#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wv6 n PRO 2 N 0.00 1.02 0.00 0.00 -0.02 -1.26 -4.93 135.00 129.81 2wv6 n PRO 2 Ca 0.00 0.40 0.04 0.00 -2.02 0.00 0.00 63.50 61.92 2wv6 n PRO 2 Cb 0.00 -2.33 0.03 0.00 -0.02 0.00 0.00 33.50 31.18 2wv6 n PRO 2 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 2wv6 n GLN 3 N -1.35 0.48 -3.84 -0.52 7.27 -1.26 -4.98 117.38 113.18 2wv6 n GLN 3 Ca 0.14 -0.92 -0.05 0.00 0.07 0.00 0.00 57.00 56.25 2wv6 n GLN 3 Cb 0.47 -1.14 0.01 0.00 2.41 0.00 0.00 30.24 32.00 2wv6 n GLN 3 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 2wv6 s ASN 4 N -0.76 -0.05 0.32 1.69 2.20 -1.26 -5.05 114.94 112.03 2wv6 s ASN 4 Ca 0.09 -0.74 0.17 0.00 -0.94 0.00 0.00 52.86 51.44 2wv6 s ASN 4 Cb 0.07 0.60 0.34 0.00 -2.00 0.00 0.00 41.25 40.26 2wv6 s ASN 4 CO 0.12 -1.18 1.57 -0.29 -2.94 0.00 0.00 177.10 174.38 2wv6 h ILE 5 N 2.00 0.87 -0.17 0.54 2.10 -1.96 -2.01 117.51 118.88 2wv6 h ILE 5 Ca -0.28 -1.93 -0.05 0.00 1.08 0.00 0.00 64.86 63.69 2wv6 h ILE 5 Cb 1.23 2.21 -0.00 0.00 -1.09 0.00 0.00 36.82 39.17 2wv6 h ILE 5 CO 0.34 0.44 -0.08 0.74 -1.08 0.00 0.00 178.15 178.52 2wv6 h THR 6 N 0.00 1.31 -0.67 2.19 2.02 -1.99 -0.54 112.91 115.24 2wv6 h THR 6 Ca -0.00 -1.12 0.01 0.00 0.77 0.00 0.00 66.41 66.06 2wv6 h THR 6 Cb 1.18 1.70 -0.03 0.00 -1.74 0.00 0.00 68.15 69.25 2wv6 h THR 6 CO 0.06 0.33 0.44 -0.33 0.37 0.00 0.00 175.52 176.39 2wv6 h GLU 7 N 0.03 0.88 -0.36 6.66 5.08 -1.95 -1.78 114.58 123.13 2wv6 h GLU 7 Ca 0.04 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.30 2wv6 h GLU 7 Cb 0.55 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 2wv6 h GLU 7 CO 0.02 0.58 0.07 1.25 -1.00 0.00 0.00 179.01 179.94 2wv6 h LEU 8 N 0.90 0.57 -1.27 1.33 6.46 -1.31 -2.94 115.31 119.06 2wv6 h LEU 8 Ca 0.24 -0.25 -0.06 0.00 -0.12 0.00 0.00 57.88 57.69 2wv6 h LEU 8 Cb -0.10 -0.15 -0.01 0.00 -0.73 0.00 0.00 40.66 39.66 2wv6 h LEU 8 CO -0.05 0.67 -0.16 0.00 -0.62 0.00 0.00 178.44 178.28 2wv6 h SER 10 N 0.28 0.00 1.22 0.00 4.64 -1.14 -3.07 113.55 115.48 2wv6 h SER 10 Ca 0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 2wv6 h SER 10 Cb 0.46 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.55 2wv6 h SER 10 CO 0.03 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.37 2wv6 n GLU 11 N -2.92 0.20 -4.32 4.77 1.02 -0.97 -4.86 120.64 113.56 2wv6 n GLU 11 Ca -0.00 0.23 -0.26 0.00 -0.02 0.00 0.00 57.16 57.10 2wv6 n GLU 11 Cb 0.21 -1.76 -0.09 0.00 -0.02 0.00 0.00 31.44 29.78 2wv6 n GLU 11 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 2wv6 s TYR 12 N -3.12 2.57 0.31 -0.32 1.51 -1.16 -5.12 117.35 112.01 2wv6 s TYR 12 Ca 0.10 -0.25 -0.27 0.00 -1.01 0.00 0.00 57.07 55.64 2wv6 s TYR 12 Cb 0.13 -1.23 -0.10 0.00 -0.11 0.00 0.00 41.96 40.65 2wv6 s TYR 12 CO 0.53 0.55 0.95 -1.58 -1.11 0.00 0.00 175.55 174.89 2wv6 s HIS 13 N -1.86 3.75 -1.32 2.71 2.46 -1.26 -4.15 115.29 115.61 2wv6 s HIS 13 Ca 0.26 1.81 -0.08 0.00 0.47 0.00 0.00 55.06 57.51 2wv6 s HIS 13 Cb -0.08 -2.95 0.01 0.00 -0.13 0.00 0.00 32.58 29.43 2wv6 s HIS 13 CO 0.15 0.23 1.10 0.09 -2.47 0.00 0.00 174.74 173.84 2wv6 n ASN 14 N 0.76 -6.20 -4.52 9.88 3.02 -1.26 -4.96 115.26 111.98 2wv6 n ASN 14 Ca 0.01 -0.50 -0.24 0.00 -0.03 0.00 0.00 54.58 53.82 2wv6 n ASN 14 Cb 0.49 -4.84 -0.09 0.00 -0.61 0.00 0.00 39.78 34.73 2wv6 n ASN 14 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 2wv6 s THR 15 N -3.29 2.68 0.04 3.41 -4.23 -1.26 -1.89 115.64 111.10 2wv6 s THR 15 Ca 0.54 -2.28 -0.11 0.00 -1.18 0.00 0.00 61.69 58.66 2wv6 s THR 15 Cb -0.24 -2.45 0.01 0.00 1.34 0.00 0.00 72.50 71.17 2wv6 s THR 15 CO 0.67 -0.38 0.24 0.00 -0.54 0.00 0.00 174.62 174.61 2wv6 s GLN 16 N -3.56 0.74 -0.10 3.99 -2.07 -0.01 -4.89 119.66 113.77 2wv6 s GLN 16 Ca 0.31 -0.58 -0.16 0.00 -1.82 0.00 0.00 55.36 53.11 2wv6 s GLN 16 Cb -0.05 0.31 -0.05 0.00 -1.09 0.00 0.00 33.01 32.14 2wv6 s GLN 16 CO 0.16 -0.23 0.39 0.42 -1.32 0.00 0.00 175.29 174.72 2wv6 s ILE 17 N -2.56 5.19 -0.20 3.63 -1.09 -1.26 -1.03 121.20 123.87 2wv6 s ILE 17 Ca -0.05 0.78 -0.03 0.00 -2.23 0.00 0.00 60.65 59.11 2wv6 s ILE 17 Cb -0.01 -3.72 -0.01 0.00 -1.58 0.00 0.00 42.46 37.14 2wv6 s ILE 17 CO -0.04 0.42 -0.06 -0.31 -1.23 0.00 0.00 174.94 173.73 2wv6 s TYR 18 N 0.07 2.94 -0.26 3.97 1.51 0.64 -4.99 117.35 121.23 2wv6 s TYR 18 Ca 0.22 -0.82 -0.17 0.00 -1.01 0.00 0.00 57.07 55.29 2wv6 s TYR 18 Cb -0.15 -2.05 -0.03 0.00 -0.11 0.00 0.00 41.96 39.62 2wv6 s TYR 18 CO 0.09 -0.44 0.47 -2.00 -1.11 0.00 0.00 175.55 172.56 2wv6 s GLU 19 N 1.19 4.07 -0.00 -0.62 2.12 -1.26 -1.09 118.70 123.10 2wv6 s GLU 19 Ca 0.02 0.26 -0.06 0.00 0.36 0.00 0.00 54.97 55.55 2wv6 s GLU 19 Cb -0.14 -3.64 -0.02 0.00 0.26 0.00 0.00 34.13 30.58 2wv6 s GLU 19 CO -0.01 -0.30 -0.12 1.28 -0.54 0.00 0.00 175.26 175.57 2wv6 n LEU 20 N 5.38 1.33 -3.80 2.70 4.77 -0.18 -5.01 117.00 122.18 2wv6 n LEU 20 Ca -0.05 0.20 -0.24 0.00 -0.03 0.00 0.00 56.01 55.88 2wv6 n LEU 20 Cb 0.50 -0.46 0.02 0.00 -2.33 0.00 0.00 43.42 41.15 2wv6 n LEU 20 CO 0.40 -0.52 -0.09 0.59 -1.33 0.00 0.00 177.39 176.44 2wv6 n ASN 21 N -3.79 -1.43 -3.95 -1.43 3.02 0.92 -4.98 115.26 103.62 2wv6 n ASN 21 Ca -0.06 -0.87 -0.09 0.00 -0.03 0.00 0.00 54.58 53.54 2wv6 n ASN 21 Cb 0.22 -3.75 -0.09 0.00 -0.61 0.00 0.00 39.78 35.55 2wv6 n ASN 21 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2wv6 s LYS 22 N -6.22 0.68 0.59 3.52 1.02 -0.82 -4.89 119.74 113.62 2wv6 s LYS 22 Ca 0.10 -0.94 -0.12 0.00 0.02 0.00 0.00 55.97 55.03 2wv6 s LYS 22 Cb -0.05 0.26 -0.05 0.00 -0.52 0.00 0.00 37.83 37.47 2wv6 s LYS 22 CO 0.84 -0.18 1.01 -1.83 -0.92 0.00 0.00 175.35 174.27 2wv6 s GLU 23 N -3.35 3.68 0.15 1.68 -1.05 -1.26 -0.18 118.70 118.36 2wv6 s GLU 23 Ca 0.01 0.77 -0.30 0.00 -0.15 0.00 0.00 54.97 55.30 2wv6 s GLU 23 Cb 0.03 -2.11 -0.08 0.00 -0.44 0.00 0.00 34.13 31.54 2wv6 s GLU 23 CO -0.08 -0.48 1.24 0.42 0.95 0.00 0.00 175.26 177.31 2wv6 s ILE 24 N -3.03 3.59 -0.13 1.83 1.01 -1.26 -4.65 121.20 118.56 2wv6 s ILE 24 Ca 0.55 1.26 0.01 0.00 0.00 0.00 0.00 60.65 62.47 2wv6 s ILE 24 Cb -0.11 -3.80 -0.24 0.00 0.01 0.00 0.00 42.46 38.32 2wv6 s ILE 24 CO 0.48 0.16 0.33 1.17 0.00 0.00 0.00 174.94 177.08 2wv6 n LYS 25 N 3.03 0.71 -3.92 2.79 4.81 -0.02 -4.89 118.16 120.67 2wv6 n LYS 25 Ca 0.07 0.24 -0.14 0.00 -0.87 0.00 0.00 58.31 57.61 2wv6 n LYS 25 Cb 0.44 -1.69 -0.15 0.00 0.02 0.00 0.00 35.03 33.66 2wv6 n LYS 25 CO 0.00 0.00 0.00 0.95 1.17 0.00 0.00 177.40 179.52 2wv6 s THR 26 N -2.56 0.09 -0.13 3.15 -4.23 -0.87 -4.98 115.64 106.12 2wv6 s THR 26 Ca -0.19 -0.01 0.02 0.00 -1.18 0.00 0.00 61.69 60.32 2wv6 s THR 26 Cb 0.07 -0.11 0.01 0.00 1.34 0.00 0.00 72.50 73.82 2wv6 s THR 26 CO 0.76 0.05 -0.18 -0.47 -0.54 0.00 0.00 174.62 174.24 2wv6 s TYR 27 N 0.19 2.31 -0.03 3.99 5.04 -1.26 -0.85 117.35 126.73 2wv6 s TYR 27 Ca -0.02 -1.17 0.04 0.00 -2.44 0.00 0.00 57.07 53.48 2wv6 s TYR 27 Cb -0.03 -1.62 -0.00 0.00 0.35 0.00 0.00 41.96 40.65 2wv6 s TYR 27 CO -0.01 -0.58 -0.15 0.99 -1.34 0.00 0.00 175.55 174.47 2wv6 s THR 28 N 1.03 1.23 -0.01 4.34 2.01 0.14 -5.01 115.64 119.36 2wv6 s THR 28 Ca -0.04 -0.61 0.01 0.00 0.31 0.00 0.00 61.69 61.35 2wv6 s THR 28 Cb -0.15 -1.06 0.01 0.00 0.01 0.00 0.00 72.50 71.31 2wv6 s THR 28 CO -0.04 0.36 -0.03 -0.70 -0.69 0.00 0.00 174.62 173.52 2wv6 s GLU 29 N 0.03 0.30 0.32 4.92 2.12 -1.26 -0.81 118.70 124.31 2wv6 s GLU 29 Ca -0.02 -0.07 0.10 0.00 0.36 0.00 0.00 54.97 55.33 2wv6 s GLU 29 Cb -0.10 -0.33 -0.05 0.00 0.26 0.00 0.00 34.13 33.91 2wv6 s GLU 29 CO 0.01 0.02 -0.03 -1.12 -0.54 0.00 0.00 175.26 173.60 2wv6 s SER 30 N 0.21 4.13 0.76 -1.70 0.01 -0.19 -4.99 113.70 111.93 2wv6 s SER 30 Ca -0.02 -0.94 -0.12 0.00 1.31 0.00 0.00 55.95 56.18 2wv6 s SER 30 Cb -0.05 -0.55 0.05 0.00 0.21 0.00 0.00 66.02 65.69 2wv6 s SER 30 CO -0.00 -0.14 1.12 -0.76 0.41 0.00 0.00 173.24 173.86 2wv6 s LEU 31 N -3.67 3.13 0.42 2.44 1.43 -1.26 -3.88 118.68 117.29 2wv6 s LEU 31 Ca 0.33 1.98 -0.26 0.00 -1.03 0.00 0.00 54.13 55.16 2wv6 s LEU 31 Cb -0.02 -4.54 -0.09 0.00 0.03 0.00 0.00 46.19 41.57 2wv6 s LEU 31 CO 0.19 -2.12 1.36 0.00 0.23 0.00 0.00 176.35 176.01 2wv6 s ALA 32 N -2.61 3.28 0.00 4.21 0.00 -1.26 -4.43 121.76 120.94 2wv6 s ALA 32 Ca 0.65 1.35 0.00 0.00 0.00 0.00 0.00 51.96 53.96 2wv6 s ALA 32 Cb -0.20 -3.54 0.00 0.00 0.00 0.00 0.00 23.12 19.38 2wv6 s ALA 32 CO 0.51 -0.98 0.00 0.41 0.00 0.00 0.00 175.76 175.70 2wv6 n GLY 33 N 0.62 0.97 0.00 0.00 0.00 -1.26 -5.31 105.19 100.21 2wv6 n GLY 33 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 2wv6 n GLY 33 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2wv6 n MET 37 N 0.00 0.00 -5.09 1.61 0.00 -1.25 -5.26 117.12 107.13 2wv6 n MET 37 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 57.70 57.38 2wv6 n MET 37 Cb 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 33.22 33.06 2wv6 n MET 37 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 175.97 176.05 2wv6 s VAL 38 N -0.40 2.39 -0.03 1.12 1.01 -1.26 -1.03 120.40 122.20 2wv6 s VAL 38 Ca 0.00 -0.91 0.03 0.00 0.00 0.00 0.00 61.98 61.10 2wv6 s VAL 38 Cb 0.00 -1.94 0.00 0.00 0.00 0.00 0.00 36.38 34.44 2wv6 s VAL 38 CO 0.00 0.55 -0.12 -0.63 0.00 0.00 0.00 175.10 174.90 2wv6 s ILE 39 N 0.21 1.05 0.11 2.22 1.01 0.01 -1.21 121.20 124.60 2wv6 s ILE 39 Ca -0.13 -0.51 0.10 0.00 0.00 0.00 0.00 60.65 60.11 2wv6 s ILE 39 Cb -0.16 -0.92 -0.04 0.00 0.01 0.00 0.00 42.46 41.35 2wv6 s ILE 39 CO 0.07 0.32 -0.25 0.27 0.00 0.00 0.00 174.94 175.35 2wv6 s ILE 40 N 0.15 2.06 0.05 2.92 -4.36 0.33 -0.69 121.20 121.67 2wv6 s ILE 40 Ca -0.04 -1.64 -0.00 0.00 -0.26 0.00 0.00 60.65 58.71 2wv6 s ILE 40 Cb -0.10 -1.83 -0.04 0.00 1.25 0.00 0.00 42.46 41.74 2wv6 s ILE 40 CO 0.01 0.07 -0.04 -0.94 0.24 0.00 0.00 174.94 174.28 2wv6 s SER 41 N -1.92 0.59 0.35 4.36 1.04 -0.03 -1.01 113.70 117.08 2wv6 s SER 41 Ca 0.11 -0.88 0.08 0.00 0.48 0.00 0.00 55.95 55.75 2wv6 s SER 41 Cb -0.10 0.15 -0.05 0.00 0.10 0.00 0.00 66.02 66.13 2wv6 s SER 41 CO 0.05 -0.49 0.12 -0.36 0.98 0.00 0.00 173.24 173.53 2wv6 s PHE 42 N -3.24 2.66 0.32 5.02 0.40 -0.13 -0.84 117.98 122.17 2wv6 s PHE 42 Ca 0.03 -0.42 0.36 0.00 -0.60 0.00 0.00 56.93 56.29 2wv6 s PHE 42 Cb 0.03 -1.65 1.94 0.00 0.51 0.00 0.00 43.02 43.85 2wv6 s PHE 42 CO -0.07 0.35 2.10 0.00 0.70 0.00 0.00 175.22 178.30 2wv6 h ALA 43 N 1.59 1.00 -0.11 5.36 0.00 -1.89 -0.98 119.26 124.23 2wv6 h ALA 43 Ca -0.43 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.48 2wv6 h ALA 43 Cb 1.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.04 2wv6 h ALA 43 CO 0.65 0.00 0.00 0.27 0.00 0.00 0.00 179.25 180.17 2wv6 n ASN 44 N -2.76 1.44 0.00 0.00 6.94 -1.26 -4.92 115.26 114.70 2wv6 n ASN 44 Ca -0.02 -1.61 0.00 0.00 -0.02 0.00 0.00 54.58 52.92 2wv6 n ASN 44 Cb 0.06 -0.07 0.00 0.00 -2.36 0.00 0.00 39.78 37.41 2wv6 n ASN 44 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2wv6 n GLY 45 N 1.11 1.27 3.71 4.83 0.00 -0.37 -5.03 105.19 110.70 2wv6 n GLY 45 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 2wv6 n GLY 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wv6 s ALA 46 N -2.36 3.80 -0.03 4.61 0.00 -1.25 -4.77 121.76 121.75 2wv6 s ALA 46 Ca 0.00 1.42 0.03 0.00 0.00 0.00 0.00 51.96 53.41 2wv6 s ALA 46 Cb 0.00 -3.69 -0.00 0.00 0.00 0.00 0.00 23.12 19.43 2wv6 s ALA 46 CO 0.00 -0.97 -0.13 0.99 0.00 0.00 0.00 175.76 175.65 2wv6 s THR 47 N 1.76 1.08 0.02 0.00 2.01 -1.26 -0.96 115.64 118.29 2wv6 s THR 47 Ca 0.74 -0.53 -0.01 0.00 0.31 0.00 0.00 61.69 62.20 2wv6 s THR 47 Cb -0.45 -0.94 -0.02 0.00 0.01 0.00 0.00 72.50 71.10 2wv6 s THR 47 CO 0.33 0.32 -0.01 -0.36 -0.69 0.00 0.00 174.62 174.21 2wv6 s PHE 48 N 0.09 0.27 0.17 4.92 0.08 -0.18 -3.87 117.98 119.47 2wv6 s PHE 48 Ca -0.03 -0.57 0.09 0.00 0.12 0.00 0.00 56.93 56.55 2wv6 s PHE 48 Cb -0.10 -0.20 -0.04 0.00 -0.57 0.00 0.00 43.02 42.11 2wv6 s PHE 48 CO 0.01 -0.24 -0.19 1.14 -0.10 0.00 0.00 175.22 175.84 2wv6 s GLN 49 N -1.89 1.34 -0.41 0.44 -2.07 -0.30 -0.51 119.66 116.25 2wv6 s GLN 49 Ca -0.12 -1.44 -0.15 0.00 -1.82 0.00 0.00 55.36 51.83 2wv6 s GLN 49 Cb -0.07 -1.45 0.03 0.00 -1.09 0.00 0.00 33.01 30.43 2wv6 s GLN 49 CO -0.02 0.30 0.30 0.08 -1.32 0.00 0.00 175.29 174.63 2wv6 s VAL 50 N -1.98 5.22 0.04 3.63 1.01 -0.35 -1.58 120.40 126.40 2wv6 s VAL 50 Ca 0.17 -0.71 -0.16 0.00 0.00 0.00 0.00 61.98 61.28 2wv6 s VAL 50 Cb -0.06 -3.93 -0.25 0.00 0.00 0.00 0.00 36.38 32.14 2wv6 s VAL 50 CO 0.07 -0.33 1.13 -0.08 0.00 0.00 0.00 175.10 175.89 2wv6 h GLU 51 N 8.63 0.59 0.00 2.72 4.81 -1.88 -3.36 114.58 126.09 2wv6 h GLU 51 Ca -0.27 -0.67 0.00 0.00 -0.13 0.00 0.00 59.36 58.29 2wv6 h GLU 51 Cb 1.12 0.20 0.00 0.00 0.63 0.00 0.00 28.75 30.70 2wv6 h GLU 51 CO 0.74 1.27 0.00 1.63 -0.73 0.00 0.00 179.01 181.92 2wv6 n LYS 62 N -3.96 0.00 -0.36 1.92 4.01 -1.26 -4.94 118.16 113.57 2wv6 n LYS 62 Ca -0.11 0.00 -0.08 0.00 -0.51 0.00 0.00 58.31 57.61 2wv6 n LYS 62 Cb 0.84 -0.06 -0.06 0.00 -0.51 0.00 0.00 35.03 35.24 2wv6 n LYS 62 CO 0.00 0.00 0.00 2.89 -1.11 0.00 0.00 177.40 179.18 2wv6 n ARG 63 N -1.35 -0.34 -0.34 1.97 1.85 -1.26 0.06 116.66 117.25 2wv6 n ARG 63 Ca 0.00 1.31 0.16 0.00 -1.00 0.00 0.00 57.85 58.31 2wv6 n ARG 63 Cb 0.00 -1.93 0.36 0.00 -1.05 0.00 0.00 32.46 29.84 2wv6 n ARG 63 CO 0.00 0.00 0.00 -1.35 -0.01 0.00 0.00 177.63 176.27 2wv6 h PRO 64 N 0.00 0.60 -0.37 2.89 0.11 -2.06 0.73 132.00 133.90 2wv6 h PRO 64 Ca 0.17 -0.04 -0.16 0.00 0.11 0.00 0.00 66.00 66.09 2wv6 h PRO 64 Cb 0.39 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 31.36 2wv6 h PRO 64 CO -0.82 0.40 -0.37 -0.07 -0.21 0.00 0.00 178.00 176.93 2wv6 h LEU 65 N 0.62 0.98 -0.87 2.35 3.38 -0.81 -1.65 115.31 119.31 2wv6 h LEU 65 Ca 0.61 -0.47 -0.06 0.00 0.09 0.00 0.00 57.88 58.06 2wv6 h LEU 65 Cb 1.10 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.55 2wv6 h LEU 65 CO -0.45 1.24 0.16 -0.33 0.09 0.00 0.00 178.44 179.15 2wv6 h GLU 66 N 0.73 1.00 0.02 1.13 4.39 -0.31 -1.32 114.58 120.22 2wv6 h GLU 66 Ca 0.06 -0.22 -0.00 0.00 0.34 0.00 0.00 59.36 59.54 2wv6 h GLU 66 Cb 0.97 -0.14 0.00 0.00 -0.10 0.00 0.00 28.75 29.48 2wv6 h GLU 66 CO 0.09 0.88 -0.01 -0.09 -1.16 0.00 0.00 179.01 178.73 2wv6 h ARG 67 N 0.96 -0.03 -0.67 2.33 2.43 -0.72 -1.41 114.38 117.27 2wv6 h ARG 67 Ca 0.20 0.00 0.07 0.00 -0.81 0.00 0.00 59.98 59.45 2wv6 h ARG 67 Cb 0.33 0.01 -0.06 0.00 -0.42 0.00 0.00 29.97 29.83 2wv6 h ARG 67 CO -0.00 0.12 0.35 1.98 -1.51 0.00 0.00 179.97 180.92 2wv6 h MET 68 N -0.18 0.62 -0.93 0.20 4.05 -1.07 0.53 114.93 118.15 2wv6 h MET 68 Ca -0.00 -0.04 0.02 0.00 -0.28 0.00 0.00 59.70 59.40 2wv6 h MET 68 Cb 0.17 -0.14 -0.05 0.00 -0.80 0.00 0.00 31.60 30.78 2wv6 h MET 68 CO 0.01 0.41 0.62 0.87 0.23 0.00 0.00 176.91 179.04 2wv6 h LYS 69 N 0.64 1.20 -0.48 0.39 1.57 -1.12 -0.59 116.57 118.18 2wv6 h LYS 69 Ca 0.31 -0.07 -0.10 0.00 -1.87 0.00 0.00 60.65 58.91 2wv6 h LYS 69 Cb 0.24 -0.27 -0.02 0.00 0.08 0.00 0.00 32.23 32.27 2wv6 h LYS 69 CO -0.21 0.80 -0.11 -0.44 -0.57 0.00 0.00 179.45 178.92 2wv6 h ASP 70 N 1.24 0.93 -0.24 0.86 3.32 -0.11 -1.15 116.42 121.27 2wv6 h ASP 70 Ca 0.35 -0.36 -0.00 0.00 0.02 0.00 0.00 57.03 57.04 2wv6 h ASP 70 Cb -0.11 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.18 2wv6 h ASP 70 CO -0.08 1.07 0.14 0.74 -1.72 0.00 0.00 179.24 179.39 2wv6 h THR 71 N 0.78 1.10 -0.41 0.35 2.02 -0.43 -1.35 112.91 114.97 2wv6 h THR 71 Ca 0.12 -0.26 -0.02 0.00 0.77 0.00 0.00 66.41 67.02 2wv6 h THR 71 Cb 0.66 0.85 -0.02 0.00 -1.74 0.00 0.00 68.15 67.90 2wv6 h THR 71 CO 0.05 0.10 0.17 -0.07 0.37 0.00 0.00 175.52 176.13 2wv6 h LEU 72 N 0.28 0.57 -0.28 2.58 3.38 -1.00 0.66 115.31 121.52 2wv6 h LEU 72 Ca 0.08 -0.17 0.01 0.00 0.09 0.00 0.00 57.88 57.90 2wv6 h LEU 72 Cb 0.04 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 2wv6 h LEU 72 CO -0.01 0.58 0.16 -0.09 0.09 0.00 0.00 178.44 179.16 2wv6 h ARG 73 N 0.52 0.31 -0.68 1.13 2.43 -1.17 -0.22 114.38 116.71 2wv6 h ARG 73 Ca 0.14 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.28 2wv6 h ARG 73 Cb 0.19 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.63 2wv6 h ARG 73 CO -0.01 0.21 0.41 0.00 -1.51 0.00 0.00 179.97 179.06 2wv6 h ALA 74 N 1.13 0.87 -0.70 2.80 0.00 -1.02 -1.15 119.26 121.17 2wv6 h ALA 74 Ca 0.11 -0.08 0.07 0.00 0.00 0.00 0.00 54.91 55.00 2wv6 h ALA 74 Cb 0.00 -0.27 -0.06 0.00 0.00 0.00 0.00 17.79 17.46 2wv6 h ALA 74 CO -0.06 0.34 0.39 0.00 0.00 0.00 0.00 179.25 179.93 2wv6 h ALA 75 N 1.21 0.95 0.37 0.00 0.00 -0.63 -1.99 119.26 119.18 2wv6 h ALA 75 Ca 0.24 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.16 2wv6 h ALA 75 Cb -0.03 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 2wv6 h ALA 75 CO -0.05 0.06 -0.20 -0.92 0.00 0.00 0.00 179.25 178.14 2wv6 h TYR 76 N 0.71 -0.53 -0.53 0.00 3.20 -0.49 -0.74 116.97 118.59 2wv6 h TYR 76 Ca 0.32 -0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.20 2wv6 h TYR 76 Cb 0.23 0.18 -0.03 0.00 1.54 0.00 0.00 36.73 38.65 2wv6 h TYR 76 CO -0.08 -0.32 0.35 0.74 -1.64 0.00 0.00 178.16 177.21 2wv6 h PHE 77 N -0.54 0.63 0.00 -3.82 0.04 -1.00 -2.94 116.94 109.32 2wv6 h PHE 77 Ca -0.05 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.74 2wv6 h PHE 77 Cb 0.43 -0.21 0.00 0.00 2.20 0.00 0.00 35.95 38.37 2wv6 h PHE 77 CO -0.07 0.38 -1.09 0.25 -0.60 0.00 0.00 178.31 177.19 2wv6 n THR 78 N -4.46 0.16 -1.33 -1.55 -2.24 -0.77 -4.97 114.28 99.11 2wv6 n THR 78 Ca 0.05 -0.25 -0.04 0.00 -2.27 0.00 0.00 64.05 61.54 2wv6 n THR 78 Cb 0.09 0.23 -0.01 0.00 -2.10 0.00 0.00 70.33 68.54 2wv6 n THR 78 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wv6 n GLY 79 N 1.37 0.57 3.76 3.38 0.00 -0.31 -5.00 105.19 108.97 2wv6 n GLY 79 Ca 0.02 -0.85 -0.41 0.00 0.00 0.00 0.00 46.02 44.77 2wv6 n GLY 79 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wv6 s ILE 80 N -2.16 2.45 0.12 -0.61 -1.09 -1.09 -4.79 121.20 114.04 2wv6 s ILE 80 Ca 0.00 0.42 -0.30 0.00 -2.23 0.00 0.00 60.65 58.54 2wv6 s ILE 80 Cb 0.00 -3.27 -0.06 0.00 -1.58 0.00 0.00 42.46 37.55 2wv6 s ILE 80 CO 0.00 0.09 1.10 -0.54 -1.23 0.00 0.00 174.94 174.36 2wv6 s LYS 81 N -1.26 4.55 -0.26 2.79 -0.14 -1.26 -4.36 119.74 119.80 2wv6 s LYS 81 Ca 0.55 1.67 -0.19 0.00 -1.36 0.00 0.00 55.97 56.64 2wv6 s LYS 81 Cb -0.43 -3.33 -0.02 0.00 -1.68 0.00 0.00 37.83 32.37 2wv6 s LYS 81 CO 0.52 -0.02 0.56 0.08 -0.76 0.00 0.00 175.35 175.72 2wv6 s VAL 82 N 0.31 5.04 -0.13 3.17 1.01 0.74 -4.05 120.40 126.49 2wv6 s VAL 82 Ca 0.52 0.97 -0.12 0.00 0.00 0.00 0.00 61.98 63.35 2wv6 s VAL 82 Cb -0.28 -3.87 -0.11 0.00 0.00 0.00 0.00 36.38 32.13 2wv6 s VAL 82 CO 0.32 0.07 0.26 -1.28 0.00 0.00 0.00 175.10 174.46 2wv6 h SER 83 N 7.96 0.00 -5.01 3.32 0.87 -1.45 0.28 113.55 119.51 2wv6 h SER 83 Ca -0.28 -0.38 -0.16 0.00 -1.23 0.00 0.00 61.79 59.74 2wv6 h SER 83 Cb 1.13 0.00 -0.20 0.00 -0.44 0.00 0.00 62.40 62.89 2wv6 h SER 83 CO 0.74 0.77 -0.67 -0.54 -0.53 0.00 0.00 176.83 176.60 2wv6 s LYS 84 N -1.91 0.37 -0.04 2.24 1.02 -1.04 -1.01 119.74 119.37 2wv6 s LYS 84 Ca -0.10 -0.66 0.06 0.00 0.02 0.00 0.00 55.97 55.29 2wv6 s LYS 84 Cb -0.00 0.13 -0.01 0.00 -0.52 0.00 0.00 37.83 37.43 2wv6 s LYS 84 CO 0.30 -0.07 -0.23 -0.51 -0.92 0.00 0.00 175.35 173.92 2wv6 s LEU 85 N -1.63 2.03 -0.26 3.17 1.43 -0.25 -0.77 118.68 122.40 2wv6 s LEU 85 Ca -0.13 -0.45 -0.12 0.00 -1.03 0.00 0.00 54.13 52.40 2wv6 s LEU 85 Cb -0.08 -1.24 -0.05 0.00 0.03 0.00 0.00 46.19 44.85 2wv6 s LEU 85 CO -0.02 0.25 0.22 0.00 0.23 0.00 0.00 176.35 177.03 2wv6 s VAL 87 N 1.62 1.51 -0.23 0.00 -7.23 -0.20 -0.30 120.40 115.57 2wv6 s VAL 87 Ca 0.09 -1.62 -0.26 0.00 -1.81 0.00 0.00 61.98 58.38 2wv6 s VAL 87 Cb -0.15 -1.51 -0.00 0.00 0.56 0.00 0.00 36.38 35.27 2wv6 s VAL 87 CO 0.09 -0.24 0.89 0.26 -0.31 0.00 0.00 175.10 175.79 2wv6 s TRP 88 N -1.62 3.33 -0.59 2.82 0.51 0.35 -0.83 118.94 122.91 2wv6 s TRP 88 Ca 0.07 1.23 0.13 0.00 -2.12 0.00 0.00 56.10 55.42 2wv6 s TRP 88 Cb -0.08 -3.11 0.69 0.00 -0.81 0.00 0.00 33.47 30.17 2wv6 s TRP 88 CO 0.04 -0.41 1.56 0.27 -0.51 0.00 0.00 176.95 177.90 2wv6 n ASN 89 N 6.04 4.86 -1.36 2.95 0.23 -0.79 -2.54 115.26 124.64 2wv6 n ASN 89 Ca 0.07 -2.69 0.12 0.00 -0.53 0.00 0.00 54.58 51.55 2wv6 n ASN 89 Cb 0.47 -0.63 0.32 0.00 -2.08 0.00 0.00 39.78 37.87 2wv6 n ASN 89 CO 0.00 0.00 0.00 -0.46 -0.93 0.00 0.00 177.26 175.87 2wv6 n ASN 90 N 0.66 3.96 -4.26 0.53 2.04 -1.26 -4.91 115.26 112.03 2wv6 n ASN 90 Ca 0.24 -2.03 -0.20 0.00 -0.44 0.00 0.00 54.58 52.15 2wv6 n ASN 90 Cb 1.00 -0.49 -0.11 0.00 -2.53 0.00 0.00 39.78 37.64 2wv6 n ASN 90 CO 0.00 0.00 0.00 -0.54 -0.44 0.00 0.00 177.26 176.28 2wv6 s LYS 91 N -1.07 1.06 -0.08 -3.83 -0.14 -1.25 -5.10 119.74 109.33 2wv6 s LYS 91 Ca 0.49 -1.22 0.02 0.00 -1.36 0.00 0.00 55.97 53.90 2wv6 s LYS 91 Cb 0.26 -1.04 0.01 0.00 -1.68 0.00 0.00 37.83 35.38 2wv6 s LYS 91 CO 0.33 0.21 -0.12 0.99 -0.76 0.00 0.00 175.35 176.00 2wv6 s THR 92 N -1.87 1.16 1.00 2.17 2.01 -1.26 -2.90 115.64 115.95 2wv6 s THR 92 Ca 0.08 -0.47 -0.13 0.00 0.31 0.00 0.00 61.69 61.48 2wv6 s THR 92 Cb -0.06 -1.08 0.11 0.00 0.01 0.00 0.00 72.50 71.47 2wv6 s THR 92 CO 0.04 0.37 0.58 -2.65 -0.69 0.00 0.00 174.62 172.26 2wv6 n PRO 93 N 4.02 -0.85 -1.76 4.92 -0.02 -1.26 -5.05 135.00 135.00 2wv6 n PRO 93 Ca -0.21 -0.21 -0.40 0.00 -2.02 0.00 0.00 63.50 60.66 2wv6 n PRO 93 Cb 0.51 -1.99 0.01 0.00 -0.02 0.00 0.00 33.50 32.02 2wv6 n PRO 93 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2wv6 n ASN 94 N -2.52 3.32 -4.82 2.55 5.03 -1.14 -4.58 115.26 113.10 2wv6 n ASN 94 Ca 0.06 1.14 -0.37 0.00 0.87 0.00 0.00 54.58 56.28 2wv6 n ASN 94 Cb 0.55 -1.59 -0.06 0.00 -1.02 0.00 0.00 39.78 37.65 2wv6 n ASN 94 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 2wv6 s SER 95 N -0.41 6.57 -0.18 6.41 0.15 -1.05 -1.16 113.70 124.03 2wv6 s SER 95 Ca 0.60 0.68 -0.24 0.00 0.70 0.00 0.00 55.95 57.69 2wv6 s SER 95 Cb -0.46 -2.18 -0.02 0.00 -1.71 0.00 0.00 66.02 61.66 2wv6 s SER 95 CO 0.59 0.29 0.77 -0.63 1.20 0.00 0.00 173.24 175.45 2wv6 s ILE 96 N -0.62 4.92 -0.19 6.45 1.01 -0.61 -0.50 121.20 131.66 2wv6 s ILE 96 Ca 0.19 1.49 0.10 0.00 0.00 0.00 0.00 60.65 62.42 2wv6 s ILE 96 Cb -0.14 -4.08 -0.22 0.00 0.01 0.00 0.00 42.46 38.03 2wv6 s ILE 96 CO 0.08 0.04 0.09 0.00 0.00 0.00 0.00 174.94 175.15 2wv6 n ALA 97 N 5.24 1.42 -3.30 9.38 0.00 0.59 -4.80 120.51 129.03 2wv6 n ALA 97 Ca 0.03 -1.11 -0.14 0.00 0.00 0.00 0.00 53.44 52.22 2wv6 n ALA 97 Cb 0.49 -0.30 -0.06 0.00 0.00 0.00 0.00 19.45 19.58 2wv6 n ALA 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wv6 s ALA 98 N -2.52 -1.28 0.02 0.00 0.00 -0.84 -4.98 121.76 112.16 2wv6 s ALA 98 Ca -0.18 0.62 0.03 0.00 0.00 0.00 0.00 51.96 52.43 2wv6 s ALA 98 Cb 0.07 0.29 -0.01 0.00 0.00 0.00 0.00 23.12 23.47 2wv6 s ALA 98 CO 0.75 -0.45 -0.10 -1.50 0.00 0.00 0.00 175.76 174.46 2wv6 s ILE 99 N -2.15 0.75 -0.11 0.00 2.07 -1.26 -0.94 121.20 119.54 2wv6 s ILE 99 Ca -0.07 -0.68 0.03 0.00 -1.41 0.00 0.00 60.65 58.52 2wv6 s ILE 99 Cb -0.01 -0.68 0.01 0.00 0.13 0.00 0.00 42.46 41.91 2wv6 s ILE 99 CO 0.00 0.01 -0.20 -0.70 -1.91 0.00 0.00 174.94 172.15 2wv6 s GLU 100 N -0.75 2.68 -0.15 3.50 2.12 0.05 -5.00 118.70 121.16 2wv6 s GLU 100 Ca -0.00 -0.74 -0.04 0.00 0.36 0.00 0.00 54.97 54.56 2wv6 s GLU 100 Cb -0.06 -2.16 -0.03 0.00 0.26 0.00 0.00 34.13 32.15 2wv6 s GLU 100 CO 0.00 0.02 -0.03 -0.51 -0.54 0.00 0.00 175.26 174.20 2wv6 s LEU 101 N 0.74 3.28 0.00 2.70 1.43 -1.26 -1.40 118.68 124.17 2wv6 s LEU 101 Ca -0.10 -0.11 0.00 0.00 -1.03 0.00 0.00 54.13 52.89 2wv6 s LEU 101 Cb -0.16 -1.79 0.00 0.00 0.03 0.00 0.00 46.19 44.27 2wv6 s LEU 101 CO 0.01 0.19 0.00 -0.24 0.23 0.00 0.00 176.35 176.54