#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 1.43 -0.04 0.00 -0.01 -1.26 -4.96 135.00 130.16 2wv6 n PRO 2 Ca 0.00 0.53 0.01 0.00 -0.01 0.00 0.00 63.50 64.03 2wv6 n PRO 2 Cb 0.00 -2.36 0.04 0.00 -0.01 0.00 0.00 33.50 31.17 2wv6 n PRO 2 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 175.50 175.49 2wv6 n GLN 3 N -0.75 2.91 -3.93 -0.52 10.64 -1.26 -4.92 117.38 119.54 2wv6 n GLN 3 Ca 0.11 -1.62 -0.10 0.00 -1.83 0.00 0.00 57.00 53.57 2wv6 n GLN 3 Cb 0.44 -1.06 -0.02 0.00 -0.86 0.00 0.00 30.24 28.74 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 -0.99 0.10 0.33 2.61 2.20 -1.26 -5.06 114.94 112.87 2wv6 s ASN 4 Ca 0.06 -1.04 0.14 0.00 -0.94 0.00 0.00 52.86 51.08 2wv6 s ASN 4 Cb 0.03 0.71 0.53 0.00 -2.00 0.00 0.00 41.25 40.53 2wv6 s ASN 4 CO 0.04 -1.39 1.69 -0.29 -2.94 0.00 0.00 177.10 174.21 2wv6 h ILE 5 N 2.09 1.21 -0.55 0.54 2.10 -1.96 -1.82 117.51 119.13 2wv6 h ILE 5 Ca -0.27 -1.78 -0.09 0.00 1.08 0.00 0.00 64.86 63.81 2wv6 h ILE 5 Cb 1.25 2.00 -0.02 0.00 -1.09 0.00 0.00 36.82 38.95 2wv6 h ILE 5 CO 0.35 0.48 0.00 0.74 -1.08 0.00 0.00 178.15 178.64 2wv6 h THR 6 N 0.00 1.26 -0.19 2.19 2.02 -1.99 0.21 112.91 116.42 2wv6 h THR 6 Ca -0.00 -1.11 -0.17 0.00 0.77 0.00 0.00 66.41 65.89 2wv6 h THR 6 Cb 0.96 0.89 -0.00 0.00 -1.74 0.00 0.00 68.15 68.26 2wv6 h THR 6 CO 0.06 0.40 -0.58 -0.33 0.37 0.00 0.00 175.52 175.44 2wv6 h GLU 7 N 0.85 0.61 -0.71 6.66 5.08 -1.95 -3.13 114.58 121.99 2wv6 h GLU 7 Ca 0.15 -0.41 0.00 0.00 -1.00 0.00 0.00 59.36 58.11 2wv6 h GLU 7 Cb 0.54 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.81 2wv6 h GLU 7 CO 0.03 1.02 0.45 -0.07 -1.00 0.00 0.00 179.01 179.44 2wv6 h LEU 8 N 0.46 0.83 -1.58 1.33 3.38 -1.12 -3.02 115.31 115.59 2wv6 h LEU 8 Ca 0.00 -0.04 -0.05 0.00 0.09 0.00 0.00 57.88 57.88 2wv6 h LEU 8 Cb 1.15 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.68 2wv6 h LEU 8 CO 0.11 0.62 -0.22 0.00 0.09 0.00 0.00 178.44 179.05 2wv6 h SER 10 N 0.00 0.00 0.75 0.00 0.02 -1.54 -2.66 113.55 110.12 2wv6 h SER 10 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2wv6 h SER 10 Cb 0.41 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.95 2wv6 h SER 10 CO 0.03 0.02 0.00 -0.62 -1.14 0.00 0.00 176.83 175.12 2wv6 n GLU 11 N -3.57 0.04 -4.13 3.45 -0.58 0.04 -4.80 120.64 111.09 2wv6 n GLU 11 Ca -0.03 0.10 -0.25 0.00 -0.42 0.00 0.00 57.16 56.56 2wv6 n GLU 11 Cb 0.11 -1.50 -0.06 0.00 -0.57 0.00 0.00 31.44 29.42 2wv6 n GLU 11 CO 0.00 0.00 0.00 0.71 -0.48 0.00 0.00 177.13 177.36 2wv6 s TYR 12 N -2.95 3.04 -0.06 -0.32 1.51 -1.01 -5.09 117.35 112.47 2wv6 s TYR 12 Ca 0.12 -0.07 -0.22 0.00 -1.01 0.00 0.00 57.07 55.89 2wv6 s TYR 12 Cb 0.15 -1.44 -0.04 0.00 -0.11 0.00 0.00 41.96 40.52 2wv6 s TYR 12 CO 0.41 0.52 0.63 -1.58 -1.11 0.00 0.00 175.55 174.43 2wv6 s HIS 13 N -1.83 3.59 -1.17 2.71 2.46 -1.26 -4.36 115.29 115.42 2wv6 s HIS 13 Ca 0.30 1.17 -0.03 0.00 0.47 0.00 0.00 55.06 56.98 2wv6 s HIS 13 Cb -0.09 -2.71 0.00 0.00 -0.13 0.00 0.00 32.58 29.65 2wv6 s HIS 13 CO 0.22 0.17 0.99 0.09 -2.47 0.00 0.00 174.74 173.74 2wv6 n ASN 14 N 3.51 -3.27 -4.55 9.88 3.02 -1.26 -4.97 115.26 117.62 2wv6 n ASN 14 Ca -0.04 -0.56 -0.24 0.00 -0.03 0.00 0.00 54.58 53.72 2wv6 n ASN 14 Cb 0.51 -4.83 -0.09 0.00 -0.61 0.00 0.00 39.78 34.76 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 -3.33 2.82 0.05 3.41 -4.23 -1.26 -3.12 115.64 109.98 2wv6 s THR 15 Ca 0.17 -2.19 -0.02 0.00 -1.18 0.00 0.00 61.69 58.46 2wv6 s THR 15 Cb -0.07 -2.55 -0.03 0.00 1.34 0.00 0.00 72.50 71.19 2wv6 s THR 15 CO 0.69 -0.37 0.02 0.00 -0.54 0.00 0.00 174.62 174.42 2wv6 s GLN 16 N -3.59 0.58 0.09 3.99 -2.07 -0.46 -4.96 119.66 113.23 2wv6 s GLN 16 Ca 0.31 -1.00 -0.26 0.00 -1.82 0.00 0.00 55.36 52.59 2wv6 s GLN 16 Cb -0.05 0.21 -0.06 0.00 -1.09 0.00 0.00 33.01 32.02 2wv6 s GLN 16 CO 0.17 -0.12 0.82 0.42 -1.32 0.00 0.00 175.29 175.26 2wv6 s ILE 17 N -3.23 4.58 -0.28 3.63 -1.09 -1.26 -1.46 121.20 122.09 2wv6 s ILE 17 Ca 0.00 1.76 0.03 0.00 -2.23 0.00 0.00 60.65 60.22 2wv6 s ILE 17 Cb 0.03 -4.17 0.07 0.00 -1.58 0.00 0.00 42.46 36.80 2wv6 s ILE 17 CO -0.07 0.39 -0.07 -0.47 -1.23 0.00 0.00 174.94 173.49 2wv6 s TYR 18 N -0.29 3.40 -0.36 3.97 6.04 0.11 -4.99 117.35 125.23 2wv6 s TYR 18 Ca 0.40 -2.50 -0.20 0.00 0.04 0.00 0.00 57.07 54.81 2wv6 s TYR 18 Cb -0.22 -2.20 0.00 0.00 -1.04 0.00 0.00 41.96 38.50 2wv6 s TYR 18 CO 0.25 -0.90 0.60 -2.00 -1.54 0.00 0.00 175.55 171.97 2wv6 s GLU 19 N 1.05 3.64 0.00 4.97 2.12 -1.26 -1.59 118.70 127.62 2wv6 s GLU 19 Ca -0.04 -0.04 0.00 0.00 0.36 0.00 0.00 54.97 55.26 2wv6 s GLU 19 Cb -0.20 -3.82 0.00 0.00 0.26 0.00 0.00 34.13 30.38 2wv6 s GLU 19 CO -0.06 -0.72 0.00 1.47 -0.54 0.00 0.00 175.26 175.41 2wv6 n LEU 20 N 5.96 0.00 -3.73 2.70 -0.00 -0.09 -5.01 117.00 116.84 2wv6 n LEU 20 Ca -0.02 0.00 -0.25 0.00 -0.00 0.00 0.00 56.01 55.73 2wv6 n LEU 20 Cb 0.49 0.00 0.03 0.00 -0.00 0.00 0.00 43.42 43.93 2wv6 n LEU 20 CO 0.48 0.00 -0.11 0.59 -0.00 0.00 0.00 177.39 178.35 2wv6 n ASN 21 N -1.26 -2.69 -4.03 1.45 4.13 -0.55 -4.99 115.26 107.33 2wv6 n ASN 21 Ca 0.00 -0.93 -0.08 0.00 1.68 0.00 0.00 54.58 55.25 2wv6 n ASN 21 Cb 0.15 -3.65 -0.10 0.00 -1.54 0.00 0.00 39.78 34.64 2wv6 n ASN 21 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 2wv6 s LYS 22 N -6.02 0.48 0.33 3.52 1.02 -0.60 -4.88 119.74 113.60 2wv6 s LYS 22 Ca 0.19 -0.92 -0.13 0.00 0.02 0.00 0.00 55.97 55.13 2wv6 s LYS 22 Cb -0.06 0.17 -0.08 0.00 -0.52 0.00 0.00 37.83 37.34 2wv6 s LYS 22 CO 0.84 -0.09 0.72 -1.83 -0.92 0.00 0.00 175.35 174.07 2wv6 s GLU 23 N -2.76 3.89 0.10 1.68 -1.05 -1.26 -0.66 118.70 118.64 2wv6 s GLU 23 Ca -0.04 0.53 -0.31 0.00 -0.15 0.00 0.00 54.97 55.01 2wv6 s GLU 23 Cb -0.00 -2.45 -0.07 0.00 -0.44 0.00 0.00 34.13 31.16 2wv6 s GLU 23 CO -0.06 0.12 1.34 0.42 0.95 0.00 0.00 175.26 178.03 2wv6 s ILE 24 N -2.09 3.48 -0.11 1.83 1.01 -1.26 -4.61 121.20 119.45 2wv6 s ILE 24 Ca 0.52 1.06 0.10 0.00 0.00 0.00 0.00 60.65 62.33 2wv6 s ILE 24 Cb -0.10 -3.68 -0.24 0.00 0.01 0.00 0.00 42.46 38.45 2wv6 s ILE 24 CO 0.23 0.08 0.40 0.29 0.00 0.00 0.00 174.94 175.94 2wv6 n LYS 25 N 3.92 0.67 -3.83 2.79 4.76 0.74 -4.89 118.16 122.31 2wv6 n LYS 25 Ca 0.11 0.21 -0.13 0.00 -2.87 0.00 0.00 58.31 55.62 2wv6 n LYS 25 Cb 0.43 -1.69 -0.15 0.00 -1.84 0.00 0.00 35.03 31.78 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 -2.56 -0.02 -0.15 -0.18 2.01 -0.96 -5.00 115.64 108.79 2wv6 s THR 26 Ca -0.11 0.09 0.00 0.00 0.31 0.00 0.00 61.69 61.98 2wv6 s THR 26 Cb 0.07 -0.05 0.03 0.00 0.01 0.00 0.00 72.50 72.56 2wv6 s THR 26 CO 0.80 0.04 -0.10 -0.47 -0.69 0.00 0.00 174.62 174.20 2wv6 s TYR 27 N 0.48 1.92 -0.04 4.92 5.04 -1.26 -1.13 117.35 127.28 2wv6 s TYR 27 Ca -0.04 -1.09 0.06 0.00 -2.44 0.00 0.00 57.07 53.56 2wv6 s TYR 27 Cb -0.06 -1.45 -0.01 0.00 0.35 0.00 0.00 41.96 40.79 2wv6 s TYR 27 CO -0.01 -0.62 -0.22 0.99 -1.34 0.00 0.00 175.55 174.34 2wv6 s THR 28 N 1.57 1.80 -0.01 4.34 2.01 0.65 -5.02 115.64 120.99 2wv6 s THR 28 Ca 0.04 -0.95 0.01 0.00 0.31 0.00 0.00 61.69 61.10 2wv6 s THR 28 Cb -0.13 -1.52 0.00 0.00 0.01 0.00 0.00 72.50 70.86 2wv6 s THR 28 CO -0.09 0.51 -0.04 -1.83 -0.69 0.00 0.00 174.62 172.47 2wv6 s GLU 29 N -0.29 0.40 0.02 4.92 -1.05 -1.26 -0.50 118.70 120.94 2wv6 s GLU 29 Ca 0.02 -0.15 -0.00 0.00 -0.15 0.00 0.00 54.97 54.69 2wv6 s GLU 29 Cb -0.11 -0.40 -0.02 0.00 -0.44 0.00 0.00 34.13 33.16 2wv6 s GLU 29 CO 0.01 0.07 -0.02 -1.54 0.95 0.00 0.00 175.26 174.74 2wv6 s SER 30 N 0.03 0.19 0.15 0.83 1.04 -0.41 -4.98 113.70 110.54 2wv6 s SER 30 Ca 0.00 -0.39 -0.31 0.00 0.48 0.00 0.00 55.95 55.74 2wv6 s SER 30 Cb -0.03 0.08 -0.08 0.00 0.10 0.00 0.00 66.02 66.08 2wv6 s SER 30 CO -0.00 -0.24 1.34 -0.76 0.98 0.00 0.00 173.24 174.56 2wv6 s LEU 31 N -1.15 4.39 0.20 2.42 1.43 -1.26 -0.42 118.68 124.29 2wv6 s LEU 31 Ca -0.13 2.34 0.03 0.00 -1.03 0.00 0.00 54.13 55.35 2wv6 s LEU 31 Cb -0.08 -3.60 -0.05 0.00 0.03 0.00 0.00 46.19 42.50 2wv6 s LEU 31 CO -0.01 -0.58 -0.01 0.00 0.23 0.00 0.00 176.35 175.98 2wv6 s ALA 32 N 0.63 1.63 0.19 4.21 0.00 -0.90 -4.82 121.76 122.70 2wv6 s ALA 32 Ca 0.60 -1.68 -0.30 0.00 0.00 0.00 0.00 51.96 50.58 2wv6 s ALA 32 Cb -0.36 0.46 -0.08 0.00 0.00 0.00 0.00 23.12 23.14 2wv6 s ALA 32 CO 0.34 -0.26 1.28 0.20 0.00 0.00 0.00 175.76 177.33 2wv6 s GLY 33 N -3.25 2.50 0.00 0.00 0.00 -1.26 -3.43 107.32 101.88 2wv6 s GLY 33 Ca 0.26 1.07 0.00 0.00 0.00 0.00 0.00 44.72 46.04 2wv6 s GLY 33 CO 0.06 2.03 0.00 -1.72 0.00 0.00 0.00 173.10 173.47 2wv6 n TYR 34 N 2.66 0.00 -3.91 1.90 4.01 -1.26 -4.91 117.16 115.65 2wv6 n TYR 34 Ca 0.06 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.71 2wv6 n TYR 34 Cb 0.43 0.00 -0.08 0.00 -0.31 0.00 0.00 39.34 39.38 2wv6 n TYR 34 CO 0.00 0.00 0.00 -0.98 -0.46 0.00 0.00 176.86 175.42 2wv6 s ARG 35 N 0.00 0.75 -0.01 -0.72 1.04 -1.22 -5.15 118.95 113.64 2wv6 s ARG 35 Ca 0.00 -0.96 -0.16 0.00 -1.04 0.00 0.00 55.73 53.57 2wv6 s ARG 35 Cb 0.00 0.30 -0.06 0.00 -2.04 0.00 0.00 34.95 33.15 2wv6 s ARG 35 CO 0.00 -0.21 0.44 -1.21 -0.04 0.00 0.00 175.30 174.28 2wv6 s GLU 36 N -3.62 4.04 0.16 3.89 2.02 -1.26 -2.11 118.70 121.82 2wv6 s GLU 36 Ca 0.03 0.46 -0.30 0.00 0.02 0.00 0.00 54.97 55.18 2wv6 s GLU 36 Cb 0.04 -3.27 -0.07 0.00 0.10 0.00 0.00 34.13 30.94 2wv6 s GLU 36 CO -0.09 0.58 1.11 1.41 0.02 0.00 0.00 175.26 178.28 2wv6 s MET 37 N -0.75 4.57 -0.10 1.61 -2.45 0.44 -4.90 119.30 117.72 2wv6 s MET 37 Ca 0.25 1.71 0.02 0.00 -1.25 0.00 0.00 55.69 56.42 2wv6 s MET 37 Cb -0.17 -3.29 0.01 0.00 1.25 0.00 0.00 34.83 32.63 2wv6 s MET 37 CO 0.13 0.03 -0.16 0.08 1.05 0.00 0.00 175.02 176.16 2wv6 s VAL 38 N -0.05 1.51 -0.07 10.11 1.01 -1.26 -1.29 120.40 130.36 2wv6 s VAL 38 Ca 0.50 -0.66 0.03 0.00 0.00 0.00 0.00 61.98 61.85 2wv6 s VAL 38 Cb -0.29 -1.37 0.01 0.00 0.00 0.00 0.00 36.38 34.73 2wv6 s VAL 38 CO 0.34 0.44 -0.13 -0.63 0.00 0.00 0.00 175.10 175.12 2wv6 s ILE 39 N 0.86 1.23 0.11 2.22 1.01 0.35 -1.62 121.20 125.35 2wv6 s ILE 39 Ca -0.09 -0.54 0.10 0.00 0.00 0.00 0.00 60.65 60.12 2wv6 s ILE 39 Cb -0.15 -1.11 -0.04 0.00 0.01 0.00 0.00 42.46 41.17 2wv6 s ILE 39 CO 0.00 0.37 -0.27 0.27 0.00 0.00 0.00 174.94 175.32 2wv6 s ILE 40 N 0.57 2.20 0.08 2.92 -4.36 0.04 -0.25 121.20 122.41 2wv6 s ILE 40 Ca -0.14 -1.65 0.06 0.00 -0.26 0.00 0.00 60.65 58.66 2wv6 s ILE 40 Cb -0.15 -1.93 -0.03 0.00 1.25 0.00 0.00 42.46 41.59 2wv6 s ILE 40 CO 0.04 0.16 -0.16 -0.44 0.24 0.00 0.00 174.94 174.78 2wv6 s SER 41 N -1.83 1.93 0.42 4.36 0.01 -0.28 -1.07 113.70 117.24 2wv6 s SER 41 Ca 0.13 -0.64 0.07 0.00 1.31 0.00 0.00 55.95 56.83 2wv6 s SER 41 Cb -0.10 -0.08 -0.03 0.00 0.21 0.00 0.00 66.02 66.03 2wv6 s SER 41 CO 0.05 -0.04 0.31 -0.36 0.41 0.00 0.00 173.24 173.61 2wv6 s PHE 42 N -1.24 2.61 0.55 2.43 0.40 -0.64 -0.19 117.98 121.91 2wv6 s PHE 42 Ca 0.00 -0.55 0.24 0.00 -0.60 0.00 0.00 56.93 56.03 2wv6 s PHE 42 Cb -0.10 -2.08 1.48 0.00 0.51 0.00 0.00 43.02 42.83 2wv6 s PHE 42 CO 0.03 -0.03 2.10 0.00 0.70 0.00 0.00 175.22 178.02 2wv6 h ALA 43 N 1.15 2.03 -0.00 5.36 0.00 -1.89 -0.06 119.26 125.85 2wv6 h ALA 43 Ca -0.42 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.49 2wv6 h ALA 43 Cb 1.26 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.07 2wv6 h ALA 43 CO 0.62 -0.28 -0.00 0.27 0.00 0.00 0.00 179.25 179.86 2wv6 n ASN 44 N -4.19 0.43 0.00 0.00 6.94 -1.26 -4.90 115.26 112.28 2wv6 n ASN 44 Ca 0.02 -1.12 0.00 0.00 -0.02 0.00 0.00 54.58 53.46 2wv6 n ASN 44 Cb 0.31 -0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.73 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 1.10 3.71 4.83 0.00 -0.04 -5.03 105.19 110.83 2wv6 n GLY 45 Ca 0.22 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.67 3.89 -0.03 4.61 0.00 -1.26 -4.78 121.76 121.52 2wv6 s ALA 46 Ca 0.00 1.54 0.03 0.00 0.00 0.00 0.00 51.96 53.53 2wv6 s ALA 46 Cb 0.00 -3.71 0.00 0.00 0.00 0.00 0.00 23.12 19.41 2wv6 s ALA 46 CO 0.00 -0.99 -0.10 0.99 0.00 0.00 0.00 175.76 175.66 2wv6 s THR 47 N 1.57 0.89 0.05 0.00 2.01 -1.26 -1.61 115.64 117.28 2wv6 s THR 47 Ca 0.76 -0.41 0.03 0.00 0.31 0.00 0.00 61.69 62.38 2wv6 s THR 47 Cb -0.48 -0.79 -0.03 0.00 0.01 0.00 0.00 72.50 71.21 2wv6 s THR 47 CO 0.33 0.27 -0.09 -0.36 -0.69 0.00 0.00 174.62 174.09 2wv6 s PHE 48 N 0.22 0.76 0.34 4.92 0.08 -0.23 -3.64 117.98 120.43 2wv6 s PHE 48 Ca -0.04 -0.52 0.09 0.00 0.12 0.00 0.00 56.93 56.58 2wv6 s PHE 48 Cb -0.10 -0.45 -0.06 0.00 -0.57 0.00 0.00 43.02 41.85 2wv6 s PHE 48 CO 0.01 -0.07 -0.04 1.14 -0.10 0.00 0.00 175.22 176.16 2wv6 s GLN 49 N -1.73 1.96 -0.38 0.44 -2.07 -0.35 -0.78 119.66 116.75 2wv6 s GLN 49 Ca -0.08 -1.83 -0.06 0.00 -1.82 0.00 0.00 55.36 51.58 2wv6 s GLN 49 Cb -0.09 -1.83 0.07 0.00 -1.09 0.00 0.00 33.01 30.07 2wv6 s GLN 49 CO 0.00 0.14 0.16 0.08 -1.32 0.00 0.00 175.29 174.36 2wv6 s VAL 50 N -2.56 3.67 -0.28 3.63 1.01 -0.64 -1.77 120.40 123.47 2wv6 s VAL 50 Ca 0.34 -1.50 -0.19 0.00 0.00 0.00 0.00 61.98 60.62 2wv6 s VAL 50 Cb 0.01 -3.25 0.12 0.00 0.00 0.00 0.00 36.38 33.26 2wv6 s VAL 50 CO 0.18 -0.41 0.92 -0.70 0.00 0.00 0.00 175.10 175.09 2wv6 s GLU 51 N 1.32 0.51 0.24 2.72 2.12 -1.26 -4.53 118.70 119.82 2wv6 s GLU 51 Ca 0.02 0.77 -0.30 0.00 0.36 0.00 0.00 54.97 55.82 2wv6 s GLU 51 Cb -0.22 0.16 -0.09 0.00 0.26 0.00 0.00 34.13 34.25 2wv6 s GLU 51 CO 0.00 -0.09 1.22 0.14 -0.54 0.00 0.00 175.26 175.99 2wv6 s VAL 52 N 0.99 3.29 -1.05 3.70 -7.23 -1.26 -4.65 120.40 114.19 2wv6 s VAL 52 Ca -0.05 1.17 0.18 0.00 -1.81 0.00 0.00 61.98 61.47 2wv6 s VAL 52 Cb -0.04 -3.75 0.70 0.00 0.56 0.00 0.00 36.38 33.84 2wv6 s VAL 52 CO -0.12 0.23 1.61 -0.81 -0.31 0.00 0.00 175.10 175.70 2wv6 n PRO 53 N 1.82 3.69 0.00 4.82 -0.04 -1.26 -5.18 135.00 138.84 2wv6 n PRO 53 Ca 0.02 -2.86 0.00 0.00 -0.04 0.00 0.00 63.50 60.62 2wv6 n PRO 53 Cb 0.44 -1.87 0.00 0.00 -0.04 0.00 0.00 33.50 32.03 2wv6 n PRO 53 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 2wv6 n LEU 65 N 1.00 0.00 -0.25 1.53 7.94 -1.26 -5.26 117.00 120.70 2wv6 n LEU 65 Ca 0.25 0.00 -0.04 0.00 -1.11 0.00 0.00 56.01 55.11 2wv6 n LEU 65 Cb 0.88 0.00 0.12 0.00 0.53 0.00 0.00 43.42 44.95 2wv6 n LEU 65 CO 0.23 0.00 1.08 1.05 -1.11 0.00 0.00 177.39 178.64 2wv6 h GLU 66 N 0.00 1.10 -0.09 1.96 4.11 -2.00 -1.68 114.58 117.98 2wv6 h GLU 66 Ca 0.00 -0.18 -0.00 0.00 0.07 0.00 0.00 59.36 59.25 2wv6 h GLU 66 Cb 0.00 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.05 2wv6 h GLU 66 CO 0.00 0.87 0.05 -0.09 0.07 0.00 0.00 179.01 179.92 2wv6 h ARG 67 N 1.09 0.12 -0.45 1.06 2.43 -2.05 -1.79 114.38 114.79 2wv6 h ARG 67 Ca 0.26 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.40 2wv6 h ARG 67 Cb 0.16 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.67 2wv6 h ARG 67 CO -0.03 0.13 0.21 1.98 -1.51 0.00 0.00 179.97 180.75 2wv6 h MET 68 N 0.08 0.65 -0.66 0.20 4.05 -1.92 -0.37 114.93 116.96 2wv6 h MET 68 Ca 0.03 -0.10 0.07 0.00 -0.28 0.00 0.00 59.70 59.42 2wv6 h MET 68 Cb 0.04 -0.12 -0.06 0.00 -0.80 0.00 0.00 31.60 30.66 2wv6 h MET 68 CO -0.01 0.56 0.35 0.87 0.23 0.00 0.00 176.91 178.91 2wv6 h LYS 69 N 0.59 0.60 -0.59 0.39 1.57 -1.23 -0.12 116.57 117.78 2wv6 h LYS 69 Ca 0.15 -0.04 0.02 0.00 -1.87 0.00 0.00 60.65 58.92 2wv6 h LYS 69 Cb 0.13 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.27 2wv6 h LYS 69 CO -0.02 0.40 0.37 -0.44 -0.57 0.00 0.00 179.45 179.19 2wv6 h ASP 70 N 0.62 0.62 -0.42 0.86 3.32 -0.60 -0.86 116.42 119.97 2wv6 h ASP 70 Ca 0.31 -0.01 -0.06 0.00 0.02 0.00 0.00 57.03 57.29 2wv6 h ASP 70 Cb 0.25 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.64 2wv6 h ASP 70 CO -0.22 0.44 0.02 0.74 -1.72 0.00 0.00 179.24 178.51 2wv6 h THR 71 N 0.75 1.26 -0.50 0.35 2.02 -0.51 -1.40 112.91 114.87 2wv6 h THR 71 Ca 0.23 -0.98 -0.13 0.00 0.77 0.00 0.00 66.41 66.30 2wv6 h THR 71 Cb -0.03 1.07 -0.01 0.00 -1.74 0.00 0.00 68.15 67.43 2wv6 h THR 71 CO -0.08 0.34 -0.18 -0.07 0.37 0.00 0.00 175.52 175.90 2wv6 h LEU 72 N 0.57 1.03 -0.56 2.58 3.38 -0.79 -1.12 115.31 120.41 2wv6 h LEU 72 Ca 0.12 -0.38 -0.02 0.00 0.09 0.00 0.00 57.88 57.69 2wv6 h LEU 72 Cb 0.45 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 2wv6 h LEU 72 CO 0.02 1.17 0.27 -0.09 0.09 0.00 0.00 178.44 179.90 2wv6 h ARG 73 N 0.87 0.80 -0.73 1.13 2.43 -1.06 -0.80 114.38 117.02 2wv6 h ARG 73 Ca 0.12 -0.12 0.02 0.00 -0.81 0.00 0.00 59.98 59.19 2wv6 h ARG 73 Cb 0.75 -0.14 -0.04 0.00 -0.42 0.00 0.00 29.97 30.12 2wv6 h ARG 73 CO 0.06 0.66 0.47 0.00 -1.51 0.00 0.00 179.97 179.65 2wv6 h ALA 74 N 1.10 0.93 -0.86 2.80 0.00 -1.09 -0.53 119.26 121.61 2wv6 h ALA 74 Ca 0.19 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 2wv6 h ALA 74 Cb 0.12 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.60 2wv6 h ALA 74 CO -0.02 0.30 0.43 0.00 0.00 0.00 0.00 179.25 179.96 2wv6 h ALA 75 N 1.28 1.11 0.41 0.00 0.00 -0.94 -1.65 119.26 119.47 2wv6 h ALA 75 Ca 0.28 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 2wv6 h ALA 75 Cb -0.06 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.40 2wv6 h ALA 75 CO -0.08 0.65 -0.20 -0.92 0.00 0.00 0.00 179.25 178.70 2wv6 h TYR 76 N 1.22 -0.51 -0.68 0.00 3.20 -0.49 0.45 116.97 120.14 2wv6 h TYR 76 Ca 0.30 -0.01 0.06 0.00 3.14 0.00 0.00 58.73 62.22 2wv6 h TYR 76 Cb 0.09 0.17 -0.04 0.00 1.54 0.00 0.00 36.73 38.49 2wv6 h TYR 76 CO 0.01 -0.30 0.45 0.74 -1.64 0.00 0.00 178.16 177.42 2wv6 h PHE 77 N -0.59 0.70 0.00 -3.82 0.04 -0.91 -2.87 116.94 109.49 2wv6 h PHE 77 Ca -0.06 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.73 2wv6 h PHE 77 Cb 0.44 -0.23 0.00 0.00 2.20 0.00 0.00 35.95 38.36 2wv6 h PHE 77 CO -0.04 0.37 -1.12 0.25 -0.60 0.00 0.00 178.31 177.17 2wv6 n THR 78 N -4.48 0.19 -1.87 -1.55 -2.24 -0.64 -4.97 114.28 98.72 2wv6 n THR 78 Ca 0.10 -0.29 -0.08 0.00 -2.27 0.00 0.00 64.05 61.51 2wv6 n THR 78 Cb 0.24 0.16 -0.01 0.00 -2.10 0.00 0.00 70.33 68.61 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 1.34 0.33 3.77 3.38 0.00 0.11 -5.00 105.19 109.12 2wv6 n GLY 79 Ca 0.01 -0.61 -0.40 0.00 0.00 0.00 0.00 46.02 45.03 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 -2.35 3.09 0.03 -0.61 1.09 -0.97 -4.84 121.20 116.64 2wv6 s ILE 80 Ca 0.00 1.04 -0.29 0.00 -1.10 0.00 0.00 60.65 60.30 2wv6 s ILE 80 Cb 0.00 -3.64 -0.04 0.00 -1.06 0.00 0.00 42.46 37.72 2wv6 s ILE 80 CO 0.00 0.20 0.94 -0.54 -0.10 0.00 0.00 174.94 175.44 2wv6 s LYS 81 N -1.84 4.58 -0.33 2.79 1.02 -1.26 -4.47 119.74 120.22 2wv6 s LYS 81 Ca 0.50 1.36 -0.21 0.00 0.02 0.00 0.00 55.97 57.64 2wv6 s LYS 81 Cb -0.34 -3.43 -0.00 0.00 -0.52 0.00 0.00 37.83 33.53 2wv6 s LYS 81 CO 0.45 0.05 0.68 0.08 -0.92 0.00 0.00 175.35 175.68 2wv6 s VAL 82 N 0.66 4.87 -0.12 3.17 1.01 0.17 -3.85 120.40 126.30 2wv6 s VAL 82 Ca 0.49 0.79 -0.12 0.00 0.00 0.00 0.00 61.98 63.14 2wv6 s VAL 82 Cb -0.21 -4.08 -0.10 0.00 0.00 0.00 0.00 36.38 31.98 2wv6 s VAL 82 CO 0.27 -0.27 0.26 -1.28 0.00 0.00 0.00 175.10 174.08 2wv6 h SER 83 N 8.34 0.00 -4.67 3.32 0.87 -1.14 -1.42 113.55 118.84 2wv6 h SER 83 Ca -0.26 -0.37 -0.27 0.00 -1.23 0.00 0.00 61.79 59.66 2wv6 h SER 83 Cb 1.11 0.00 -0.22 0.00 -0.44 0.00 0.00 62.40 62.85 2wv6 h SER 83 CO 0.84 0.76 -0.73 -0.54 -0.53 0.00 0.00 176.83 176.63 2wv6 s LYS 84 N -1.89 0.49 0.04 2.24 1.02 -1.02 -0.91 119.74 119.71 2wv6 s LYS 84 Ca -0.10 -0.68 0.09 0.00 0.02 0.00 0.00 55.97 55.30 2wv6 s LYS 84 Cb -0.00 -0.27 -0.03 0.00 -0.52 0.00 0.00 37.83 37.01 2wv6 s LYS 84 CO 0.29 0.05 -0.24 -0.51 -0.92 0.00 0.00 175.35 174.02 2wv6 s LEU 85 N -1.39 2.17 -0.27 3.17 1.43 -0.62 -0.82 118.68 122.35 2wv6 s LEU 85 Ca -0.09 -0.56 -0.07 0.00 -1.03 0.00 0.00 54.13 52.37 2wv6 s LEU 85 Cb -0.09 -1.17 -0.01 0.00 0.03 0.00 0.00 46.19 44.95 2wv6 s LEU 85 CO 0.00 0.22 0.07 0.00 0.23 0.00 0.00 176.35 176.88 2wv6 s VAL 87 N 1.57 1.54 -0.20 0.00 -7.23 -0.54 0.30 120.40 115.85 2wv6 s VAL 87 Ca 0.05 -1.17 -0.29 0.00 -1.81 0.00 0.00 61.98 58.76 2wv6 s VAL 87 Cb -0.16 -1.35 0.00 0.00 0.56 0.00 0.00 36.38 35.43 2wv6 s VAL 87 CO 0.03 0.15 1.08 0.26 -0.31 0.00 0.00 175.10 176.31 2wv6 s TRP 88 N -0.83 3.26 -2.07 2.82 0.51 0.34 -1.36 118.94 121.61 2wv6 s TRP 88 Ca 0.06 1.39 0.22 0.00 -2.12 0.00 0.00 56.10 55.65 2wv6 s TRP 88 Cb -0.09 -3.31 0.58 0.00 -0.81 0.00 0.00 33.47 29.84 2wv6 s TRP 88 CO 0.02 -0.70 1.49 0.27 -0.51 0.00 0.00 176.95 177.52 2wv6 n ASN 89 N 6.21 3.80 -1.43 2.95 2.04 -1.18 -2.74 115.26 124.90 2wv6 n ASN 89 Ca 0.12 -2.00 0.10 0.00 -0.44 0.00 0.00 54.58 52.36 2wv6 n ASN 89 Cb 0.46 -0.42 0.33 0.00 -2.53 0.00 0.00 39.78 37.62 2wv6 n ASN 89 CO 0.00 0.00 0.00 -0.46 -0.44 0.00 0.00 177.26 176.36 2wv6 n ASN 90 N 1.58 4.21 -4.27 0.53 0.23 -1.26 -4.91 115.26 111.36 2wv6 n ASN 90 Ca 0.23 -2.25 -0.30 0.00 -0.53 0.00 0.00 54.58 51.73 2wv6 n ASN 90 Cb 0.61 -0.53 -0.16 0.00 -2.08 0.00 0.00 39.78 37.63 2wv6 n ASN 90 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 2wv6 s LYS 91 N -1.52 1.95 -0.19 -3.83 -0.14 -1.26 -5.10 119.74 109.65 2wv6 s LYS 91 Ca 0.48 -0.86 -0.01 0.00 -1.36 0.00 0.00 55.97 54.22 2wv6 s LYS 91 Cb 0.28 -1.88 0.05 0.00 -1.68 0.00 0.00 37.83 34.60 2wv6 s LYS 91 CO 0.27 0.51 -0.02 -0.08 -0.76 0.00 0.00 175.35 175.27 2wv6 s THR 92 N -0.55 1.04 0.77 2.17 -1.32 -1.26 -2.14 115.64 114.34 2wv6 s THR 92 Ca 0.09 -0.77 -0.12 0.00 -1.21 0.00 0.00 61.69 59.69 2wv6 s THR 92 Cb -0.09 -1.34 0.06 0.00 -1.51 0.00 0.00 72.50 69.61 2wv6 s THR 92 CO -0.01 -0.04 1.11 -2.16 -2.21 0.00 0.00 174.62 171.31 2wv6 s PRO 93 N 1.64 2.16 0.48 7.08 0.04 -1.26 -5.09 135.00 140.04 2wv6 s PRO 93 Ca -0.02 1.31 -0.24 0.00 0.04 0.00 0.00 61.00 62.09 2wv6 s PRO 93 Cb -0.17 -1.88 -0.07 0.00 0.04 0.00 0.00 34.50 32.42 2wv6 s PRO 93 CO -0.07 -1.73 1.39 -0.80 0.04 0.00 0.00 177.00 175.82 2wv6 s ASN 94 N -3.04 5.74 0.13 6.66 0.02 -0.91 -4.47 114.94 119.06 2wv6 s ASN 94 Ca 0.64 2.83 -0.04 0.00 -1.02 0.00 0.00 52.86 55.27 2wv6 s ASN 94 Cb -0.19 -2.65 -0.05 0.00 0.02 0.00 0.00 41.25 38.38 2wv6 s ASN 94 CO 0.53 -1.26 0.35 -0.55 0.02 0.00 0.00 177.10 176.19 2wv6 s SER 95 N -0.68 6.47 -0.22 -1.22 0.15 -1.11 -1.22 113.70 115.87 2wv6 s SER 95 Ca 0.64 0.54 -0.14 0.00 0.70 0.00 0.00 55.95 57.69 2wv6 s SER 95 Cb -0.42 -2.07 -0.04 0.00 -1.71 0.00 0.00 66.02 61.78 2wv6 s SER 95 CO 0.52 0.07 0.30 -0.63 1.20 0.00 0.00 173.24 174.71 2wv6 s ILE 96 N -1.63 5.26 -0.16 6.45 1.01 -0.73 -0.51 121.20 130.90 2wv6 s ILE 96 Ca 0.40 0.48 0.07 0.00 0.00 0.00 0.00 60.65 61.60 2wv6 s ILE 96 Cb -0.12 -3.63 -0.23 0.00 0.01 0.00 0.00 42.46 38.49 2wv6 s ILE 96 CO 0.25 0.28 0.20 0.00 0.00 0.00 0.00 174.94 175.67 2wv6 n ALA 97 N 4.49 1.35 -3.33 9.38 0.00 0.15 -4.67 120.51 127.88 2wv6 n ALA 97 Ca -0.11 -0.99 -0.11 0.00 0.00 0.00 0.00 53.44 52.23 2wv6 n ALA 97 Cb 0.51 -0.43 -0.03 0.00 0.00 0.00 0.00 19.45 19.51 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 -2.54 -1.34 0.02 0.00 0.00 -1.07 -4.99 121.76 111.84 2wv6 s ALA 98 Ca -0.18 0.23 0.01 0.00 0.00 0.00 0.00 51.96 52.02 2wv6 s ALA 98 Cb 0.07 0.83 -0.01 0.00 0.00 0.00 0.00 23.12 24.01 2wv6 s ALA 98 CO 0.76 -0.76 -0.04 -1.50 0.00 0.00 0.00 175.76 174.22 2wv6 s ILE 99 N -3.79 0.27 -0.09 0.00 2.07 -1.26 -1.36 121.20 117.04 2wv6 s ILE 99 Ca 0.03 -0.65 0.04 0.00 -1.41 0.00 0.00 60.65 58.66 2wv6 s ILE 99 Cb -0.01 -0.33 0.00 0.00 0.13 0.00 0.00 42.46 42.26 2wv6 s ILE 99 CO -0.10 -0.25 -0.21 -0.70 -1.91 0.00 0.00 174.94 171.76 2wv6 s GLU 100 N -0.95 2.75 -0.15 3.50 2.12 0.00 -5.00 118.70 120.97 2wv6 s GLU 100 Ca -0.08 -0.78 -0.03 0.00 0.36 0.00 0.00 54.97 54.44 2wv6 s GLU 100 Cb -0.07 -2.11 -0.03 0.00 0.26 0.00 0.00 34.13 32.19 2wv6 s GLU 100 CO -0.00 0.15 -0.05 -0.51 -0.54 0.00 0.00 175.26 174.31 2wv6 s LEU 101 N 0.40 3.17 -0.20 2.70 1.43 -1.26 -0.72 118.68 124.19 2wv6 s LEU 101 Ca -0.18 -0.15 -0.27 0.00 -1.03 0.00 0.00 54.13 52.50 2wv6 s LEU 101 Cb -0.17 -1.75 0.08 0.00 0.03 0.00 0.00 46.19 44.37 2wv6 s LEU 101 CO 0.08 0.18 0.75 -0.55 0.23 0.00 0.00 176.35 177.04 2wv6 s SER 102 N 0.30 -0.68 0.00 2.29 0.15 -1.25 -4.90 113.70 109.61 2wv6 s SER 102 Ca -0.04 1.12 0.00 0.00 0.70 0.00 0.00 55.95 57.73 2wv6 s SER 102 Cb -0.14 1.07 0.00 0.00 -1.71 0.00 0.00 66.02 65.24 2wv6 s SER 102 CO 0.03 -0.36 0.00 -3.20 1.20 0.00 0.00 173.24 170.92