#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wv6 s PRO 2 N 0.00 4.15 0.00 0.00 0.04 -1.26 -4.92 135.00 133.00 2wv6 s PRO 2 Ca 0.00 2.52 0.08 0.00 0.04 0.00 0.00 61.00 63.64 2wv6 s PRO 2 Cb 0.00 -2.99 0.02 0.00 0.04 0.00 0.00 34.50 31.56 2wv6 s PRO 2 CO 0.00 -0.50 0.60 1.04 0.04 0.00 0.00 177.00 178.18 2wv6 n GLN 3 N 0.81 1.67 -3.98 4.56 6.02 -1.26 -4.93 117.38 120.27 2wv6 n GLN 3 Ca 0.02 -0.65 -0.09 0.00 -0.01 0.00 0.00 57.00 56.27 2wv6 n GLN 3 Cb 0.39 -1.05 -0.04 0.00 1.02 0.00 0.00 30.24 30.56 2wv6 n GLN 3 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2wv6 s ASN 4 N -1.02 -0.02 0.34 1.08 2.20 -1.26 -5.07 114.94 111.19 2wv6 s ASN 4 Ca 0.07 -0.96 0.06 0.00 -0.94 0.00 0.00 52.86 51.09 2wv6 s ASN 4 Cb 0.06 0.62 0.62 0.00 -2.00 0.00 0.00 41.25 40.55 2wv6 s ASN 4 CO 0.17 -1.20 1.86 -0.29 -2.94 0.00 0.00 177.10 174.70 2wv6 h ILE 5 N 2.20 1.20 -0.40 0.54 2.10 -1.96 -1.54 117.51 119.66 2wv6 h ILE 5 Ca -0.26 -0.87 -0.12 0.00 1.08 0.00 0.00 64.86 64.69 2wv6 h ILE 5 Cb 1.25 1.09 -0.01 0.00 -1.09 0.00 0.00 36.82 38.06 2wv6 h ILE 5 CO 0.35 0.29 -0.24 0.74 -1.08 0.00 0.00 178.15 178.20 2wv6 h THR 6 N 0.41 1.27 -0.26 2.19 2.02 -1.99 0.69 112.91 117.24 2wv6 h THR 6 Ca 0.08 -1.37 -0.12 0.00 0.77 0.00 0.00 66.41 65.77 2wv6 h THR 6 Cb 0.40 1.23 -0.00 0.00 -1.74 0.00 0.00 68.15 68.03 2wv6 h THR 6 CO 0.02 0.46 -0.29 -0.33 0.37 0.00 0.00 175.52 175.75 2wv6 h GLU 7 N 0.70 0.66 -0.59 6.66 5.08 -1.89 -2.85 114.58 122.35 2wv6 h GLU 7 Ca 0.09 -0.36 0.02 0.00 -1.00 0.00 0.00 59.36 58.11 2wv6 h GLU 7 Cb 0.77 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 30.00 2wv6 h GLU 7 CO 0.06 0.97 0.36 -0.07 -1.00 0.00 0.00 179.01 179.34 2wv6 h LEU 8 N 0.38 0.60 -1.18 1.33 3.38 -1.15 -3.06 115.31 115.61 2wv6 h LEU 8 Ca 0.04 -0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.97 2wv6 h LEU 8 Cb 0.86 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.46 2wv6 h LEU 8 CO 0.07 0.42 0.15 0.00 0.09 0.00 0.00 178.44 179.18 2wv6 h SER 10 N 0.71 0.00 1.57 0.00 4.64 -1.40 -2.68 113.55 116.39 2wv6 h SER 10 Ca 0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.49 2wv6 h SER 10 Cb 0.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.31 2wv6 h SER 10 CO -0.01 0.00 -0.14 -0.33 -0.87 0.00 0.00 176.83 175.48 2wv6 h GLU 11 N 0.00 0.00 -7.25 4.77 5.08 -1.42 -3.45 114.58 112.31 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 0.25 0.00 0.07 0.00 0.50 0.00 0.00 28.75 29.57 2wv6 h GLU 11 CO 0.00 0.00 0.22 0.71 -1.00 0.00 0.00 179.01 178.94 2wv6 s TYR 12 N -3.17 3.05 0.01 4.33 1.51 -1.01 -5.11 117.35 116.96 2wv6 s TYR 12 Ca 0.08 0.55 -0.01 0.00 -1.01 0.00 0.00 57.07 56.68 2wv6 s TYR 12 Cb 0.10 -3.04 -0.04 0.00 -0.11 0.00 0.00 41.96 38.87 2wv6 s TYR 12 CO 0.65 -1.20 0.11 -1.01 -1.11 0.00 0.00 175.55 172.99 2wv6 s HIS 13 N -3.17 3.35 -1.34 2.71 3.76 -1.26 -4.66 115.29 114.68 2wv6 s HIS 13 Ca 0.58 0.23 -0.06 0.00 -0.15 0.00 0.00 55.06 55.66 2wv6 s HIS 13 Cb -0.11 -1.75 0.02 0.00 1.11 0.00 0.00 32.58 31.85 2wv6 s HIS 13 CO 0.45 0.57 1.02 0.09 -0.85 0.00 0.00 174.74 176.03 2wv6 n ASN 14 N 1.00 -4.09 -4.43 1.40 4.13 -1.26 -4.92 115.26 107.09 2wv6 n ASN 14 Ca -0.12 -0.65 -0.22 0.00 1.68 0.00 0.00 54.58 55.27 2wv6 n ASN 14 Cb 0.52 -4.69 -0.10 0.00 -1.54 0.00 0.00 39.78 33.98 2wv6 n ASN 14 CO 0.00 0.00 0.00 0.42 0.28 0.00 0.00 177.26 177.96 2wv6 s THR 15 N -3.38 2.23 0.16 3.41 -4.23 -1.26 -0.96 115.64 111.62 2wv6 s THR 15 Ca 0.35 -2.33 -0.11 0.00 -1.18 0.00 0.00 61.69 58.42 2wv6 s THR 15 Cb -0.16 -2.21 0.00 0.00 1.34 0.00 0.00 72.50 71.47 2wv6 s THR 15 CO 0.76 -0.45 0.33 0.00 -0.54 0.00 0.00 174.62 174.72 2wv6 s GLN 16 N -3.52 1.17 -0.18 3.99 -2.07 -0.34 -4.90 119.66 113.81 2wv6 s GLN 16 Ca 0.27 -1.08 -0.09 0.00 -1.82 0.00 0.00 55.36 52.64 2wv6 s GLN 16 Cb -0.04 0.41 -0.05 0.00 -1.09 0.00 0.00 33.01 32.24 2wv6 s GLN 16 CO 0.12 -0.44 0.12 0.42 -1.32 0.00 0.00 175.29 174.19 2wv6 s ILE 17 N -3.93 5.30 -0.17 3.63 -1.09 -1.26 -1.41 121.20 122.26 2wv6 s ILE 17 Ca 0.14 0.15 -0.05 0.00 -2.23 0.00 0.00 60.65 58.66 2wv6 s ILE 17 Cb 0.02 -3.40 -0.03 0.00 -1.58 0.00 0.00 42.46 37.48 2wv6 s ILE 17 CO -0.02 0.47 -0.00 -0.31 -1.23 0.00 0.00 174.94 173.85 2wv6 s TYR 18 N 0.16 3.09 -0.28 3.97 1.51 0.58 -4.98 117.35 121.40 2wv6 s TYR 18 Ca 0.08 -0.22 -0.11 0.00 -1.01 0.00 0.00 57.07 55.81 2wv6 s TYR 18 Cb -0.11 -2.01 -0.05 0.00 -0.11 0.00 0.00 41.96 39.67 2wv6 s TYR 18 CO -0.01 -0.02 0.20 -2.00 -1.11 0.00 0.00 175.55 172.62 2wv6 s GLU 19 N 0.48 3.96 -0.07 -0.62 2.12 -1.26 -1.20 118.70 122.10 2wv6 s GLU 19 Ca -0.01 -0.30 -0.04 0.00 0.36 0.00 0.00 54.97 54.98 2wv6 s GLU 19 Cb -0.14 -3.66 -0.03 0.00 0.26 0.00 0.00 34.13 30.56 2wv6 s GLU 19 CO 0.02 -0.18 -0.11 1.28 -0.54 0.00 0.00 175.26 175.73 2wv6 n LEU 20 N 5.06 0.71 -3.76 2.70 4.77 0.59 -5.01 117.00 122.06 2wv6 n LEU 20 Ca -0.14 0.12 -0.24 0.00 -0.03 0.00 0.00 56.01 55.72 2wv6 n LEU 20 Cb 0.52 -0.28 0.03 0.00 -2.33 0.00 0.00 43.42 41.36 2wv6 n LEU 20 CO 0.33 0.05 -0.02 0.59 -1.33 0.00 0.00 177.39 177.02 2wv6 n ASN 21 N -3.44 -2.26 -3.90 -1.43 3.02 0.06 -4.98 115.26 102.32 2wv6 n ASN 21 Ca -0.15 -0.81 -0.10 0.00 -0.03 0.00 0.00 54.58 53.49 2wv6 n ASN 21 Cb 0.55 -4.01 -0.10 0.00 -0.61 0.00 0.00 39.78 35.60 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 -6.17 0.46 0.59 3.52 1.02 -1.02 -4.90 119.74 113.25 2wv6 s LYS 22 Ca 0.20 -0.50 -0.14 0.00 0.02 0.00 0.00 55.97 55.55 2wv6 s LYS 22 Cb -0.10 0.19 -0.04 0.00 -0.52 0.00 0.00 37.83 37.36 2wv6 s LYS 22 CO 0.82 -0.11 1.03 -1.83 -0.92 0.00 0.00 175.35 174.34 2wv6 s GLU 23 N -1.58 3.51 0.06 1.68 -1.05 -1.26 -1.06 118.70 119.00 2wv6 s GLU 23 Ca -0.14 0.99 -0.31 0.00 -0.15 0.00 0.00 54.97 55.37 2wv6 s GLU 23 Cb -0.07 -2.07 -0.05 0.00 -0.44 0.00 0.00 34.13 31.50 2wv6 s GLU 23 CO 0.00 -0.64 1.18 0.42 0.95 0.00 0.00 175.26 177.17 2wv6 s ILE 24 N -2.75 4.09 -0.10 1.83 1.01 -1.26 -4.66 121.20 119.36 2wv6 s ILE 24 Ca 0.59 1.50 -0.17 0.00 0.00 0.00 0.00 60.65 62.58 2wv6 s ILE 24 Cb -0.13 -3.96 -0.27 0.00 0.01 0.00 0.00 42.46 38.11 2wv6 s ILE 24 CO 0.41 0.12 0.59 0.50 0.00 0.00 0.00 174.94 176.57 2wv6 h LYS 25 N 6.78 0.23 -4.50 2.79 3.64 -0.93 -3.47 116.57 121.10 2wv6 h LYS 25 Ca -0.42 -0.40 -0.30 0.00 -1.27 0.00 0.00 60.65 58.27 2wv6 h LYS 25 Cb 1.21 0.15 -0.24 0.00 -0.41 0.00 0.00 32.23 32.95 2wv6 h LYS 25 CO 0.81 1.19 -0.74 0.95 -2.27 0.00 0.00 179.45 179.38 2wv6 s THR 26 N -2.46 0.51 -0.06 1.00 -4.23 -0.90 -4.99 115.64 104.52 2wv6 s THR 26 Ca -0.19 -0.80 0.01 0.00 -1.18 0.00 0.00 61.69 59.53 2wv6 s THR 26 Cb 0.04 -0.54 0.02 0.00 1.34 0.00 0.00 72.50 73.36 2wv6 s THR 26 CO 0.76 -0.21 -0.09 -0.47 -0.54 0.00 0.00 174.62 174.08 2wv6 s TYR 27 N -0.95 1.20 -0.01 3.99 5.04 -1.26 -1.39 117.35 123.96 2wv6 s TYR 27 Ca -0.06 -0.44 0.03 0.00 -2.44 0.00 0.00 57.07 54.17 2wv6 s TYR 27 Cb -0.07 -0.94 -0.01 0.00 0.35 0.00 0.00 41.96 41.29 2wv6 s TYR 27 CO 0.00 -0.27 -0.11 0.99 -1.34 0.00 0.00 175.55 174.81 2wv6 s THR 28 N 0.89 0.91 0.03 4.34 2.01 -0.14 -5.00 115.64 118.68 2wv6 s THR 28 Ca -0.11 -0.48 0.03 0.00 0.31 0.00 0.00 61.69 61.45 2wv6 s THR 28 Cb -0.15 -0.78 -0.02 0.00 0.01 0.00 0.00 72.50 71.57 2wv6 s THR 28 CO 0.01 0.26 -0.11 -1.83 -0.69 0.00 0.00 174.62 172.27 2wv6 s GLU 29 N -0.15 0.74 -0.06 4.92 -1.05 -1.26 -0.85 118.70 120.97 2wv6 s GLU 29 Ca 0.02 -0.61 -0.10 0.00 -0.15 0.00 0.00 54.97 54.14 2wv6 s GLU 29 Cb -0.06 -0.68 0.02 0.00 -0.44 0.00 0.00 34.13 32.97 2wv6 s GLU 29 CO -0.00 0.17 0.25 -1.54 0.95 0.00 0.00 175.26 175.08 2wv6 s SER 30 N -0.95 -0.20 0.11 0.83 1.04 -0.49 -4.99 113.70 109.06 2wv6 s SER 30 Ca -0.01 0.31 -0.34 0.00 0.48 0.00 0.00 55.95 56.40 2wv6 s SER 30 Cb -0.07 0.43 -0.13 0.00 0.10 0.00 0.00 66.02 66.35 2wv6 s SER 30 CO 0.01 -0.20 1.65 -0.11 0.98 0.00 0.00 173.24 175.56 2wv6 n LEU 31 N 2.38 3.22 -3.37 2.42 7.94 -1.26 -0.99 117.00 127.34 2wv6 n LEU 31 Ca -0.16 1.06 -0.21 0.00 -1.11 0.00 0.00 56.01 55.59 2wv6 n LEU 31 Cb 0.57 -1.42 -0.09 0.00 0.53 0.00 0.00 43.42 43.01 2wv6 n LEU 31 CO 0.19 -0.22 -0.21 0.00 -1.11 0.00 0.00 177.39 176.04 2wv6 s ALA 32 N 1.62 0.11 0.00 1.96 0.00 0.11 -4.82 121.76 120.74 2wv6 s ALA 32 Ca 0.82 -1.40 0.00 0.00 0.00 0.00 0.00 51.96 51.38 2wv6 s ALA 32 Cb -0.67 -1.90 0.00 0.00 0.00 0.00 0.00 23.12 20.55 2wv6 s ALA 32 CO 0.40 -2.12 0.00 0.41 0.00 0.00 0.00 175.76 174.45 2wv6 n GLY 33 N 3.95 1.26 0.98 0.00 0.00 -1.26 -3.13 105.19 106.99 2wv6 n GLY 33 Ca 0.14 -0.55 0.12 0.00 0.00 0.00 0.00 46.02 45.72 2wv6 n GLY 33 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2wv6 n TYR 34 N 12.23 0.33 -3.35 1.61 4.01 -1.26 -4.96 117.16 125.78 2wv6 n TYR 34 Ca 0.00 -0.17 0.00 0.00 -0.16 0.00 0.00 57.90 57.57 2wv6 n TYR 34 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.03 2wv6 n TYR 34 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 2wv6 n ARG 35 N 1.19 0.54 -5.17 -0.72 1.74 -1.18 -5.17 116.66 107.89 2wv6 n ARG 35 Ca 0.18 0.00 -0.29 0.00 -0.77 0.00 0.00 57.85 56.97 2wv6 n ARG 35 Cb 0.54 0.00 -0.16 0.00 -1.02 0.00 0.00 32.46 31.82 2wv6 n ARG 35 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 2wv6 s GLU 36 N -0.05 1.92 0.34 5.56 2.02 -1.26 -0.71 118.70 126.52 2wv6 s GLU 36 Ca 0.00 -0.84 -0.26 0.00 0.02 0.00 0.00 54.97 53.90 2wv6 s GLU 36 Cb 0.00 -1.84 -0.10 0.00 0.10 0.00 0.00 34.13 32.29 2wv6 s GLU 36 CO 0.00 0.50 0.97 1.41 0.02 0.00 0.00 175.26 178.16 2wv6 s MET 37 N -0.53 4.49 -0.05 1.61 -2.45 -0.16 -4.85 119.30 117.36 2wv6 s MET 37 Ca 0.08 1.37 0.06 0.00 -1.25 0.00 0.00 55.69 55.96 2wv6 s MET 37 Cb -0.09 -2.74 -0.01 0.00 1.25 0.00 0.00 34.83 33.24 2wv6 s MET 37 CO -0.01 0.18 -0.25 0.08 1.05 0.00 0.00 175.02 176.08 2wv6 s VAL 38 N -1.63 2.09 -0.05 10.11 1.01 -1.16 -1.40 120.40 129.38 2wv6 s VAL 38 Ca 0.52 -1.06 0.04 0.00 0.00 0.00 0.00 61.98 61.48 2wv6 s VAL 38 Cb -0.19 -1.75 0.00 0.00 0.00 0.00 0.00 36.38 34.44 2wv6 s VAL 38 CO 0.25 0.57 -0.15 -0.63 0.00 0.00 0.00 175.10 175.13 2wv6 s ILE 39 N -0.22 1.33 0.09 2.22 1.01 -0.03 -1.10 121.20 124.51 2wv6 s ILE 39 Ca -0.02 -0.64 0.10 0.00 0.00 0.00 0.00 60.65 60.09 2wv6 s ILE 39 Cb -0.13 -1.17 -0.04 0.00 0.01 0.00 0.00 42.46 41.14 2wv6 s ILE 39 CO 0.03 0.39 -0.27 0.27 0.00 0.00 0.00 174.94 175.37 2wv6 s ILE 40 N 0.25 2.22 0.05 2.92 -4.36 -0.19 -0.96 121.20 121.13 2wv6 s ILE 40 Ca -0.08 -1.60 0.03 0.00 -0.26 0.00 0.00 60.65 58.74 2wv6 s ILE 40 Cb -0.13 -1.94 -0.02 0.00 1.25 0.00 0.00 42.46 41.62 2wv6 s ILE 40 CO 0.03 0.20 -0.10 -0.44 0.24 0.00 0.00 174.94 174.88 2wv6 s SER 41 N -1.73 1.10 0.13 4.36 0.01 -0.49 -1.03 113.70 116.07 2wv6 s SER 41 Ca 0.13 -0.55 0.08 0.00 1.31 0.00 0.00 55.95 56.92 2wv6 s SER 41 Cb -0.10 0.00 -0.04 0.00 0.21 0.00 0.00 66.02 66.09 2wv6 s SER 41 CO 0.04 -0.15 -0.10 -0.36 0.41 0.00 0.00 173.24 173.08 2wv6 s PHE 42 N -1.29 2.69 0.25 2.43 0.40 -0.65 -0.20 117.98 121.60 2wv6 s PHE 42 Ca -0.07 -0.19 -0.30 0.00 -0.60 0.00 0.00 56.93 55.77 2wv6 s PHE 42 Cb -0.10 -1.38 -0.10 0.00 0.51 0.00 0.00 43.02 41.95 2wv6 s PHE 42 CO 0.01 0.45 1.48 0.00 0.70 0.00 0.00 175.22 177.85 2wv6 s ALA 43 N -1.37 3.66 -1.23 5.36 0.00 -1.26 -1.83 121.76 125.09 2wv6 s ALA 43 Ca 0.22 1.37 -0.08 0.00 0.00 0.00 0.00 51.96 53.47 2wv6 s ALA 43 Cb -0.10 -3.58 0.06 0.00 0.00 0.00 0.00 23.12 19.50 2wv6 s ALA 43 CO 0.14 -0.78 0.42 0.09 0.00 0.00 0.00 175.76 175.63 2wv6 n ASN 44 N 2.46 -3.64 0.00 0.00 3.02 -1.26 -4.83 115.26 111.01 2wv6 n ASN 44 Ca 0.08 -0.31 0.00 0.00 -0.03 0.00 0.00 54.58 54.31 2wv6 n ASN 44 Cb 0.40 -3.03 0.00 0.00 -0.61 0.00 0.00 39.78 36.54 2wv6 n ASN 44 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2wv6 n GLY 45 N -1.11 3.61 3.91 7.41 0.00 -0.76 -5.17 105.19 113.08 2wv6 n GLY 45 Ca -0.03 -0.90 -0.27 0.00 0.00 0.00 0.00 46.02 44.82 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 -1.26 3.32 -0.05 4.61 0.00 -1.26 -4.57 121.76 122.55 2wv6 s ALA 46 Ca 0.00 -0.57 0.06 0.00 0.00 0.00 0.00 51.96 51.45 2wv6 s ALA 46 Cb 0.00 -2.64 -0.01 0.00 0.00 0.00 0.00 23.12 20.47 2wv6 s ALA 46 CO 0.00 -0.63 -0.25 0.99 0.00 0.00 0.00 175.76 175.87 2wv6 s THR 47 N -2.92 2.09 0.08 0.00 2.01 -1.26 -1.64 115.64 114.00 2wv6 s THR 47 Ca 0.52 -1.07 0.02 0.00 0.31 0.00 0.00 61.69 61.47 2wv6 s THR 47 Cb -0.10 -1.75 -0.04 0.00 0.01 0.00 0.00 72.50 70.62 2wv6 s THR 47 CO 0.46 0.57 -0.07 -0.36 -0.69 0.00 0.00 174.62 174.53 2wv6 s PHE 48 N -0.29 0.80 0.28 4.92 0.08 -0.19 -4.17 117.98 119.41 2wv6 s PHE 48 Ca 0.00 -0.78 0.12 0.00 0.12 0.00 0.00 56.93 56.39 2wv6 s PHE 48 Cb -0.13 -0.47 -0.05 0.00 -0.57 0.00 0.00 43.02 41.80 2wv6 s PHE 48 CO 0.02 -0.13 -0.19 1.14 -0.10 0.00 0.00 175.22 175.96 2wv6 s GLN 49 N -3.06 1.67 -0.27 0.44 -2.07 0.14 -1.02 119.66 115.49 2wv6 s GLN 49 Ca 0.04 -1.77 -0.07 0.00 -1.82 0.00 0.00 55.36 51.75 2wv6 s GLN 49 Cb 0.00 -1.74 -0.01 0.00 -1.09 0.00 0.00 33.01 30.17 2wv6 s GLN 49 CO -0.03 0.32 0.07 0.08 -1.32 0.00 0.00 175.29 174.41 2wv6 s VAL 50 N -2.54 4.12 0.71 3.63 1.01 -0.25 -0.58 120.40 126.51 2wv6 s VAL 50 Ca 0.30 -0.40 -0.11 0.00 0.00 0.00 0.00 61.98 61.76 2wv6 s VAL 50 Cb -0.05 -3.01 0.02 0.00 0.00 0.00 0.00 36.38 33.35 2wv6 s VAL 50 CO 0.15 0.24 1.10 -1.83 0.00 0.00 0.00 175.10 174.75 2wv6 s GLU 51 N 1.56 2.80 -0.23 2.72 -1.05 -1.26 -2.98 118.70 120.26 2wv6 s GLU 51 Ca 0.05 0.44 -0.04 0.00 -0.15 0.00 0.00 54.97 55.27 2wv6 s GLU 51 Cb -0.16 -2.02 -0.01 0.00 -0.44 0.00 0.00 34.13 31.51 2wv6 s GLU 51 CO 0.03 -1.08 -0.04 0.08 0.95 0.00 0.00 175.26 175.21 2wv6 s VAL 52 N -3.37 3.39 0.00 1.83 1.01 -1.26 -4.94 120.40 117.05 2wv6 s VAL 52 Ca 0.58 -0.53 0.00 0.00 0.00 0.00 0.00 61.98 62.04 2wv6 s VAL 52 Cb -0.11 -2.56 0.00 0.00 0.00 0.00 0.00 36.38 33.71 2wv6 s VAL 52 CO 0.52 0.39 0.00 0.29 0.00 0.00 0.00 175.10 176.30 2wv6 n LYS 62 N 4.80 0.03 -0.11 2.72 5.02 -1.26 -5.16 118.16 124.19 2wv6 n LYS 62 Ca -0.18 0.00 -0.11 0.00 -2.02 0.00 0.00 58.31 56.01 2wv6 n LYS 62 Cb 0.50 -0.75 -0.03 0.00 -0.02 0.00 0.00 35.03 34.74 2wv6 n LYS 62 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2wv6 h ARG 63 N 0.00 0.58 -0.92 1.97 2.47 -2.05 -2.86 114.38 113.57 2wv6 h ARG 63 Ca 0.00 -0.18 0.03 0.00 -1.26 0.00 0.00 59.98 58.58 2wv6 h ARG 63 Cb 0.50 -0.06 -0.05 0.00 -1.65 0.00 0.00 29.97 28.72 2wv6 h ARG 63 CO 0.00 0.70 0.60 -1.35 0.56 0.00 0.00 179.97 180.48 2wv6 h PRO 64 N 0.40 1.12 -0.31 0.04 0.11 -2.05 -1.47 132.00 129.83 2wv6 h PRO 64 Ca 0.10 -0.07 -0.04 0.00 0.11 0.00 0.00 66.00 66.10 2wv6 h PRO 64 Cb 0.42 -0.25 -0.02 0.00 0.11 0.00 0.00 31.00 31.27 2wv6 h PRO 64 CO 0.01 0.74 0.02 -0.07 -0.21 0.00 0.00 178.00 178.50 2wv6 h LEU 65 N 1.16 0.42 -0.68 2.35 3.38 -1.92 -2.36 115.31 117.65 2wv6 h LEU 65 Ca 0.36 -0.07 -0.09 0.00 0.09 0.00 0.00 57.88 58.17 2wv6 h LEU 65 Cb 0.01 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 2wv6 h LEU 65 CO -0.11 0.48 -0.01 -0.33 0.09 0.00 0.00 178.44 178.56 2wv6 h GLU 66 N 0.45 1.01 -0.39 1.13 4.39 -1.10 -1.91 114.58 118.16 2wv6 h GLU 66 Ca 0.10 -0.31 -0.01 0.00 0.34 0.00 0.00 59.36 59.48 2wv6 h GLU 66 Cb 0.26 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 28.80 2wv6 h GLU 66 CO 0.00 1.00 0.20 -0.09 -1.16 0.00 0.00 179.01 178.96 2wv6 h ARG 67 N 0.93 0.55 -0.70 2.33 2.43 -0.92 -1.75 114.38 117.24 2wv6 h ARG 67 Ca 0.17 -0.07 0.05 0.00 -0.81 0.00 0.00 59.98 59.31 2wv6 h ARG 67 Cb 0.55 -0.10 -0.05 0.00 -0.42 0.00 0.00 29.97 29.94 2wv6 h ARG 67 CO 0.03 0.47 0.42 1.98 -1.51 0.00 0.00 179.97 181.36 2wv6 h MET 68 N 0.49 0.77 -0.87 0.20 4.05 -1.35 -0.00 114.93 118.22 2wv6 h MET 68 Ca 0.13 -0.05 0.02 0.00 -0.28 0.00 0.00 59.70 59.53 2wv6 h MET 68 Cb 0.09 -0.17 -0.05 0.00 -0.80 0.00 0.00 31.60 30.67 2wv6 h MET 68 CO -0.02 0.51 0.57 0.87 0.23 0.00 0.00 176.91 179.07 2wv6 h LYS 69 N 0.79 1.09 -0.43 0.39 1.57 -1.09 -0.90 116.57 117.99 2wv6 h LYS 69 Ca 0.30 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 58.99 2wv6 h LYS 69 Cb 0.11 -0.25 -0.02 0.00 0.08 0.00 0.00 32.23 32.15 2wv6 h LYS 69 CO -0.15 0.72 0.18 -0.44 -0.57 0.00 0.00 179.45 179.20 2wv6 h ASP 70 N 1.13 0.58 -0.40 0.86 3.32 -0.85 -1.09 116.42 119.97 2wv6 h ASP 70 Ca 0.33 -0.15 0.00 0.00 0.02 0.00 0.00 57.03 57.23 2wv6 h ASP 70 Cb -0.05 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.33 2wv6 h ASP 70 CO -0.10 0.57 0.25 0.74 -1.72 0.00 0.00 179.24 178.99 2wv6 h THR 71 N 0.54 1.11 -0.33 0.35 2.02 -0.55 -1.65 112.91 114.41 2wv6 h THR 71 Ca 0.14 -0.22 -0.10 0.00 0.77 0.00 0.00 66.41 67.00 2wv6 h THR 71 Cb 0.16 0.55 -0.01 0.00 -1.74 0.00 0.00 68.15 67.11 2wv6 h THR 71 CO -0.01 0.11 -0.21 -0.07 0.37 0.00 0.00 175.52 175.71 2wv6 h LEU 72 N 0.53 0.63 -0.21 2.58 3.38 -1.02 -0.81 115.31 120.40 2wv6 h LEU 72 Ca 0.14 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 2wv6 h LEU 72 Cb -0.04 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 2wv6 h LEU 72 CO -0.03 0.84 0.09 -0.09 0.09 0.00 0.00 178.44 179.34 2wv6 h ARG 73 N 0.56 0.31 -0.67 1.13 2.43 -1.04 -1.53 114.38 115.56 2wv6 h ARG 73 Ca 0.09 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 2wv6 h ARG 73 Cb 0.66 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 30.12 2wv6 h ARG 73 CO 0.05 0.34 0.43 0.00 -1.51 0.00 0.00 179.97 179.28 2wv6 h ALA 74 N 0.95 0.86 -0.53 2.80 0.00 -1.12 -1.30 119.26 120.92 2wv6 h ALA 74 Ca 0.07 -0.06 0.05 0.00 0.00 0.00 0.00 54.91 54.97 2wv6 h ALA 74 Cb 0.14 -0.27 -0.05 0.00 0.00 0.00 0.00 17.79 17.61 2wv6 h ALA 74 CO -0.01 0.30 0.26 0.00 0.00 0.00 0.00 179.25 179.80 2wv6 h ALA 75 N 1.23 0.68 0.02 0.00 0.00 -1.00 -1.67 119.26 118.52 2wv6 h ALA 75 Ca 0.24 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.19 2wv6 h ALA 75 Cb -0.08 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.66 2wv6 h ALA 75 CO -0.05 -0.10 -0.01 -0.92 0.00 0.00 0.00 179.25 178.17 2wv6 h TYR 76 N 0.50 -0.02 -0.49 0.00 3.20 -0.67 -0.65 116.97 118.83 2wv6 h TYR 76 Ca 0.24 -0.00 -0.05 0.00 3.14 0.00 0.00 58.73 62.06 2wv6 h TYR 76 Cb 0.18 0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.43 2wv6 h TYR 76 CO -0.11 0.05 0.11 0.74 -1.64 0.00 0.00 178.16 177.31 2wv6 h PHE 77 N -0.08 0.77 0.00 -3.82 -1.00 -1.08 -2.86 116.94 108.88 2wv6 h PHE 77 Ca -0.00 -0.07 0.00 0.00 2.81 0.00 0.00 57.97 60.71 2wv6 h PHE 77 Cb 0.08 -0.23 0.00 0.00 3.61 0.00 0.00 35.95 39.41 2wv6 h PHE 77 CO -0.06 0.66 -0.52 0.25 -1.61 0.00 0.00 178.31 177.04 2wv6 n THR 78 N -4.28 0.08 -1.44 -1.55 -2.24 -0.64 -4.95 114.28 99.25 2wv6 n THR 78 Ca 0.03 -0.06 -0.13 0.00 -2.27 0.00 0.00 64.05 61.62 2wv6 n THR 78 Cb 0.22 0.13 -0.05 0.00 -2.10 0.00 0.00 70.33 68.53 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 1.46 1.32 3.77 3.38 0.00 -0.27 -4.99 105.19 109.87 2wv6 n GLY 79 Ca 0.05 -0.40 -0.36 0.00 0.00 0.00 0.00 46.02 45.32 2wv6 n GLY 79 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2wv6 s ILE 80 N -2.51 3.20 0.15 -0.61 -5.25 -1.10 -4.79 121.20 110.29 2wv6 s ILE 80 Ca 0.00 0.82 -0.30 0.00 -0.99 0.00 0.00 60.65 60.17 2wv6 s ILE 80 Cb 0.00 -3.37 -0.08 0.00 2.95 0.00 0.00 42.46 41.96 2wv6 s ILE 80 CO 0.00 -0.09 1.29 -0.54 -1.79 0.00 0.00 174.94 173.81 2wv6 s LYS 81 N -3.00 4.40 -0.24 0.37 1.02 -1.26 -4.39 119.74 116.64 2wv6 s LYS 81 Ca 0.68 1.98 -0.23 0.00 0.02 0.00 0.00 55.97 58.42 2wv6 s LYS 81 Cb -0.25 -3.24 -0.01 0.00 -0.52 0.00 0.00 37.83 33.81 2wv6 s LYS 81 CO 0.30 -0.27 0.76 0.08 -0.92 0.00 0.00 175.35 175.29 2wv6 s VAL 82 N 0.49 4.90 -0.07 3.17 1.01 -0.22 -4.42 120.40 125.26 2wv6 s VAL 82 Ca 0.58 1.42 -0.01 0.00 0.00 0.00 0.00 61.98 63.97 2wv6 s VAL 82 Cb -0.35 -4.05 -0.01 0.00 0.00 0.00 0.00 36.38 31.97 2wv6 s VAL 82 CO 0.34 -0.02 0.06 -1.28 0.00 0.00 0.00 175.10 174.20 2wv6 h SER 83 N 7.71 -0.04 -4.64 3.32 0.87 -1.46 0.28 113.55 119.58 2wv6 h SER 83 Ca -0.25 0.00 -0.30 0.00 -1.23 0.00 0.00 61.79 60.02 2wv6 h SER 83 Cb 1.11 0.01 -0.20 0.00 -0.44 0.00 0.00 62.40 62.88 2wv6 h SER 83 CO 0.83 0.34 -0.74 -0.54 -0.53 0.00 0.00 176.83 176.20 2wv6 s LYS 84 N -1.58 0.66 -0.01 2.24 1.02 -1.00 -0.30 119.74 120.76 2wv6 s LYS 84 Ca -0.01 -0.92 0.06 0.00 0.02 0.00 0.00 55.97 55.12 2wv6 s LYS 84 Cb 0.00 -0.40 -0.02 0.00 -0.52 0.00 0.00 37.83 36.90 2wv6 s LYS 84 CO 0.02 0.07 -0.19 -0.51 -0.92 0.00 0.00 175.35 173.82 2wv6 s LEU 85 N -1.93 2.04 -0.23 3.17 1.43 -0.34 -0.92 118.68 121.91 2wv6 s LEU 85 Ca -0.04 -0.35 -0.09 0.00 -1.03 0.00 0.00 54.13 52.62 2wv6 s LEU 85 Cb -0.07 -0.97 -0.04 0.00 0.03 0.00 0.00 46.19 45.14 2wv6 s LEU 85 CO -0.00 0.23 0.11 0.00 0.23 0.00 0.00 176.35 176.92 2wv6 s VAL 87 N 1.08 0.70 -0.12 0.00 -7.23 -0.50 -0.17 120.40 114.16 2wv6 s VAL 87 Ca 0.06 -0.86 -0.30 0.00 -1.81 0.00 0.00 61.98 59.07 2wv6 s VAL 87 Cb -0.14 -0.68 -0.02 0.00 0.56 0.00 0.00 36.38 36.09 2wv6 s VAL 87 CO 0.04 -0.14 1.27 0.26 -0.31 0.00 0.00 175.10 176.21 2wv6 s TRP 88 N -0.92 2.92 -1.26 2.82 0.51 0.89 -1.20 118.94 122.70 2wv6 s TRP 88 Ca -0.03 1.03 0.13 0.00 -2.12 0.00 0.00 56.10 55.10 2wv6 s TRP 88 Cb -0.07 -3.50 0.51 0.00 -0.81 0.00 0.00 33.47 29.59 2wv6 s TRP 88 CO 0.01 -1.71 1.37 0.27 -0.51 0.00 0.00 176.95 176.37 2wv6 n ASN 89 N 6.10 3.49 -0.88 2.95 2.04 -0.13 -2.37 115.26 126.46 2wv6 n ASN 89 Ca 0.13 -2.31 0.02 0.00 -0.44 0.00 0.00 54.58 51.98 2wv6 n ASN 89 Cb 0.45 -0.48 0.21 0.00 -2.53 0.00 0.00 39.78 37.43 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 0.72 2.82 -4.28 0.53 6.94 -1.26 -4.98 115.26 115.76 2wv6 n ASN 90 Ca 0.18 -3.46 -0.18 0.00 -0.02 0.00 0.00 54.58 51.10 2wv6 n ASN 90 Cb 0.66 -0.57 -0.11 0.00 -2.36 0.00 0.00 39.78 37.41 2wv6 n ASN 90 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 2wv6 s LYS 91 N -3.07 1.14 -0.11 -3.83 -0.14 -1.25 -5.08 119.74 107.40 2wv6 s LYS 91 Ca 0.42 -1.40 -0.01 0.00 -1.36 0.00 0.00 55.97 53.62 2wv6 s LYS 91 Cb 0.37 -0.95 0.03 0.00 -1.68 0.00 0.00 37.83 35.60 2wv6 s LYS 91 CO 0.02 0.16 -0.07 0.99 -0.76 0.00 0.00 175.35 175.70 2wv6 s THR 92 N -2.63 0.96 1.18 2.17 2.01 -1.26 -2.63 115.64 115.43 2wv6 s THR 92 Ca 0.15 -0.25 -0.14 0.00 0.31 0.00 0.00 61.69 61.76 2wv6 s THR 92 Cb -0.02 -1.00 0.27 0.00 0.01 0.00 0.00 72.50 71.76 2wv6 s THR 92 CO 0.04 0.35 0.86 -0.81 -0.69 0.00 0.00 174.62 174.37 2wv6 n PRO 93 N 4.96 -2.44 -1.62 4.92 -0.05 -1.26 -5.04 135.00 134.48 2wv6 n PRO 93 Ca -0.12 -0.68 -0.39 0.00 -0.05 0.00 0.00 63.50 62.26 2wv6 n PRO 93 Cb 0.50 -2.09 0.03 0.00 -0.05 0.00 0.00 33.50 31.89 2wv6 n PRO 93 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 175.50 175.54 2wv6 n ASN 94 N -4.51 1.08 -4.52 3.54 5.03 -1.08 -4.46 115.26 110.35 2wv6 n ASN 94 Ca 0.02 0.91 -0.34 0.00 0.87 0.00 0.00 54.58 56.04 2wv6 n ASN 94 Cb 0.55 -1.38 -0.12 0.00 -1.02 0.00 0.00 39.78 37.81 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 -1.00 4.91 -0.13 6.41 0.15 -1.00 -0.69 113.70 122.36 2wv6 s SER 95 Ca 0.70 -0.10 -0.29 0.00 0.70 0.00 0.00 55.95 56.95 2wv6 s SER 95 Cb -0.47 -1.81 -0.01 0.00 -1.71 0.00 0.00 66.02 62.02 2wv6 s SER 95 CO 0.52 0.17 1.11 -0.63 1.20 0.00 0.00 173.24 175.60 2wv6 s ILE 96 N 0.38 4.54 -0.20 6.45 1.01 0.26 -0.08 121.20 133.56 2wv6 s ILE 96 Ca -0.03 1.84 0.16 0.00 0.00 0.00 0.00 60.65 62.63 2wv6 s ILE 96 Cb -0.14 -4.19 -0.24 0.00 0.01 0.00 0.00 42.46 37.90 2wv6 s ILE 96 CO 0.03 -0.07 0.05 0.00 0.00 0.00 0.00 174.94 174.95 2wv6 n ALA 97 N 5.65 1.49 -3.36 9.38 0.00 0.76 -4.86 120.51 129.56 2wv6 n ALA 97 Ca 0.11 -1.31 -0.14 0.00 0.00 0.00 0.00 53.44 52.10 2wv6 n ALA 97 Cb 0.47 -0.18 -0.05 0.00 0.00 0.00 0.00 19.45 19.68 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 -2.49 -1.44 -0.01 0.00 0.00 -1.06 -4.98 121.76 111.78 2wv6 s ALA 98 Ca -0.12 0.72 0.01 0.00 0.00 0.00 0.00 51.96 52.56 2wv6 s ALA 98 Cb 0.06 0.37 0.00 0.00 0.00 0.00 0.00 23.12 23.56 2wv6 s ALA 98 CO 0.81 -0.51 -0.04 -1.50 0.00 0.00 0.00 175.76 174.51 2wv6 s ILE 99 N -2.37 0.36 -0.15 0.00 2.07 -1.26 -1.56 121.20 118.29 2wv6 s ILE 99 Ca -0.06 -0.16 -0.01 0.00 -1.41 0.00 0.00 60.65 59.02 2wv6 s ILE 99 Cb -0.01 -0.33 -0.01 0.00 0.13 0.00 0.00 42.46 42.24 2wv6 s ILE 99 CO -0.01 0.12 -0.11 -0.70 -1.91 0.00 0.00 174.94 172.33 2wv6 s GLU 100 N 0.12 3.39 -0.13 3.50 2.12 -0.10 -5.01 118.70 122.60 2wv6 s GLU 100 Ca -0.01 -0.67 -0.00 0.00 0.36 0.00 0.00 54.97 54.65 2wv6 s GLU 100 Cb -0.04 -2.74 -0.02 0.00 0.26 0.00 0.00 34.13 31.59 2wv6 s GLU 100 CO -0.00 0.10 -0.11 -0.51 -0.54 0.00 0.00 175.26 174.19 2wv6 s LEU 101 N 0.65 2.82 -0.05 2.70 1.43 -1.26 -1.22 118.68 123.75 2wv6 s LEU 101 Ca -0.06 -0.27 -0.04 0.00 -1.03 0.00 0.00 54.13 52.73 2wv6 s LEU 101 Cb -0.15 -1.64 0.02 0.00 0.03 0.00 0.00 46.19 44.45 2wv6 s LEU 101 CO 0.02 0.19 0.13 -0.55 0.23 0.00 0.00 176.35 176.37 2wv6 s SER 102 N 0.22 -0.12 0.00 2.29 0.15 -1.26 -4.94 113.70 110.04 2wv6 s SER 102 Ca -0.07 0.27 0.26 0.00 0.70 0.00 0.00 55.95 57.10 2wv6 s SER 102 Cb -0.15 0.23 0.56 0.00 -1.71 0.00 0.00 66.02 64.95 2wv6 s SER 102 CO 0.05 -0.08 1.47 -3.20 1.20 0.00 0.00 173.24 172.68