0.69 120.40 119.13 1wf7 s VAL 12 Ca 0.18 -1.77 -0.32 0.00 0.00 0.00 0.00 61.98 60.07 1wf7 s VAL 12 Cb -0.11 -2.62 0.15 0.00 0.00 0.00 0.00 36.38 33.80 1wf7 s VAL 12 CO 0.10 -0.26 1.17 -0.83 0.00 0.00 0.00 175.10 175.28 1wf7 s GLY 13 N 1.19 -0.20 0.00 4.51 0.00 -0.89 -4.93 107.32 107.00 1wf7 s GLY 13 Ca -0.01 2.00 0.23 0.00 0.00 0.00 0.00 44.72 46.93 1wf7 s GLY 13 CO -0.04 0.80 1.74 -1.55 0.00 0.00 0.00 173.10 174.05 1wf7 n PRO 14 N 0.28 0.33 0.00 2.90 -0.04 -1.26 -3.67 135.00 133.53 1wf7 n PRO 14 Ca -0.03 0.07 0.00 0.00 -0.04 0.00 0.00 63.50 63.50 1wf7 n PRO 14 Cb 0.59 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.55 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 -1.28 0.00 -2.17 0.55 0.00 -1.26 -4.77 120.51 111.57 1wf7 n ALA 15 Ca 0.11 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.18 1wf7 n ALA 15 Cb 0.18 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.60 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 2.38 0.22 0.00 -0.04 -1.26 -4.64 135.00 131.65 1wf7 n PRO 16 Ca 0.00 -2.77 0.10 0.00 -0.04 0.00 0.00 63.50 60.79 1wf7 n PRO 16 Cb 0.00 -3.52 0.40 0.00 -0.04 0.00 0.00 33.50 30.34 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 8.31 0.00 0.00 0.54 4.06 -1.91 -3.47 115.95 123.47 1wf7 h TRP 17 Ca 0.37 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.32 1wf7 h TRP 17 Cb 0.86 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.02 1wf7 h TRP 17 CO 1.33 0.23 0.00 0.41 -3.56 0.00 0.00 178.44 176.85 1wf7 n GLY 18 N 0.33 1.87 3.26 1.49 0.00 -1.26 -1.85 105.19 109.02 1wf7 n GLY 18 Ca 0.01 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.17 0.32 1.61 -0.12 -1.26 0.20 117.98 116.56 1wf7 s PHE 19 Ca 0.00 0.17 0.09 0.00 -0.05 0.00 0.00 56.93 57.15 1wf7 s PHE 19 Cb 0.00 0.11 -0.05 0.00 -0.63 0.00 0.00 43.02 42.45 1wf7 s PHE 19 CO 0.00 -0.45 -0.03 1.03 -0.05 0.00 0.00 175.22 175.72 1wf7 s ARG 20 N -1.84 2.03 0.11 1.99 0.52 -0.47 -4.97 118.95 116.32 1wf7 s ARG 20 Ca -0.10 -1.73 0.09 0.00 -0.52 0.00 0.00 55.73 53.47 1wf7 s ARG 20 Cb -0.03 -1.92 -0.04 0.00 0.52 0.00 0.00 34.95 33.49 1wf7 s ARG 20 CO 0.01 0.19 -0.23 -0.51 0.02 0.00 0.00 175.30 174.78 1wf7 s LEU 21 N -3.67 2.30 0.01 2.53 1.43 -1.26 -0.56 118.68 119.45 1wf7 s LEU 21 Ca 0.34 -0.70 -0.15 0.00 -1.03 0.00 0.00 54.13 52.58 1wf7 s LEU 21 Cb -0.01 -1.02 0.03 0.00 0.03 0.00 0.00 46.19 45.22 1wf7 s LEU 21 CO 0.19 0.11 0.34 0.00 0.23 0.00 0.00 176.35 177.21 1wf7 s GLN 22 N -1.90 0.77 0.32 1.70 -2.07 -0.54 -4.54 119.66 113.40 1wf7 s GLN 22 Ca 0.09 -0.32 0.00 0.00 -1.82 0.00 0.00 55.36 53.31 1wf7 s GLN 22 Cb -0.10 0.34 0.00 0.00 -1.09 0.00 0.00 33.01 32.16 1wf7 s GLN 22 CO 0.05 -0.24 0.00 0.41 -1.32 0.00 0.00 175.29 174.19 1wf7 n GLY 23 N 0.88 -1.81 0.00 2.60 0.00 -1.26 -1.47 105.19 104.13 1wf7 n GLY 23 Ca -0.20 -1.90 0.00 0.00 0.00 0.00 0.00 46.02 43.92 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 1.98 0.25 -0.02 0.00 0.33 -3.88 105.19 103.85 1wf7 n GLY 24 Ca 0.00 -2.06 0.08 0.00 0.00 0.00 0.00 46.02 44.04 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 0.00 0.00 0.00 1.61 3.64 -1.73 0.30 116.57 120.39 1wf7 h LYS 25 Ca 0.00 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1wf7 h LYS 25 Cb 0.00 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1wf7 h LYS 25 CO 0.00 0.09 -0.02 0.22 -2.27 0.00 0.00 179.45 177.47 1wf7 h ASP 26 N 0.00 0.00 -0.06 4.20 3.58 -1.88 -3.05 116.42 119.21 1wf7 h ASP 26 Ca -0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1wf7 h ASP 26 Cb 0.16 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.21 1wf7 h ASP 26 CO 0.01 0.02 0.00 0.49 -2.88 0.00 0.00 179.24 176.88 1wf7 n PHE 27 N -3.10 0.04 -3.44 0.28 3.01 0.52 -4.95 117.46 109.81 1wf7 n PHE 27 Ca 0.04 -0.02 -0.22 0.00 1.01 0.00 0.00 57.45 58.26 1wf7 n PHE 27 Cb 0.54 0.00 0.07 0.00 -0.01 0.00 0.00 39.48 40.08 1wf7 n PHE 27 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 1wf7 n ASN 28 N 1.36 -6.08 -3.58 4.37 4.13 0.75 -4.74 115.26 111.47 1wf7 n ASN 28 Ca 0.14 -0.47 -0.09 0.00 1.68 0.00 0.00 54.58 55.85 1wf7 n ASN 28 Cb 0.60 -4.73 -0.02 0.00 -1.54 0.00 0.00 39.78 34.09 1wf7 n ASN 28 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1wf7 s MET 29 N -6.14 1.25 0.66 3.52 0.23 0.13 -4.95 119.30 114.00 1wf7 s MET 29 Ca 0.51 -0.56 -0.12 0.00 -1.03 0.00 0.00 55.69 54.49 1wf7 s MET 29 Cb -0.23 0.51 -0.01 0.00 -1.53 0.00 0.00 34.83 33.58 1wf7 s MET 29 CO 0.63 -0.56 1.06 -1.25 -2.03 0.00 0.00 175.02 172.87 1wf7 s PRO 30 N -3.56 3.06 -0.34 3.16 0.04 -1.26 0.12 135.00 136.23 1wf7 s PRO 30 Ca 0.06 1.02 -0.29 0.00 0.04 0.00 0.00 61.00 61.83 1wf7 s PRO 30 Cb -0.02 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 32.52 1wf7 s PRO 30 CO -0.06 -1.00 1.33 -0.51 0.04 0.00 0.00 177.00 176.80 1wf7 s LEU 31 N -5.23 3.79 0.36 -3.56 1.43 -1.26 -3.78 118.68 110.42 1wf7 s LEU 31 Ca 0.59 1.07 0.06 0.00 -1.03 0.00 0.00 54.13 54.83 1wf7 s LEU 31 Cb -0.14 -3.54 -0.07 0.00 0.03 0.00 0.00 46.19 42.47 1wf7 s LEU 31 CO 0.50 -1.19 0.00 0.42 0.23 0.00 0.00 176.35 176.31 1wf7 s THR 32 N 4.68 1.74 -0.67 5.49 -4.23 -0.54 -1.68 115.64 120.43 1wf7 s THR 32 Ca 0.57 -2.04 -0.27 0.00 -1.18 0.00 0.00 61.69 58.77 1wf7 s THR 32 Cb -0.15 -2.82 0.02 0.00 1.34 0.00 0.00 72.50 70.89 1wf7 s THR 32 CO 0.26 -0.07 1.34 -0.63 -0.54 0.00 0.00 174.62 174.98 1wf7 s ILE 33 N -2.92 3.76 0.06 2.99 -1.09 -0.96 -1.46 121.20 121.58 1wf7 s ILE 33 Ca 0.34 0.54 -0.19 0.00 -2.23 0.00 0.00 60.65 59.11 1wf7 s ILE 33 Cb 0.08 -4.72 -0.08 0.00 -1.58 0.00 0.00 42.46 36.17 1wf7 s ILE 33 CO 0.16 -1.56 1.31 -1.28 -1.23 0.00 0.00 174.94 172.34 1wf7 h SER 34 N 10.53 -0.94 -5.53 3.58 0.87 -1.07 -3.31 113.55 117.67 1wf7 h SER 34 Ca -0.27 0.11 -0.24 0.00 -1.23 0.00 0.00 61.79 60.16 1wf7 h SER 34 Cb 1.07 0.36 -0.11 0.00 -0.44 0.00 0.00 62.40 63.28 1wf7 h SER 34 CO 1.24 -0.29 -0.35 -0.44 -0.53 0.00 0.00 176.83 176.46 1wf7 s SER 35 N -3.79 0.55 0.15 6.23 0.01 -1.25 -4.93 113.70 110.67 1wf7 s SER 35 Ca -0.09 -1.36 0.09 0.00 1.31 0.00 0.00 55.95 55.90 1wf7 s SER 35 Cb 0.04 0.54 -0.04 0.00 0.21 0.00 0.00 66.02 66.77 1wf7 s SER 35 CO 0.34 -1.08 -0.22 -0.76 0.41 0.00 0.00 173.24 171.94 1wf7 s LEU 36 N -3.18 2.38 -0.11 2.44 2.01 -1.26 -1.36 118.68 119.60 1wf7 s LEU 36 Ca 0.33 -0.80 -0.13 0.00 0.01 0.00 0.00 54.13 53.54 1wf7 s LEU 36 Cb 0.02 -0.98 -0.05 0.00 0.01 0.00 0.00 46.19 45.20 1wf7 s LEU 36 CO 0.16 0.06 0.31 -0.75 1.01 0.00 0.00 176.35 177.13 1wf7 s LYS 37 N -2.43 4.02 -0.01 1.70 2.20 0.53 -4.92 119.74 120.84 1wf7 s LYS 37 Ca 0.14 0.16 -0.36 0.00 -0.36 0.00 0.00 55.97 55.55 1wf7 s LYS 37 Cb -0.08 -3.33 -0.15 0.00 -1.51 0.00 0.00 37.83 32.76 1wf7 s LYS 37 CO 0.07 0.45 1.57 -3.47 -0.36 0.00 0.00 175.35 173.61 1wf7 n ASP 38 N 2.81 2.41 -4.17 1.43 2.03 -1.26 -1.27 116.55 118.53 1wf7 n ASP 38 Ca -0.14 1.08 -0.35 0.00 0.52 0.00 0.00 54.79 55.90 1wf7 n ASP 38 Cb 0.52 -1.26 -0.05 0.00 -0.72 0.00 0.00 41.12 39.62 1wf7 n ASP 38 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1wf7 n GLY 39 N 3.38 -0.40 1.49 0.27 0.00 -1.26 -4.94 105.19 103.73 1wf7 n GLY 39 Ca 0.21 0.24 -0.08 0.00 0.00 0.00 0.00 46.02 46.39 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 -2.32 2.00 0.20 -0.02 0.00 -0.39 -4.99 105.19 99.66 1wf7 n GLY 40 Ca -0.25 -2.17 -0.10 0.00 0.00 0.00 0.00 46.02 43.50 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 -0.41 -0.54 1.61 1.57 -1.67 -2.50 116.57 114.64 1wf7 h LYS 41 Ca -0.10 0.03 0.05 0.00 -1.87 0.00 0.00 60.65 58.75 1wf7 h LYS 41 Cb 0.48 0.09 -0.06 0.00 0.08 0.00 0.00 32.23 32.81 1wf7 h LYS 41 CO 0.15 -0.12 -0.32 0.00 -0.57 0.00 0.00 179.45 178.59 1wf7 n ALA 42 N -2.65 -0.34 -0.25 3.86 0.00 -1.20 0.70 120.51 120.62 1wf7 n ALA 42 Ca -0.07 0.46 0.06 0.00 0.00 0.00 0.00 53.44 53.88 1wf7 n ALA 42 Cb 0.24 0.15 0.18 0.00 0.00 0.00 0.00 19.45 20.02 1wf7 n ALA 42 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1wf7 h SER 43 N 0.00 -0.18 -0.01 0.00 0.87 -1.74 1.46 113.55 113.95 1wf7 h SER 43 Ca 0.09 0.18 0.00 0.00 -1.23 0.00 0.00 61.79 60.82 1wf7 h SER 43 Cb 0.22 0.28 -0.00 0.00 -0.44 0.00 0.00 62.40 62.46 1wf7 h SER 43 CO -0.50 -0.12 0.01 1.56 -0.53 0.00 0.00 176.83 177.24 1wf7 h GLN 44 N 0.17 0.00 -0.22 2.24 4.20 0.75 0.53 115.11 122.79 1wf7 h GLN 44 Ca 0.42 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.13 1wf7 h GLN 44 Cb 0.75 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.53 1wf7 h GLN 44 CO -0.60 0.00 0.00 0.00 -0.67 0.00 0.00 178.83 177.56 1wf7 n ALA 45 N -2.31 2.48 -3.16 3.87 0.00 0.50 -4.87 120.51 117.01 1wf7 n ALA 45 Ca -0.03 -0.42 -0.15 0.00 0.00 0.00 0.00 53.44 52.84 1wf7 n ALA 45 Cb 0.09 -1.02 0.06 0.00 0.00 0.00 0.00 19.45 18.58 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 0.16 -1.84 -3.61 0.00 8.25 0.19 -4.98 115.22 113.39 1wf7 n HIS 46 Ca 0.10 0.71 -0.40 0.00 -0.26 0.00 0.00 57.72 57.86 1wf7 n HIS 46 Cb 0.21 -4.09 -0.11 0.00 1.12 0.00 0.00 29.99 27.12 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 -3.25 4.39 0.29 1.59 1.01 -1.03 -5.01 120.40 118.39 1wf7 s VAL 47 Ca 0.21 -1.08 -0.00 0.00 0.00 0.00 0.00 61.98 61.11 1wf7 s VAL 47 Cb -0.09 -3.54 -0.04 0.00 0.00 0.00 0.00 36.38 32.71 1wf7 s VAL 47 CO 0.53 -0.33 0.49 -0.13 0.00 0.00 0.00 175.10 175.66 1wf7 s ARG 48 N 1.50 3.52 0.28 2.72 3.00 -1.26 -4.28 118.95 124.42 1wf7 s ARG 48 Ca 0.02 -0.31 -0.30 0.00 0.00 0.00 0.00 55.73 55.13 1wf7 s ARG 48 Cb -0.21 -2.73 -0.11 0.00 0.00 0.00 0.00 34.95 31.91 1wf7 s ARG 48 CO 0.05 0.26 1.53 0.42 0.00 0.00 0.00 175.30 177.56 1wf7 s ILE 49 N -2.12 2.30 0.00 1.52 1.01 -1.26 -2.33 121.20 120.32 1wf7 s ILE 49 Ca 0.40 0.25 0.00 0.00 0.00 0.00 0.00 60.65 61.30 1wf7 s ILE 49 Cb -0.10 -3.16 0.00 0.00 0.01 0.00 0.00 42.46 39.21 1wf7 s ILE 49 CO 0.32 0.04 0.00 0.61 0.00 0.00 0.00 174.94 175.91 1wf7 n GLY 50 N 2.18 0.91 3.70 6.18 0.00 -1.25 -4.97 105.19 111.94 1wf7 n GLY 50 Ca 0.08 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.67 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 3.86 -4.82 1.61 9.92 -0.98 -4.67 116.55 121.46 1wf7 n ASP 51 Ca 0.00 1.05 -0.38 0.00 -0.53 0.00 0.00 54.79 54.93 1wf7 n ASP 51 Cb 0.00 -1.54 -0.06 0.00 -0.64 0.00 0.00 41.12 38.88 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 1.48 5.14 -0.58 2.53 1.01 -1.26 -2.27 120.40 126.45 1wf7 s VAL 52 Ca 0.77 0.72 -0.21 0.00 0.00 0.00 0.00 61.98 63.27 1wf7 s VAL 52 Cb -0.53 -3.66 0.07 0.00 0.00 0.00 0.00 36.38 32.26 1wf7 s VAL 52 CO 0.34 0.55 0.79 -0.69 0.00 0.00 0.00 175.10 176.10 1wf7 s VAL 53 N -0.80 4.62 0.13 2.92 1.01 -0.67 -1.72 120.40 125.89 1wf7 s VAL 53 Ca 0.22 -0.46 -0.13 0.00 0.00 0.00 0.00 61.98 61.60 1wf7 s VAL 53 Cb -0.15 -4.50 -0.03 0.00 0.00 0.00 0.00 36.38 31.69 1wf7 s VAL 53 CO 0.11 -1.13 1.50 -0.07 0.00 0.00 0.00 175.10 175.52 1wf7 h LEU 54 N 10.45 0.85 -8.52 3.92 3.38 -1.39 -3.43 115.31 120.58 1wf7 h LEU 54 Ca -0.28 -0.41 -0.21 0.00 0.09 0.00 0.00 57.88 57.07 1wf7 h LEU 54 Cb 1.08 -0.24 -0.15 0.00 0.09 0.00 0.00 40.66 41.45 1wf7 h LEU 54 CO 1.08 1.07 -0.60 -0.94 0.09 0.00 0.00 178.44 179.14 1wf7 s SER 55 N -6.55 0.19 -0.05 -0.43 1.04 -1.23 -2.23 113.70 104.44 1wf7 s SER 55 Ca -0.12 -1.31 -0.02 0.00 0.48 0.00 0.00 55.95 54.98 1wf7 s SER 55 Cb 0.10 0.36 0.04 0.00 0.10 0.00 0.00 66.02 66.62 1wf7 s SER 55 CO 0.84 -0.82 0.10 -0.63 0.98 0.00 0.00 173.24 173.71 1wf7 s ILE 56 N -4.12 -0.07 -1.50 -1.02 1.01 0.43 -2.68 121.20 113.25 1wf7 s ILE 56 Ca 0.34 0.22 0.00 0.00 0.00 0.00 0.00 60.65 61.20 1wf7 s ILE 56 Cb 0.07 -0.18 0.00 0.00 0.01 0.00 0.00 42.46 42.36 1wf7 s ILE 56 CO 0.09 0.09 0.00 -0.67 0.00 0.00 0.00 174.94 174.44 1wf7 n ASP 57 N 4.31 -3.97 0.00 3.58 -0.08 0.49 0.18 116.55 121.06 1wf7 n ASP 57 Ca -0.25 0.32 0.00 0.00 -1.51 0.00 0.00 54.79 53.35 1wf7 n ASP 57 Cb 0.51 -3.59 0.00 0.00 2.34 0.00 0.00 41.12 40.37 1wf7 n ASP 57 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1wf7 n GLY 58 N -0.38 0.62 3.55 0.27 0.00 -1.07 -4.95 105.19 103.23 1wf7 n GLY 58 Ca -0.15 -0.47 -0.28 0.00 0.00 0.00 0.00 46.02 45.12 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 -2.00 3.11 -0.03 -0.61 1.01 0.48 -5.08 121.20 118.07 1wf7 s ILE 59 Ca 0.00 -1.59 -0.30 0.00 0.00 0.00 0.00 60.65 58.76 1wf7 s ILE 59 Cb 0.00 -2.51 -0.05 0.00 0.01 0.00 0.00 42.46 39.91 1wf7 s ILE 59 CO 0.00 -0.04 1.43 -0.44 0.00 0.00 0.00 174.94 175.89 1wf7 s SER 60 N -2.60 6.83 -0.20 3.58 0.01 -1.26 0.16 113.70 120.22 1wf7 s SER 60 Ca 0.23 2.08 0.08 0.00 1.31 0.00 0.00 55.95 59.65 1wf7 s SER 60 Cb -0.09 -2.55 0.55 0.00 0.21 0.00 0.00 66.02 64.13 1wf7 s SER 60 CO 0.14 -0.76 1.43 0.00 0.41 0.00 0.00 173.24 174.46 1wf7 n ALA 61 N 5.87 3.75 -2.89 1.44 0.00 -0.95 -4.73 120.51 123.00 1wf7 n ALA 61 Ca 0.14 -1.49 -0.43 0.00 0.00 0.00 0.00 53.44 51.66 1wf7 n ALA 61 Cb 0.44 -1.14 -0.03 0.00 0.00 0.00 0.00 19.45 18.71 1wf7 n ALA 61 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1wf7 s GLN 62 N -2.24 3.37 0.00 0.00 -0.21 -1.26 -4.08 119.66 115.24 1wf7 s GLN 62 Ca 0.38 -1.33 0.00 0.00 0.02 0.00 0.00 55.36 54.43 1wf7 s GLN 62 Cb 0.30 -4.62 0.00 0.00 1.00 0.00 0.00 33.01 29.69 1wf7 s GLN 62 CO 0.10 -1.80 0.00 0.41 -2.12 0.00 0.00 175.29 171.88 1wf7 n GLY 63 N 5.48 3.45 3.49 3.09 0.00 -1.26 -5.08 105.19 114.36 1wf7 n GLY 63 Ca 0.11 -0.93 -0.54 0.00 0.00 0.00 0.00 46.02 44.66 1wf7 n GLY 63 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1wf7 n MET 64 N 0.00 0.25 -1.91 1.61 2.81 -1.26 -4.36 117.12 114.27 1wf7 n MET 64 Ca 0.00 0.09 -0.29 0.00 -1.81 0.00 0.00 57.70 55.69 1wf7 n MET 64 Cb 0.00 -1.46 0.09 0.00 -0.71 0.00 0.00 33.22 31.14 1wf7 n MET 64 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 1wf7 s THR 65 N -0.28 2.09 0.14 2.03 -4.23 -1.26 -4.21 115.64 109.92 1wf7 s THR 65 Ca 0.80 0.02 -0.31 0.00 -1.18 0.00 0.00 61.69 61.02 1wf7 s THR 65 Cb -1.09 -3.03 -0.08 0.00 1.34 0.00 0.00 72.50 69.64 1wf7 s THR 65 CO 0.55 -0.03 1.55 -0.74 -0.54 0.00 0.00 174.62 175.41 1wf7 h HIS 66 N -1.02 -1.61 -0.48 3.99 2.76 -1.91 0.17 115.15 117.05 1wf7 h HIS 66 Ca -0.46 0.08 0.09 0.00 -2.20 0.00 0.00 60.37 57.88 1wf7 h HIS 66 Cb 1.33 0.76 -0.10 0.00 1.55 0.00 0.00 27.41 30.94 1wf7 h HIS 66 CO 0.32 -0.48 -0.33 1.25 -1.30 0.00 0.00 177.93 177.39 1wf7 h LEU 67 N -0.38 -1.13 -0.27 0.26 7.12 -1.93 0.34 115.31 119.32 1wf7 h LEU 67 Ca 0.09 0.21 0.05 0.00 0.13 0.00 0.00 57.88 58.36 1wf7 h LEU 67 Cb 0.59 0.54 -0.08 0.00 -0.53 0.00 0.00 40.66 41.19 1wf7 h LEU 67 CO -0.60 -0.31 -0.50 -0.33 -0.13 0.00 0.00 178.44 176.56 1wf7 h GLU 68 N -0.22 -0.44 -0.94 1.25 5.08 -1.37 1.58 114.58 119.51 1wf7 h GLU 68 Ca 0.19 0.03 0.16 0.00 -1.00 0.00 0.00 59.36 58.74 1wf7 h GLU 68 Cb 0.54 0.10 -0.10 0.00 0.50 0.00 0.00 28.75 29.80 1wf7 h GLU 68 CO -0.60 -0.29 0.55 0.00 -1.00 0.00 0.00 179.01 177.67 1wf7 h ALA 69 N 0.02 1.48 -0.41 3.43 0.00 0.52 0.25 119.26 124.55 1wf7 h ALA 69 Ca 0.08 0.07 -0.12 0.00 0.00 0.00 0.00 54.91 54.94 1wf7 h ALA 69 Cb 0.63 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1wf7 h ALA 69 CO -0.51 -0.01 -0.21 1.96 0.00 0.00 0.00 179.25 180.48 1wf7 h GLN 70 N 0.76 0.80 -0.06 0.00 4.20 0.28 -1.63 115.11 119.46 1wf7 h GLN 70 Ca 0.52 -0.32 0.01 0.00 0.06 0.00 0.00 58.65 58.91 1wf7 h GLN 70 Cb 0.72 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.45 1wf7 h GLN 70 CO -0.35 0.94 0.00 -0.91 -0.67 0.00 0.00 178.83 177.85 1wf7 h ASN 71 N 0.70 -0.02 0.19 1.46 2.35 0.54 0.49 115.58 121.29 1wf7 h ASN 71 Ca 0.10 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.86 1wf7 h ASN 71 Cb 0.73 0.02 -0.01 0.00 0.05 0.00 0.00 38.32 39.11 1wf7 h ASN 71 CO 0.06 0.00 -0.16 0.11 -1.65 0.00 0.00 177.43 175.78 1wf7 h LYS 72 N 0.02 -0.36 -0.78 0.81 1.79 -0.91 0.19 116.57 117.33 1wf7 h LYS 72 Ca 0.03 0.02 0.11 0.00 -2.18 0.00 0.00 60.65 58.63 1wf7 h LYS 72 Cb 0.03 0.08 -0.05 0.00 -1.58 0.00 0.00 32.23 30.71 1wf7 h LYS 72 CO -0.05 -0.24 0.51 0.82 -1.08 0.00 0.00 179.45 179.42 1wf7 h ILE 73 N -0.37 0.90 -0.21 1.86 2.04 -1.02 -0.10 117.51 120.61 1wf7 h ILE 73 Ca -0.00 -0.22 -0.02 0.00 1.00 0.00 0.00 64.86 65.61 1wf7 h ILE 73 Cb 0.34 0.21 -0.01 0.00 -0.74 0.00 0.00 36.82 36.62 1wf7 h ILE 73 CO -0.03 0.12 0.04 0.11 0.00 0.00 0.00 178.15 178.39 1wf7 h LYS 74 N 0.64 0.35 -0.69 2.37 1.57 0.11 -2.39 116.57 118.52 1wf7 h LYS 74 Ca 0.37 -0.09 0.11 0.00 -1.87 0.00 0.00 60.65 59.17 1wf7 h LYS 74 Cb 0.56 -0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.79 1wf7 h LYS 74 CO -0.14 0.49 0.46 0.00 -0.57 0.00 0.00 179.45 179.69 1wf7 h ALA 75 N 0.84 1.96 -0.50 3.86 0.00 0.11 -3.36 119.26 122.18 1wf7 h ALA 75 Ca 0.06 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 1wf7 h ALA 75 Cb 0.31 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 1wf7 h ALA 75 CO 0.00 -0.12 0.30 0.00 0.00 0.00 0.00 179.25 179.43 1wf7 n THR 77 N 8.59 4.55 0.00 0.00 5.66 -1.26 -4.58 114.28 127.25 1wf7 n THR 77 Ca 0.46 -5.68 0.00 0.00 -3.05 0.00 0.00 64.05 55.78 1wf7 n THR 77 Cb 0.43 -2.17 0.00 0.00 -1.55 0.00 0.00 70.33 67.04 1wf7 n THR 77 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1wf7 n GLY 78 N 1.49 0.34 3.10 1.09 0.00 -1.24 -5.03 105.19 104.95 1wf7 n GLY 78 Ca 0.26 0.14 -0.08 0.00 0.00 0.00 0.00 46.02 46.34 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 0.61 -0.10 1.61 1.04 -1.26 -2.10 113.70 113.50 1wf7 s SER 79 Ca 0.00 -0.97 0.04 0.00 0.48 0.00 0.00 55.95 55.49 1wf7 s SER 79 Cb 0.00 0.17 -0.00 0.00 0.10 0.00 0.00 66.02 66.29 1wf7 s SER 79 CO 0.00 -0.55 -0.22 -0.22 0.98 0.00 0.00 173.24 173.22 1wf7 s LEU 80 N -2.86 2.21 -0.28 2.42 2.96 0.13 -4.76 118.68 118.51 1wf7 s LEU 80 Ca 0.07 -0.50 0.01 0.00 -0.22 0.00 0.00 54.13 53.48 1wf7 s LEU 80 Cb 0.06 -1.44 0.08 0.00 0.50 0.00 0.00 46.19 45.39 1wf7 s LEU 80 CO -0.08 0.18 0.02 0.20 -1.32 0.00 0.00 176.35 175.34 1wf7 s ASN 81 N 0.23 4.06 0.02 3.68 0.01 -1.26 -1.49 114.94 120.20 1wf7 s ASN 81 Ca -0.14 -1.51 -0.02 0.00 -0.71 0.00 0.00 52.86 50.47 1wf7 s ASN 81 Cb -0.17 -1.16 -0.02 0.00 0.41 0.00 0.00 41.25 40.32 1wf7 s ASN 81 CO 0.07 -0.32 0.02 -0.04 -1.51 0.00 0.00 177.10 175.32 1wf7 s MET 82 N 1.37 0.41 0.04 -0.60 -1.94 -1.18 0.19 119.30 117.58 1wf7 s MET 82 Ca 0.03 -0.64 -0.05 0.00 -1.71 0.00 0.00 55.69 53.32 1wf7 s MET 82 Cb -0.18 0.15 -0.05 0.00 2.01 0.00 0.00 34.83 36.76 1wf7 s MET 82 CO -0.12 -0.08 0.27 0.99 -0.01 0.00 0.00 175.02 176.07 1wf7 s THR 83 N -1.81 5.30 0.34 2.05 2.01 -1.09 -1.50 115.64 120.93 1wf7 s THR 83 Ca -0.12 0.05 0.09 0.00 0.31 0.00 0.00 61.69 62.02 1wf7 s THR 83 Cb -0.07 -3.58 -0.05 0.00 0.01 0.00 0.00 72.50 68.81 1wf7 s THR 83 CO -0.02 0.28 -0.01 -0.76 -0.69 0.00 0.00 174.62 173.42 1wf7 s LEU 84 N -2.01 2.94 -0.14 4.42 1.43 -0.94 -1.05 118.68 123.34 1wf7 s LEU 84 Ca 0.31 -1.01 0.01 0.00 -1.03 0.00 0.00 54.13 52.41 1wf7 s LEU 84 Cb -0.13 -1.31 -0.00 0.00 0.03 0.00 0.00 46.19 44.77 1wf7 s LEU 84 CO 0.19 -0.21 -0.16 -1.58 0.23 0.00 0.00 176.35 174.81 1wf7 s GLN 85 N -3.69 3.22 -0.16 1.70 0.74 -0.70 -4.16 119.66 116.62 1wf7 s GLN 85 Ca 0.34 -0.76 -0.29 0.00 0.05 0.00 0.00 55.36 54.70 1wf7 s GLN 85 Cb -0.00 -2.56 -0.01 0.00 1.10 0.00 0.00 33.01 31.53 1wf7 s GLN 85 CO 0.19 0.10 1.18 1.03 -0.55 0.00 0.00 175.29 177.24 1wf7 s ARG 86 N 0.61 4.27 -0.90 1.67 3.00 -1.26 -4.32 118.95 122.03 1wf7 s ARG 86 Ca -0.09 1.58 -0.01 0.00 0.00 0.00 0.00 55.73 57.20 1wf7 s ARG 86 Cb -0.16 -3.69 0.22 0.00 0.00 0.00 0.00 34.95 31.33 1wf7 s ARG 86 CO 0.03 -0.62 0.81 0.00 0.00 0.00 0.00 175.30 175.52 1wf7 n ALA 87 N 6.19 3.85 -2.22 2.13 0.00 -1.26 -4.95 120.51 124.26 1wf7 n ALA 87 Ca 0.13 -4.61 -0.19 0.00 0.00 0.00 0.00 53.44 48.77 1wf7 n ALA 87 Cb 0.46 -1.68 0.01 0.00 0.00 0.00 0.00 19.45 18.23 1wf7 n ALA 87 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1wf7 s SER 88 N -0.33 5.77 -0.38 0.00 1.04 -1.26 -4.78 113.70 113.76 1wf7 s SER 88 Ca 0.28 -0.24 -0.11 0.00 0.48 0.00 0.00 55.95 56.36 1wf7 s SER 88 Cb -0.06 -0.97 0.01 0.00 0.10 0.00 0.00 66.02 65.10 1wf7 s SER 88 CO -0.12 -0.66 0.50 0.00 0.98 0.00 0.00 173.24 173.94 1wf7 n ALA 89 N -1.82 -2.93 -3.15 5.32 0.00 -1.26 -5.00 120.51 111.67 1wf7 n ALA 89 Ca 0.04 0.84 -0.20 0.00 0.00 0.00 0.00 53.44 54.12 1wf7 n ALA 89 Cb 0.59 -2.86 -0.04 0.00 0.00 0.00 0.00 19.45 17.14 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 -0.50 2.60 -0.63 0.00 0.00 -1.26 -5.11 120.51 115.60 1wf7 n ALA 90 Ca 0.08 -3.68 -0.29 0.00 0.00 0.00 0.00 53.44 49.56 1wf7 n ALA 90 Cb 0.39 -0.88 0.24 0.00 0.00 0.00 0.00 19.45 19.19 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 -2.54 -0.16 0.12 0.00 0.00 -1.26 -5.05 121.76 112.87 1wf7 s ALA 91 Ca 0.41 -0.09 0.05 0.00 0.00 0.00 0.00 51.96 52.34 1wf7 s ALA 91 Cb 0.32 -3.25 -0.04 0.00 0.00 0.00 0.00 23.12 20.15 1wf7 s ALA 91 CO -0.09 -3.65 -0.13 -1.59 0.00 0.00 0.00 175.76 170.30 1wf7 s LYS 92 N -4.53 0.98 -0.43 0.00 0.00 -1.26 -5.12 119.74 109.39 1wf7 s LYS 92 Ca 0.68 -1.21 -0.02 0.00 0.00 0.00 0.00 55.97 55.41 1wf7 s LYS 92 Cb -0.24 -0.82 0.11 0.00 0.00 0.00 0.00 37.83 36.88 1wf7 s LYS 92 CO 0.63 0.15 0.22 0.45 0.00 0.00 0.00 175.35 176.80 1wf7 s SER 93 N -2.43 5.22 -0.05 0.03 0.15 -1.26 -5.08 113.70 110.29 1wf7 s SER 93 Ca 0.08 -2.12 0.05 0.00 0.70 0.00 0.00 55.95 54.66 1wf7 s SER 93 Cb -0.05 -1.82 -0.02 0.00 -1.71 0.00 0.00 66.02 62.43 1wf7 s SER 93 CO 0.02 -0.52 -0.21 -0.70 1.20 0.00 0.00 173.24 173.04 1wf7 s GLU 94 N 1.01 2.46 0.16 5.44 2.56 -1.26 -5.11 118.70 123.96 1wf7 s GLU 94 Ca 0.09 -0.82 -0.30 0.00 0.00 0.00 0.00 54.97 53.94 1wf7 s GLU 94 Cb -0.22 -2.24 -0.07 0.00 2.00 0.00 0.00 34.13 33.60 1wf7 s GLU 94 CO -0.04 0.51 1.12 -1.25 -0.56 0.00 0.00 175.26 175.04 1wf7 s PRO 95 N -0.47 4.56 -0.18 4.30 0.04 -1.26 -5.03 135.00 136.95 1wf7 s PRO 95 Ca 0.06 1.74 -0.05 0.00 0.04 0.00 0.00 61.00 62.79 1wf7 s PRO 95 Cb -0.12 -3.28 -0.03 0.00 0.04 0.00 0.00 34.50 31.11 1wf7 s PRO 95 CO 0.01 0.01 -0.01 0.08 0.04 0.00 0.00 177.00 177.13 1wf7 s VAL 96 N -0.03 4.02 0.03 -0.36 1.01 -1.26 -5.10 120.40 118.72 1wf7 s VAL 96 Ca 0.51 -0.30 0.06 0.00 0.00 0.00 0.00 61.98 62.25 1wf7 s VAL 96 Cb -0.30 -2.80 -0.03 0.00 0.00 0.00 0.00 36.38 33.25 1wf7 s VAL 96 CO 0.34 0.45 -0.13 -0.94 0.00 0.00 0.00 175.10 174.83 1wf7 s SER 97 N 0.71 4.17 -0.30 3.32 1.04 -1.26 -5.10 113.70 116.29 1wf7 s SER 97 Ca -0.00 -0.31 -0.19 0.00 0.48 0.00 0.00 55.95 55.93 1wf7 s SER 97 Cb -0.14 -0.81 0.19 0.00 0.10 0.00 0.00 66.02 65.35 1wf7 s SER 97 CO 0.02 0.26 1.26 -0.55 0.98 0.00 0.00 173.24 175.21 1wf7 s SER 98 N -1.49 -0.11 -0.54 7.02 0.15 -1.26 -5.10 113.70 112.36 1wf7 s SER 98 Ca 0.16 0.13 -0.33 0.00 0.70 0.00 0.00 55.95 56.61 1wf7 s SER 98 Cb -0.11 1.12 -0.14 0.00 -1.71 0.00 0.00 66.02 65.18 1wf7 s SER 98 CO 0.07 -0.02 2.35 0.61 1.20 0.00 0.00 173.24 177.45 1wf7 n GLY 99 N 4.75 0.14 2.91 9.45 0.00 -1.26 -4.78 105.19 116.41 1wf7 n GLY 99 Ca -0.07 0.95 -0.42 0.00 0.00 0.00 0.00 46.02 46.47 1wf7 n GLY 99 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wf7 n PRO 100 N 8.38 2.15 -4.22 1.61 -0.04 -1.26 -4.89 135.00 136.73 1wf7 n PRO 100 Ca 0.47 -2.19 -0.32 0.00 -0.04 0.00 0.00 63.50 61.43 1wf7 n PRO 100 Cb 0.22 -3.08 -0.08 0.00 -0.04 0.00 0.00 33.50 30.52 1wf7 n PRO 100 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1wf7 s SER 101 N 4.12 5.19 -0.19 3.54 1.04 -1.26 -5.11 113.70 121.03 1wf7 s SER 101 Ca 0.53 -0.03 0.01 0.00 0.48 0.00 0.00 55.95 56.94 1wf7 s SER 101 Cb 0.14 -1.35 0.02 0.00 0.10 0.00 0.00 66.02 64.93 1wf7 s SER 101 CO 0.02 0.25 -0.19 -0.44 0.98 0.00 0.00 173.24 173.86 1wf7 s SER 102 N -1.78 3.27 0.00 7.02 0.01 -1.26 -5.27 113.70 115.68 1wf7 s SER 102 Ca 0.22 -0.68 0.30 0.00 1.31 0.00 0.00 55.95 57.10 1wf7 s SER 102 Cb -0.12 -1.50 1.54 0.00 0.21 0.00 0.00 66.02 66.15 1wf7 s SER 102 CO 0.13 -0.01 2.02 0.61 0.41 0.00 0.00 173.24 176.40