#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wdn s HIS 3 N 0.00 3.64 -0.21 0.00 4.02 -1.26 -5.04 115.29 116.44 2wdn s HIS 3 Ca 0.00 0.69 0.04 0.00 1.02 0.00 0.00 55.06 56.82 2wdn s HIS 3 Cb 0.00 -2.07 -0.16 0.00 -1.02 0.00 0.00 32.58 29.33 2wdn s HIS 3 CO 0.00 0.68 -0.15 1.17 1.02 0.00 0.00 174.74 177.46 2wdn n LYS 4 N 1.74 0.67 -0.79 1.40 4.81 -1.26 -5.13 118.16 119.61 2wdn n LYS 4 Ca -0.16 0.10 0.00 0.00 -0.87 0.00 0.00 58.31 57.38 2wdn n LYS 4 Cb 0.54 -1.45 0.00 0.00 0.02 0.00 0.00 35.03 34.14 2wdn n LYS 4 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 2wdn n LYS 5 N -3.05 -1.74 -0.68 1.64 4.76 -1.26 -5.00 118.16 112.82 2wdn n LYS 5 Ca -0.37 1.40 -0.29 0.00 -2.87 0.00 0.00 58.31 56.19 2wdn n LYS 5 Cb 0.95 -1.36 0.23 0.00 -1.84 0.00 0.00 35.03 33.01 2wdn n LYS 5 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 2wdn s GLY 6 N -0.78 1.56 0.00 0.72 0.00 -1.26 -5.03 107.32 102.53 2wdn s GLY 6 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 44.72 44.61 2wdn s GLY 6 CO 0.00 0.56 0.00 1.04 0.00 0.00 0.00 173.10 174.70 2wdn n LEU 7 N -4.72 0.00 0.00 0.66 4.77 -1.26 -5.19 117.00 111.27 2wdn n LEU 7 Ca 0.04 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.02 2wdn n LEU 7 Cb 0.55 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.64 2wdn n LEU 7 CO 0.57 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.24 2wdn n GLY 8 N 0.00 -2.93 0.00 -0.72 0.00 -1.26 -5.14 105.19 95.14 2wdn n GLY 8 Ca 0.00 -1.08 0.00 0.00 0.00 0.00 0.00 46.02 44.94 2wdn n GLY 8 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2wdn n SER 9 N -0.68 0.00 -0.49 1.61 3.41 -1.26 -5.17 113.62 111.04 2wdn n SER 9 Ca 0.00 0.00 0.03 0.00 -0.26 0.00 0.00 58.87 58.64 2wdn n SER 9 Cb 0.00 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 63.94 2wdn n SER 9 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 2wdn n THR 10 N 0.00 -0.66 -1.34 6.66 -1.04 -1.26 -4.95 114.28 111.69 2wdn n THR 10 Ca 0.00 0.40 0.00 0.00 -2.04 0.00 0.00 64.05 62.41 2wdn n THR 10 Cb 0.00 -0.64 0.00 0.00 -1.82 0.00 0.00 70.33 67.87 2wdn n THR 10 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 2wdn n ARG 11 N -2.26 0.00 0.00 -2.82 1.74 -1.26 -5.08 116.66 106.98 2wdn n ARG 11 Ca -0.01 -0.14 0.00 0.00 -0.77 0.00 0.00 57.85 56.93 2wdn n ARG 11 Cb 0.19 -0.33 0.00 0.00 -1.02 0.00 0.00 32.46 31.30 2wdn n ARG 11 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2wdn n ASN 12 N 0.00 0.00 -3.74 0.55 3.02 -1.26 -4.90 115.26 108.93 2wdn n ASN 12 Ca 0.00 0.00 -0.24 0.00 -0.03 0.00 0.00 54.58 54.31 2wdn n ASN 12 Cb 0.35 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.52 2wdn n ASN 12 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2wdn n GLY 13 N 5.00 -1.24 3.41 7.41 0.00 -1.26 -4.96 105.19 113.56 2wdn n GLY 13 Ca 0.00 0.57 -0.15 0.00 0.00 0.00 0.00 46.02 46.44 2wdn n GLY 13 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2wdn s ARG 14 N -4.85 0.77 -0.30 1.61 3.52 -1.26 -5.17 118.95 113.27 2wdn s ARG 14 Ca 0.01 0.36 -0.17 0.00 -0.13 0.00 0.00 55.73 55.79 2wdn s ARG 14 Cb -0.00 0.36 0.20 0.00 -1.56 0.00 0.00 34.95 33.95 2wdn s ARG 14 CO 0.85 -0.18 1.24 0.34 -0.81 0.00 0.00 175.30 176.73 2wdn s ASP 15 N -0.59 -0.12 0.42 -2.12 2.15 -1.26 -5.14 116.67 110.02 2wdn s ASP 15 Ca -0.07 0.18 -0.25 0.00 0.43 0.00 0.00 52.55 52.84 2wdn s ASP 15 Cb -0.03 1.08 -0.10 0.00 -0.30 0.00 0.00 42.92 43.57 2wdn s ASP 15 CO 0.04 -0.03 1.11 -1.54 -0.17 0.00 0.00 175.17 174.59 2wdn n SER 16 N 3.63 1.73 -4.72 -0.34 3.41 -1.26 -4.89 113.62 111.19 2wdn n SER 16 Ca -0.14 1.06 -0.42 0.00 -0.26 0.00 0.00 58.87 59.11 2wdn n SER 16 Cb 0.56 -1.41 -0.03 0.00 -0.26 0.00 0.00 64.21 63.07 2wdn n SER 16 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2wdn s GLN 17 N -2.09 4.37 0.24 4.33 -2.07 -1.26 -4.93 119.66 118.24 2wdn s GLN 17 Ca 0.63 1.97 -0.27 0.00 -1.82 0.00 0.00 55.36 55.87 2wdn s GLN 17 Cb -0.54 -3.27 -0.16 0.00 -1.09 0.00 0.00 33.01 27.94 2wdn s GLN 17 CO 0.57 -0.35 0.53 0.00 -1.32 0.00 0.00 175.29 174.71 2wdn n ALA 18 N 3.78 -2.59 -0.99 2.60 0.00 -1.26 -4.89 120.51 117.16 2wdn n ALA 18 Ca 0.10 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.94 2wdn n ALA 18 Cb 0.44 -1.64 0.35 0.00 0.00 0.00 0.00 19.45 18.59 2wdn n ALA 18 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2wdn n LYS 19 N 0.99 4.18 -3.44 0.00 4.76 -1.26 -4.98 118.16 118.41 2wdn n LYS 19 Ca 0.16 -3.12 -0.18 0.00 -2.87 0.00 0.00 58.31 52.30 2wdn n LYS 19 Cb 0.28 -2.22 0.00 0.00 -1.84 0.00 0.00 35.03 31.24 2wdn n LYS 19 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2wdn n ARG 20 N 0.14 -1.08 -3.80 1.97 5.12 -1.26 -4.93 116.66 112.82 2wdn n ARG 20 Ca 0.34 0.51 -0.22 0.00 -1.93 0.00 0.00 57.85 56.55 2wdn n ARG 20 Cb 1.28 -1.57 -0.02 0.00 -1.16 0.00 0.00 32.46 31.00 2wdn n ARG 20 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 2wdn s LEU 21 N -4.19 4.23 0.00 0.55 1.43 -1.26 -4.97 118.68 114.48 2wdn s LEU 21 Ca 0.01 0.19 0.00 0.00 -1.03 0.00 0.00 54.13 53.30 2wdn s LEU 21 Cb -0.00 -3.00 0.00 0.00 0.03 0.00 0.00 46.19 43.22 2wdn s LEU 21 CO 0.64 -0.13 0.00 0.61 0.23 0.00 0.00 176.35 177.71 2wdn n GLY 22 N -1.45 0.74 3.63 -3.19 0.00 -0.79 -4.97 105.19 99.15 2wdn n GLY 22 Ca -0.08 -1.84 -0.42 0.00 0.00 0.00 0.00 46.02 43.68 2wdn n GLY 22 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wdn s VAL 23 N -1.99 4.77 -1.99 1.61 1.01 -1.26 0.26 120.40 122.82 2wdn s VAL 23 Ca 0.00 1.37 0.26 0.00 0.00 0.00 0.00 61.98 63.61 2wdn s VAL 23 Cb 0.00 -4.17 0.28 0.00 0.00 0.00 0.00 36.38 32.49 2wdn s VAL 23 CO 0.00 -0.22 1.52 0.29 0.00 0.00 0.00 175.10 176.69 2wdn n LYS 24 N 6.22 1.11 -3.77 2.72 4.76 0.20 -4.85 118.16 124.55 2wdn n LYS 24 Ca 0.05 -0.71 -0.13 0.00 -2.87 0.00 0.00 58.31 54.65 2wdn n LYS 24 Cb 0.48 -1.49 -0.11 0.00 -1.84 0.00 0.00 35.03 32.07 2wdn n LYS 24 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 2wdn s ARG 25 N -2.38 0.37 0.24 1.97 1.81 -1.09 -4.93 118.95 114.93 2wdn s ARG 25 Ca 0.26 0.40 0.09 0.00 -1.72 0.00 0.00 55.73 54.77 2wdn s ARG 25 Cb 0.19 0.18 -0.04 0.00 -0.45 0.00 0.00 34.95 34.83 2wdn s ARG 25 CO 0.48 -0.05 -0.04 0.71 -0.68 0.00 0.00 175.30 175.73 2wdn s TYR 26 N 0.12 2.66 -0.25 -0.53 1.51 -1.26 -4.92 117.35 114.68 2wdn s TYR 26 Ca -0.00 -0.22 -0.39 0.00 -1.01 0.00 0.00 57.07 55.45 2wdn s TYR 26 Cb -0.02 -1.21 -0.14 0.00 -0.11 0.00 0.00 41.96 40.47 2wdn s TYR 26 CO 0.01 0.60 1.82 -1.91 -1.11 0.00 0.00 175.55 174.95 2wdn n GLU 27 N -0.62 1.37 0.00 -0.62 2.13 -1.25 -1.14 120.64 120.51 2wdn n GLU 27 Ca -0.07 0.50 0.00 0.00 0.66 0.00 0.00 57.16 58.24 2wdn n GLU 27 Cb 0.58 -2.25 0.00 0.00 0.27 0.00 0.00 31.44 30.04 2wdn n GLU 27 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2wdn n GLY 28 N 4.45 1.37 3.76 8.31 0.00 0.16 -4.98 105.19 118.27 2wdn n GLY 28 Ca 0.27 -0.33 -0.39 0.00 0.00 0.00 0.00 46.02 45.56 2wdn n GLY 28 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2wdn s GLN 29 N 0.00 4.47 -0.12 1.61 -0.21 -0.29 -4.73 119.66 120.39 2wdn s GLN 29 Ca 0.00 1.78 -0.27 0.00 0.02 0.00 0.00 55.36 56.89 2wdn s GLN 29 Cb 0.00 -3.00 -0.02 0.00 1.00 0.00 0.00 33.01 30.99 2wdn s GLN 29 CO 0.00 0.06 0.89 0.08 -2.12 0.00 0.00 175.29 174.20 2wdn s VAL 30 N -1.28 4.87 0.22 1.09 1.01 -1.26 -2.21 120.40 122.84 2wdn s VAL 30 Ca 0.49 1.78 0.11 0.00 0.00 0.00 0.00 61.98 64.35 2wdn s VAL 30 Cb -0.30 -4.20 -0.05 0.00 0.00 0.00 0.00 36.38 31.83 2wdn s VAL 30 CO 0.39 0.06 -0.20 0.68 0.00 0.00 0.00 175.10 176.02 2wdn s VAL 31 N 1.85 2.24 0.27 2.92 -7.23 -0.81 -5.00 120.40 114.63 2wdn s VAL 31 Ca 0.43 -2.18 0.07 0.00 -1.81 0.00 0.00 61.98 58.49 2wdn s VAL 31 Cb -0.18 -2.14 -0.03 0.00 0.56 0.00 0.00 36.38 34.59 2wdn s VAL 31 CO 0.16 -0.32 0.20 -0.13 -0.31 0.00 0.00 175.10 174.70 2wdn s ARG 32 N -3.14 2.82 0.11 4.82 0.52 -1.26 -1.83 118.95 120.99 2wdn s ARG 32 Ca 0.24 -1.14 -0.32 0.00 -0.52 0.00 0.00 55.73 53.99 2wdn s ARG 32 Cb -0.06 -2.50 -0.11 0.00 0.52 0.00 0.00 34.95 32.80 2wdn s ARG 32 CO 0.11 0.33 1.80 0.00 0.02 0.00 0.00 175.30 177.57 2wdn n ALA 33 N -1.19 1.97 0.00 2.13 0.00 -1.26 -1.89 120.51 120.27 2wdn n ALA 33 Ca -0.06 0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.71 2wdn n ALA 33 Cb 0.58 -2.55 0.00 0.00 0.00 0.00 0.00 19.45 17.49 2wdn n ALA 33 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wdn n GLY 34 N 4.13 3.40 3.31 0.00 0.00 -1.02 -4.96 105.19 110.05 2wdn n GLY 34 Ca 0.18 -1.02 -0.57 0.00 0.00 0.00 0.00 46.02 44.62 2wdn n GLY 34 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2wdn n ASN 35 N 0.07 0.27 -4.79 1.61 3.02 -0.79 -4.42 115.26 110.23 2wdn n ASN 35 Ca 0.00 1.09 -0.38 0.00 -0.03 0.00 0.00 54.58 55.26 2wdn n ASN 35 Cb 0.00 -0.85 -0.06 0.00 -0.61 0.00 0.00 39.78 38.26 2wdn n ASN 35 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 2wdn s ILE 36 N 0.69 4.36 -0.18 2.41 -5.25 -1.26 0.34 121.20 122.31 2wdn s ILE 36 Ca 0.88 1.63 0.07 0.00 -0.99 0.00 0.00 60.65 62.25 2wdn s ILE 36 Cb -1.23 -4.03 -0.16 0.00 2.95 0.00 0.00 42.46 39.99 2wdn s ILE 36 CO 0.59 0.31 -0.07 0.18 -1.79 0.00 0.00 174.94 174.16 2wdn n LEU 37 N 1.00 1.55 -3.74 0.37 4.77 0.39 -4.51 117.00 116.82 2wdn n LEU 37 Ca -0.02 -0.06 -0.12 0.00 -0.03 0.00 0.00 56.01 55.78 2wdn n LEU 37 Cb 0.50 -0.18 -0.12 0.00 -2.33 0.00 0.00 43.42 41.29 2wdn n LEU 37 CO 0.45 0.62 -0.05 -0.69 -1.33 0.00 0.00 177.39 176.39 2wdn s VAL 38 N -2.39 -0.02 -0.83 4.08 1.01 -0.68 0.62 120.40 122.19 2wdn s VAL 38 Ca -0.18 0.08 -0.08 0.00 0.00 0.00 0.00 61.98 61.80 2wdn s VAL 38 Cb 0.06 -0.45 0.21 0.00 0.00 0.00 0.00 36.38 36.20 2wdn s VAL 38 CO 0.55 0.03 0.73 -0.13 0.00 0.00 0.00 175.10 176.28 2wdn s ARG 39 N 0.83 3.35 0.03 2.72 1.81 0.14 -1.79 118.95 126.04 2wdn s ARG 39 Ca -0.06 -2.77 -0.01 0.00 -1.72 0.00 0.00 55.73 51.18 2wdn s ARG 39 Cb -0.07 -4.16 -0.04 0.00 -0.45 0.00 0.00 34.95 30.23 2wdn s ARG 39 CO -0.06 -1.24 0.19 1.14 -0.68 0.00 0.00 175.30 174.65 2wdn s GLN 40 N -0.43 3.40 0.03 3.54 -2.07 -1.26 -1.88 119.66 120.98 2wdn s GLN 40 Ca 0.22 -0.41 -0.24 0.00 -1.82 0.00 0.00 55.36 53.11 2wdn s GLN 40 Cb -0.12 -3.04 -0.13 0.00 -1.09 0.00 0.00 33.01 28.62 2wdn s GLN 40 CO -0.08 0.63 1.19 0.00 -1.32 0.00 0.00 175.29 175.72 2wdn h ARG 41 N 3.41 -0.83 0.00 9.60 -0.00 -1.92 -3.42 114.38 121.21 2wdn h ARG 41 Ca -0.47 0.06 0.00 0.00 -0.50 0.00 0.00 59.98 59.07 2wdn h ARG 41 Cb 1.17 0.19 0.00 0.00 0.00 0.00 0.00 29.97 31.33 2wdn h ARG 41 CO 0.72 -0.55 0.00 0.41 0.00 0.00 0.00 179.97 180.55 2wdn n GLY 42 N -0.96 2.95 2.79 0.04 0.00 -1.26 -4.89 105.19 103.87 2wdn n GLY 42 Ca -0.11 -1.01 -0.37 0.00 0.00 0.00 0.00 46.02 44.54 2wdn n GLY 42 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2wdn n THR 43 N 0.00 3.42 0.05 2.61 5.66 -1.26 -4.75 114.28 120.02 2wdn n THR 43 Ca 0.00 -4.58 0.03 0.00 -3.05 0.00 0.00 64.05 56.45 2wdn n THR 43 Cb 0.00 -1.27 0.18 0.00 -1.55 0.00 0.00 70.33 67.69 2wdn n THR 43 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 2wdn n ARG 44 N -0.49 0.04 -3.48 1.09 1.74 -1.26 -4.08 116.66 110.22 2wdn n ARG 44 Ca 0.49 0.52 -0.13 0.00 -0.77 0.00 0.00 57.85 57.97 2wdn n ARG 44 Cb 0.34 -1.68 -0.11 0.00 -1.02 0.00 0.00 32.46 30.00 2wdn n ARG 44 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 2wdn s PHE 45 N -3.13 -0.56 0.40 -1.55 0.40 -1.26 -4.67 117.98 107.60 2wdn s PHE 45 Ca -0.01 0.71 -0.24 0.00 -0.60 0.00 0.00 56.93 56.79 2wdn s PHE 45 Cb 0.02 -0.10 -0.09 0.00 0.51 0.00 0.00 43.02 43.37 2wdn s PHE 45 CO 0.06 -0.59 1.09 0.15 0.70 0.00 0.00 175.22 176.63 2wdn s LYS 46 N 2.45 4.11 0.28 0.44 1.02 0.22 -4.89 119.74 123.38 2wdn s LYS 46 Ca 0.07 1.62 -0.29 0.00 0.02 0.00 0.00 55.97 57.39 2wdn s LYS 46 Cb -0.15 -2.58 -0.09 0.00 -0.52 0.00 0.00 37.83 34.49 2wdn s LYS 46 CO -0.13 -0.21 1.15 -1.25 -0.92 0.00 0.00 175.35 173.99 2wdn s PRO 47 N -2.43 4.57 0.00 -1.68 0.04 -1.26 -2.55 135.00 131.69 2wdn s PRO 47 Ca 0.58 1.89 0.00 0.00 0.04 0.00 0.00 61.00 63.51 2wdn s PRO 47 Cb -0.25 -3.17 0.00 0.00 0.04 0.00 0.00 34.50 31.12 2wdn s PRO 47 CO 0.31 0.09 0.00 0.41 0.04 0.00 0.00 177.00 177.86 2wdn n GLY 48 N 1.26 4.11 3.48 0.56 0.00 0.56 -4.79 105.19 110.36 2wdn n GLY 48 Ca -0.00 -1.82 -0.49 0.00 0.00 0.00 0.00 46.02 43.71 2wdn n GLY 48 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2wdn n LYS 49 N 0.00 1.26 -3.30 1.61 5.02 -1.26 -1.47 118.16 120.02 2wdn n LYS 49 Ca 0.00 0.34 -0.17 0.00 -2.02 0.00 0.00 58.31 56.45 2wdn n LYS 49 Cb 0.00 -2.63 0.06 0.00 -0.02 0.00 0.00 35.03 32.44 2wdn n LYS 49 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2wdn n ASN 50 N 10.28 -4.97 -3.73 4.39 3.02 -1.26 -0.00 115.26 122.99 2wdn n ASN 50 Ca 0.39 -0.41 -0.22 0.00 -0.03 0.00 0.00 54.58 54.32 2wdn n ASN 50 Cb 0.28 -3.89 -0.18 0.00 -0.61 0.00 0.00 39.78 35.38 2wdn n ASN 50 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2wdn s VAL 51 N -3.24 0.16 -0.02 2.41 1.01 -0.54 -1.74 120.40 118.44 2wdn s VAL 51 Ca 0.40 0.26 0.01 0.00 0.00 0.00 0.00 61.98 62.65 2wdn s VAL 51 Cb -0.18 -0.36 -0.04 0.00 0.00 0.00 0.00 36.38 35.81 2wdn s VAL 51 CO 0.54 0.22 -0.00 -0.83 0.00 0.00 0.00 175.10 175.04 2wdn s GLY 52 N 2.06 1.87 0.07 4.51 0.00 -0.57 -4.03 107.32 111.23 2wdn s GLY 52 Ca 0.05 -0.92 0.09 0.00 0.00 0.00 0.00 44.72 43.94 2wdn s GLY 52 CO -0.04 -0.77 -0.25 -3.16 0.00 0.00 0.00 173.10 168.88 2wdn s MET 53 N -1.43 1.72 0.00 2.90 0.23 -1.26 0.20 119.30 121.66 2wdn s MET 53 Ca 0.18 -1.17 0.00 0.00 -1.03 0.00 0.00 55.69 53.68 2wdn s MET 53 Cb -0.11 -2.00 0.00 0.00 -1.53 0.00 0.00 34.83 31.19 2wdn s MET 53 CO 0.09 0.50 0.00 0.41 -2.03 0.00 0.00 175.02 173.98 2wdn n GLY 54 N 1.43 2.53 0.36 3.16 0.00 0.23 -4.89 105.19 108.01 2wdn n GLY 54 Ca -0.17 -2.11 -0.02 0.00 0.00 0.00 0.00 46.02 43.72 2wdn n GLY 54 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2wdn h ARG 55 N 0.00 -0.06 -0.00 1.61 3.08 -2.01 0.87 114.38 117.87 2wdn h ARG 55 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2wdn h ARG 55 Cb 0.00 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.06 2wdn h ARG 55 CO 0.00 -0.04 0.00 -0.40 -1.07 0.00 0.00 179.97 178.46 2wdn n ASP 56 N -5.47 0.10 0.00 7.04 3.85 -1.26 -4.86 116.55 115.96 2wdn n ASP 56 Ca 0.08 -1.05 0.00 0.00 -0.71 0.00 0.00 54.79 53.11 2wdn n ASP 56 Cb 0.39 -0.00 0.00 0.00 -1.35 0.00 0.00 41.12 40.16 2wdn n ASP 56 CO 0.00 0.00 0.00 0.49 -1.01 0.00 0.00 177.20 176.68 2wdn n PHE 57 N -0.91 0.00 -2.35 2.11 3.72 0.30 -4.73 117.46 115.60 2wdn n PHE 57 Ca 0.23 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.21 2wdn n PHE 57 Cb 0.13 -0.08 -0.03 0.00 -0.94 0.00 0.00 39.48 38.56 2wdn n PHE 57 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 2wdn s THR 58 N -2.00 4.04 -0.09 4.37 2.01 -1.25 -4.28 115.64 118.45 2wdn s THR 58 Ca 0.00 1.37 -0.15 0.00 0.31 0.00 0.00 61.69 63.23 2wdn s THR 58 Cb 0.00 -3.88 -0.05 0.00 0.01 0.00 0.00 72.50 68.58 2wdn s THR 58 CO 0.00 -0.02 0.37 -0.76 -0.69 0.00 0.00 174.62 173.52 2wdn s LEU 59 N 2.52 4.35 0.04 4.42 1.43 -0.74 -0.60 118.68 130.10 2wdn s LEU 59 Ca 0.59 0.75 0.01 0.00 -1.03 0.00 0.00 54.13 54.45 2wdn s LEU 59 Cb -0.27 -2.51 -0.03 0.00 0.03 0.00 0.00 46.19 43.42 2wdn s LEU 59 CO 0.23 0.19 -0.05 0.72 0.23 0.00 0.00 176.35 177.67 2wdn s PHE 60 N -0.20 0.48 0.64 0.29 -0.12 0.13 0.15 117.98 119.34 2wdn s PHE 60 Ca 0.21 -0.64 -0.18 0.00 -0.05 0.00 0.00 56.93 56.27 2wdn s PHE 60 Cb -0.15 -0.31 -0.01 0.00 -0.63 0.00 0.00 43.02 41.91 2wdn s PHE 60 CO 0.09 -0.18 1.29 0.00 -0.05 0.00 0.00 175.22 176.36 2wdn n ALA 61 N 1.18 1.15 0.13 1.99 0.00 0.15 -1.52 120.51 123.60 2wdn n ALA 61 Ca -0.21 0.01 0.03 0.00 0.00 0.00 0.00 53.44 53.27 2wdn n ALA 61 Cb 0.56 -2.32 -0.04 0.00 0.00 0.00 0.00 19.45 17.66 2wdn n ALA 61 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2wdn n LEU 62 N -1.79 0.13 -3.72 0.00 4.77 -0.71 -2.45 117.00 113.23 2wdn n LEU 62 Ca 0.15 -0.25 -0.12 0.00 -0.03 0.00 0.00 56.01 55.77 2wdn n LEU 62 Cb 0.48 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.50 2wdn n LEU 62 CO 0.48 0.03 0.08 0.68 -1.33 0.00 0.00 177.39 177.32 2wdn s VAL 63 N -1.96 0.07 -0.43 4.08 -7.23 -1.26 -4.79 120.40 108.89 2wdn s VAL 63 Ca -0.00 -0.59 -0.27 0.00 -1.81 0.00 0.00 61.98 59.30 2wdn s VAL 63 Cb 0.04 -0.94 -0.03 0.00 0.56 0.00 0.00 36.38 36.01 2wdn s VAL 63 CO 0.23 -0.33 1.93 -1.81 -0.31 0.00 0.00 175.10 174.82 2wdn s ASP 64 N -2.04 5.47 0.00 4.85 1.11 -1.26 -4.14 116.67 120.66 2wdn s ASP 64 Ca -0.05 1.03 0.00 0.00 0.18 0.00 0.00 52.55 53.71 2wdn s ASP 64 Cb -0.01 -2.52 0.00 0.00 1.07 0.00 0.00 42.92 41.46 2wdn s ASP 64 CO -0.03 -2.09 0.00 0.61 1.18 0.00 0.00 175.17 174.84 2wdn n GLY 65 N 5.61 4.21 3.05 0.21 0.00 -0.76 -3.95 105.19 113.56 2wdn n GLY 65 Ca 0.25 -0.35 -0.20 0.00 0.00 0.00 0.00 46.02 45.72 2wdn n GLY 65 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wdn s VAL 66 N 0.46 0.85 -0.17 1.61 1.01 -0.91 -1.93 120.40 121.32 2wdn s VAL 66 Ca 0.00 -0.48 -0.28 0.00 0.00 0.00 0.00 61.98 61.22 2wdn s VAL 66 Cb 0.00 -0.71 -0.01 0.00 0.00 0.00 0.00 36.38 35.66 2wdn s VAL 66 CO 0.00 0.23 0.96 -0.69 0.00 0.00 0.00 175.10 175.59 2wdn s VAL 67 N -0.28 4.78 -0.13 2.92 1.01 -0.94 -1.84 120.40 125.92 2wdn s VAL 67 Ca 0.04 1.90 0.01 0.00 0.00 0.00 0.00 61.98 63.93 2wdn s VAL 67 Cb -0.04 -4.25 0.02 0.00 0.00 0.00 0.00 36.38 32.10 2wdn s VAL 67 CO -0.00 -0.05 -0.16 -1.83 0.00 0.00 0.00 175.10 173.06 2wdn s GLU 68 N 2.44 2.44 -0.20 2.72 -1.05 -0.66 0.40 118.70 124.79 2wdn s GLU 68 Ca 0.43 -0.63 -0.16 0.00 -0.15 0.00 0.00 54.97 54.46 2wdn s GLU 68 Cb -0.17 -2.11 -0.04 0.00 -0.44 0.00 0.00 34.13 31.38 2wdn s GLU 68 CO 0.12 -0.13 0.42 -0.06 0.95 0.00 0.00 175.26 176.57 2wdn s PHE 69 N 1.16 3.38 0.03 4.83 0.40 -1.26 -0.13 117.98 126.38 2wdn s PHE 69 Ca -0.02 0.65 0.08 0.00 -0.60 0.00 0.00 56.93 57.05 2wdn s PHE 69 Cb -0.14 -2.55 -0.02 0.00 0.51 0.00 0.00 43.02 40.81 2wdn s PHE 69 CO -0.06 -0.02 -0.23 -1.14 0.70 0.00 0.00 175.22 174.47 2wdn s GLN 70 N 1.35 1.66 -0.08 0.44 -0.44 0.12 -4.99 119.66 117.71 2wdn s GLN 70 Ca 0.20 -0.97 0.00 0.00 -2.50 0.00 0.00 55.36 52.09 2wdn s GLN 70 Cb -0.15 -1.75 -0.03 0.00 -1.64 0.00 0.00 33.01 29.44 2wdn s GLN 70 CO 0.08 0.46 -0.07 0.34 0.50 0.00 0.00 175.29 176.60 2wdn s ASP 71 N -1.04 4.64 -0.27 6.67 2.15 -1.26 0.46 116.67 128.03 2wdn s ASP 71 Ca 0.09 -0.05 0.08 0.00 0.43 0.00 0.00 52.55 53.11 2wdn s ASP 71 Cb -0.09 -1.26 0.45 0.00 -0.30 0.00 0.00 42.92 41.72 2wdn s ASP 71 CO 0.01 0.33 1.20 0.54 -0.17 0.00 0.00 175.17 177.08 2wdn n ARG 72 N 2.43 3.08 0.00 4.34 5.12 -0.49 -4.96 116.66 126.18 2wdn n ARG 72 Ca -0.18 -3.94 0.00 0.00 -1.93 0.00 0.00 57.85 51.80 2wdn n ARG 72 Cb 0.53 -2.10 0.00 0.00 -1.16 0.00 0.00 32.46 29.73 2wdn n ARG 72 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2wdn n GLY 73 N -0.81 1.19 2.76 -0.13 0.00 -1.26 -2.38 105.19 104.57 2wdn n GLY 73 Ca 0.37 -0.53 -0.13 0.00 0.00 0.00 0.00 46.02 45.74 2wdn n GLY 73 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wdn n ARG 74 N 3.41 1.23 0.00 1.61 1.74 -1.26 -1.33 116.66 122.05 2wdn n ARG 74 Ca 0.00 -1.05 0.00 0.00 -0.77 0.00 0.00 57.85 56.03 2wdn n ARG 74 Cb 0.00 -2.26 0.00 0.00 -1.02 0.00 0.00 32.46 29.18 2wdn n ARG 74 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 2wdn n LEU 75 N 4.50 0.00 0.00 0.55 0.00 -1.00 -5.16 117.00 115.89 2wdn n LEU 75 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.27 2wdn n LEU 75 Cb 0.08 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.50 2wdn n LEU 75 CO 0.61 0.14 0.00 0.61 0.00 0.00 0.00 177.39 178.75 2wdn n GLY 76 N 0.00 2.46 3.59 -3.96 0.00 -0.45 -4.90 105.19 101.94 2wdn n GLY 76 Ca 0.00 -1.96 -0.35 0.00 0.00 0.00 0.00 46.02 43.71 2wdn n GLY 76 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wdn s ARG 77 N -2.76 3.90 0.12 1.61 0.52 -1.26 -1.40 118.95 119.68 2wdn s ARG 77 Ca 0.00 -0.38 0.07 0.00 -0.52 0.00 0.00 55.73 54.91 2wdn s ARG 77 Cb 0.00 -3.24 -0.04 0.00 0.52 0.00 0.00 34.95 32.19 2wdn s ARG 77 CO 0.00 0.17 -0.09 0.71 0.02 0.00 0.00 175.30 176.10 2wdn s TYR 78 N 0.67 2.73 -0.15 -0.53 1.51 0.17 -0.61 117.35 121.15 2wdn s TYR 78 Ca 0.03 -0.16 0.02 0.00 -1.01 0.00 0.00 57.07 55.94 2wdn s TYR 78 Cb -0.13 -1.40 0.01 0.00 -0.11 0.00 0.00 41.96 40.32 2wdn s TYR 78 CO 0.02 0.45 -0.19 0.08 -1.11 0.00 0.00 175.55 174.79 2wdn s VAL 79 N -1.34 2.30 0.47 0.71 1.01 -1.06 0.14 120.40 122.63 2wdn s VAL 79 Ca 0.22 -0.90 0.04 0.00 0.00 0.00 0.00 61.98 61.35 2wdn s VAL 79 Cb -0.11 -1.94 -0.04 0.00 0.00 0.00 0.00 36.38 34.29 2wdn s VAL 79 CO 0.14 0.53 0.04 -1.00 0.00 0.00 0.00 175.10 174.82 2wdn s HIS 80 N 0.84 2.14 -0.35 5.22 3.76 0.82 -0.32 115.29 127.41 2wdn s HIS 80 Ca -0.06 -0.82 -0.00 0.00 -0.15 0.00 0.00 55.06 54.03 2wdn s HIS 80 Cb -0.15 -1.71 0.14 0.00 1.11 0.00 0.00 32.58 31.96 2wdn s HIS 80 CO -0.02 0.27 0.23 0.08 -0.85 0.00 0.00 174.74 174.45 2wdn s VAL 81 N -2.79 0.03 -0.34 -0.90 1.01 1.00 -1.65 120.40 116.75 2wdn s VAL 81 Ca 0.20 -1.48 -0.29 0.00 0.00 0.00 0.00 61.98 60.42 2wdn s VAL 81 Cb 0.05 -1.03 0.01 0.00 0.00 0.00 0.00 36.38 35.41 2wdn s VAL 81 CO 0.11 -0.90 1.19 0.00 0.00 0.00 0.00 175.10 175.50 2wdn s ARG 82 N 1.26 3.93 0.39 2.72 1.70 -0.77 -4.66 118.95 123.53 2wdn s ARG 82 Ca 0.17 1.05 -0.27 0.00 -0.47 0.00 0.00 55.73 56.21 2wdn s ARG 82 Cb -0.21 -3.84 -0.11 0.00 -0.57 0.00 0.00 34.95 30.23 2wdn s ARG 82 CO -0.04 -1.10 1.30 -0.35 -1.08 0.00 0.00 175.30 174.03 2wdn n PRO 83 N 7.26 2.08 -1.62 3.89 -0.04 -1.26 -2.15 135.00 143.18 2wdn n PRO 83 Ca 0.13 0.74 -0.46 0.00 -0.04 0.00 0.00 63.50 63.87 2wdn n PRO 83 Cb 0.47 -2.40 -0.02 0.00 -0.04 0.00 0.00 33.50 31.51 2wdn n PRO 83 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2wdn n LEU 84 N 0.43 2.19 0.00 1.53 4.32 -1.25 -4.89 117.00 119.32 2wdn n LEU 84 Ca 0.05 1.16 0.10 0.00 -0.02 0.00 0.00 56.01 57.30 2wdn n LEU 84 Cb 0.38 -1.32 0.57 0.00 -1.62 0.00 0.00 43.42 41.43 2wdn n LEU 84 CO 0.61 -1.07 0.76 0.00 -1.22 0.00 0.00 177.39 176.47