#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wdl s PHE 12 N 0.00 3.40 0.09 5.58 -0.12 -1.26 -5.00 117.98 120.68 2wdl s PHE 12 Ca 0.00 0.38 -0.17 0.00 -0.05 0.00 0.00 56.93 57.10 2wdl s PHE 12 Cb 0.00 -2.23 -0.07 0.00 -0.63 0.00 0.00 43.02 40.08 2wdl s PHE 12 CO 0.00 0.23 1.48 0.00 -0.05 0.00 0.00 175.22 176.88 2wdl h ARG 13 N 6.85 0.59 0.00 1.99 -0.00 -2.06 -3.48 114.38 118.27 2wdl h ARG 13 Ca -0.40 -0.24 0.00 0.00 -0.50 0.00 0.00 59.98 58.84 2wdl h ARG 13 Cb 1.16 -0.03 0.00 0.00 0.00 0.00 0.00 29.97 31.10 2wdl h ARG 13 CO 0.74 0.79 0.00 0.28 0.00 0.00 0.00 179.97 181.78 2wdl n VAL 14 N -4.46 0.00 -1.85 2.04 0.31 -1.26 -4.87 118.33 108.24 2wdl n VAL 14 Ca -0.03 0.00 -0.20 0.00 -0.01 0.00 0.00 64.34 64.10 2wdl n VAL 14 Cb 0.34 0.00 -0.06 0.00 -0.91 0.00 0.00 33.84 33.21 2wdl n VAL 14 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2wdl n ARG 15 N 12.43 -1.54 0.18 5.55 5.12 -1.26 -4.73 116.66 132.41 2wdl n ARG 15 Ca 0.00 1.10 0.07 0.00 -1.93 0.00 0.00 57.85 57.09 2wdl n ARG 15 Cb 0.00 -5.57 0.16 0.00 -1.16 0.00 0.00 32.46 25.89 2wdl n ARG 15 CO 0.00 0.00 0.00 -0.91 -1.93 0.00 0.00 177.63 174.79 2wdl h ASN 16 N 0.00 0.00 -0.29 0.55 4.21 -1.89 -3.40 115.58 114.76 2wdl h ASN 16 Ca -0.43 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.08 2wdl h ASN 16 Cb 1.31 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.51 2wdl h ASN 16 CO 0.58 0.29 0.00 -2.11 -1.29 0.00 0.00 177.43 174.91 2wdl n ARG 17 N -3.21 1.85 0.00 0.81 1.85 -1.26 -3.95 116.66 112.75 2wdl n ARG 17 Ca 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.87 2wdl n ARG 17 Cb 0.61 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 32.02 2wdl n ARG 17 CO 0.00 0.00 0.00 -0.89 -0.01 0.00 0.00 177.63 176.73 2wdl n ILE 18 N 0.00 0.00 -0.41 8.89 2.08 -1.26 -4.50 119.36 124.15 2wdl n ILE 18 Ca 0.00 0.00 -0.02 0.00 0.56 0.00 0.00 62.75 63.29 2wdl n ILE 18 Cb 0.00 0.00 -0.03 0.00 -0.75 0.00 0.00 39.64 38.86 2wdl n ILE 18 CO 0.00 0.00 0.00 1.17 0.56 0.00 0.00 176.55 178.28 2wdl n LYS 19 N 0.00 0.83 -3.85 0.38 4.81 -1.25 -4.66 118.16 114.41 2wdl n LYS 19 Ca 0.00 -0.20 -0.35 0.00 -0.87 0.00 0.00 58.31 56.89 2wdl n LYS 19 Cb 0.00 -1.39 -0.13 0.00 0.02 0.00 0.00 35.03 33.53 2wdl n LYS 19 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 2wdl s ARG 20 N 1.07 2.07 -0.04 1.64 1.81 -1.26 -4.88 118.95 119.35 2wdl s ARG 20 Ca 0.14 -1.65 0.23 0.00 -1.72 0.00 0.00 55.73 52.73 2wdl s ARG 20 Cb 0.06 -3.40 0.43 0.00 -0.45 0.00 0.00 34.95 31.60 2wdl s ARG 20 CO 0.00 -0.90 1.18 2.41 -0.68 0.00 0.00 175.30 177.30 2wdl n THR 21 N 4.55 0.42 -2.71 0.02 -1.04 -1.26 -4.84 114.28 109.43 2wdl n THR 21 Ca -0.05 -1.45 -0.01 0.00 -2.04 0.00 0.00 64.05 60.50 2wdl n THR 21 Cb 0.42 0.78 0.05 0.00 -1.82 0.00 0.00 70.33 69.76 2wdl n THR 21 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2wdl n GLY 22 N 0.19 2.09 0.63 3.41 0.00 -1.26 -5.14 105.19 105.10 2wdl n GLY 22 Ca 0.08 -1.16 0.01 0.00 0.00 0.00 0.00 46.02 44.96 2wdl n GLY 22 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wdl n ARG 23 N -0.46 -0.31 -2.92 1.61 1.74 -1.26 -4.66 116.66 110.40 2wdl n ARG 23 Ca 0.10 0.25 -0.01 0.00 -0.77 0.00 0.00 57.85 57.42 2wdl n ARG 23 Cb 0.86 -0.81 -0.01 0.00 -1.02 0.00 0.00 32.46 31.48 2wdl n ARG 23 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2wdl n LEU 24 N -3.03 -5.49 0.00 0.55 7.99 -1.25 -4.05 117.00 111.71 2wdl n LEU 24 Ca -0.01 1.23 -0.20 0.00 -0.01 0.00 0.00 56.01 57.03 2wdl n LEU 24 Cb 0.06 -2.37 0.12 0.00 -0.11 0.00 0.00 43.42 41.12 2wdl n LEU 24 CO 0.00 -2.82 0.54 0.54 -1.51 0.00 0.00 177.39 174.14 2wdl n ARG 25 N 1.59 -0.48 -2.86 3.23 1.74 0.07 -0.75 116.66 119.19 2wdl n ARG 25 Ca -0.10 -1.74 -0.12 0.00 -0.77 0.00 0.00 57.85 55.12 2wdl n ARG 25 Cb 0.29 -0.77 0.04 0.00 -1.02 0.00 0.00 32.46 31.00 2wdl n ARG 25 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 2wdl n LEU 26 N 0.00 -1.79 -4.70 0.55 0.00 -0.95 -3.16 117.00 106.96 2wdl n LEU 26 Ca 0.12 -3.87 -0.42 0.00 0.00 0.00 0.00 56.01 51.84 2wdl n LEU 26 Cb 0.43 0.83 -0.03 0.00 0.00 0.00 0.00 43.42 44.65 2wdl n LEU 26 CO 0.30 2.08 1.23 -0.55 0.00 0.00 0.00 177.39 180.45 2wdl s SER 27 N -1.57 6.68 -0.08 1.96 0.15 -0.90 -3.74 113.70 116.21 2wdl s SER 27 Ca 0.30 2.40 0.01 0.00 0.70 0.00 0.00 55.95 59.36 2wdl s SER 27 Cb 0.26 -2.57 -0.03 0.00 -1.71 0.00 0.00 66.02 61.97 2wdl s SER 27 CO -0.14 -0.81 -0.10 -0.69 1.20 0.00 0.00 173.24 172.71 2wdl s VAL 28 N 2.16 3.44 -0.17 4.45 1.01 -1.26 -1.34 120.40 128.68 2wdl s VAL 28 Ca 0.70 -0.56 -0.02 0.00 0.00 0.00 0.00 61.98 62.10 2wdl s VAL 28 Cb -0.38 -2.41 -0.01 0.00 0.00 0.00 0.00 36.38 33.58 2wdl s VAL 28 CO 0.30 0.58 -0.10 0.12 0.00 0.00 0.00 175.10 176.00 2wdl s PHE 29 N -0.50 2.88 -0.16 5.22 5.99 0.44 -4.37 117.98 127.47 2wdl s PHE 29 Ca 0.07 -0.85 -0.02 0.00 0.00 0.00 0.00 56.93 56.13 2wdl s PHE 29 Cb -0.12 -1.96 -0.01 0.00 0.00 0.00 0.00 43.02 40.93 2wdl s PHE 29 CO 0.02 -0.40 -0.10 0.50 -0.00 0.00 0.00 175.22 175.24 2wdl s ARG 30 N 0.90 3.40 0.27 10.12 6.06 -1.26 -0.24 118.95 138.18 2wdl s ARG 30 Ca -0.02 -0.66 0.08 0.00 -2.50 0.00 0.00 55.73 52.63 2wdl s ARG 30 Cb -0.15 -2.77 -0.05 0.00 0.06 0.00 0.00 34.95 32.03 2wdl s ARG 30 CO 0.00 0.07 -0.11 -1.54 -2.50 0.00 0.00 175.30 171.22 2wdl s SER 31 N 0.74 2.99 0.43 -2.12 1.04 -1.05 -5.00 113.70 110.74 2wdl s SER 31 Ca -0.04 -1.12 0.28 0.00 0.48 0.00 0.00 55.95 55.55 2wdl s SER 31 Cb -0.15 -0.21 1.37 0.00 0.10 0.00 0.00 66.02 67.13 2wdl s SER 31 CO 0.02 -0.21 1.65 -0.07 0.98 0.00 0.00 173.24 175.61 2wdl h LEU 32 N 2.32 0.28 0.00 2.42 3.38 -2.06 -2.99 115.31 118.66 2wdl h LEU 32 Ca -0.40 0.13 -0.06 0.00 0.09 0.00 0.00 57.88 57.64 2wdl h LEU 32 Cb 1.24 0.11 -0.01 0.00 0.09 0.00 0.00 40.66 42.08 2wdl h LEU 32 CO 0.65 -0.14 -1.35 0.29 0.09 0.00 0.00 178.44 177.98 2wdl n LYS 33 N -4.69 1.98 0.00 1.13 4.76 -1.26 -5.09 118.16 114.98 2wdl n LYS 33 Ca 0.35 -0.02 0.00 0.00 -2.87 0.00 0.00 58.31 55.77 2wdl n LYS 33 Cb 1.33 -1.15 0.00 0.00 -1.84 0.00 0.00 35.03 33.38 2wdl n LYS 33 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 2wdl n HIS 34 N -2.02 0.00 -3.63 2.13 8.25 -1.13 -4.88 115.22 113.94 2wdl n HIS 34 Ca -0.06 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.38 2wdl n HIS 34 Cb 0.49 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.53 2wdl n HIS 34 CO 0.00 0.00 0.00 -1.50 0.64 0.00 0.00 176.34 175.48 2wdl s ILE 35 N 0.96 -0.02 0.07 1.59 2.07 -1.26 -2.53 121.20 122.09 2wdl s ILE 35 Ca 0.00 0.00 0.06 0.00 -1.41 0.00 0.00 60.65 59.30 2wdl s ILE 35 Cb 0.00 -1.00 -0.03 0.00 0.13 0.00 0.00 42.46 41.56 2wdl s ILE 35 CO 0.00 0.00 -0.17 -0.31 -1.91 0.00 0.00 174.94 172.55 2wdl s TYR 36 N 1.37 1.43 -0.03 3.50 1.51 0.66 0.78 117.35 126.57 2wdl s TYR 36 Ca -0.09 -0.43 0.00 0.00 -1.01 0.00 0.00 57.07 55.55 2wdl s TYR 36 Cb -0.04 -0.80 0.02 0.00 -0.11 0.00 0.00 41.96 41.03 2wdl s TYR 36 CO -0.14 0.10 0.00 0.00 -1.11 0.00 0.00 175.55 174.40 2wdl s ALA 37 N -1.15 0.27 -0.02 3.71 0.00 -0.88 0.17 121.76 123.85 2wdl s ALA 37 Ca 0.02 0.17 0.07 0.00 0.00 0.00 0.00 51.96 52.21 2wdl s ALA 37 Cb -0.10 -0.28 -0.02 0.00 0.00 0.00 0.00 23.12 22.73 2wdl s ALA 37 CO 0.03 -0.06 -0.23 -0.65 0.00 0.00 0.00 175.76 174.84 2wdl s GLN 38 N 0.92 1.98 -0.70 0.00 -0.21 -0.45 -2.74 119.66 118.46 2wdl s GLN 38 Ca -0.09 -0.84 -0.15 0.00 0.02 0.00 0.00 55.36 54.30 2wdl s GLN 38 Cb -0.12 -1.88 0.17 0.00 1.00 0.00 0.00 33.01 32.18 2wdl s GLN 38 CO -0.02 0.48 0.68 0.42 -2.12 0.00 0.00 175.29 174.73 2wdl s ILE 39 N -0.48 5.36 0.04 1.08 -1.09 -0.41 -2.11 121.20 123.59 2wdl s ILE 39 Ca 0.07 -1.94 -0.14 0.00 -2.23 0.00 0.00 60.65 56.41 2wdl s ILE 39 Cb -0.10 -4.44 -0.06 0.00 -1.58 0.00 0.00 42.46 36.29 2wdl s ILE 39 CO -0.00 -1.00 0.42 -0.63 -1.23 0.00 0.00 174.94 172.50 2wdl s ILE 40 N 1.03 5.02 -0.36 2.92 1.01 -1.19 -1.32 121.20 128.31 2wdl s ILE 40 Ca 0.12 0.75 0.03 0.00 0.00 0.00 0.00 60.65 61.55 2wdl s ILE 40 Cb -0.19 -3.70 0.10 0.00 0.01 0.00 0.00 42.46 38.69 2wdl s ILE 40 CO -0.03 0.47 0.09 -0.62 0.00 0.00 0.00 174.94 174.84 2wdl s ASP 41 N -1.32 4.82 0.80 3.58 2.15 -0.10 -0.75 116.67 125.85 2wdl s ASP 41 Ca 0.28 -2.19 0.00 0.00 0.43 0.00 0.00 52.55 51.06 2wdl s ASP 41 Cb -0.16 -1.66 0.00 0.00 -0.30 0.00 0.00 42.92 40.80 2wdl s ASP 41 CO 0.15 -0.39 0.00 0.47 -0.17 0.00 0.00 175.17 175.23 2wdl n ASP 42 N 4.23 -1.26 0.00 -0.34 9.92 -1.26 -2.13 116.55 125.71 2wdl n ASP 42 Ca 0.03 -0.17 0.00 0.00 -0.53 0.00 0.00 54.79 54.12 2wdl n ASP 42 Cb 0.41 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.89 2wdl n ASP 42 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 2wdl n GLU 43 N -1.43 0.00 0.08 -1.24 -0.58 -1.26 -3.54 120.64 112.67 2wdl n GLU 43 Ca 0.00 0.00 0.13 0.00 -0.42 0.00 0.00 57.16 56.87 2wdl n GLU 43 Cb 0.00 0.00 0.45 0.00 -0.57 0.00 0.00 31.44 31.32 2wdl n GLU 43 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 2wdl n LYS 44 N 0.00 0.20 -3.55 3.49 5.02 -1.24 -4.97 118.16 117.11 2wdl n LYS 44 Ca 0.00 0.19 -0.24 0.00 -2.02 0.00 0.00 58.31 56.24 2wdl n LYS 44 Cb 0.00 -1.74 0.05 0.00 -0.02 0.00 0.00 35.03 33.32 2wdl n LYS 44 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2wdl n GLY 45 N 1.18 -0.90 3.26 0.72 0.00 -0.90 -5.02 105.19 103.54 2wdl n GLY 45 Ca 0.05 0.43 -0.10 0.00 0.00 0.00 0.00 46.02 46.40 2wdl n GLY 45 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wdl s VAL 46 N -3.48 0.10 -0.03 1.61 1.01 -1.11 -5.03 120.40 113.47 2wdl s VAL 46 Ca 0.37 -0.79 0.00 0.00 0.00 0.00 0.00 61.98 61.56 2wdl s VAL 46 Cb -0.10 -1.14 -0.04 0.00 0.00 0.00 0.00 36.38 35.11 2wdl s VAL 46 CO 0.81 -0.43 0.02 -0.89 0.00 0.00 0.00 175.10 174.60 2wdl s THR 47 N -3.38 4.30 -0.11 3.92 2.01 -1.26 -0.92 115.64 120.20 2wdl s THR 47 Ca 0.01 -0.46 0.01 0.00 0.31 0.00 0.00 61.69 61.55 2wdl s THR 47 Cb 0.02 -2.90 -0.07 0.00 0.01 0.00 0.00 72.50 69.56 2wdl s THR 47 CO -0.09 0.44 -0.10 0.18 -0.69 0.00 0.00 174.62 174.36 2wdl n LEU 48 N 1.57 2.99 -4.38 4.42 4.32 -0.44 -4.98 117.00 120.50 2wdl n LEU 48 Ca -0.15 -0.06 -0.23 0.00 -0.02 0.00 0.00 56.01 55.54 2wdl n LEU 48 Cb 0.53 -0.40 -0.11 0.00 -1.62 0.00 0.00 43.42 41.82 2wdl n LEU 48 CO 0.33 0.69 -0.49 -0.69 -1.22 0.00 0.00 177.39 176.01 2wdl s VAL 49 N -2.23 2.06 -0.00 4.08 1.01 -1.23 -5.00 120.40 119.09 2wdl s VAL 49 Ca -0.15 -2.05 -0.29 0.00 0.00 0.00 0.00 61.98 59.48 2wdl s VAL 49 Cb 0.04 -2.01 0.10 0.00 0.00 0.00 0.00 36.38 34.51 2wdl s VAL 49 CO 0.26 -0.30 0.91 -0.94 0.00 0.00 0.00 175.10 175.03 2wdl s SER 50 N -2.86 -0.34 -0.29 3.32 1.04 -1.26 -1.28 113.70 112.02 2wdl s SER 50 Ca 0.20 -0.03 -0.26 0.00 0.48 0.00 0.00 55.95 56.34 2wdl s SER 50 Cb -0.06 0.38 0.19 0.00 0.10 0.00 0.00 66.02 66.63 2wdl s SER 50 CO 0.09 -0.62 1.41 0.00 0.98 0.00 0.00 173.24 175.09 2wdl s ALA 51 N -3.10 -2.19 0.10 5.32 0.00 -1.11 -4.62 121.76 116.16 2wdl s ALA 51 Ca 0.06 1.73 -0.14 0.00 0.00 0.00 0.00 51.96 53.61 2wdl s ALA 51 Cb -0.01 -1.70 0.02 0.00 0.00 0.00 0.00 23.12 21.43 2wdl s ALA 51 CO -0.08 -0.14 0.33 -1.54 0.00 0.00 0.00 175.76 174.33 2wdl s SER 52 N -0.22 -0.12 0.90 0.00 1.04 -1.26 -2.07 113.70 111.96 2wdl s SER 52 Ca 0.07 -0.38 -0.15 0.00 0.48 0.00 0.00 55.95 55.97 2wdl s SER 52 Cb -0.04 0.42 0.01 0.00 0.10 0.00 0.00 66.02 66.50 2wdl s SER 52 CO -0.13 -0.78 -0.38 -0.24 0.98 0.00 0.00 173.24 172.69 2wdl n SER 53 N -0.04 -2.65 0.00 7.02 2.88 0.23 -3.89 113.62 117.18 2wdl n SER 53 Ca -0.16 -0.13 0.00 0.00 -1.33 0.00 0.00 58.87 57.25 2wdl n SER 53 Cb 0.63 -0.65 0.00 0.00 -0.75 0.00 0.00 64.21 63.44 2wdl n SER 53 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2wdl n LEU 54 N 1.17 0.00 -3.33 2.46 7.99 -1.05 -2.72 117.00 121.52 2wdl n LEU 54 Ca 0.01 0.00 -0.31 0.00 -0.01 0.00 0.00 56.01 55.70 2wdl n LEU 54 Cb 0.43 0.00 -0.02 0.00 -0.11 0.00 0.00 43.42 43.71 2wdl n LEU 54 CO 0.28 0.00 2.60 0.00 -1.51 0.00 0.00 177.39 178.76 2wdl n ALA 55 N 0.00 5.23 0.00 -1.18 0.00 -1.26 0.28 120.51 123.58 2wdl n ALA 55 Ca 0.00 -2.74 0.00 0.00 0.00 0.00 0.00 53.44 50.70 2wdl n ALA 55 Cb 0.00 -3.24 0.00 0.00 0.00 0.00 0.00 19.45 16.21 2wdl n ALA 55 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2wdl n LEU 56 N 4.77 0.00 0.00 0.00 0.00 -1.10 -4.53 117.00 116.13 2wdl n LEU 56 Ca 0.54 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.55 2wdl n LEU 56 Cb 0.22 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.64 2wdl n LEU 56 CO 0.81 0.00 0.00 1.17 0.00 0.00 0.00 177.39 179.37 2wdl n LYS 57 N 0.00 0.00 -1.26 1.96 4.81 0.80 -5.05 118.16 119.42 2wdl n LYS 57 Ca 0.00 0.00 0.14 0.00 -0.87 0.00 0.00 58.31 57.58 2wdl n LYS 57 Cb 0.00 0.00 -0.06 0.00 0.02 0.00 0.00 35.03 34.99 2wdl n LYS 57 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 2wdl n LEU 58 N 0.00 -0.75 -3.19 3.14 7.94 -1.26 -2.53 117.00 120.35 2wdl n LEU 58 Ca 0.00 1.73 -0.31 0.00 -1.11 0.00 0.00 56.01 56.32 2wdl n LEU 58 Cb 0.00 -3.60 0.03 0.00 0.53 0.00 0.00 43.42 40.37 2wdl n LEU 58 CO 0.00 -2.16 -1.55 0.29 -1.11 0.00 0.00 177.39 172.86 2wdl n LYS 59 N -3.93 0.00 -0.39 1.96 5.02 -1.26 -4.65 118.16 114.91 2wdl n LYS 59 Ca -0.05 0.00 0.08 0.00 -2.02 0.00 0.00 58.31 56.32 2wdl n LYS 59 Cb 0.61 -0.80 0.25 0.00 -0.02 0.00 0.00 35.03 35.08 2wdl n LYS 59 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2wdl n GLY 60 N 2.79 3.10 3.72 0.72 0.00 -1.26 -4.60 105.19 109.67 2wdl n GLY 60 Ca -0.02 -0.72 -0.33 0.00 0.00 0.00 0.00 46.02 44.95 2wdl n GLY 60 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2wdl s ASN 61 N -1.23 5.34 0.00 1.61 3.84 -1.26 -5.10 114.94 118.15 2wdl s ASN 61 Ca 0.38 0.09 0.00 0.00 0.21 0.00 0.00 52.86 53.54 2wdl s ASN 61 Cb 0.25 -1.48 0.00 0.00 -0.55 0.00 0.00 41.25 39.47 2wdl s ASN 61 CO 0.17 0.31 0.00 0.29 -2.79 0.00 0.00 177.10 175.08 2wdl n LYS 62 N 1.55 0.00 -0.26 0.43 4.76 -1.26 -2.85 118.16 120.53 2wdl n LYS 62 Ca -0.15 0.00 0.14 0.00 -2.87 0.00 0.00 58.31 55.43 2wdl n LYS 62 Cb 0.53 0.00 0.27 0.00 -1.84 0.00 0.00 35.03 33.99 2wdl n LYS 62 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 2wdl n THR 63 N 0.00 -0.32 -0.07 -0.18 -2.24 -1.26 -0.89 114.28 109.32 2wdl n THR 63 Ca 0.00 1.64 -0.07 0.00 -2.27 0.00 0.00 64.05 63.35 2wdl n THR 63 Cb 0.00 -2.44 -0.01 0.00 -2.10 0.00 0.00 70.33 65.78 2wdl n THR 63 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 2wdl h GLU 64 N 0.00 -0.10 -0.83 -0.78 3.07 -1.99 -1.29 114.58 112.65 2wdl h GLU 64 Ca 0.50 0.01 0.01 0.00 -0.50 0.00 0.00 59.36 59.38 2wdl h GLU 64 Cb 1.11 0.02 -0.04 0.00 -0.84 0.00 0.00 28.75 29.00 2wdl h GLU 64 CO -0.68 -0.07 0.55 0.28 -1.40 0.00 0.00 179.01 177.68 2wdl h VAL 65 N -0.11 1.20 0.00 3.13 2.07 -0.86 -1.64 116.25 120.04 2wdl h VAL 65 Ca 0.15 -0.38 0.00 0.00 0.82 0.00 0.00 66.70 67.29 2wdl h VAL 65 Cb 0.34 -0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.10 2wdl h VAL 65 CO -0.36 0.20 0.00 0.00 0.02 0.00 0.00 177.57 177.44 2wdl n ALA 66 N -2.33 0.85 -0.35 1.67 0.00 -0.49 -0.13 120.51 119.73 2wdl n ALA 66 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.53 2wdl n ALA 66 Cb 0.02 -0.57 0.00 0.00 0.00 0.00 0.00 19.45 18.90 2wdl n ALA 66 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2wdl n ARG 67 N -0.75 0.00 -0.33 0.00 5.12 -0.62 -3.83 116.66 116.25 2wdl n ARG 67 Ca 0.00 0.00 0.14 0.00 -1.93 0.00 0.00 57.85 56.06 2wdl n ARG 67 Cb 0.00 -0.28 0.33 0.00 -1.16 0.00 0.00 32.46 31.35 2wdl n ARG 67 CO 0.00 0.00 0.00 1.96 -1.93 0.00 0.00 177.63 177.66 2wdl h GLN 68 N 0.00 0.57 -0.15 5.56 4.20 -1.32 0.88 115.11 124.86 2wdl h GLN 68 Ca 0.00 -0.03 0.04 0.00 0.06 0.00 0.00 58.65 58.72 2wdl h GLN 68 Cb 0.00 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 27.65 2wdl h GLN 68 CO 0.00 0.38 0.11 -0.24 -0.67 0.00 0.00 178.83 178.41 2wdl h VAL 69 N 0.59 0.87 0.10 -0.54 3.04 -0.79 1.38 116.25 120.90 2wdl h VAL 69 Ca 0.58 0.00 -0.01 0.00 -1.01 0.00 0.00 66.70 66.27 2wdl h VAL 69 Cb 1.03 0.92 0.00 0.00 -2.01 0.00 0.00 31.29 31.23 2wdl h VAL 69 CO -0.45 0.00 -0.05 1.23 -1.01 0.00 0.00 177.57 177.29 2wdl h GLY 70 N 0.00 -0.14 -0.11 3.17 0.00 0.57 -2.50 103.07 104.06 2wdl h GLY 70 Ca 0.07 0.05 0.26 0.00 0.00 0.00 0.00 47.33 47.71 2wdl h GLY 70 CO -0.00 -0.05 0.66 3.21 0.00 0.00 0.00 176.54 180.35 2wdl h ARG 71 N -0.84 0.42 0.00 4.80 3.08 -0.95 0.48 114.38 121.37 2wdl h ARG 71 Ca -0.01 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.01 2wdl h ARG 71 Cb 0.11 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.06 2wdl h ARG 71 CO 0.02 0.28 0.00 0.00 -1.07 0.00 0.00 179.97 179.20 2wdl n ALA 72 N -2.45 -0.10 -0.29 0.04 0.00 0.47 0.87 120.51 119.05 2wdl n ALA 72 Ca 0.25 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.80 2wdl n ALA 72 Cb 0.84 0.19 0.25 0.00 0.00 0.00 0.00 19.45 20.74 2wdl n ALA 72 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2wdl h LEU 73 N 0.00 -0.19 0.00 0.00 6.46 -0.68 -1.62 115.31 119.27 2wdl h LEU 73 Ca 0.00 0.21 0.00 0.00 -0.12 0.00 0.00 57.88 57.97 2wdl h LEU 73 Cb 0.00 0.33 0.00 0.00 -0.73 0.00 0.00 40.66 40.26 2wdl h LEU 73 CO 0.00 -0.20 0.00 0.00 -0.62 0.00 0.00 178.44 177.62 2wdl n ALA 74 N -2.85 -0.03 -0.31 1.25 0.00 0.15 0.81 120.51 119.54 2wdl n ALA 74 Ca 0.20 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.76 2wdl n ALA 74 Cb 0.64 0.11 0.25 0.00 0.00 0.00 0.00 19.45 20.44 2wdl n ALA 74 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2wdl n GLU 75 N -0.85 -0.07 0.35 0.00 1.02 0.25 0.13 120.64 121.47 2wdl n GLU 75 Ca 0.00 1.32 -0.14 0.00 -0.02 0.00 0.00 57.16 58.32 2wdl n GLU 75 Cb 0.00 -2.09 -0.07 0.00 -0.02 0.00 0.00 31.44 29.27 2wdl n GLU 75 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 2wdl h LYS 76 N 0.00 -0.86 0.00 3.49 1.57 -1.18 -3.28 116.57 116.31 2wdl h LYS 76 Ca 0.52 0.06 0.00 0.00 -1.87 0.00 0.00 60.65 59.36 2wdl h LYS 76 Cb 1.05 0.20 0.00 0.00 0.08 0.00 0.00 32.23 33.56 2wdl h LYS 76 CO -0.83 -0.57 0.00 0.00 -0.57 0.00 0.00 179.45 177.47 2wdl n ALA 77 N -2.51 0.00 -0.22 3.86 0.00 0.24 -0.73 120.51 121.16 2wdl n ALA 77 Ca -0.11 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.48 2wdl n ALA 77 Cb 0.35 0.28 0.29 0.00 0.00 0.00 0.00 19.45 20.37 2wdl n ALA 77 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2wdl n LEU 78 N -1.96 0.07 -0.26 0.00 4.77 -0.69 -0.47 117.00 118.46 2wdl n LEU 78 Ca 0.00 1.10 -0.02 0.00 -0.03 0.00 0.00 56.01 57.06 2wdl n LEU 78 Cb 0.00 -0.46 0.04 0.00 -2.33 0.00 0.00 43.42 40.66 2wdl n LEU 78 CO 0.00 -1.17 0.64 0.00 -1.33 0.00 0.00 177.39 175.53 2wdl h ALA 79 N 1.31 0.15 -0.62 -1.18 0.00 -0.98 0.89 119.26 118.83 2wdl h ALA 79 Ca 0.47 0.23 -0.09 0.00 0.00 0.00 0.00 54.91 55.52 2wdl h ALA 79 Cb 1.13 0.78 -0.02 0.00 0.00 0.00 0.00 17.79 19.68 2wdl h ALA 79 CO -0.56 -0.59 0.02 -0.07 0.00 0.00 0.00 179.25 178.05 2wdl h LEU 80 N -0.09 1.05 0.00 0.00 4.07 -0.87 -3.47 115.31 116.01 2wdl h LEU 80 Ca 0.30 -0.30 0.00 0.00 0.08 0.00 0.00 57.88 57.96 2wdl h LEU 80 Cb 0.57 -0.28 0.00 0.00 1.08 0.00 0.00 40.66 42.03 2wdl h LEU 80 CO -0.78 1.09 0.00 0.61 -1.08 0.00 0.00 178.44 178.28 2wdl n GLY 81 N -0.44 -0.81 3.65 0.83 0.00 0.31 -5.14 105.19 103.59 2wdl n GLY 81 Ca 0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.72 2wdl n GLY 81 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2wdl n ILE 82 N 0.00 1.22 0.00 -0.61 2.08 -1.25 -4.90 119.36 115.90 2wdl n ILE 82 Ca 0.00 -0.15 0.00 0.00 0.56 0.00 0.00 62.75 63.16 2wdl n ILE 82 Cb 0.00 -1.07 0.00 0.00 -0.75 0.00 0.00 39.64 37.82 2wdl n ILE 82 CO 0.00 0.00 0.00 1.17 0.56 0.00 0.00 176.55 178.28 2wdl n LYS 83 N -3.34 0.00 -2.39 0.38 4.81 -1.26 -4.29 118.16 112.08 2wdl n LYS 83 Ca 0.12 0.00 -0.43 0.00 -0.87 0.00 0.00 58.31 57.14 2wdl n LYS 83 Cb 0.51 0.00 -0.02 0.00 0.02 0.00 0.00 35.03 35.54 2wdl n LYS 83 CO 0.00 0.00 0.00 -1.14 1.17 0.00 0.00 177.40 177.43 2wdl s GLN 84 N -0.02 4.00 0.15 1.64 2.00 -1.26 -0.70 119.66 125.48 2wdl s GLN 84 Ca 0.00 1.43 -0.08 0.00 -2.00 0.00 0.00 55.36 54.71 2wdl s GLN 84 Cb 0.00 -3.86 -0.01 0.00 0.80 0.00 0.00 33.01 29.94 2wdl s GLN 84 CO 0.00 -1.01 0.24 0.14 -0.50 0.00 0.00 175.29 174.16 2wdl s VAL 85 N 4.18 0.08 -0.05 1.34 -7.23 -1.26 -4.81 120.40 112.64 2wdl s VAL 85 Ca 0.57 -1.46 -0.04 0.00 -1.81 0.00 0.00 61.98 59.24 2wdl s VAL 85 Cb -0.19 -1.84 -0.04 0.00 0.56 0.00 0.00 36.38 34.86 2wdl s VAL 85 CO 0.21 -0.35 0.14 0.00 -0.31 0.00 0.00 175.10 174.80 2wdl s ALA 86 N -3.97 3.85 0.87 1.32 0.00 0.07 -4.23 121.76 119.66 2wdl s ALA 86 Ca 0.18 -0.73 0.00 0.00 0.00 0.00 0.00 51.96 51.40 2wdl s ALA 86 Cb 0.04 -1.86 0.00 0.00 0.00 0.00 0.00 23.12 21.30 2wdl s ALA 86 CO -0.00 0.68 0.00 0.34 0.00 0.00 0.00 175.76 176.78 2wdl n PHE 87 N 1.43 0.00 0.00 0.00 7.35 -1.26 -2.23 117.46 122.75 2wdl n PHE 87 Ca -0.15 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.54 2wdl n PHE 87 Cb 0.54 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.37 2wdl n PHE 87 CO 0.00 0.00 0.00 -3.47 -0.76 0.00 0.00 176.76 172.53 2wdl n ASP 88 N 0.00 0.00 -1.44 -2.13 4.64 -1.25 -3.64 116.55 112.74 2wdl n ASP 88 Ca 0.00 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.41 2wdl n ASP 88 Cb 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.08 2wdl n ASP 88 CO 0.00 0.00 0.00 -1.14 -0.82 0.00 0.00 177.20 175.24 2wdl n ARG 89 N 0.00 -1.90 0.00 -0.67 0.00 -1.26 -4.67 116.66 108.15 2wdl n ARG 89 Ca 0.00 1.69 0.00 0.00 -0.00 0.00 0.00 57.85 59.54 2wdl n ARG 89 Cb 0.00 -1.97 0.00 0.00 0.00 0.00 0.00 32.46 30.49 2wdl n ARG 89 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2wdl n GLY 90 N 0.67 -0.19 1.55 5.14 0.00 -1.26 -2.17 105.19 108.93 2wdl n GLY 90 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2wdl n GLY 90 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2wdl n PRO 91 N 0.00 0.88 -0.29 1.61 -0.04 -1.26 -4.64 135.00 131.25 2wdl n PRO 91 Ca 0.00 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.38 2wdl n PRO 91 Cb 0.00 -1.06 -0.07 0.00 -0.04 0.00 0.00 33.50 32.33 2wdl n PRO 91 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 2wdl n TYR 92 N 1.55 -0.31 -2.06 0.54 4.11 -0.92 -4.82 117.16 115.25 2wdl n TYR 92 Ca 0.00 0.87 -0.19 0.00 -0.00 0.00 0.00 57.90 58.59 2wdl n TYR 92 Cb 0.44 -0.55 -0.03 0.00 -0.00 0.00 0.00 39.34 39.19 2wdl n TYR 92 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.86 178.03 2wdl n LYS 93 N -4.85 -1.41 -0.08 -3.48 3.00 -1.26 -4.34 118.16 105.73 2wdl n LYS 93 Ca 0.01 0.99 0.00 0.00 -0.00 0.00 0.00 58.31 59.31 2wdl n LYS 93 Cb 0.18 -5.43 0.00 0.00 0.00 0.00 0.00 35.03 29.78 2wdl n LYS 93 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.40 178.38 2wdl n TYR 94 N -3.46 0.00 -3.54 5.64 9.36 -1.26 -4.86 117.16 119.04 2wdl n TYR 94 Ca -0.21 0.00 -0.15 0.00 3.32 0.00 0.00 57.90 60.86 2wdl n TYR 94 Cb 0.65 0.00 -0.06 0.00 -0.63 0.00 0.00 39.34 39.30 2wdl n TYR 94 CO 0.00 0.00 0.00 -1.58 0.22 0.00 0.00 176.86 175.50 2wdl s HIS 95 N 0.00 -0.56 0.00 2.98 2.46 -1.26 -5.10 115.29 113.81 2wdl s HIS 95 Ca 0.00 0.95 0.00 0.00 0.47 0.00 0.00 55.06 56.48 2wdl s HIS 95 Cb 0.00 0.43 0.00 0.00 -0.13 0.00 0.00 32.58 32.88 2wdl s HIS 95 CO 0.00 -0.52 0.00 0.41 -2.47 0.00 0.00 174.74 172.16 2wdl n GLY 96 N 0.82 0.05 0.77 1.59 0.00 -1.26 -4.32 105.19 102.84 2wdl n GLY 96 Ca -0.16 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.64 2wdl n GLY 96 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2wdl n ARG 97 N -0.11 -0.88 -2.22 1.61 -4.01 -1.26 -4.72 116.66 105.07 2wdl n ARG 97 Ca 0.00 0.00 -0.42 0.00 -1.04 0.00 0.00 57.85 56.39 2wdl n ARG 97 Cb 0.00 -2.21 -0.03 0.00 -3.04 0.00 0.00 32.46 27.18 2wdl n ARG 97 CO 0.00 0.00 0.00 0.08 -3.04 0.00 0.00 177.63 174.67 2wdl s VAL 98 N -0.66 3.50 -0.71 8.89 1.01 -1.26 -4.86 120.40 126.31 2wdl s VAL 98 Ca 0.00 1.05 -0.06 0.00 0.00 0.00 0.00 61.98 62.98 2wdl s VAL 98 Cb 0.00 -3.67 -0.02 0.00 0.00 0.00 0.00 36.38 32.69 2wdl s VAL 98 CO 0.00 0.07 2.90 0.29 0.00 0.00 0.00 175.10 178.36 2wdl n LYS 99 N 4.19 3.02 -0.70 2.72 4.76 -1.25 -4.53 118.16 126.37 2wdl n LYS 99 Ca 0.11 -2.29 -0.14 0.00 -2.87 0.00 0.00 58.31 53.12 2wdl n LYS 99 Cb 0.43 -2.32 -0.07 0.00 -1.84 0.00 0.00 35.03 31.24 2wdl n LYS 99 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2wdl n ALA 100 N 1.81 4.62 -2.50 7.82 0.00 -1.26 -4.66 120.51 126.34 2wdl n ALA 100 Ca 0.55 -1.57 -0.32 0.00 0.00 0.00 0.00 53.44 52.10 2wdl n ALA 100 Cb 0.52 -2.61 -0.05 0.00 0.00 0.00 0.00 19.45 17.31 2wdl n ALA 100 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 2wdl s LEU 101 N 0.04 4.20 0.00 0.00 -0.00 -1.26 -4.86 118.68 116.80 2wdl s LEU 101 Ca 0.42 0.81 0.00 0.00 -0.00 0.00 0.00 54.13 55.36 2wdl s LEU 101 Cb 0.16 -3.55 0.00 0.00 -0.00 0.00 0.00 46.19 42.80 2wdl s LEU 101 CO -0.02 -0.03 0.00 0.00 -0.00 0.00 0.00 176.35 176.31 2wdl n ALA 102 N -0.05 0.00 -0.10 1.48 0.00 -1.26 -4.57 120.51 116.00 2wdl n ALA 102 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 2wdl n ALA 102 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 2wdl n ALA 102 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2wdl n GLU 103 N 0.00 0.00 -1.10 0.00 -0.58 -1.26 -4.73 120.64 112.96 2wdl n GLU 103 Ca 0.00 0.00 -0.43 0.00 -0.42 0.00 0.00 57.16 56.31 2wdl n GLU 103 Cb 0.00 0.00 -0.06 0.00 -0.57 0.00 0.00 31.44 30.81 2wdl n GLU 103 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2wdl n GLY 104 N 0.00 -0.05 0.76 0.62 0.00 -1.26 -4.71 105.19 100.55 2wdl n GLY 104 Ca 0.00 0.60 0.00 0.00 0.00 0.00 0.00 46.02 46.62 2wdl n GLY 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wdl n ALA 105 N 1.78 2.25 0.00 4.61 0.00 0.12 -4.03 120.51 125.25 2wdl n ALA 105 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.61 2wdl n ALA 105 Cb 0.01 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.46 2wdl n ALA 105 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2wdl n ARG 106 N 0.36 0.00 -3.10 0.00 0.00 -1.06 -4.28 116.66 108.59 2wdl n ARG 106 Ca 0.00 0.25 -0.00 0.00 -0.00 0.00 0.00 57.85 58.10 2wdl n ARG 106 Cb 0.31 -1.61 -0.00 0.00 0.00 0.00 0.00 32.46 31.15 2wdl n ARG 106 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.63 175.72 2wdl n GLU 107 N -1.20 -1.05 0.00 -0.14 4.07 -1.26 -4.61 120.64 116.45 2wdl n GLU 107 Ca 0.00 1.16 0.00 0.00 -0.06 0.00 0.00 57.16 58.26 2wdl n GLU 107 Cb 0.11 -1.12 0.00 0.00 -0.06 0.00 0.00 31.44 30.38 2wdl n GLU 107 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2wdl n GLY 108 N 1.99 0.07 0.00 8.31 0.00 -1.26 -4.93 105.19 109.37 2wdl n GLY 108 Ca -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 2wdl n GLY 108 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93