#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 1.74 0.00 0.00 -0.02 -1.26 -4.92 135.00 130.54 2wv6 n PRO 2 Ca 0.00 0.61 0.00 0.00 -2.02 0.00 0.00 63.50 62.09 2wv6 n PRO 2 Cb 0.00 -2.18 0.00 0.00 -0.02 0.00 0.00 33.50 31.30 2wv6 n PRO 2 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2wv6 n GLN 3 N 0.36 1.38 -3.96 -0.52 10.64 -1.26 -4.92 117.38 119.11 2wv6 n GLN 3 Ca 0.07 -0.96 -0.10 0.00 -1.83 0.00 0.00 57.00 54.18 2wv6 n GLN 3 Cb 0.37 -0.81 -0.06 0.00 -0.86 0.00 0.00 30.24 28.88 2wv6 n GLN 3 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.06 175.77 2wv6 s ASN 4 N -0.50 -0.02 0.39 2.61 2.20 -1.26 -5.05 114.94 113.31 2wv6 s ASN 4 Ca 0.00 -0.88 0.07 0.00 -0.94 0.00 0.00 52.86 51.11 2wv6 s ASN 4 Cb 0.00 0.48 0.81 0.00 -2.00 0.00 0.00 41.25 40.54 2wv6 s ASN 4 CO 0.00 -0.97 2.01 -0.29 -2.94 0.00 0.00 177.10 174.91 2wv6 h ILE 5 N 2.44 1.13 -0.36 0.54 2.10 -1.97 -1.24 117.51 120.15 2wv6 h ILE 5 Ca -0.30 -0.37 -0.00 0.00 1.08 0.00 0.00 64.86 65.27 2wv6 h ILE 5 Cb 1.24 0.67 -0.02 0.00 -1.09 0.00 0.00 36.82 37.62 2wv6 h ILE 5 CO 0.44 0.15 0.22 0.74 -1.08 0.00 0.00 178.15 178.62 2wv6 h THR 6 N 0.51 1.12 -0.54 2.19 2.02 -1.99 0.96 112.91 117.18 2wv6 h THR 6 Ca 0.13 -0.28 -0.11 0.00 0.77 0.00 0.00 66.41 66.92 2wv6 h THR 6 Cb 0.06 0.66 -0.02 0.00 -1.74 0.00 0.00 68.15 67.11 2wv6 h THR 6 CO -0.02 0.12 -0.10 -0.33 0.37 0.00 0.00 175.52 175.56 2wv6 h GLU 7 N 0.47 1.01 -0.63 6.66 5.08 -1.85 -2.78 114.58 122.53 2wv6 h GLU 7 Ca 0.13 -0.36 -0.06 0.00 -1.00 0.00 0.00 59.36 58.07 2wv6 h GLU 7 Cb 0.01 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.16 2wv6 h GLU 7 CO -0.02 1.04 0.17 -0.07 -1.00 0.00 0.00 179.01 179.13 2wv6 h LEU 8 N 0.90 0.94 -1.42 1.33 3.38 -1.09 -3.07 115.31 116.28 2wv6 h LEU 8 Ca 0.14 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 2wv6 h LEU 8 Cb 0.66 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 2wv6 h LEU 8 CO 0.05 0.92 0.24 0.00 0.09 0.00 0.00 178.44 179.73 2wv6 h SER 10 N 0.64 0.00 1.31 0.00 4.64 -1.40 -2.64 113.55 116.10 2wv6 h SER 10 Ca 0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 2wv6 h SER 10 Cb 0.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 2wv6 h SER 10 CO -0.03 0.00 -0.39 -0.33 -0.87 0.00 0.00 176.83 175.21 2wv6 h GLU 11 N 0.00 0.00 -7.15 4.77 5.08 -1.40 -3.46 114.58 112.42 2wv6 h GLU 11 Ca 0.00 0.00 -0.47 0.00 -1.00 0.00 0.00 59.36 57.89 2wv6 h GLU 11 Cb 0.31 0.00 0.06 0.00 0.50 0.00 0.00 28.75 29.62 2wv6 h GLU 11 CO 0.00 0.00 0.19 0.71 -1.00 0.00 0.00 179.01 178.91 2wv6 s TYR 12 N -3.20 3.21 -0.16 4.33 1.51 -1.00 -5.07 117.35 116.98 2wv6 s TYR 12 Ca 0.06 0.63 -0.16 0.00 -1.01 0.00 0.00 57.07 56.59 2wv6 s TYR 12 Cb 0.10 -2.81 -0.04 0.00 -0.11 0.00 0.00 41.96 39.10 2wv6 s TYR 12 CO 0.69 -0.91 0.40 -1.01 -1.11 0.00 0.00 175.55 173.61 2wv6 s HIS 13 N -3.04 3.45 -0.89 2.71 3.76 -1.26 -4.53 115.29 115.49 2wv6 s HIS 13 Ca 0.55 0.72 -0.05 0.00 -0.15 0.00 0.00 55.06 56.13 2wv6 s HIS 13 Cb -0.11 -2.49 0.01 0.00 1.11 0.00 0.00 32.58 31.10 2wv6 s HIS 13 CO 0.45 0.13 0.78 0.09 -0.85 0.00 0.00 174.74 175.34 2wv6 n ASN 14 N 3.90 -4.44 -4.49 1.40 3.02 -1.26 -4.98 115.26 108.42 2wv6 n ASN 14 Ca -0.09 -0.37 -0.24 0.00 -0.03 0.00 0.00 54.58 53.85 2wv6 n ASN 14 Cb 0.51 -3.56 -0.10 0.00 -0.61 0.00 0.00 39.78 36.03 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 -3.22 2.60 0.01 3.41 -4.23 -1.26 -3.09 115.64 109.86 2wv6 s THR 15 Ca 0.33 -2.33 -0.05 0.00 -1.18 0.00 0.00 61.69 58.46 2wv6 s THR 15 Cb -0.14 -2.37 -0.01 0.00 1.34 0.00 0.00 72.50 71.32 2wv6 s THR 15 CO 0.49 -0.39 0.07 -1.58 -0.54 0.00 0.00 174.62 172.68 2wv6 s GLN 16 N -3.50 0.44 -0.07 3.99 0.74 -0.16 -4.94 119.66 116.15 2wv6 s GLN 16 Ca 0.30 -0.52 -0.30 0.00 0.05 0.00 0.00 55.36 54.90 2wv6 s GLN 16 Cb -0.05 0.17 -0.03 0.00 1.10 0.00 0.00 33.01 34.20 2wv6 s GLN 16 CO 0.15 -0.10 1.22 0.42 -0.55 0.00 0.00 175.29 176.44 2wv6 s ILE 17 N -1.56 4.23 -0.22 -2.34 -1.09 -1.26 -1.18 121.20 117.78 2wv6 s ILE 17 Ca -0.14 1.55 -0.04 0.00 -2.23 0.00 0.00 60.65 59.78 2wv6 s ILE 17 Cb -0.08 -4.00 -0.01 0.00 -1.58 0.00 0.00 42.46 36.80 2wv6 s ILE 17 CO 0.00 -0.03 -0.03 -0.31 -1.23 0.00 0.00 174.94 173.35 2wv6 s TYR 18 N 2.47 2.98 -0.16 3.97 1.51 0.37 -4.99 117.35 123.50 2wv6 s TYR 18 Ca 0.56 -0.82 -0.08 0.00 -1.01 0.00 0.00 57.07 55.72 2wv6 s TYR 18 Cb -0.24 -2.11 -0.04 0.00 -0.11 0.00 0.00 41.96 39.45 2wv6 s TYR 18 CO 0.21 -0.49 0.12 -2.00 -1.11 0.00 0.00 175.55 172.29 2wv6 s GLU 19 N 1.42 3.80 0.00 -0.62 2.12 -1.26 -0.29 118.70 123.87 2wv6 s GLU 19 Ca 0.05 -0.20 0.00 0.00 0.36 0.00 0.00 54.97 55.18 2wv6 s GLU 19 Cb -0.14 -3.28 0.00 0.00 0.26 0.00 0.00 34.13 30.97 2wv6 s GLU 19 CO -0.02 0.52 0.00 1.28 -0.54 0.00 0.00 175.26 176.51 2wv6 n LEU 20 N 2.79 0.01 -3.79 2.70 4.77 0.76 -4.99 117.00 119.25 2wv6 n LEU 20 Ca -0.18 0.01 -0.25 0.00 -0.03 0.00 0.00 56.01 55.56 2wv6 n LEU 20 Cb 0.53 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.65 2wv6 n LEU 20 CO 0.34 -0.24 0.00 0.59 -1.33 0.00 0.00 177.39 176.75 2wv6 n ASN 21 N -2.79 -2.68 -4.18 -1.43 3.02 0.27 -5.00 115.26 102.48 2wv6 n ASN 21 Ca 0.00 -0.80 -0.19 0.00 -0.03 0.00 0.00 54.58 53.55 2wv6 n ASN 21 Cb 0.27 -3.99 -0.12 0.00 -0.61 0.00 0.00 39.78 35.33 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 -6.25 0.89 0.30 3.52 1.02 -1.00 -4.89 119.74 113.33 2wv6 s LYS 22 Ca 0.27 -0.94 -0.19 0.00 0.02 0.00 0.00 55.97 55.13 2wv6 s LYS 22 Cb -0.14 -0.93 -0.09 0.00 -0.52 0.00 0.00 37.83 36.15 2wv6 s LYS 22 CO 0.82 0.21 0.80 -1.83 -0.92 0.00 0.00 175.35 174.43 2wv6 s GLU 23 N -1.63 4.22 0.18 1.68 -1.05 -1.26 -1.00 118.70 119.84 2wv6 s GLU 23 Ca -0.00 0.92 -0.31 0.00 -0.15 0.00 0.00 54.97 55.43 2wv6 s GLU 23 Cb -0.10 -2.61 -0.10 0.00 -0.44 0.00 0.00 34.13 30.88 2wv6 s GLU 23 CO 0.02 0.23 1.57 0.42 0.95 0.00 0.00 175.26 178.45 2wv6 s ILE 24 N -1.79 2.58 -0.14 1.83 1.01 -1.26 -4.63 121.20 118.80 2wv6 s ILE 24 Ca 0.51 0.42 0.06 0.00 0.00 0.00 0.00 60.65 61.64 2wv6 s ILE 24 Cb -0.14 -3.27 -0.23 0.00 0.01 0.00 0.00 42.46 38.83 2wv6 s ILE 24 CO 0.19 0.04 0.30 0.29 0.00 0.00 0.00 174.94 175.76 2wv6 n LYS 25 N 3.80 0.69 -4.00 2.79 4.76 0.87 -4.91 118.16 122.15 2wv6 n LYS 25 Ca 0.13 0.20 -0.15 0.00 -2.87 0.00 0.00 58.31 55.62 2wv6 n LYS 25 Cb 0.38 -1.67 -0.15 0.00 -1.84 0.00 0.00 35.03 31.76 2wv6 n LYS 25 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 2wv6 s THR 26 N -2.55 0.22 -0.12 -0.18 2.01 -0.91 -5.00 115.64 109.11 2wv6 s THR 26 Ca -0.16 -0.06 0.01 0.00 0.31 0.00 0.00 61.69 61.79 2wv6 s THR 26 Cb 0.07 -0.23 0.02 0.00 0.01 0.00 0.00 72.50 72.37 2wv6 s THR 26 CO 0.77 0.09 -0.14 -0.47 -0.69 0.00 0.00 174.62 174.18 2wv6 s TYR 27 N 0.30 2.01 -0.05 4.92 5.04 -1.26 -1.00 117.35 127.31 2wv6 s TYR 27 Ca -0.03 -1.02 0.04 0.00 -2.44 0.00 0.00 57.07 53.62 2wv6 s TYR 27 Cb -0.05 -1.47 -0.00 0.00 0.35 0.00 0.00 41.96 40.78 2wv6 s TYR 27 CO -0.01 -0.55 -0.16 0.99 -1.34 0.00 0.00 175.55 174.49 2wv6 s THR 28 N 1.21 1.35 -0.04 4.34 2.01 0.13 -5.00 115.64 119.65 2wv6 s THR 28 Ca -0.02 -0.66 0.01 0.00 0.31 0.00 0.00 61.69 61.33 2wv6 s THR 28 Cb -0.14 -1.18 0.02 0.00 0.01 0.00 0.00 72.50 71.22 2wv6 s THR 28 CO -0.05 0.39 -0.04 -0.70 -0.69 0.00 0.00 174.62 173.53 2wv6 s GLU 29 N 0.15 0.75 -0.02 4.92 2.12 -1.26 -0.88 118.70 124.48 2wv6 s GLU 29 Ca -0.06 -0.08 0.05 0.00 0.36 0.00 0.00 54.97 55.24 2wv6 s GLU 29 Cb -0.12 -0.79 -0.01 0.00 0.26 0.00 0.00 34.13 33.47 2wv6 s GLU 29 CO 0.02 -0.09 -0.17 0.45 -0.54 0.00 0.00 175.26 174.94 2wv6 s SER 30 N 0.92 2.04 0.00 -1.70 0.15 0.11 -5.00 113.70 110.22 2wv6 s SER 30 Ca -0.11 -0.32 0.07 0.00 0.70 0.00 0.00 55.95 56.29 2wv6 s SER 30 Cb -0.14 -0.29 0.17 0.00 -1.71 0.00 0.00 66.02 64.05 2wv6 s SER 30 CO -0.00 0.20 1.10 0.00 1.20 0.00 0.00 173.24 175.74 2wv6 n LEU 31 N 2.75 2.45 0.26 3.45 -0.00 -1.26 -2.52 117.00 122.13 2wv6 n LEU 31 Ca -0.15 -1.87 0.13 0.00 -0.00 0.00 0.00 56.01 54.12 2wv6 n LEU 31 Cb 0.54 -0.13 0.66 0.00 -0.00 0.00 0.00 43.42 44.49 2wv6 n LEU 31 CO 0.24 0.60 0.93 0.00 -0.00 0.00 0.00 177.39 179.17 2wv6 h ALA 32 N 1.27 1.10 0.00 1.47 0.00 -2.07 -3.56 119.26 117.48 2wv6 h ALA 32 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2wv6 h ALA 32 Cb 0.60 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.37 2wv6 h ALA 32 CO 0.00 0.15 0.00 -0.12 0.00 0.00 0.00 179.25 179.28 2wv6 n MET 37 N -3.39 0.00 -4.67 0.00 0.00 -1.05 -5.36 117.12 102.66 2wv6 n MET 37 Ca -0.01 0.00 -0.25 0.00 0.00 0.00 0.00 57.70 57.44 2wv6 n MET 37 Cb 0.31 0.00 -0.17 0.00 0.00 0.00 0.00 33.22 33.36 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 -0.47 1.25 -0.06 1.12 1.01 -1.26 -0.71 120.40 121.27 2wv6 s VAL 38 Ca 0.00 -0.55 0.02 0.00 0.00 0.00 0.00 61.98 61.45 2wv6 s VAL 38 Cb 0.00 -1.13 0.01 0.00 0.00 0.00 0.00 36.38 35.27 2wv6 s VAL 38 CO 0.00 0.38 -0.11 -0.63 0.00 0.00 0.00 175.10 174.74 2wv6 s ILE 39 N 0.60 1.03 0.01 2.22 1.01 -0.06 -1.41 121.20 124.60 2wv6 s ILE 39 Ca -0.15 -0.42 0.08 0.00 0.00 0.00 0.00 60.65 60.16 2wv6 s ILE 39 Cb -0.16 -0.96 -0.03 0.00 0.01 0.00 0.00 42.46 41.33 2wv6 s ILE 39 CO 0.04 0.33 -0.24 0.27 0.00 0.00 0.00 174.94 175.35 2wv6 s ILE 40 N 0.69 2.29 0.11 2.92 -4.36 0.12 -0.69 121.20 122.28 2wv6 s ILE 40 Ca -0.14 -1.18 0.06 0.00 -0.26 0.00 0.00 60.65 59.13 2wv6 s ILE 40 Cb -0.16 -1.87 -0.03 0.00 1.25 0.00 0.00 42.46 41.65 2wv6 s ILE 40 CO 0.03 0.47 -0.14 -0.44 0.24 0.00 0.00 174.94 175.10 2wv6 s SER 41 N -0.96 1.91 0.39 4.36 0.01 -0.17 -1.00 113.70 118.24 2wv6 s SER 41 Ca 0.11 -0.75 0.08 0.00 1.31 0.00 0.00 55.95 56.70 2wv6 s SER 41 Cb -0.10 -0.06 -0.06 0.00 0.21 0.00 0.00 66.02 66.00 2wv6 s SER 41 CO 0.01 -0.12 0.06 -0.36 0.41 0.00 0.00 173.24 173.24 2wv6 s PHE 42 N -1.86 2.55 0.55 2.43 0.40 -0.42 -0.09 117.98 121.53 2wv6 s PHE 42 Ca 0.06 -0.57 0.31 0.00 -0.60 0.00 0.00 56.93 56.13 2wv6 s PHE 42 Cb -0.06 -1.74 1.79 0.00 0.51 0.00 0.00 43.02 43.52 2wv6 s PHE 42 CO 0.03 0.37 2.22 0.00 0.70 0.00 0.00 175.22 178.54 2wv6 h ALA 43 N 1.68 1.40 -0.04 5.36 0.00 -1.89 -0.58 119.26 125.19 2wv6 h ALA 43 Ca -0.43 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.45 2wv6 h ALA 43 Cb 1.25 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.03 2wv6 h ALA 43 CO 0.73 0.04 0.00 0.27 0.00 0.00 0.00 179.25 180.29 2wv6 n ASN 44 N -3.70 0.91 0.00 0.00 6.94 -1.26 -4.91 115.26 113.24 2wv6 n ASN 44 Ca -0.03 -1.40 0.00 0.00 -0.02 0.00 0.00 54.58 53.14 2wv6 n ASN 44 Cb 0.12 -0.02 0.00 0.00 -2.36 0.00 0.00 39.78 37.52 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 1.06 0.89 3.74 4.83 0.00 -0.23 -5.03 105.19 110.45 2wv6 n GLY 45 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.40 3.80 -0.03 4.61 0.00 -1.26 -4.77 121.76 121.72 2wv6 s ALA 46 Ca 0.00 1.56 0.02 0.00 0.00 0.00 0.00 51.96 53.54 2wv6 s ALA 46 Cb 0.00 -3.66 0.01 0.00 0.00 0.00 0.00 23.12 19.47 2wv6 s ALA 46 CO 0.00 -0.95 -0.09 0.99 0.00 0.00 0.00 175.76 175.71 2wv6 s THR 47 N 0.42 0.82 0.09 0.00 2.01 -1.26 -1.31 115.64 116.41 2wv6 s THR 47 Ca 0.67 -0.36 0.04 0.00 0.31 0.00 0.00 61.69 62.34 2wv6 s THR 47 Cb -0.48 -0.74 -0.03 0.00 0.01 0.00 0.00 72.50 71.25 2wv6 s THR 47 CO 0.42 0.26 -0.10 -0.36 -0.69 0.00 0.00 174.62 174.15 2wv6 s PHE 48 N 0.32 1.02 0.28 4.92 0.08 -0.17 -3.99 117.98 120.45 2wv6 s PHE 48 Ca -0.05 -0.62 0.07 0.00 0.12 0.00 0.00 56.93 56.44 2wv6 s PHE 48 Cb -0.10 -0.57 -0.06 0.00 -0.57 0.00 0.00 43.02 41.72 2wv6 s PHE 48 CO 0.01 -0.01 -0.06 1.14 -0.10 0.00 0.00 175.22 176.20 2wv6 s GLN 49 N -2.56 1.57 -0.37 0.44 -2.07 -0.05 -0.70 119.66 115.93 2wv6 s GLN 49 Ca 0.03 -1.80 -0.10 0.00 -1.82 0.00 0.00 55.36 51.67 2wv6 s GLN 49 Cb -0.04 -1.19 0.03 0.00 -1.09 0.00 0.00 33.01 30.72 2wv6 s GLN 49 CO 0.00 0.04 0.18 0.08 -1.32 0.00 0.00 175.29 174.28 2wv6 s VAL 50 N -2.98 4.35 -0.29 3.63 1.01 -0.50 -1.14 120.40 124.48 2wv6 s VAL 50 Ca 0.30 -0.97 -0.18 0.00 0.00 0.00 0.00 61.98 61.13 2wv6 s VAL 50 Cb 0.04 -3.46 0.16 0.00 0.00 0.00 0.00 36.38 33.12 2wv6 s VAL 50 CO 0.12 -0.24 1.07 -1.61 0.00 0.00 0.00 175.10 174.44 2wv6 s GLU 51 N 1.51 0.32 0.00 2.72 2.02 -1.26 -4.33 118.70 119.68 2wv6 s GLU 51 Ca 0.01 0.51 0.00 0.00 0.02 0.00 0.00 54.97 55.51 2wv6 s GLU 51 Cb -0.19 0.09 0.00 0.00 0.10 0.00 0.00 34.13 34.13 2wv6 s GLU 51 CO 0.05 -0.06 0.00 1.28 0.02 0.00 0.00 175.26 176.56 2wv6 n LEU 58 N 3.16 -1.36 -0.29 1.80 4.77 -1.26 -4.72 117.00 119.11 2wv6 n LEU 58 Ca -0.17 0.00 0.17 0.00 -0.03 0.00 0.00 56.01 55.98 2wv6 n LEU 58 Cb 0.57 -0.61 0.44 0.00 -2.33 0.00 0.00 43.42 41.49 2wv6 n LEU 58 CO 0.03 0.00 1.22 -0.08 -1.33 0.00 0.00 177.39 177.22 2wv6 h GLU 59 N 0.00 0.53 0.00 3.23 4.81 -2.09 -2.09 114.58 118.97 2wv6 h GLU 59 Ca 0.00 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.19 2wv6 h GLU 59 Cb 0.00 -0.12 -0.00 0.00 0.63 0.00 0.00 28.75 29.26 2wv6 h GLU 59 CO 0.00 0.35 -0.05 0.66 -0.73 0.00 0.00 179.01 179.24 2wv6 h SER 60 N 0.54 0.00 0.55 1.04 4.64 -2.08 -2.57 113.55 115.67 2wv6 h SER 60 Ca 0.51 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.83 2wv6 h SER 60 Cb 1.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.17 2wv6 h SER 60 CO -0.25 0.05 -0.54 0.00 -0.87 0.00 0.00 176.83 175.22 2wv6 n GLN 61 N -3.26 0.05 0.16 4.77 6.02 -0.78 -4.53 117.38 119.82 2wv6 n GLN 61 Ca -0.01 0.01 -0.07 0.00 -0.01 0.00 0.00 57.00 56.92 2wv6 n GLN 61 Cb 0.23 -1.53 -0.03 0.00 1.02 0.00 0.00 30.24 29.93 2wv6 n GLN 61 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 177.06 175.83 2wv6 h LYS 62 N 0.00 -0.42 -0.02 -1.09 3.64 -1.54 -2.28 116.57 114.87 2wv6 h LYS 62 Ca 0.00 0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.41 2wv6 h LYS 62 Cb 0.54 0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 32.46 2wv6 h LYS 62 CO 0.00 -0.28 0.00 -0.09 -2.27 0.00 0.00 179.45 176.82 2wv6 h ARG 63 N -0.43 0.02 -0.33 1.90 9.65 -1.80 -2.45 114.38 120.95 2wv6 h ARG 63 Ca -0.04 -0.01 0.03 0.00 -1.10 0.00 0.00 59.98 58.87 2wv6 h ARG 63 Cb 0.34 -0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 28.88 2wv6 h ARG 63 CO 0.06 0.23 0.12 -1.35 2.80 0.00 0.00 179.97 181.83 2wv6 h PRO 64 N -0.19 0.26 -0.96 0.20 0.11 -1.79 -0.98 132.00 128.65 2wv6 h PRO 64 Ca 0.00 -0.02 0.08 0.00 0.11 0.00 0.00 66.00 66.18 2wv6 h PRO 64 Cb 0.22 -0.06 -0.07 0.00 0.11 0.00 0.00 31.00 31.20 2wv6 h PRO 64 CO -0.00 0.17 0.61 -0.07 -0.21 0.00 0.00 178.00 178.50 2wv6 h LEU 65 N 0.27 0.95 -0.42 2.35 3.38 -1.45 -1.64 115.31 118.74 2wv6 h LEU 65 Ca 0.14 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.14 2wv6 h LEU 65 Cb 0.11 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 2wv6 h LEU 65 CO -0.14 0.58 0.27 -0.33 0.09 0.00 0.00 178.44 178.91 2wv6 h GLU 66 N 1.07 0.54 -0.28 1.13 4.39 -0.84 -1.24 114.58 119.35 2wv6 h GLU 66 Ca 0.43 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 60.08 2wv6 h GLU 66 Cb 0.24 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 28.75 2wv6 h GLU 66 CO -0.20 0.36 0.13 -0.09 -1.16 0.00 0.00 179.01 178.05 2wv6 h ARG 67 N 0.56 0.41 -0.44 2.33 2.43 -0.78 -1.22 114.38 117.67 2wv6 h ARG 67 Ca 0.15 -0.07 0.01 0.00 -0.81 0.00 0.00 59.98 59.26 2wv6 h ARG 67 Cb -0.06 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.39 2wv6 h ARG 67 CO -0.04 0.41 0.29 1.98 -1.51 0.00 0.00 179.97 181.11 2wv6 h MET 68 N 0.32 0.58 -0.61 0.20 4.05 -1.16 -0.52 114.93 117.79 2wv6 h MET 68 Ca 0.10 -0.03 -0.06 0.00 -0.28 0.00 0.00 59.70 59.42 2wv6 h MET 68 Cb 0.14 -0.13 -0.03 0.00 -0.80 0.00 0.00 31.60 30.79 2wv6 h MET 68 CO -0.01 0.38 0.15 0.87 0.23 0.00 0.00 176.91 178.53 2wv6 h LYS 69 N 0.59 0.94 -0.29 0.39 1.57 -1.07 -1.20 116.57 117.51 2wv6 h LYS 69 Ca 0.16 -0.20 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 2wv6 h LYS 69 Cb -0.06 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.10 2wv6 h LYS 69 CO -0.04 0.84 0.19 -0.44 -0.57 0.00 0.00 179.45 179.43 2wv6 h ASP 70 N 0.90 0.32 -0.46 0.86 3.32 -0.68 -1.53 116.42 119.16 2wv6 h ASP 70 Ca 0.19 -0.01 0.03 0.00 0.02 0.00 0.00 57.03 57.26 2wv6 h ASP 70 Cb 0.32 -0.08 -0.03 0.00 0.22 0.00 0.00 39.33 39.76 2wv6 h ASP 70 CO -0.00 0.23 0.26 0.74 -1.72 0.00 0.00 179.24 178.75 2wv6 h THR 71 N 0.38 1.02 -0.50 0.35 2.02 -0.82 -0.93 112.91 114.43 2wv6 h THR 71 Ca 0.11 -0.18 -0.09 0.00 0.77 0.00 0.00 66.41 67.02 2wv6 h THR 71 Cb -0.04 0.46 -0.02 0.00 -1.74 0.00 0.00 68.15 66.81 2wv6 h THR 71 CO -0.03 0.09 -0.05 -0.07 0.37 0.00 0.00 175.52 175.83 2wv6 h LEU 72 N 0.51 0.86 -0.47 2.58 3.38 -1.07 -0.76 115.31 120.34 2wv6 h LEU 72 Ca 0.19 -0.24 -0.05 0.00 0.09 0.00 0.00 57.88 57.86 2wv6 h LEU 72 Cb 0.05 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 2wv6 h LEU 72 CO -0.10 0.95 0.08 -0.09 0.09 0.00 0.00 178.44 179.37 2wv6 h ARG 73 N 0.80 0.77 -0.86 1.13 2.43 -1.07 -1.75 114.38 115.83 2wv6 h ARG 73 Ca 0.14 -0.20 -0.01 0.00 -0.81 0.00 0.00 59.98 59.10 2wv6 h ARG 73 Cb 0.55 -0.09 -0.04 0.00 -0.42 0.00 0.00 29.97 29.97 2wv6 h ARG 73 CO 0.03 0.78 0.51 0.00 -1.51 0.00 0.00 179.97 179.79 2wv6 h ALA 74 N 0.96 1.10 -0.77 2.80 0.00 -1.00 -1.23 119.26 121.12 2wv6 h ALA 74 Ca 0.14 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 2wv6 h ALA 74 Cb 0.38 -0.35 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 2wv6 h ALA 74 CO 0.01 0.56 0.39 0.00 0.00 0.00 0.00 179.25 180.21 2wv6 h ALA 75 N 1.28 0.99 0.41 0.00 0.00 -0.87 -1.55 119.26 119.52 2wv6 h ALA 75 Ca 0.31 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 2wv6 h ALA 75 Cb -0.04 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.45 2wv6 h ALA 75 CO -0.06 0.54 -0.20 -0.92 0.00 0.00 0.00 179.25 178.62 2wv6 h TYR 76 N 1.08 -0.51 -0.94 0.00 3.20 -0.91 -1.52 116.97 117.37 2wv6 h TYR 76 Ca 0.27 -0.01 0.05 0.00 3.14 0.00 0.00 58.73 62.18 2wv6 h TYR 76 Cb 0.09 0.17 -0.06 0.00 1.54 0.00 0.00 36.73 38.47 2wv6 h TYR 76 CO 0.01 -0.28 0.62 0.74 -1.64 0.00 0.00 178.16 177.60 2wv6 h PHE 77 N -0.60 1.13 0.00 -3.82 0.04 -1.05 -2.87 116.94 109.76 2wv6 h PHE 77 Ca -0.06 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.74 2wv6 h PHE 77 Cb 0.45 -0.37 0.00 0.00 2.20 0.00 0.00 35.95 38.23 2wv6 h PHE 77 CO -0.03 0.62 -0.57 0.25 -0.60 0.00 0.00 178.31 177.98 2wv6 n THR 78 N -4.47 0.26 -1.04 -1.55 -2.24 -0.60 -4.94 114.28 99.70 2wv6 n THR 78 Ca 0.14 -0.20 -0.01 0.00 -2.27 0.00 0.00 64.05 61.70 2wv6 n THR 78 Cb 0.15 -0.07 -0.01 0.00 -2.10 0.00 0.00 70.33 68.31 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 1.38 0.51 3.71 3.38 0.00 -0.61 -5.01 105.19 108.55 2wv6 n GLY 79 Ca 0.04 -0.54 -0.42 0.00 0.00 0.00 0.00 46.02 45.10 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 -2.00 4.34 0.32 -0.61 -1.09 -0.96 -4.83 121.20 116.36 2wv6 s ILE 80 Ca 0.00 1.67 -0.28 0.00 -2.23 0.00 0.00 60.65 59.81 2wv6 s ILE 80 Cb 0.00 -4.07 -0.10 0.00 -1.58 0.00 0.00 42.46 36.71 2wv6 s ILE 80 CO 0.00 0.12 1.18 -0.54 -1.23 0.00 0.00 174.94 174.47 2wv6 s LYS 81 N 1.13 4.45 -0.14 2.79 1.02 -1.26 -4.53 119.74 123.19 2wv6 s LYS 81 Ca 0.56 1.95 -0.23 0.00 0.02 0.00 0.00 55.97 58.28 2wv6 s LYS 81 Cb -0.26 -3.06 -0.03 0.00 -0.52 0.00 0.00 37.83 33.96 2wv6 s LYS 81 CO 0.28 -0.01 0.70 0.08 -0.92 0.00 0.00 175.35 175.48 2wv6 s VAL 82 N -1.20 5.00 -0.12 3.17 1.01 -0.17 -4.32 120.40 123.77 2wv6 s VAL 82 Ca 0.48 1.39 -0.06 0.00 0.00 0.00 0.00 61.98 63.80 2wv6 s VAL 82 Cb -0.34 -4.03 -0.03 0.00 0.00 0.00 0.00 36.38 31.98 2wv6 s VAL 82 CO 0.45 0.15 -0.04 -1.28 0.00 0.00 0.00 175.10 174.37 2wv6 h SER 83 N 7.14 0.00 -4.98 3.32 0.87 -1.09 0.88 113.55 119.69 2wv6 h SER 83 Ca -0.35 -0.05 -0.18 0.00 -1.23 0.00 0.00 61.79 59.98 2wv6 h SER 83 Cb 1.16 0.00 -0.18 0.00 -0.44 0.00 0.00 62.40 62.94 2wv6 h SER 83 CO 0.78 0.66 -0.70 -0.54 -0.53 0.00 0.00 176.83 176.50 2wv6 s LYS 84 N -1.89 0.52 0.02 2.24 1.02 -0.81 -0.17 119.74 120.66 2wv6 s LYS 84 Ca -0.08 -0.94 0.06 0.00 0.02 0.00 0.00 55.97 55.03 2wv6 s LYS 84 Cb 0.01 0.03 -0.02 0.00 -0.52 0.00 0.00 37.83 37.33 2wv6 s LYS 84 CO 0.14 -0.05 -0.18 -0.51 -0.92 0.00 0.00 175.35 173.83 2wv6 s LEU 85 N -2.18 2.11 -0.24 3.17 1.43 0.60 -0.85 118.68 122.73 2wv6 s LEU 85 Ca -0.04 -0.42 -0.08 0.00 -1.03 0.00 0.00 54.13 52.56 2wv6 s LEU 85 Cb -0.02 -0.85 -0.04 0.00 0.03 0.00 0.00 46.19 45.32 2wv6 s LEU 85 CO -0.04 0.15 0.09 0.00 0.23 0.00 0.00 176.35 176.78 2wv6 s VAL 87 N 1.29 1.19 -0.28 0.00 -7.23 -0.33 -0.12 120.40 114.93 2wv6 s VAL 87 Ca 0.05 -1.13 -0.27 0.00 -1.81 0.00 0.00 61.98 58.82 2wv6 s VAL 87 Cb -0.15 -1.09 0.01 0.00 0.56 0.00 0.00 36.38 35.71 2wv6 s VAL 87 CO 0.04 -0.04 0.98 0.26 -0.31 0.00 0.00 175.10 176.03 2wv6 s TRP 88 N -0.98 3.24 -1.07 2.82 0.51 0.57 -0.99 118.94 123.05 2wv6 s TRP 88 Ca 0.01 1.21 0.27 0.00 -2.12 0.00 0.00 56.10 55.48 2wv6 s TRP 88 Cb -0.09 -3.39 1.20 0.00 -0.81 0.00 0.00 33.47 30.38 2wv6 s TRP 88 CO 0.02 -0.59 1.89 0.09 -0.51 0.00 0.00 176.95 177.84 2wv6 n ASN 89 N 6.47 0.00 -0.03 2.95 4.13 -1.18 -2.84 115.26 124.76 2wv6 n ASN 89 Ca 0.10 0.40 -0.14 0.00 1.68 0.00 0.00 54.58 56.62 2wv6 n ASN 89 Cb 0.47 -0.46 -0.11 0.00 -1.54 0.00 0.00 39.78 38.13 2wv6 n ASN 89 CO 0.00 0.00 0.00 0.78 0.28 0.00 0.00 177.26 178.32 2wv6 h ASN 90 N 0.00 0.10 -3.79 6.41 4.21 -1.93 -3.46 115.58 117.12 2wv6 h ASN 90 Ca 0.00 -0.72 -0.57 0.00 1.21 0.00 0.00 56.30 56.23 2wv6 h ASN 90 Cb 0.43 -0.03 0.16 0.00 -1.12 0.00 0.00 38.32 37.77 2wv6 h ASN 90 CO 0.00 0.81 0.27 0.29 -1.29 0.00 0.00 177.43 177.51 2wv6 n LYS 91 N -4.65 0.96 -3.83 0.81 4.76 -1.25 -4.97 118.16 109.98 2wv6 n LYS 91 Ca -0.09 0.38 -0.23 0.00 -2.87 0.00 0.00 58.31 55.50 2wv6 n LYS 91 Cb 0.40 -2.31 -0.17 0.00 -1.84 0.00 0.00 35.03 31.11 2wv6 n LYS 91 CO 0.00 0.00 0.00 -0.08 -1.37 0.00 0.00 177.40 175.95 2wv6 s THR 92 N -1.47 0.46 0.94 -0.18 -1.32 -1.26 -2.64 115.64 110.16 2wv6 s THR 92 Ca 0.79 0.05 -0.11 0.00 -1.21 0.00 0.00 61.69 61.21 2wv6 s THR 92 Cb -0.40 -0.58 0.09 0.00 -1.51 0.00 0.00 72.50 70.10 2wv6 s THR 92 CO 0.44 0.27 0.77 -0.81 -2.21 0.00 0.00 174.62 173.07 2wv6 n PRO 93 N 4.99 -0.40 -1.74 7.08 -0.04 -1.26 -5.06 135.00 138.57 2wv6 n PRO 93 Ca -0.10 -0.06 -0.42 0.00 -0.04 0.00 0.00 63.50 62.88 2wv6 n PRO 93 Cb 0.50 -2.11 -0.00 0.00 -0.04 0.00 0.00 33.50 31.84 2wv6 n PRO 93 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2wv6 n ASN 94 N -2.78 3.38 -4.88 3.54 5.03 -1.08 -4.53 115.26 113.93 2wv6 n ASN 94 Ca 0.09 1.21 -0.31 0.00 0.87 0.00 0.00 54.58 56.44 2wv6 n ASN 94 Cb 0.53 -1.56 -0.05 0.00 -1.02 0.00 0.00 39.78 37.68 2wv6 n ASN 94 CO 0.00 0.00 0.00 -0.94 -1.83 0.00 0.00 177.26 174.49 2wv6 s SER 95 N -0.13 6.16 -0.22 6.41 1.04 -1.13 -0.87 113.70 124.96 2wv6 s SER 95 Ca 0.55 0.21 -0.14 0.00 0.48 0.00 0.00 55.95 57.05 2wv6 s SER 95 Cb -0.52 -1.85 -0.04 0.00 0.10 0.00 0.00 66.02 63.71 2wv6 s SER 95 CO 0.62 0.17 0.34 -0.63 0.98 0.00 0.00 173.24 174.72 2wv6 s ILE 96 N -1.47 5.23 -0.13 -1.02 1.01 -0.29 -0.31 121.20 124.22 2wv6 s ILE 96 Ca 0.33 0.56 0.19 0.00 0.00 0.00 0.00 60.65 61.73 2wv6 s ILE 96 Cb -0.13 -3.67 -0.23 0.00 0.01 0.00 0.00 42.46 38.44 2wv6 s ILE 96 CO 0.26 0.26 0.46 0.00 0.00 0.00 0.00 174.94 175.92 2wv6 n ALA 97 N 4.57 2.00 -3.47 9.38 0.00 0.83 -4.67 120.51 129.15 2wv6 n ALA 97 Ca -0.10 -0.83 -0.14 0.00 0.00 0.00 0.00 53.44 52.37 2wv6 n ALA 97 Cb 0.51 -0.62 -0.04 0.00 0.00 0.00 0.00 19.45 19.31 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 -2.92 -1.69 0.02 0.00 0.00 -1.08 -4.97 121.76 111.12 2wv6 s ALA 98 Ca -0.07 0.89 0.01 0.00 0.00 0.00 0.00 51.96 52.80 2wv6 s ALA 98 Cb 0.09 0.45 -0.02 0.00 0.00 0.00 0.00 23.12 23.64 2wv6 s ALA 98 CO 0.84 -0.59 -0.05 -1.50 0.00 0.00 0.00 175.76 174.46 2wv6 s ILE 99 N -2.59 0.35 -0.08 0.00 2.07 -1.26 -1.17 121.20 118.51 2wv6 s ILE 99 Ca -0.04 -0.79 0.03 0.00 -1.41 0.00 0.00 60.65 58.44 2wv6 s ILE 99 Cb -0.01 -0.41 0.01 0.00 0.13 0.00 0.00 42.46 42.18 2wv6 s ILE 99 CO -0.03 -0.30 -0.15 -0.70 -1.91 0.00 0.00 174.94 171.85 2wv6 s GLU 100 N -1.16 2.04 -0.10 3.50 2.12 -0.03 -4.99 118.70 120.08 2wv6 s GLU 100 Ca -0.09 -0.53 -0.01 0.00 0.36 0.00 0.00 54.97 54.71 2wv6 s GLU 100 Cb -0.08 -1.65 -0.03 0.00 0.26 0.00 0.00 34.13 32.63 2wv6 s GLU 100 CO -0.00 0.04 -0.05 -0.51 -0.54 0.00 0.00 175.26 174.20 2wv6 s LEU 101 N 0.65 3.23 0.05 2.70 1.43 -1.26 -0.49 118.68 124.99 2wv6 s LEU 101 Ca -0.14 -0.04 -0.18 0.00 -1.03 0.00 0.00 54.13 52.73 2wv6 s LEU 101 Cb -0.16 -1.73 0.04 0.00 0.03 0.00 0.00 46.19 44.36 2wv6 s LEU 101 CO 0.04 0.30 0.42 -0.55 0.23 0.00 0.00 176.35 176.78 2wv6 s SER 102 N -0.41 -0.29 0.00 2.29 0.15 -1.26 -4.91 113.70 109.28 2wv6 s SER 102 Ca 0.06 -0.02 0.20 0.00 0.70 0.00 0.00 55.95 56.89 2wv6 s SER 102 Cb -0.12 0.43 0.16 0.00 -1.71 0.00 0.00 66.02 64.78 2wv6 s SER 102 CO 0.02 -0.69 1.13 0.59 1.20 0.00 0.00 173.24 175.50