#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wrl n PHE 12 N 0.00 0.00 0.00 5.58 1.16 -1.26 -4.89 117.46 118.05 2wrl n PHE 12 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.58 2wrl n PHE 12 Cb 0.00 -0.00 0.00 0.00 -1.61 0.00 0.00 39.48 37.87 2wrl n PHE 12 CO 0.00 0.00 0.00 2.89 -1.87 0.00 0.00 176.76 177.78 2wrl n ARG 13 N 0.46 0.00 0.00 3.97 1.85 -1.26 -4.71 116.66 116.98 2wrl n ARG 13 Ca 0.17 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 57.02 2wrl n ARG 13 Cb 0.42 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.83 2wrl n ARG 13 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 177.63 177.90 2wrl n VAL 14 N 0.00 0.00 -2.54 8.89 0.31 -1.26 -4.80 118.33 118.93 2wrl n VAL 14 Ca 0.00 0.00 -0.04 0.00 -0.01 0.00 0.00 64.34 64.29 2wrl n VAL 14 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 2wrl n VAL 14 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2wrl n ARG 15 N 0.00 -0.25 -0.01 5.55 1.74 -1.26 -4.75 116.66 117.68 2wrl n ARG 15 Ca 0.00 0.13 0.09 0.00 -0.77 0.00 0.00 57.85 57.29 2wrl n ARG 15 Cb 0.00 -0.34 -0.13 0.00 -1.02 0.00 0.00 32.46 30.97 2wrl n ARG 15 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 2wrl n ASN 16 N 0.11 0.95 0.00 0.55 0.23 -1.26 -4.06 115.26 111.78 2wrl n ASN 16 Ca -0.05 -0.20 0.04 0.00 -0.53 0.00 0.00 54.58 53.85 2wrl n ASN 16 Cb 0.11 1.62 0.23 0.00 -2.08 0.00 0.00 39.78 39.66 2wrl n ASN 16 CO 0.00 0.00 0.00 -2.11 -0.93 0.00 0.00 177.26 174.22 2wrl n ARG 17 N -1.95 0.11 0.00 -3.83 1.85 -1.26 0.14 116.66 111.71 2wrl n ARG 17 Ca -0.02 0.22 0.11 0.00 -1.00 0.00 0.00 57.85 57.16 2wrl n ARG 17 Cb 0.41 -1.50 0.65 0.00 -1.05 0.00 0.00 32.46 30.97 2wrl n ARG 17 CO 0.00 0.00 0.00 -0.89 -0.01 0.00 0.00 177.63 176.73 2wrl n ILE 18 N -1.32 0.00 -0.13 8.89 5.41 -1.26 -2.41 119.36 128.54 2wrl n ILE 18 Ca 0.04 0.00 -0.04 0.00 1.00 0.00 0.00 62.75 63.75 2wrl n ILE 18 Cb 0.08 -0.41 0.17 0.00 -0.71 0.00 0.00 39.64 38.77 2wrl n ILE 18 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72 2wrl n LYS 19 N -0.87 2.50 -3.28 0.38 4.81 0.12 -4.86 118.16 116.97 2wrl n LYS 19 Ca 0.16 -1.71 -0.42 0.00 -0.87 0.00 0.00 58.31 55.48 2wrl n LYS 19 Cb 0.07 -1.80 -0.08 0.00 0.02 0.00 0.00 35.03 33.24 2wrl n LYS 19 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 2wrl s ARG 20 N -1.90 3.35 -0.30 1.64 1.81 -1.01 -4.97 118.95 117.56 2wrl s ARG 20 Ca 0.31 -0.47 0.04 0.00 -1.72 0.00 0.00 55.73 53.88 2wrl s ARG 20 Cb 0.25 -3.89 0.18 0.00 -0.45 0.00 0.00 34.95 31.03 2wrl s ARG 20 CO 0.08 -0.77 0.48 0.99 -0.68 0.00 0.00 175.30 175.40 2wrl s THR 21 N 2.30 -0.77 0.00 0.02 2.01 -1.26 -4.88 115.64 113.06 2wrl s THR 21 Ca 0.16 -0.21 0.00 0.00 0.31 0.00 0.00 61.69 61.95 2wrl s THR 21 Cb -0.16 -0.92 0.00 0.00 0.01 0.00 0.00 72.50 71.43 2wrl s THR 21 CO 0.14 -0.18 0.00 0.61 -0.69 0.00 0.00 174.62 174.50 2wrl n GLY 22 N 5.26 0.00 0.28 4.40 0.00 -1.26 -5.14 105.19 108.73 2wrl n GLY 22 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 2wrl n GLY 22 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wrl n ARG 23 N 0.00 0.00 -3.04 1.61 1.74 -1.26 -4.93 116.66 110.78 2wrl n ARG 23 Ca 0.00 0.00 -0.14 0.00 -0.77 0.00 0.00 57.85 56.94 2wrl n ARG 23 Cb 0.00 -0.28 0.01 0.00 -1.02 0.00 0.00 32.46 31.17 2wrl n ARG 23 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2wrl n LEU 24 N -1.33 -6.01 -4.87 0.55 7.99 -1.26 -4.59 117.00 107.48 2wrl n LEU 24 Ca 0.00 0.51 -0.30 0.00 -0.01 0.00 0.00 56.01 56.21 2wrl n LEU 24 Cb 0.48 -2.71 0.18 0.00 -0.11 0.00 0.00 43.42 41.26 2wrl n LEU 24 CO 0.00 -1.80 0.82 -0.60 -1.51 0.00 0.00 177.39 174.30 2wrl s ARG 25 N -2.19 0.60 -0.46 3.23 3.52 -0.45 -2.50 118.95 120.71 2wrl s ARG 25 Ca 0.21 -0.23 0.06 0.00 -0.13 0.00 0.00 55.73 55.64 2wrl s ARG 25 Cb -0.04 -1.82 0.21 0.00 -1.56 0.00 0.00 34.95 31.74 2wrl s ARG 25 CO 0.71 -2.47 0.64 -0.11 -0.81 0.00 0.00 175.30 173.26 2wrl n LEU 26 N -3.85 -1.78 -4.60 -0.88 0.00 -1.08 -3.17 117.00 101.66 2wrl n LEU 26 Ca 0.13 -3.78 -0.29 0.00 0.00 0.00 0.00 56.01 52.08 2wrl n LEU 26 Cb 0.60 0.71 0.21 0.00 0.00 0.00 0.00 43.42 44.93 2wrl n LEU 26 CO 0.48 1.97 0.59 -0.44 0.00 0.00 0.00 177.39 179.99 2wrl s SER 27 N -0.53 1.98 0.02 1.96 0.01 -1.23 -2.61 113.70 113.30 2wrl s SER 27 Ca 0.32 1.45 -0.00 0.00 1.31 0.00 0.00 55.95 59.04 2wrl s SER 27 Cb 0.11 -2.16 0.00 0.00 0.21 0.00 0.00 66.02 64.19 2wrl s SER 27 CO -0.15 -3.57 0.03 0.52 0.41 0.00 0.00 173.24 170.48 2wrl n VAL 28 N -4.49 0.00 -3.20 3.43 0.31 -1.26 -2.25 118.33 110.86 2wrl n VAL 28 Ca 0.05 -0.10 0.04 0.00 -0.01 0.00 0.00 64.34 64.32 2wrl n VAL 28 Cb 0.55 0.07 -0.03 0.00 -0.91 0.00 0.00 33.84 33.52 2wrl n VAL 28 CO 0.00 0.00 0.00 0.12 -1.32 0.00 0.00 176.83 175.63 2wrl s PHE 29 N -5.05 -0.39 -1.03 3.52 5.99 -1.10 -4.74 117.98 115.18 2wrl s PHE 29 Ca 0.02 0.51 -0.14 0.00 0.00 0.00 0.00 56.93 57.31 2wrl s PHE 29 Cb -0.00 0.17 0.20 0.00 0.00 0.00 0.00 43.02 43.39 2wrl s PHE 29 CO 0.01 -0.20 1.13 0.50 -0.00 0.00 0.00 175.22 176.66 2wrl s ARG 30 N 2.66 3.89 0.55 10.12 6.06 -1.26 -1.24 118.95 139.72 2wrl s ARG 30 Ca -0.02 -2.50 -0.20 0.00 -2.50 0.00 0.00 55.73 50.51 2wrl s ARG 30 Cb -0.07 -4.77 -0.05 0.00 0.06 0.00 0.00 34.95 30.12 2wrl s ARG 30 CO -0.13 -1.54 1.22 0.45 -2.50 0.00 0.00 175.30 172.80 2wrl s SER 31 N 2.53 5.48 0.19 -2.12 0.15 -0.70 -4.88 113.70 114.35 2wrl s SER 31 Ca 0.32 2.43 -0.12 0.00 0.70 0.00 0.00 55.95 59.28 2wrl s SER 31 Cb -0.07 -2.61 0.20 0.00 -1.71 0.00 0.00 66.02 61.84 2wrl s SER 31 CO -0.06 -1.40 1.76 -0.07 1.20 0.00 0.00 173.24 174.67 2wrl h LEU 32 N 1.30 0.25 0.00 3.45 3.38 -2.05 -3.31 115.31 118.34 2wrl h LEU 32 Ca -0.50 0.06 -0.00 0.00 0.09 0.00 0.00 57.88 57.53 2wrl h LEU 32 Cb 1.28 0.03 0.00 0.00 0.09 0.00 0.00 40.66 42.06 2wrl h LEU 32 CO 0.57 0.17 -0.00 0.50 0.09 0.00 0.00 178.44 179.76 2wrl h LYS 33 N 0.41 -0.00 0.00 1.13 3.64 -2.01 -3.49 116.57 116.25 2wrl h LYS 33 Ca 0.26 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.64 2wrl h LYS 33 Cb 0.27 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.09 2wrl h LYS 33 CO -0.24 -0.00 0.00 0.72 -2.27 0.00 0.00 179.45 177.66 2wrl n HIS 34 N -3.27 0.00 -3.67 1.91 8.25 -1.25 -4.99 115.22 112.21 2wrl n HIS 34 Ca -0.00 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.37 2wrl n HIS 34 Cb 0.00 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.02 2wrl n HIS 34 CO 0.00 0.00 0.00 -1.50 0.64 0.00 0.00 176.34 175.48 2wrl s ILE 35 N 1.83 -0.05 0.50 1.59 2.07 -1.26 -1.72 121.20 124.15 2wrl s ILE 35 Ca 0.00 0.06 0.02 0.00 -1.41 0.00 0.00 60.65 59.32 2wrl s ILE 35 Cb 0.00 -0.78 0.02 0.00 0.13 0.00 0.00 42.46 41.83 2wrl s ILE 35 CO 0.00 0.02 0.17 -1.22 -1.91 0.00 0.00 174.94 172.00 2wrl n TYR 36 N 4.34 0.35 0.00 3.50 4.02 -0.37 -1.89 117.16 127.10 2wrl n TYR 36 Ca -0.21 -2.29 0.00 0.00 -0.01 0.00 0.00 57.90 55.39 2wrl n TYR 36 Cb 0.56 -0.36 0.00 0.00 -0.02 0.00 0.00 39.34 39.52 2wrl n TYR 36 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2wrl n ALA 37 N -1.67 0.00 -3.01 -0.72 0.00 -1.22 -2.70 120.51 111.18 2wrl n ALA 37 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.26 2wrl n ALA 37 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.05 2wrl n ALA 37 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2wrl n GLN 38 N -0.82 1.86 -3.32 0.00 6.02 -0.95 -2.50 117.38 117.68 2wrl n GLN 38 Ca 0.00 0.00 -0.08 0.00 -0.01 0.00 0.00 57.00 56.91 2wrl n GLN 38 Cb 0.00 0.00 -0.07 0.00 1.02 0.00 0.00 30.24 31.19 2wrl n GLN 38 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2wrl s ILE 39 N -0.09 -0.64 0.35 5.09 1.01 -1.25 -3.50 121.20 122.15 2wrl s ILE 39 Ca 0.00 -0.14 0.09 0.00 0.00 0.00 0.00 60.65 60.60 2wrl s ILE 39 Cb 0.00 -0.89 -0.05 0.00 0.01 0.00 0.00 42.46 41.53 2wrl s ILE 39 CO 0.00 -0.17 0.03 -0.63 0.00 0.00 0.00 174.94 174.17 2wrl s ILE 40 N 2.57 2.63 -0.08 2.92 1.01 -1.19 -0.52 121.20 128.53 2wrl s ILE 40 Ca 0.12 -1.93 -0.03 0.00 0.00 0.00 0.00 60.65 58.81 2wrl s ILE 40 Cb -0.14 -2.83 0.05 0.00 0.01 0.00 0.00 42.46 39.54 2wrl s ILE 40 CO -0.21 -0.18 0.16 -0.62 0.00 0.00 0.00 174.94 174.09 2wrl s ASP 41 N -3.74 0.60 1.07 3.58 2.15 -1.10 -1.34 116.67 117.90 2wrl s ASP 41 Ca 0.35 0.34 -0.17 0.00 0.43 0.00 0.00 52.55 53.50 2wrl s ASP 41 Cb 0.00 0.27 0.24 0.00 -0.30 0.00 0.00 42.92 43.13 2wrl s ASP 41 CO 0.20 -0.23 1.20 0.47 -0.17 0.00 0.00 175.17 176.64 2wrl n ASP 42 N 5.15 -0.57 0.00 -0.34 9.92 -1.26 0.88 116.55 130.32 2wrl n ASP 42 Ca -0.08 -1.36 0.00 0.00 -0.53 0.00 0.00 54.79 52.82 2wrl n ASP 42 Cb 0.50 -0.97 0.00 0.00 -0.64 0.00 0.00 41.12 40.01 2wrl n ASP 42 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 2wrl n GLU 43 N -4.01 0.00 0.00 -1.24 1.02 -1.26 -3.87 120.64 111.28 2wrl n GLU 43 Ca 0.15 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.29 2wrl n GLU 43 Cb 0.56 -1.22 0.00 0.00 -0.02 0.00 0.00 31.44 30.75 2wrl n GLU 43 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2wrl n LYS 44 N -1.91 2.91 -4.00 3.49 4.76 -1.24 -5.06 118.16 117.10 2wrl n LYS 44 Ca 0.00 0.00 -0.36 0.00 -2.87 0.00 0.00 58.31 55.08 2wrl n LYS 44 Cb 0.00 -0.62 -0.00 0.00 -1.84 0.00 0.00 35.03 32.57 2wrl n LYS 44 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2wrl n GLY 45 N 0.81 -0.63 3.24 0.72 0.00 0.25 -4.97 105.19 104.62 2wrl n GLY 45 Ca 0.00 0.30 -0.25 0.00 0.00 0.00 0.00 46.02 46.08 2wrl n GLY 45 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wrl s VAL 46 N -3.75 1.60 -0.51 1.61 1.01 -0.96 -4.93 120.40 114.48 2wrl s VAL 46 Ca 0.31 -1.22 -0.27 0.00 0.00 0.00 0.00 61.98 60.80 2wrl s VAL 46 Cb -0.15 -1.41 0.03 0.00 0.00 0.00 0.00 36.38 34.85 2wrl s VAL 46 CO 0.94 0.15 1.05 -0.89 0.00 0.00 0.00 175.10 176.34 2wrl s THR 47 N -0.85 4.28 -0.80 3.92 2.01 -1.26 -2.72 115.64 120.21 2wrl s THR 47 Ca 0.07 0.85 0.26 0.00 0.31 0.00 0.00 61.69 63.18 2wrl s THR 47 Cb -0.09 -4.57 0.15 0.00 0.01 0.00 0.00 72.50 68.00 2wrl s THR 47 CO 0.02 -1.04 1.59 0.18 -0.69 0.00 0.00 174.62 174.67 2wrl n LEU 48 N 7.70 0.57 -3.87 4.42 4.32 0.32 -4.94 117.00 125.52 2wrl n LEU 48 Ca 0.08 0.35 -0.10 0.00 -0.02 0.00 0.00 56.01 56.31 2wrl n LEU 48 Cb 0.49 -0.29 0.01 0.00 -1.62 0.00 0.00 43.42 42.00 2wrl n LEU 48 CO 0.68 -0.05 0.45 -0.69 -1.22 0.00 0.00 177.39 176.56 2wrl s VAL 49 N -3.09 0.00 -0.27 4.08 1.01 -1.22 -5.00 120.40 115.92 2wrl s VAL 49 Ca 0.10 -1.14 -0.27 0.00 0.00 0.00 0.00 61.98 60.67 2wrl s VAL 49 Cb 0.15 -2.90 0.17 0.00 0.00 0.00 0.00 36.38 33.80 2wrl s VAL 49 CO 0.64 0.00 1.26 -0.94 0.00 0.00 0.00 175.10 176.07 2wrl s SER 50 N -3.12 -0.18 -0.30 3.32 1.04 -1.26 -3.92 113.70 109.28 2wrl s SER 50 Ca 0.19 0.28 -0.13 0.00 0.48 0.00 0.00 55.95 56.77 2wrl s SER 50 Cb -0.04 0.26 0.16 0.00 0.10 0.00 0.00 66.02 66.51 2wrl s SER 50 CO 0.14 -0.11 0.94 0.00 0.98 0.00 0.00 173.24 175.19 2wrl s ALA 51 N -0.44 -2.68 0.00 5.32 0.00 -1.04 -4.85 121.76 118.06 2wrl s ALA 51 Ca 0.05 2.01 0.00 0.00 0.00 0.00 0.00 51.96 54.02 2wrl s ALA 51 Cb -0.03 -2.07 0.00 0.00 0.00 0.00 0.00 23.12 21.02 2wrl s ALA 51 CO -0.09 -1.02 0.00 0.43 0.00 0.00 0.00 175.76 175.08 2wrl n SER 52 N 5.10 0.28 0.00 0.00 7.64 -1.26 -3.43 113.62 121.95 2wrl n SER 52 Ca -0.09 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.79 2wrl n SER 52 Cb 0.52 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.72 2wrl n SER 52 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2wrl n SER 53 N 0.00 0.00 0.30 6.43 2.88 -0.79 -4.61 113.62 117.83 2wrl n SER 53 Ca 0.00 0.00 0.17 0.00 -1.33 0.00 0.00 58.87 57.71 2wrl n SER 53 Cb 0.00 0.00 0.96 0.00 -0.75 0.00 0.00 64.21 64.42 2wrl n SER 53 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 2wrl h LEU 54 N 0.00 0.00 -1.74 2.46 7.12 -1.78 1.33 115.31 122.71 2wrl h LEU 54 Ca 0.00 0.00 0.05 0.00 0.13 0.00 0.00 57.88 58.06 2wrl h LEU 54 Cb 0.00 0.00 -0.02 0.00 -0.53 0.00 0.00 40.66 40.11 2wrl h LEU 54 CO 0.00 0.01 0.28 0.00 -0.13 0.00 0.00 178.44 178.60 2wrl h ALA 55 N 1.99 1.97 -0.96 1.25 0.00 -1.91 0.11 119.26 121.71 2wrl h ALA 55 Ca -0.00 -0.01 -0.63 0.00 0.00 0.00 0.00 54.91 54.27 2wrl h ALA 55 Cb 0.05 -0.08 -0.30 0.00 0.00 0.00 0.00 17.79 17.46 2wrl h ALA 55 CO 0.00 -0.04 0.69 -0.11 0.00 0.00 0.00 179.25 179.78 2wrl n LEU 56 N -4.48 7.23 0.00 0.00 0.00 0.45 -4.90 117.00 115.31 2wrl n LEU 56 Ca 0.05 -4.19 0.00 0.00 0.00 0.00 0.00 56.01 51.87 2wrl n LEU 56 Cb 0.24 -0.90 0.00 0.00 0.00 0.00 0.00 43.42 42.76 2wrl n LEU 56 CO 0.35 1.44 0.00 0.29 0.00 0.00 0.00 177.39 179.46 2wrl n LYS 57 N -0.95 -0.15 -0.59 1.96 4.76 0.38 -4.89 118.16 118.68 2wrl n LYS 57 Ca 0.60 0.02 -0.30 0.00 -2.87 0.00 0.00 58.31 55.76 2wrl n LYS 57 Cb 0.88 -2.70 0.21 0.00 -1.84 0.00 0.00 35.03 31.57 2wrl n LYS 57 CO 0.00 0.00 0.00 -0.11 -1.37 0.00 0.00 177.40 175.92 2wrl n LEU 58 N 0.00 -1.09 -4.12 -0.35 7.94 -1.05 -4.91 117.00 113.43 2wrl n LEU 58 Ca 0.00 -0.04 -0.36 0.00 -1.11 0.00 0.00 56.01 54.50 2wrl n LEU 58 Cb 0.02 -1.18 0.08 0.00 0.53 0.00 0.00 43.42 42.86 2wrl n LEU 58 CO 0.00 -3.14 -1.29 1.17 -1.11 0.00 0.00 177.39 173.02 2wrl n LYS 59 N -3.63 -0.38 -1.77 1.96 4.81 -1.26 -4.34 118.16 113.55 2wrl n LYS 59 Ca 0.04 -0.10 -0.34 0.00 -0.87 0.00 0.00 58.31 57.03 2wrl n LYS 59 Cb 0.56 -1.27 0.05 0.00 0.02 0.00 0.00 35.03 34.39 2wrl n LYS 59 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2wrl n GLY 60 N 2.90 5.84 3.66 3.14 0.00 -1.26 -4.45 105.19 115.02 2wrl n GLY 60 Ca -0.00 -2.47 -0.24 0.00 0.00 0.00 0.00 46.02 43.30 2wrl n GLY 60 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2wrl s ASN 61 N -2.00 4.28 0.00 1.61 3.84 -1.26 -5.14 114.94 116.26 2wrl s ASN 61 Ca 0.56 -0.98 0.00 0.00 0.21 0.00 0.00 52.86 52.66 2wrl s ASN 61 Cb 0.46 -0.55 0.00 0.00 -0.55 0.00 0.00 41.25 40.60 2wrl s ASN 61 CO -0.17 -0.29 0.00 0.29 -2.79 0.00 0.00 177.10 174.14 2wrl n LYS 62 N -1.02 0.00 -0.01 0.43 4.76 -1.26 -4.44 118.16 116.62 2wrl n LYS 62 Ca -0.04 0.00 -0.07 0.00 -2.87 0.00 0.00 58.31 55.33 2wrl n LYS 62 Cb 0.63 0.00 -0.05 0.00 -1.84 0.00 0.00 35.03 33.77 2wrl n LYS 62 CO 0.00 0.00 0.00 1.79 -1.37 0.00 0.00 177.40 177.82 2wrl h THR 63 N 0.00 0.00 -0.68 -0.18 1.35 -2.00 -2.61 112.91 108.79 2wrl h THR 63 Ca 0.00 0.00 0.10 0.00 -0.55 0.00 0.00 66.41 65.96 2wrl h THR 63 Cb 0.00 0.00 -0.11 0.00 -1.73 0.00 0.00 68.15 66.31 2wrl h THR 63 CO 0.00 0.00 -0.28 -0.62 -0.25 0.00 0.00 175.52 174.37 2wrl n GLU 64 N -3.99 -0.17 -0.32 4.72 4.71 -1.26 0.16 120.64 124.48 2wrl n GLU 64 Ca -0.03 1.04 0.19 0.00 -0.01 0.00 0.00 57.16 58.35 2wrl n GLU 64 Cb 0.19 -1.55 0.39 0.00 -1.01 0.00 0.00 31.44 29.46 2wrl n GLU 64 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50 2wrl h VAL 65 N 0.00 0.34 0.00 2.62 2.07 -1.68 0.76 116.25 120.36 2wrl h VAL 65 Ca 0.23 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 67.64 2wrl h VAL 65 Cb 0.40 -0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.16 2wrl h VAL 65 CO -0.67 0.06 0.00 0.00 0.02 0.00 0.00 177.57 176.98 2wrl n ALA 66 N -2.46 1.39 -0.03 1.67 0.00 0.41 -0.91 120.51 120.57 2wrl n ALA 66 Ca 0.27 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.65 2wrl n ALA 66 Cb 0.83 -0.99 -0.02 0.00 0.00 0.00 0.00 19.45 19.27 2wrl n ALA 66 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2wrl n ARG 67 N -1.10 0.31 -0.02 0.00 1.74 0.26 -3.07 116.66 114.78 2wrl n ARG 67 Ca 0.00 0.12 -0.07 0.00 -0.77 0.00 0.00 57.85 57.13 2wrl n ARG 67 Cb 0.00 -1.04 -0.05 0.00 -1.02 0.00 0.00 32.46 30.36 2wrl n ARG 67 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 2wrl h GLN 68 N -0.57 -0.26 -0.56 5.56 4.20 -1.06 1.06 115.11 123.47 2wrl h GLN 68 Ca -0.04 0.02 0.16 0.00 0.06 0.00 0.00 58.65 58.85 2wrl h GLN 68 Cb 0.65 0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.46 2wrl h GLN 68 CO -0.02 -0.17 0.74 -0.24 -0.67 0.00 0.00 178.83 178.46 2wrl h VAL 69 N -0.27 0.17 0.00 -0.54 3.04 -1.31 -1.43 116.25 115.90 2wrl h VAL 69 Ca 0.02 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.71 2wrl h VAL 69 Cb 0.33 0.38 0.00 0.00 -2.01 0.00 0.00 31.29 29.99 2wrl h VAL 69 CO -0.23 0.00 0.00 0.61 -1.01 0.00 0.00 177.57 176.94 2wrl n GLY 70 N -1.54 -0.75 0.00 3.17 0.00 0.35 -1.71 105.19 104.71 2wrl n GLY 70 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 2wrl n GLY 70 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wrl n ARG 71 N -0.62 0.00 -0.09 1.61 1.74 -0.39 -0.85 116.66 118.06 2wrl n ARG 71 Ca 0.00 0.06 -0.14 0.00 -0.77 0.00 0.00 57.85 57.00 2wrl n ARG 71 Cb 0.00 -1.53 -0.06 0.00 -1.02 0.00 0.00 32.46 29.84 2wrl n ARG 71 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2wrl n ALA 72 N -0.91 0.71 0.01 7.54 0.00 -0.58 -2.59 120.51 124.68 2wrl n ALA 72 Ca 0.00 -0.57 0.02 0.00 0.00 0.00 0.00 53.44 52.88 2wrl n ALA 72 Cb 0.03 -0.16 0.36 0.00 0.00 0.00 0.00 19.45 19.68 2wrl n ALA 72 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2wrl h LEU 73 N -1.00 0.47 0.22 0.00 6.46 -0.10 -1.85 115.31 119.50 2wrl h LEU 73 Ca -0.20 -0.05 -0.01 0.00 -0.12 0.00 0.00 57.88 57.50 2wrl h LEU 73 Cb 0.97 -0.12 0.00 0.00 -0.73 0.00 0.00 40.66 40.79 2wrl h LEU 73 CO -0.12 0.45 -0.11 0.00 -0.62 0.00 0.00 178.44 178.04 2wrl h ALA 74 N 1.62 -0.29 -0.49 1.25 0.00 -1.40 -2.90 119.26 117.05 2wrl h ALA 74 Ca 0.12 -0.21 0.09 0.00 0.00 0.00 0.00 54.91 54.92 2wrl h ALA 74 Cb 0.15 0.11 -0.10 0.00 0.00 0.00 0.00 17.79 17.95 2wrl h ALA 74 CO -0.01 -0.40 -0.32 1.49 0.00 0.00 0.00 179.25 180.01 2wrl h GLU 75 N -0.83 -0.20 -0.02 0.00 4.81 -1.30 -0.46 114.58 116.59 2wrl h GLU 75 Ca -0.03 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 2wrl h GLU 75 Cb 0.51 0.04 -0.00 0.00 0.63 0.00 0.00 28.75 29.93 2wrl h GLU 75 CO 0.05 -0.13 -0.02 0.87 -0.73 0.00 0.00 179.01 179.05 2wrl h LYS 76 N -0.20 -0.01 -0.88 1.92 1.57 -1.40 -1.62 116.57 115.95 2wrl h LYS 76 Ca 0.20 0.00 0.25 0.00 -1.87 0.00 0.00 60.65 59.24 2wrl h LYS 76 Cb 0.54 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.81 2wrl h LYS 76 CO -0.60 -0.01 0.63 0.00 -0.57 0.00 0.00 179.45 178.91 2wrl h ALA 77 N -1.16 2.80 0.00 3.86 0.00 -1.19 0.32 119.26 123.90 2wrl h ALA 77 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2wrl h ALA 77 Cb 0.02 0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2wrl h ALA 77 CO -0.02 -1.06 0.00 1.28 0.00 0.00 0.00 179.25 179.45 2wrl n LEU 78 N -4.29 0.00 -0.07 0.00 4.77 -0.24 -1.29 117.00 115.89 2wrl n LEU 78 Ca 0.18 0.47 -0.17 0.00 -0.03 0.00 0.00 56.01 56.47 2wrl n LEU 78 Cb 0.94 -0.47 -0.13 0.00 -2.33 0.00 0.00 43.42 41.42 2wrl n LEU 78 CO 0.38 -0.35 -1.06 0.00 -1.33 0.00 0.00 177.39 175.04 2wrl n ALA 79 N -1.47 1.29 1.00 -1.18 0.00 0.11 -4.07 120.51 116.18 2wrl n ALA 79 Ca 0.02 -0.95 0.08 0.00 0.00 0.00 0.00 53.44 52.59 2wrl n ALA 79 Cb 0.09 -0.37 0.48 0.00 0.00 0.00 0.00 19.45 19.64 2wrl n ALA 79 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2wrl n LEU 80 N -3.22 0.00 0.00 0.00 4.77 -0.41 -4.81 117.00 113.34 2wrl n LEU 80 Ca -0.36 0.05 0.00 0.00 -0.03 0.00 0.00 56.01 55.67 2wrl n LEU 80 Cb 1.04 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 42.08 2wrl n LEU 80 CO 0.36 -0.02 0.00 0.61 -1.33 0.00 0.00 177.39 177.01 2wrl n GLY 81 N 0.05 0.58 3.77 -0.72 0.00 -0.99 -5.05 105.19 102.84 2wrl n GLY 81 Ca 0.12 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.76 2wrl n GLY 81 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wrl s ILE 82 N -2.24 3.32 0.00 -0.61 -1.09 -0.56 -4.96 121.20 115.07 2wrl s ILE 82 Ca 0.00 1.12 0.00 0.00 -2.23 0.00 0.00 60.65 59.54 2wrl s ILE 82 Cb 0.00 -3.63 0.00 0.00 -1.58 0.00 0.00 42.46 37.25 2wrl s ILE 82 CO 0.00 0.11 0.00 1.17 -1.23 0.00 0.00 174.94 174.99 2wrl n LYS 83 N 0.20 0.00 -3.78 2.79 4.81 -1.26 -3.93 118.16 117.00 2wrl n LYS 83 Ca 0.04 0.00 -0.33 0.00 -0.87 0.00 0.00 58.31 57.15 2wrl n LYS 83 Cb 0.47 0.00 -0.05 0.00 0.02 0.00 0.00 35.03 35.47 2wrl n LYS 83 CO 0.00 0.00 0.00 1.14 1.17 0.00 0.00 177.40 179.71 2wrl s GLN 84 N 0.00 3.55 0.00 1.64 -2.07 -1.26 -1.50 119.66 120.02 2wrl s GLN 84 Ca 0.00 -0.17 0.00 0.00 -1.82 0.00 0.00 55.36 53.37 2wrl s GLN 84 Cb 0.00 -3.00 0.00 0.00 -1.09 0.00 0.00 33.01 28.92 2wrl s GLN 84 CO 0.00 0.59 0.00 1.33 -1.32 0.00 0.00 175.29 175.89 2wrl n VAL 85 N 0.61 0.00 -3.75 3.63 0.24 -1.26 -4.84 118.33 112.96 2wrl n VAL 85 Ca -0.07 0.00 -0.13 0.00 -2.04 0.00 0.00 64.34 62.10 2wrl n VAL 85 Cb 0.52 0.00 -0.09 0.00 -1.47 0.00 0.00 33.84 32.80 2wrl n VAL 85 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2wrl s ALA 86 N -1.45 -0.83 0.79 2.33 0.00 -1.04 -4.76 121.76 116.80 2wrl s ALA 86 Ca 0.00 0.46 -0.09 0.00 0.00 0.00 0.00 51.96 52.33 2wrl s ALA 86 Cb 0.00 -0.02 0.11 0.00 0.00 0.00 0.00 23.12 23.20 2wrl s ALA 86 CO 0.00 -0.25 1.12 0.12 0.00 0.00 0.00 175.76 176.75 2wrl s PHE 87 N -1.10 2.43 0.00 0.00 5.36 -1.26 -2.62 117.98 120.79 2wrl s PHE 87 Ca -0.11 0.37 0.00 0.00 -0.96 0.00 0.00 56.93 56.23 2wrl s PHE 87 Cb -0.05 -3.45 0.00 0.00 -0.34 0.00 0.00 43.02 39.18 2wrl s PHE 87 CO 0.04 -1.82 0.00 -3.47 -1.46 0.00 0.00 175.22 168.51 2wrl n ASP 88 N -3.19 0.00 -1.78 6.13 4.64 -1.07 -4.64 116.55 116.64 2wrl n ASP 88 Ca 0.11 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.52 2wrl n ASP 88 Cb 0.60 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.68 2wrl n ASP 88 CO 0.00 0.00 0.00 -1.14 -0.82 0.00 0.00 177.20 175.24 2wrl n ARG 89 N 0.00 -3.78 0.00 -0.67 3.00 -1.26 -4.73 116.66 109.22 2wrl n ARG 89 Ca 0.00 2.86 0.00 0.00 -0.00 0.00 0.00 57.85 60.71 2wrl n ARG 89 Cb 0.00 -3.24 0.00 0.00 0.00 0.00 0.00 32.46 29.22 2wrl n ARG 89 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2wrl n GLY 90 N 1.31 -2.27 0.56 5.14 0.00 -1.26 -2.92 105.19 105.75 2wrl n GLY 90 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.04 2wrl n GLY 90 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2wrl n PRO 91 N -0.10 0.31 -0.02 1.61 -0.04 -1.26 -4.60 135.00 130.90 2wrl n PRO 91 Ca 0.00 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.45 2wrl n PRO 91 Cb 0.00 -1.18 -0.00 0.00 -0.04 0.00 0.00 33.50 32.28 2wrl n PRO 91 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 2wrl n TYR 92 N 0.41 -0.02 -3.31 0.54 4.11 -1.15 -4.86 117.16 112.87 2wrl n TYR 92 Ca 0.00 0.06 -0.16 0.00 -0.00 0.00 0.00 57.90 57.80 2wrl n TYR 92 Cb 0.09 -0.25 0.08 0.00 -0.00 0.00 0.00 39.34 39.26 2wrl n TYR 92 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.86 178.03 2wrl n LYS 93 N -2.67 -6.12 0.00 -3.48 3.00 -1.26 -4.45 118.16 103.18 2wrl n LYS 93 Ca 0.00 0.77 0.00 0.00 -0.00 0.00 0.00 58.31 59.08 2wrl n LYS 93 Cb 0.01 -5.55 0.00 0.00 0.00 0.00 0.00 35.03 29.49 2wrl n LYS 93 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.40 178.38 2wrl n TYR 94 N -3.93 0.00 -3.54 5.64 9.36 -1.26 -4.72 117.16 118.72 2wrl n TYR 94 Ca -0.24 0.00 -0.01 0.00 3.32 0.00 0.00 57.90 60.98 2wrl n TYR 94 Cb 0.64 0.00 0.01 0.00 -0.63 0.00 0.00 39.34 39.36 2wrl n TYR 94 CO 0.00 0.00 0.00 1.58 0.22 0.00 0.00 176.86 178.66 2wrl n HIS 95 N 0.00 -0.79 0.00 2.98 -0.00 -1.26 -5.12 115.22 111.03 2wrl n HIS 95 Ca 0.00 -0.33 0.00 0.00 0.46 0.00 0.00 57.72 57.85 2wrl n HIS 95 Cb 0.00 0.16 0.00 0.00 -0.12 0.00 0.00 29.99 30.03 2wrl n HIS 95 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2wrl n GLY 96 N -0.18 1.87 1.78 1.57 0.00 -1.26 -3.69 105.19 105.29 2wrl n GLY 96 Ca -0.01 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.94 2wrl n GLY 96 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2wrl n ARG 97 N 12.52 0.00 -1.88 1.61 -4.01 -1.26 -4.79 116.66 118.85 2wrl n ARG 97 Ca 0.00 0.00 -0.42 0.00 -1.04 0.00 0.00 57.85 56.39 2wrl n ARG 97 Cb 0.00 -0.36 -0.03 0.00 -3.04 0.00 0.00 32.46 29.03 2wrl n ARG 97 CO 0.00 0.00 0.00 0.08 -3.04 0.00 0.00 177.63 174.67 2wrl s VAL 98 N 0.00 3.37 -0.64 8.89 1.01 -1.24 -4.78 120.40 127.00 2wrl s VAL 98 Ca 0.00 0.43 0.00 0.00 0.00 0.00 0.00 61.98 62.41 2wrl s VAL 98 Cb 0.00 -3.32 0.00 0.00 0.00 0.00 0.00 36.38 33.06 2wrl s VAL 98 CO 0.00 -0.09 0.28 0.29 0.00 0.00 0.00 175.10 175.59 2wrl n LYS 99 N 7.56 0.41 -1.49 2.72 4.76 -1.17 -4.46 118.16 126.49 2wrl n LYS 99 Ca 0.20 0.00 -0.19 0.00 -2.87 0.00 0.00 58.31 55.45 2wrl n LYS 99 Cb 0.43 -1.24 -0.19 0.00 -1.84 0.00 0.00 35.03 32.19 2wrl n LYS 99 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2wrl n ALA 100 N 0.47 0.96 -2.49 7.82 0.00 -1.26 -4.80 120.51 121.21 2wrl n ALA 100 Ca 0.00 -0.95 -0.26 0.00 0.00 0.00 0.00 53.44 52.24 2wrl n ALA 100 Cb 0.14 -2.47 -0.13 0.00 0.00 0.00 0.00 19.45 16.99 2wrl n ALA 100 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 2wrl s LEU 101 N 2.79 2.28 0.00 0.00 0.05 -1.26 -4.94 118.68 117.59 2wrl s LEU 101 Ca 1.18 -0.67 0.00 0.00 0.05 0.00 0.00 54.13 54.69 2wrl s LEU 101 Cb -0.67 -0.99 0.00 0.00 -2.05 0.00 0.00 46.19 42.48 2wrl s LEU 101 CO 0.45 0.11 0.00 0.00 -0.55 0.00 0.00 176.35 176.36 2wrl n ALA 102 N 1.21 0.00 0.00 1.48 0.00 -1.26 -4.72 120.51 117.22 2wrl n ALA 102 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.25 2wrl n ALA 102 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 2wrl n ALA 102 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2wrl n GLU 103 N 0.00 0.00 0.00 0.00 -0.58 -1.26 -4.71 120.64 114.09 2wrl n GLU 103 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 2wrl n GLU 103 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 2wrl n GLU 103 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2wrl n GLY 104 N 0.00 0.00 1.25 0.62 0.00 -1.26 -4.54 105.19 101.26 2wrl n GLY 104 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2wrl n GLY 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wrl n ALA 105 N 0.00 2.13 -0.24 4.61 0.00 -0.56 -3.77 120.51 122.68 2wrl n ALA 105 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.37 2wrl n ALA 105 Cb 0.00 -1.18 0.04 0.00 0.00 0.00 0.00 19.45 18.30 2wrl n ALA 105 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 2wrl h ARG 106 N 1.65 1.02 0.00 0.00 1.12 -1.79 -3.38 114.38 113.00 2wrl h ARG 106 Ca 0.00 -0.21 0.00 0.00 -1.11 0.00 0.00 59.98 58.66 2wrl h ARG 106 Cb 0.43 -0.15 0.00 0.00 -0.01 0.00 0.00 29.97 30.24 2wrl h ARG 106 CO 0.00 0.88 0.00 -1.91 -3.11 0.00 0.00 179.97 175.83 2wrl n GLU 107 N -4.35 0.00 -3.43 0.20 4.07 -1.25 -4.47 120.64 111.41 2wrl n GLU 107 Ca 0.05 0.00 -0.18 0.00 -0.06 0.00 0.00 57.16 56.97 2wrl n GLU 107 Cb 0.21 0.00 0.07 0.00 -0.06 0.00 0.00 31.44 31.66 2wrl n GLU 107 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2wrl n GLY 108 N 1.99 -0.59 0.00 8.31 0.00 -1.26 -4.91 105.19 108.73 2wrl n GLY 108 Ca 0.00 0.25 0.00 0.00 0.00 0.00 0.00 46.02 46.27 2wrl n GLY 108 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93