#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2aw4 n HIS 2 N 0.00 1.06 -2.19 0.00 -0.00 -1.26 -4.74 115.22 108.10 2aw4 n HIS 2 Ca 0.00 0.03 -0.17 0.00 -0.00 0.00 0.00 57.72 57.58 2aw4 n HIS 2 Cb 0.00 -2.37 0.04 0.00 -0.00 0.00 0.00 29.99 27.66 2aw4 n HIS 2 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 2aw4 n LYS 3 N 8.46 3.03 -3.76 1.57 4.01 -1.26 -5.00 118.16 125.22 2aw4 n LYS 3 Ca 0.48 -3.94 -0.37 0.00 -0.51 0.00 0.00 58.31 53.97 2aw4 n LYS 3 Cb 0.41 -2.06 -0.13 0.00 -0.51 0.00 0.00 35.03 32.74 2aw4 n LYS 3 CO 0.00 0.00 0.00 0.21 -1.11 0.00 0.00 177.40 176.50 2aw4 s LYS 4 N -3.57 3.51 0.00 1.97 2.36 -1.26 -4.87 119.74 117.88 2aw4 s LYS 4 Ca 0.45 -0.57 0.00 0.00 -2.55 0.00 0.00 55.97 53.29 2aw4 s LYS 4 Cb 0.39 -3.33 0.00 0.00 -1.05 0.00 0.00 37.83 33.83 2aw4 s LYS 4 CO 0.01 -0.25 0.39 0.00 1.55 0.00 0.00 175.35 177.05 2aw4 n ALA 5 N 4.91 1.29 -0.26 3.13 0.00 -1.26 -5.09 120.51 123.23 2aw4 n ALA 5 Ca -0.16 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.14 2aw4 n ALA 5 Cb 0.51 -0.10 0.00 0.00 0.00 0.00 0.00 19.45 19.85 2aw4 n ALA 5 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2aw4 n GLY 6 N 0.00 0.69 4.61 0.00 0.00 -1.26 -4.62 105.19 104.61 2aw4 n GLY 6 Ca -0.06 0.77 0.00 0.00 0.00 0.00 0.00 46.02 46.74 2aw4 n GLY 6 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2aw4 n GLY 7 N 0.00 0.92 2.50 -0.02 0.00 -1.26 -3.82 105.19 103.51 2aw4 n GLY 7 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 2aw4 n GLY 7 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2aw4 n SER 8 N 0.42 -5.18 -4.27 1.61 7.64 -1.26 -4.92 113.62 107.66 2aw4 n SER 8 Ca 0.00 0.39 -0.44 0.00 1.01 0.00 0.00 58.87 59.83 2aw4 n SER 8 Cb 0.00 -4.26 -0.03 0.00 -1.01 0.00 0.00 64.21 58.91 2aw4 n SER 8 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 2aw4 s THR 9 N -2.70 5.27 -0.35 0.44 -4.23 -1.25 -4.94 115.64 107.88 2aw4 s THR 9 Ca 0.00 -2.93 -0.02 0.00 -1.18 0.00 0.00 61.69 57.56 2aw4 s THR 9 Cb 0.00 -4.25 0.19 0.00 1.34 0.00 0.00 72.50 69.77 2aw4 s THR 9 CO 0.00 -1.05 0.85 0.00 -0.54 0.00 0.00 174.62 173.88 2aw4 s ARG 10 N -0.38 0.45 0.00 3.99 3.03 -1.26 -5.13 118.95 119.65 2aw4 s ARG 10 Ca 0.22 -0.08 0.00 0.00 2.03 0.00 0.00 55.73 57.90 2aw4 s ARG 10 Cb -0.11 0.07 0.00 0.00 -1.03 0.00 0.00 34.95 33.88 2aw4 s ARG 10 CO -0.08 -0.67 0.00 0.27 -1.13 0.00 0.00 175.30 173.68 2aw4 n ASN 11 N 4.23 0.00 0.00 -2.89 0.23 -1.26 -4.99 115.26 110.57 2aw4 n ASN 11 Ca 0.08 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.13 2aw4 n ASN 11 Cb 0.60 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.30 2aw4 n ASN 11 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2aw4 n GLY 12 N 0.00 2.43 3.82 4.83 0.00 -1.26 -4.82 105.19 110.19 2aw4 n GLY 12 Ca 0.00 -0.64 -0.25 0.00 0.00 0.00 0.00 46.02 45.13 2aw4 n GLY 12 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2aw4 n ARG 13 N 0.00 -4.87 -1.51 1.61 5.12 -1.26 -4.88 116.66 110.86 2aw4 n ARG 13 Ca 0.00 0.58 -0.38 0.00 -1.93 0.00 0.00 57.85 56.12 2aw4 n ARG 13 Cb 0.00 -5.20 0.05 0.00 -1.16 0.00 0.00 32.46 26.15 2aw4 n ARG 13 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 2aw4 n ASP 14 N -2.97 -0.21 -2.66 0.55 10.43 -1.26 -5.06 116.55 115.38 2aw4 n ASP 14 Ca -0.18 0.75 -0.12 0.00 2.57 0.00 0.00 54.79 57.81 2aw4 n ASP 14 Cb 0.63 -1.28 -0.02 0.00 1.84 0.00 0.00 41.12 42.28 2aw4 n ASP 14 CO 0.00 0.00 0.00 -1.54 -1.07 0.00 0.00 177.20 174.59 2aw4 n SER 15 N -0.25 -1.25 0.00 -2.24 3.41 -1.26 -5.03 113.62 107.00 2aw4 n SER 15 Ca 0.13 -2.57 0.00 0.00 -0.26 0.00 0.00 58.87 56.17 2aw4 n SER 15 Cb 0.48 2.28 0.00 0.00 -0.26 0.00 0.00 64.21 66.71 2aw4 n SER 15 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 2aw4 n GLU 16 N -0.48 0.00 -0.34 4.33 4.07 -1.26 -4.71 120.64 122.25 2aw4 n GLU 16 Ca -0.00 0.00 0.01 0.00 -0.06 0.00 0.00 57.16 57.11 2aw4 n GLU 16 Cb 0.50 -0.63 0.07 0.00 -0.06 0.00 0.00 31.44 31.31 2aw4 n GLU 16 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2aw4 n ALA 17 N 0.00 -0.01 0.00 4.31 0.00 -1.18 -4.57 120.51 119.06 2aw4 n ALA 17 Ca 0.00 0.94 0.00 0.00 0.00 0.00 0.00 53.44 54.38 2aw4 n ALA 17 Cb 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 19.45 18.98 2aw4 n ALA 17 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2aw4 n LYS 18 N -5.39 0.00 -0.60 0.00 4.01 -1.26 -3.50 118.16 111.42 2aw4 n LYS 18 Ca 0.11 0.00 -0.11 0.00 -0.51 0.00 0.00 58.31 57.80 2aw4 n LYS 18 Cb 0.40 0.00 0.07 0.00 -0.51 0.00 0.00 35.03 34.99 2aw4 n LYS 18 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 2aw4 n ARG 19 N 0.00 1.58 -1.28 1.97 5.12 -1.26 -4.32 116.66 118.48 2aw4 n ARG 19 Ca 0.00 -1.34 -0.36 0.00 -1.93 0.00 0.00 57.85 54.22 2aw4 n ARG 19 Cb 0.00 -1.52 0.07 0.00 -1.16 0.00 0.00 32.46 29.84 2aw4 n ARG 19 CO 0.00 0.00 0.00 1.47 -1.93 0.00 0.00 177.63 177.17 2aw4 n LEU 20 N -0.10 1.09 -0.14 0.55 -0.00 -1.26 -3.69 117.00 113.44 2aw4 n LEU 20 Ca 0.26 0.60 0.00 0.00 -0.00 0.00 0.00 56.01 56.88 2aw4 n LEU 20 Cb 0.93 -1.23 0.00 0.00 -0.00 0.00 0.00 43.42 43.12 2aw4 n LEU 20 CO 0.28 -3.00 0.00 0.61 -0.00 0.00 0.00 177.39 175.28 2aw4 n GLY 21 N 1.60 0.83 3.58 1.47 0.00 -1.26 0.55 105.19 111.95 2aw4 n GLY 21 Ca 0.10 -0.63 -0.36 0.00 0.00 0.00 0.00 46.02 45.14 2aw4 n GLY 21 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2aw4 n VAL 22 N -2.80 2.69 -1.29 1.61 0.31 -1.24 -4.42 118.33 113.19 2aw4 n VAL 22 Ca 0.00 -0.40 0.01 0.00 -0.01 0.00 0.00 64.34 63.94 2aw4 n VAL 22 Cb 0.39 -1.02 -0.00 0.00 -0.91 0.00 0.00 33.84 32.30 2aw4 n VAL 22 CO 0.00 0.00 0.00 2.29 -1.32 0.00 0.00 176.83 177.80 2aw4 n LYS 23 N -1.47 -0.10 -2.83 5.55 2.85 -1.26 -4.32 118.16 116.57 2aw4 n LYS 23 Ca 0.12 0.07 -0.43 0.00 -1.05 0.00 0.00 58.31 57.02 2aw4 n LYS 23 Cb 0.49 -0.13 -0.04 0.00 -0.65 0.00 0.00 35.03 34.71 2aw4 n LYS 23 CO 0.00 0.00 0.00 -0.98 -0.05 0.00 0.00 177.40 176.37 2aw4 s ARG 24 N -0.17 3.15 0.54 -1.58 1.70 -1.26 -5.01 118.95 116.32 2aw4 s ARG 24 Ca 0.00 -0.84 -0.09 0.00 -0.47 0.00 0.00 55.73 54.32 2aw4 s ARG 24 Cb 0.00 -4.29 0.13 0.00 -0.57 0.00 0.00 34.95 30.22 2aw4 s ARG 24 CO 0.00 -1.85 0.58 1.19 -1.08 0.00 0.00 175.30 174.14 2aw4 n PHE 25 N 7.81 -3.67 0.24 5.89 3.01 -1.24 -4.78 117.46 124.71 2aw4 n PHE 25 Ca -0.01 -0.52 0.08 0.00 1.01 0.00 0.00 57.45 58.02 2aw4 n PHE 25 Cb 0.46 -0.53 0.60 0.00 -0.01 0.00 0.00 39.48 40.01 2aw4 n PHE 25 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 2aw4 h GLY 26 N -1.26 0.00 0.00 1.37 0.00 -1.94 -3.35 103.07 97.90 2aw4 h GLY 26 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.13 2aw4 h GLY 26 CO 0.14 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.29 2aw4 n GLY 27 N -0.91 0.48 0.18 4.60 0.00 -1.26 -4.24 105.19 104.04 2aw4 n GLY 27 Ca -0.02 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.18 2aw4 n GLY 27 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2aw4 n GLU 28 N 0.00 -0.50 -0.09 1.61 4.07 -1.26 -4.49 120.64 119.98 2aw4 n GLU 28 Ca 0.00 0.38 0.00 0.00 -0.06 0.00 0.00 57.16 57.48 2aw4 n GLU 28 Cb 0.00 -0.45 0.00 0.00 -0.06 0.00 0.00 31.44 30.93 2aw4 n GLU 28 CO 0.00 0.00 0.00 0.43 -0.06 0.00 0.00 177.13 177.50 2aw4 n SER 29 N -1.26 3.06 -4.64 4.31 7.64 -1.26 -4.36 113.62 117.10 2aw4 n SER 29 Ca 0.00 -1.86 -0.29 0.00 1.01 0.00 0.00 58.87 57.73 2aw4 n SER 29 Cb 0.02 -0.55 0.18 0.00 -1.01 0.00 0.00 64.21 62.85 2aw4 n SER 29 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2aw4 s VAL 30 N 0.14 2.30 0.00 0.44 1.01 -1.26 -4.87 120.40 118.17 2aw4 s VAL 30 Ca 0.00 0.10 0.00 0.00 0.00 0.00 0.00 61.98 62.08 2aw4 s VAL 30 Cb 0.00 -2.42 0.00 0.00 0.00 0.00 0.00 36.38 33.96 2aw4 s VAL 30 CO 0.00 -0.13 0.52 -0.11 0.00 0.00 0.00 175.10 175.39 2aw4 n LEU 31 N -4.26 0.38 -2.35 3.92 -0.00 -1.26 -4.54 117.00 108.88 2aw4 n LEU 31 Ca 0.06 0.55 -0.01 0.00 -0.00 0.00 0.00 56.01 56.61 2aw4 n LEU 31 Cb 0.55 -0.13 -0.01 0.00 -0.00 0.00 0.00 43.42 43.83 2aw4 n LEU 31 CO 0.56 -0.13 -0.22 0.00 -0.00 0.00 0.00 177.39 177.60 2aw4 n ALA 32 N -0.90 -1.58 0.00 1.96 0.00 -1.26 -4.44 120.51 114.28 2aw4 n ALA 32 Ca 0.00 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.86 2aw4 n ALA 32 Cb 0.00 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.18 2aw4 n ALA 32 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2aw4 n GLY 33 N 2.02 1.64 3.73 0.00 0.00 0.19 -4.58 105.19 108.19 2aw4 n GLY 33 Ca -0.05 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.60 2aw4 n GLY 33 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2aw4 n SER 34 N 0.00 2.30 0.00 1.61 2.88 -1.26 -4.19 113.62 114.97 2aw4 n SER 34 Ca 0.00 0.88 0.00 0.00 -1.33 0.00 0.00 58.87 58.42 2aw4 n SER 34 Cb 0.00 -1.56 0.00 0.00 -0.75 0.00 0.00 64.21 61.90 2aw4 n SER 34 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2aw4 n ILE 35 N -1.59 0.00 1.27 2.46 0.13 -1.23 -4.19 119.36 116.21 2aw4 n ILE 35 Ca 0.14 0.00 0.11 0.00 -1.10 0.00 0.00 62.75 61.90 2aw4 n ILE 35 Cb 0.47 -0.01 0.62 0.00 -0.84 0.00 0.00 39.64 39.88 2aw4 n ILE 35 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 2aw4 n ILE 36 N -1.31 0.12 0.00 9.51 3.06 -1.26 -3.08 119.36 126.40 2aw4 n ILE 36 Ca 0.00 0.03 0.00 0.00 -2.50 0.00 0.00 62.75 60.28 2aw4 n ILE 36 Cb 0.00 -0.68 0.00 0.00 0.54 0.00 0.00 39.64 39.50 2aw4 n ILE 36 CO 0.00 0.00 0.00 0.52 -2.50 0.00 0.00 176.55 174.57 2aw4 n VAL 37 N -1.11 0.00 0.00 9.51 0.31 -1.26 -4.88 118.33 120.90 2aw4 n VAL 37 Ca 0.14 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.47 2aw4 n VAL 37 Cb 0.11 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.04 2aw4 n VAL 37 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 2aw4 n ARG 38 N 0.00 0.00 -1.35 5.55 3.00 -1.26 -4.93 116.66 117.67 2aw4 n ARG 38 Ca 0.00 0.49 0.13 0.00 -0.00 0.00 0.00 57.85 58.47 2aw4 n ARG 38 Cb 0.00 -0.83 -0.07 0.00 0.00 0.00 0.00 32.46 31.56 2aw4 n ARG 38 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.63 178.67 2aw4 n GLN 39 N -1.59 -3.22 0.00 -0.14 6.02 -1.26 -4.97 117.38 112.22 2aw4 n GLN 39 Ca 0.00 2.61 0.00 0.00 -0.01 0.00 0.00 57.00 59.60 2aw4 n GLN 39 Cb 0.00 -3.63 0.00 0.00 1.02 0.00 0.00 30.24 27.63 2aw4 n GLN 39 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2aw4 n ARG 40 N -3.87 0.00 -0.40 -1.09 1.74 -1.25 -4.93 116.66 106.86 2aw4 n ARG 40 Ca -0.07 0.00 -0.29 0.00 -0.77 0.00 0.00 57.85 56.72 2aw4 n ARG 40 Cb 0.60 0.00 0.27 0.00 -1.02 0.00 0.00 32.46 32.31 2aw4 n ARG 40 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2aw4 n GLY 41 N 0.00 -2.66 0.10 -0.13 0.00 -1.26 -4.24 105.19 97.00 2aw4 n GLY 41 Ca 0.00 -1.33 0.00 0.00 0.00 0.00 0.00 46.02 44.69 2aw4 n GLY 41 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2aw4 n THR 42 N -5.26 0.00 -4.81 2.61 -1.04 -1.26 -4.41 114.28 100.10 2aw4 n THR 42 Ca 0.05 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.06 2aw4 n THR 42 Cb 0.56 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.07 2aw4 n THR 42 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 2aw4 n LYS 43 N -3.01 0.00 -1.53 -2.82 4.01 -1.26 -2.69 118.16 110.86 2aw4 n LYS 43 Ca 0.00 0.00 -0.19 0.00 -0.51 0.00 0.00 58.31 57.61 2aw4 n LYS 43 Cb 0.00 0.00 -0.16 0.00 -0.51 0.00 0.00 35.03 34.36 2aw4 n LYS 43 CO 0.00 0.00 0.00 0.34 -1.11 0.00 0.00 177.40 176.63 2aw4 n PHE 44 N -1.61 0.53 -1.38 2.13 -0.00 -1.26 -2.71 117.46 113.16 2aw4 n PHE 44 Ca 0.00 0.00 -0.38 0.00 -0.00 0.00 0.00 57.45 57.07 2aw4 n PHE 44 Cb 0.00 -1.48 0.03 0.00 -0.00 0.00 0.00 39.48 38.03 2aw4 n PHE 44 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.76 174.37 2aw4 n HIS 45 N 11.40 -1.45 -0.69 -5.13 -0.00 -1.26 0.26 115.22 118.35 2aw4 n HIS 45 Ca 0.59 0.43 0.00 0.00 -0.00 0.00 0.00 57.72 58.74 2aw4 n HIS 45 Cb 0.27 -1.86 0.00 0.00 -0.00 0.00 0.00 29.99 28.40 2aw4 n HIS 45 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2aw4 n ALA 46 N -1.70 0.76 -2.42 1.59 0.00 -1.26 -4.37 120.51 113.09 2aw4 n ALA 46 Ca 0.10 -0.15 -0.02 0.00 0.00 0.00 0.00 53.44 53.38 2aw4 n ALA 46 Cb 0.48 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.91 2aw4 n ALA 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2aw4 n GLY 47 N 0.00 -5.27 3.42 0.00 0.00 -1.26 -3.36 105.19 98.73 2aw4 n GLY 47 Ca 0.00 0.54 -0.21 0.00 0.00 0.00 0.00 46.02 46.35 2aw4 n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2aw4 s ALA 48 N -0.57 2.27 0.00 4.61 0.00 -1.26 0.11 121.76 126.92 2aw4 s ALA 48 Ca -0.08 -1.87 0.00 0.00 0.00 0.00 0.00 51.96 50.02 2aw4 s ALA 48 Cb 0.01 0.80 0.00 0.00 0.00 0.00 0.00 23.12 23.92 2aw4 s ALA 48 CO 0.21 -0.36 0.00 0.09 0.00 0.00 0.00 175.76 175.70 2aw4 n ASN 49 N -0.73 0.00 0.00 0.00 3.02 -1.26 -0.56 115.26 115.73 2aw4 n ASN 49 Ca -0.02 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.53 2aw4 n ASN 49 Cb 0.66 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.83 2aw4 n ASN 49 CO 0.00 0.00 0.00 0.55 -2.62 0.00 0.00 177.26 175.19 2aw4 n VAL 50 N 0.00 0.00 0.00 2.41 3.14 -1.26 -4.91 118.33 117.71 2aw4 n VAL 50 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 2aw4 n VAL 50 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.78 2aw4 n VAL 50 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2aw4 n GLY 51 N -0.71 0.28 0.00 7.55 0.00 -1.26 -2.89 105.19 108.16 2aw4 n GLY 51 Ca 0.00 0.67 0.00 0.00 0.00 0.00 0.00 46.02 46.69 2aw4 n GLY 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2aw4 n GLY 53 N 2.48 0.57 2.85 0.00 0.00 -1.14 -4.92 105.19 105.03 2aw4 n GLY 53 Ca 0.00 -0.81 -0.01 0.00 0.00 0.00 0.00 46.02 45.19 2aw4 n GLY 53 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2aw4 n ARG 54 N -0.18 -1.35 -0.53 1.61 1.74 -1.25 -4.85 116.66 111.85 2aw4 n ARG 54 Ca 0.00 1.49 -0.30 0.00 -0.77 0.00 0.00 57.85 58.27 2aw4 n ARG 54 Cb 0.00 -5.29 0.27 0.00 -1.02 0.00 0.00 32.46 26.43 2aw4 n ARG 54 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 2aw4 s ASP 55 N -2.81 -0.39 -0.41 0.55 2.15 0.30 -4.85 116.67 111.21 2aw4 s ASP 55 Ca 0.04 0.93 0.04 0.00 0.43 0.00 0.00 52.55 53.99 2aw4 s ASP 55 Cb -0.01 -1.34 0.17 0.00 -0.30 0.00 0.00 42.92 41.43 2aw4 s ASP 55 CO 0.67 -4.96 0.36 -2.28 -0.17 0.00 0.00 175.17 168.79 2aw4 s HIS 56 N -2.43 0.86 0.00 -5.34 5.65 -1.21 -4.09 115.29 108.73 2aw4 s HIS 56 Ca 0.69 -2.15 0.00 0.00 0.25 0.00 0.00 55.06 53.85 2aw4 s HIS 56 Cb -0.15 -0.82 0.00 0.00 -1.18 0.00 0.00 32.58 30.43 2aw4 s HIS 56 CO 0.59 -0.86 0.89 2.41 -0.65 0.00 0.00 174.74 177.12 2aw4 n THR 57 N 2.94 0.00 0.00 0.89 -1.04 -1.25 -4.78 114.28 111.04 2aw4 n THR 57 Ca 0.28 1.39 0.00 0.00 -2.04 0.00 0.00 64.05 63.68 2aw4 n THR 57 Cb 0.48 -2.00 0.00 0.00 -1.82 0.00 0.00 70.33 66.98 2aw4 n THR 57 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 2aw4 n LEU 58 N -2.36 0.00 -4.10 -4.42 7.94 -1.26 -4.30 117.00 108.50 2aw4 n LEU 58 Ca 0.00 0.00 -0.28 0.00 -1.11 0.00 0.00 56.01 54.62 2aw4 n LEU 58 Cb 0.00 0.00 -0.17 0.00 0.53 0.00 0.00 43.42 43.78 2aw4 n LEU 58 CO 0.00 0.00 -0.51 -0.36 -1.11 0.00 0.00 177.39 175.41 2aw4 s PHE 59 N 0.00 1.96 0.09 1.96 0.40 -1.26 -4.08 117.98 117.06 2aw4 s PHE 59 Ca 0.00 -0.81 -0.15 0.00 -0.60 0.00 0.00 56.93 55.37 2aw4 s PHE 59 Cb 0.00 -1.38 0.05 0.00 0.51 0.00 0.00 43.02 42.20 2aw4 s PHE 59 CO 0.00 -0.38 0.70 0.00 0.70 0.00 0.00 175.22 176.24 2aw4 n ALA 60 N 3.81 -1.86 -0.40 5.36 0.00 -1.26 -3.73 120.51 122.44 2aw4 n ALA 60 Ca -0.21 -0.63 0.00 0.00 0.00 0.00 0.00 53.44 52.61 2aw4 n ALA 60 Cb 0.52 0.31 0.00 0.00 0.00 0.00 0.00 19.45 20.28 2aw4 n ALA 60 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2aw4 n LYS 61 N -0.49 0.00 0.00 0.00 3.00 -1.26 -4.47 118.16 114.94 2aw4 n LYS 61 Ca -0.00 0.17 0.00 0.00 -0.00 0.00 0.00 58.31 58.47 2aw4 n LYS 61 Cb 0.37 -0.58 0.00 0.00 0.00 0.00 0.00 35.03 34.82 2aw4 n LYS 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2aw4 n ALA 62 N -1.72 0.28 -2.66 3.14 0.00 -1.26 -4.93 120.51 113.37 2aw4 n ALA 62 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.40 2aw4 n ALA 62 Cb 0.00 0.00 0.06 0.00 0.00 0.00 0.00 19.45 19.51 2aw4 n ALA 62 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2aw4 n ASP 63 N 0.00 -1.15 0.08 0.00 2.03 -1.26 -4.57 116.55 111.68 2aw4 n ASP 63 Ca 0.00 -1.07 -0.13 0.00 0.52 0.00 0.00 54.79 54.11 2aw4 n ASP 63 Cb 0.31 0.58 -0.06 0.00 -0.72 0.00 0.00 41.12 41.23 2aw4 n ASP 63 CO 0.00 0.00 0.00 1.23 -1.92 0.00 0.00 177.20 176.51 2aw4 h GLY 64 N 3.64 -0.71 -4.32 0.27 0.00 -1.81 -3.41 103.07 96.74 2aw4 h GLY 64 Ca -0.11 0.46 0.00 0.00 0.00 0.00 0.00 47.33 47.68 2aw4 h GLY 64 CO -0.18 -0.25 -0.89 1.17 0.00 0.00 0.00 176.54 176.39 2aw4 n LYS 65 N -5.44 -5.18 0.00 4.80 0.00 -1.10 -4.36 118.16 106.87 2aw4 n LYS 65 Ca -0.06 3.66 0.00 0.00 0.00 0.00 0.00 58.31 61.91 2aw4 n LYS 65 Cb 0.36 -4.01 0.00 0.00 0.00 0.00 0.00 35.03 31.38 2aw4 n LYS 65 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.40 178.95 2aw4 n VAL 66 N 1.84 0.00 0.00 3.15 3.14 -1.26 -4.44 118.33 120.76 2aw4 n VAL 66 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 2aw4 n VAL 66 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.78 2aw4 n VAL 66 CO 0.00 0.00 0.00 0.29 -6.46 0.00 0.00 176.83 170.66 2aw4 n LYS 67 N 0.00 0.00 0.00 1.45 5.02 -1.26 -3.82 118.16 119.55 2aw4 n LYS 67 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 2aw4 n LYS 67 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 2aw4 n LYS 67 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2aw4 n PHE 68 N 0.00 0.00 -0.17 2.13 7.35 -1.26 -4.38 117.46 121.12 2aw4 n PHE 68 Ca 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 2aw4 n PHE 68 Cb 0.00 0.00 0.00 0.00 0.35 0.00 0.00 39.48 39.83 2aw4 n PHE 68 CO 0.00 0.00 0.00 -1.91 -0.76 0.00 0.00 176.76 174.09 2aw4 n GLU 69 N 0.00 1.50 0.18 -4.13 0.00 -1.26 -4.50 120.64 112.43 2aw4 n GLU 69 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 57.16 57.22 2aw4 n GLU 69 Cb 0.00 -0.13 0.24 0.00 0.00 0.00 0.00 31.44 31.56 2aw4 n GLU 69 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.13 177.41 2aw4 h VAL 70 N 0.00 0.78 -3.16 6.31 2.07 -2.00 -3.42 116.25 116.83 2aw4 h VAL 70 Ca 0.00 -1.69 -0.58 0.00 0.82 0.00 0.00 66.70 65.25 2aw4 h VAL 70 Cb 0.00 2.08 -0.36 0.00 -1.52 0.00 0.00 31.29 31.49 2aw4 h VAL 70 CO 0.00 0.37 -0.83 -0.75 0.02 0.00 0.00 177.57 176.39 2aw4 s LYS 71 N -3.36 2.08 0.00 1.57 2.20 -1.26 -4.97 119.74 116.00 2aw4 s LYS 71 Ca 0.02 -0.48 0.00 0.00 -0.36 0.00 0.00 55.97 55.15 2aw4 s LYS 71 Cb 0.09 -1.93 0.00 0.00 -1.51 0.00 0.00 37.83 34.48 2aw4 s LYS 71 CO 0.70 -0.22 0.00 0.41 -0.36 0.00 0.00 175.35 175.88 2aw4 n GLY 72 N 4.73 0.00 2.71 5.54 0.00 0.28 -4.60 105.19 113.85 2aw4 n GLY 72 Ca -0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.44 2aw4 n GLY 72 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2aw4 n PRO 73 N -0.04 0.00 0.00 1.61 -0.02 -1.26 -4.24 135.00 131.05 2aw4 n PRO 73 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 2aw4 n PRO 73 Cb 0.00 -0.95 0.00 0.00 -0.02 0.00 0.00 33.50 32.53 2aw4 n PRO 73 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2aw4 n LYS 74 N 0.95 0.00 -0.07 -0.52 4.76 -1.26 -4.90 118.16 117.11 2aw4 n LYS 74 Ca 0.15 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.59 2aw4 n LYS 74 Cb 0.14 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.33 2aw4 n LYS 74 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 2aw4 n ASN 75 N -1.85 0.00 0.00 4.39 5.03 -1.10 -4.68 115.26 117.05 2aw4 n ASN 75 Ca 0.00 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.45 2aw4 n ASN 75 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 38.76 2aw4 n ASN 75 CO 0.00 0.00 0.00 -1.14 -1.83 0.00 0.00 177.26 174.29 2aw4 n ARG 76 N 0.00 0.00 0.00 3.52 0.63 0.14 -4.65 116.66 116.30 2aw4 n ARG 76 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 2aw4 n ARG 76 Cb 0.00 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.91 2aw4 n ARG 76 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 2aw4 n LYS 77 N -1.33 0.00 0.00 -0.14 3.00 -1.26 -4.96 118.16 113.47 2aw4 n LYS 77 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 2aw4 n LYS 77 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 2aw4 n LYS 77 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 2aw4 n PHE 78 N -0.35 0.00 -2.92 5.64 7.35 -1.26 -4.98 117.46 120.94 2aw4 n PHE 78 Ca 0.00 0.00 -0.40 0.00 -0.76 0.00 0.00 57.45 56.29 2aw4 n PHE 78 Cb 0.00 0.00 -0.04 0.00 0.35 0.00 0.00 39.48 39.79 2aw4 n PHE 78 CO 0.00 0.00 0.00 0.42 -0.76 0.00 0.00 176.76 176.42 2aw4 s ILE 79 N 0.00 4.81 0.00 -2.13 1.01 -1.26 -1.30 121.20 122.33 2aw4 s ILE 79 Ca 0.00 1.71 0.00 0.00 0.00 0.00 0.00 60.65 62.36 2aw4 s ILE 79 Cb 0.00 -4.16 0.00 0.00 0.01 0.00 0.00 42.46 38.31 2aw4 s ILE 79 CO 0.00 0.29 0.00 -1.20 0.00 0.00 0.00 174.94 174.03 2aw4 n SER 80 N 3.25 0.00 0.12 3.58 7.64 -1.26 -4.82 113.62 122.12 2aw4 n SER 80 Ca -0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2aw4 n SER 80 Cb 0.51 0.04 0.00 0.00 -1.01 0.00 0.00 64.21 63.75 2aw4 n SER 80 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2aw4 n ILE 81 N -2.43 0.00 -0.11 0.44 0.13 -1.26 -4.09 119.36 112.04 2aw4 n ILE 81 Ca 0.00 0.00 -0.19 0.00 -1.10 0.00 0.00 62.75 61.46 2aw4 n ILE 81 Cb 0.00 0.00 -0.09 0.00 -0.84 0.00 0.00 39.64 38.71 2aw4 n ILE 81 CO 0.00 0.00 0.00 -0.62 2.80 0.00 0.00 176.55 178.73 2aw4 n GLU 82 N -3.01 0.51 -3.73 9.51 -0.58 -1.26 -5.09 120.64 116.99 2aw4 n GLU 82 Ca 0.00 0.16 0.01 0.00 -0.42 0.00 0.00 57.16 56.91 2aw4 n GLU 82 Cb 0.00 -1.38 -0.00 0.00 -0.57 0.00 0.00 31.44 29.49 2aw4 n GLU 82 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2aw4 s ALA 83 N -2.42 -2.12 0.00 0.62 0.00 -1.26 -5.06 121.76 111.50 2aw4 s ALA 83 Ca -0.30 0.40 0.00 0.00 0.00 0.00 0.00 51.96 52.05 2aw4 s ALA 83 Cb 0.10 0.53 0.00 0.00 0.00 0.00 0.00 23.12 23.75 2aw4 s ALA 83 CO 0.45 -1.07 0.00 -1.91 0.00 0.00 0.00 175.76 173.23