#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3df3 n ARG 2 N 0.00 -1.06 -3.42 0.54 3.00 -1.26 -4.99 116.66 109.47 3df3 n ARG 2 Ca 0.00 1.21 -0.41 0.00 -0.01 0.00 0.00 57.85 58.64 3df3 n ARG 2 Cb 0.00 -2.91 -0.09 0.00 0.00 0.00 0.00 32.46 29.46 3df3 n ARG 2 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.63 176.51 3df3 s SER 3 N -1.22 6.16 -0.11 0.55 0.01 -1.26 -4.85 113.70 112.98 3df3 s SER 3 Ca 0.06 -0.38 0.18 0.00 1.31 0.00 0.00 55.95 57.11 3df3 s SER 3 Cb -0.02 -2.19 0.35 0.00 0.21 0.00 0.00 66.02 64.37 3df3 s SER 3 CO 0.29 -0.36 1.17 -0.11 0.41 0.00 0.00 173.24 174.63 3df3 n LEU 4 N 5.35 0.34 0.00 2.44 0.00 -1.26 -5.09 117.00 118.78 3df3 n LEU 4 Ca -0.10 -2.40 0.00 0.00 0.00 0.00 0.00 56.01 53.51 3df3 n LEU 4 Cb 0.49 0.13 0.00 0.00 0.00 0.00 0.00 43.42 44.03 3df3 n LEU 4 CO 0.41 1.02 0.00 0.29 0.00 0.00 0.00 177.39 179.10 3df3 n LYS 5 N -0.15 0.00 0.00 1.96 5.02 -1.26 -1.75 118.16 121.98 3df3 n LYS 5 Ca -0.05 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.24 3df3 n LYS 5 Cb 0.93 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.94 3df3 n LYS 5 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3df3 n LYS 6 N 0.00 -0.05 -3.51 1.97 4.76 -1.26 -5.01 118.16 115.05 3df3 n LYS 6 Ca 0.00 -0.18 -0.42 0.00 -2.87 0.00 0.00 58.31 54.84 3df3 n LYS 6 Cb 0.00 -0.58 -0.06 0.00 -1.84 0.00 0.00 35.03 32.54 3df3 n LYS 6 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 3df3 s GLY 7 N -0.03 2.43 -0.08 0.72 0.00 -0.72 -5.05 107.32 104.60 3df3 s GLY 7 Ca 0.00 -3.07 -0.33 0.00 0.00 0.00 0.00 44.72 41.32 3df3 s GLY 7 CO 0.00 1.17 1.93 -1.05 0.00 0.00 0.00 173.10 175.15 3df3 n PRO 8 N 4.11 2.29 -4.19 2.90 -0.02 -1.26 -4.95 135.00 133.87 3df3 n PRO 8 Ca 0.05 0.83 -0.27 0.00 -2.02 0.00 0.00 63.50 62.08 3df3 n PRO 8 Cb 0.42 -2.75 -0.08 0.00 -0.02 0.00 0.00 33.50 31.07 3df3 n PRO 8 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 3df3 s PHE 9 N 4.51 2.88 0.32 6.00 2.19 -1.26 -5.13 117.98 127.49 3df3 s PHE 9 Ca 0.93 -0.11 -0.09 0.00 0.33 0.00 0.00 56.93 57.99 3df3 s PHE 9 Cb -0.62 -1.42 0.01 0.00 -1.31 0.00 0.00 43.02 39.68 3df3 s PHE 9 CO 0.49 0.50 0.55 0.96 1.83 0.00 0.00 175.22 179.55 3df3 s ILE 10 N -1.62 0.00 0.25 3.12 -4.36 -1.26 -3.61 121.20 113.72 3df3 s ILE 10 Ca 0.27 -1.40 -0.09 0.00 -0.26 0.00 0.00 60.65 59.17 3df3 s ILE 10 Cb -0.10 -2.54 -0.07 0.00 1.25 0.00 0.00 42.46 41.00 3df3 s ILE 10 CO 0.18 0.00 0.58 -1.81 0.24 0.00 0.00 174.94 174.13 3df3 s ASP 11 N -3.13 6.61 0.07 4.36 -0.00 -1.26 -4.99 116.67 118.33 3df3 s ASP 11 Ca 0.24 0.93 -0.16 0.00 -0.00 0.00 0.00 52.55 53.56 3df3 s ASP 11 Cb -0.02 -2.23 -0.05 0.00 -0.00 0.00 0.00 42.92 40.62 3df3 s ASP 11 CO 0.15 -0.12 1.27 0.25 -0.00 0.00 0.00 175.17 176.72 3df3 h LEU 12 N 2.34 -0.96 -0.04 1.23 5.85 -2.00 -2.91 115.31 118.82 3df3 h LEU 12 Ca -0.47 0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.38 3df3 h LEU 12 Cb 1.17 0.40 -0.00 0.00 0.37 0.00 0.00 40.66 42.60 3df3 h LEU 12 CO 0.68 -0.18 -0.02 1.41 -0.34 0.00 0.00 178.44 179.99 3df3 n HIS 13 N -4.05 -0.02 -0.28 1.25 -0.00 -1.26 -0.34 115.22 110.53 3df3 n HIS 13 Ca -0.01 0.05 0.10 0.00 -0.00 0.00 0.00 57.72 57.85 3df3 n HIS 13 Cb 0.16 -0.36 0.25 0.00 -0.00 0.00 0.00 29.99 30.04 3df3 n HIS 13 CO 0.00 0.00 0.00 1.37 -0.00 0.00 0.00 176.34 177.71 3df3 h LEU 14 N 0.00 0.16 -1.86 2.41 8.10 -1.94 0.58 115.31 122.75 3df3 h LEU 14 Ca 0.01 0.16 0.06 0.00 0.11 0.00 0.00 57.88 58.21 3df3 h LEU 14 Cb 0.02 0.18 -0.01 0.00 -0.44 0.00 0.00 40.66 40.40 3df3 h LEU 14 CO -0.03 -0.03 0.44 -0.07 -4.11 0.00 0.00 178.44 174.63 3df3 h LEU 15 N 0.33 0.00 0.00 0.17 3.38 -0.48 0.67 115.31 119.38 3df3 h LEU 15 Ca 0.50 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.47 3df3 h LEU 15 Cb 0.91 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.66 3df3 h LEU 15 CO -0.54 0.00 -1.38 0.29 0.09 0.00 0.00 178.44 176.90 3df3 n LYS 16 N -3.21 0.43 -0.11 1.13 4.76 0.16 -4.48 118.16 116.84 3df3 n LYS 16 Ca 0.03 -0.08 -0.20 0.00 -2.87 0.00 0.00 58.31 55.19 3df3 n LYS 16 Cb 0.54 -1.21 -0.08 0.00 -1.84 0.00 0.00 35.03 32.44 3df3 n LYS 16 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 3df3 n LYS 17 N -1.80 0.55 0.25 1.97 4.76 0.99 -3.30 118.16 121.59 3df3 n LYS 17 Ca -0.02 0.37 0.07 0.00 -2.87 0.00 0.00 58.31 55.87 3df3 n LYS 17 Cb 0.24 -1.58 0.60 0.00 -1.84 0.00 0.00 35.03 32.45 3df3 n LYS 17 CO 0.00 0.00 0.00 -0.24 -1.37 0.00 0.00 177.40 175.79 3df3 h VAL 18 N -1.00 1.03 0.00 -0.18 3.04 0.00 0.16 116.25 119.30 3df3 h VAL 18 Ca -0.36 -0.18 -0.07 0.00 -1.01 0.00 0.00 66.70 65.07 3df3 h VAL 18 Cb 1.25 1.10 -0.01 0.00 -2.01 0.00 0.00 31.29 31.61 3df3 h VAL 18 CO -0.22 0.05 -0.66 -0.33 -1.01 0.00 0.00 177.57 175.40 3df3 h GLU 19 N 0.00 0.00 0.08 4.17 3.07 -1.77 -3.32 114.58 116.81 3df3 h GLU 19 Ca -0.00 0.00 -0.14 0.00 -0.50 0.00 0.00 59.36 58.72 3df3 h GLU 19 Cb 0.10 0.00 0.02 0.00 -0.84 0.00 0.00 28.75 28.02 3df3 h GLU 19 CO 0.01 0.22 -0.59 -0.22 -1.40 0.00 0.00 179.01 177.03 3df3 h LYS 20 N 0.00 0.25 -0.36 2.33 3.11 -1.12 -3.20 116.57 117.57 3df3 h LYS 20 Ca -0.03 -0.38 0.11 0.00 -2.81 0.00 0.00 60.65 57.53 3df3 h LYS 20 Cb 1.24 0.13 -0.01 0.00 -1.00 0.00 0.00 32.23 32.59 3df3 h LYS 20 CO 0.03 1.15 0.45 0.00 -2.81 0.00 0.00 179.45 178.27 3df3 h ALA 21 N 0.12 2.03 -0.54 5.00 0.00 -0.89 -0.79 119.26 124.19 3df3 h ALA 21 Ca -0.10 -0.01 0.10 0.00 0.00 0.00 0.00 54.91 54.90 3df3 h ALA 21 Cb 1.42 0.03 -0.08 0.00 0.00 0.00 0.00 17.79 19.16 3df3 h ALA 21 CO 0.11 -0.63 0.11 0.28 0.00 0.00 0.00 179.25 179.12 3df3 h VAL 22 N 0.00 0.69 0.19 0.00 2.07 -1.65 0.43 116.25 117.99 3df3 h VAL 22 Ca 0.17 -0.09 -0.27 0.00 0.82 0.00 0.00 66.70 67.34 3df3 h VAL 22 Cb 1.06 0.42 0.03 0.00 -1.52 0.00 0.00 31.29 31.28 3df3 h VAL 22 CO -0.00 0.05 -1.19 1.05 0.02 0.00 0.00 177.57 177.50 3df3 h GLU 23 N 0.25 0.41 0.00 1.57 -0.00 -1.33 -3.27 114.58 112.21 3df3 h GLU 23 Ca 0.28 -0.70 -0.02 0.00 -0.00 0.00 0.00 59.36 58.92 3df3 h GLU 23 Cb 0.38 0.26 -0.00 0.00 -0.00 0.00 0.00 28.75 29.39 3df3 h GLU 23 CO -0.36 1.34 -0.07 0.66 -0.00 0.00 0.00 179.01 180.58 3df3 h SER 24 N -0.12 0.00 -4.48 3.06 4.64 -1.28 -3.48 113.55 111.89 3df3 h SER 24 Ca -0.21 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.11 3df3 h SER 24 Cb 1.91 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.00 3df3 h SER 24 CO 0.20 0.07 0.00 0.61 -0.87 0.00 0.00 176.83 176.85 3df3 n GLY 25 N -1.06 -0.37 3.72 -0.77 0.00 0.15 -4.92 105.19 101.95 3df3 n GLY 25 Ca -0.02 -1.74 -0.42 0.00 0.00 0.00 0.00 46.02 43.83 3df3 n GLY 25 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3df3 n ASP 26 N -1.29 3.35 0.00 1.61 9.92 -1.26 -4.81 116.55 124.06 3df3 n ASP 26 Ca 0.00 1.17 0.00 0.00 -0.53 0.00 0.00 54.79 55.43 3df3 n ASP 26 Cb 0.00 -1.54 0.00 0.00 -0.64 0.00 0.00 41.12 38.94 3df3 n ASP 26 CO 0.00 0.00 0.00 2.29 0.13 0.00 0.00 177.20 179.62 3df3 n LYS 27 N 1.45 0.00 -1.08 -1.24 2.85 -1.26 -5.15 118.16 113.73 3df3 n LYS 27 Ca 0.07 0.00 -0.32 0.00 -1.05 0.00 0.00 58.31 57.01 3df3 n LYS 27 Cb 0.36 0.00 0.13 0.00 -0.65 0.00 0.00 35.03 34.86 3df3 n LYS 27 CO 0.00 0.00 0.00 -1.59 -0.05 0.00 0.00 177.40 175.76 3df3 s LYS 28 N 4.65 1.65 1.41 -1.58 0.00 -1.26 -4.67 119.74 119.94 3df3 s LYS 28 Ca 0.00 1.58 -0.23 0.00 0.00 0.00 0.00 55.97 57.32 3df3 s LYS 28 Cb 0.00 -1.80 0.36 0.00 0.00 0.00 0.00 37.83 36.40 3df3 s LYS 28 CO 0.00 -2.17 0.95 -1.25 0.00 0.00 0.00 175.35 172.89 3df3 s PRO 29 N -4.38 -2.85 -0.56 1.78 0.04 -1.26 -4.73 135.00 123.05 3df3 s PRO 29 Ca 0.69 0.06 -0.05 0.00 0.04 0.00 0.00 61.00 61.75 3df3 s PRO 29 Cb -0.25 -1.39 0.15 0.00 0.04 0.00 0.00 34.50 33.05 3df3 s PRO 29 CO 0.52 -4.81 0.39 -0.51 0.04 0.00 0.00 177.00 172.64 3df3 s LEU 30 N -7.77 5.45 -0.63 -3.56 1.43 -0.53 -4.71 118.68 108.36 3df3 s LEU 30 Ca 0.69 -2.47 -0.26 0.00 -1.03 0.00 0.00 54.13 51.06 3df3 s LEU 30 Cb -0.12 -1.90 -0.03 0.00 0.03 0.00 0.00 46.19 44.16 3df3 s LEU 30 CO 0.57 -0.49 1.96 -0.60 0.23 0.00 0.00 176.35 178.03 3df3 s ARG 31 N 0.51 2.52 0.17 1.70 6.06 -1.26 -0.13 118.95 128.52 3df3 s ARG 31 Ca 0.13 0.64 -0.16 0.00 -2.50 0.00 0.00 55.73 53.84 3df3 s ARG 31 Cb -0.21 -4.49 0.02 0.00 0.06 0.00 0.00 34.95 30.33 3df3 s ARG 31 CO -0.04 -2.91 0.46 0.95 -2.50 0.00 0.00 175.30 171.26 3df3 s THR 32 N 9.77 0.04 -1.31 4.11 -4.23 -0.67 -4.98 115.64 118.36 3df3 s THR 32 Ca 0.72 -0.81 0.17 0.00 -1.18 0.00 0.00 61.69 60.60 3df3 s THR 32 Cb -0.13 -1.51 0.53 0.00 1.34 0.00 0.00 72.50 72.74 3df3 s THR 32 CO 0.19 -0.19 1.45 0.79 -0.54 0.00 0.00 174.62 176.32 3df3 n TRP 33 N -0.30 0.89 0.01 3.99 8.01 -1.26 -2.09 117.44 126.70 3df3 n TRP 33 Ca -0.11 -0.55 0.00 0.00 -1.31 0.00 0.00 57.50 55.53 3df3 n TRP 33 Cb 0.63 -0.08 0.00 0.00 -2.01 0.00 0.00 31.31 29.85 3df3 n TRP 33 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.69 175.55 3df3 n SER 34 N 1.00 2.83 -0.10 -0.99 3.41 -1.26 -4.07 113.62 114.43 3df3 n SER 34 Ca 0.20 -1.66 -0.10 0.00 -0.26 0.00 0.00 58.87 57.05 3df3 n SER 34 Cb 0.62 -0.57 0.03 0.00 -0.26 0.00 0.00 64.21 64.04 3df3 n SER 34 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 175.04 174.96 3df3 h ARG 35 N 1.66 0.86 0.00 4.33 0.11 -1.86 -2.39 114.38 117.08 3df3 h ARG 35 Ca 0.00 -0.40 0.00 0.00 0.10 0.00 0.00 59.98 59.68 3df3 h ARG 35 Cb 0.62 -0.01 0.00 0.00 1.11 0.00 0.00 29.97 31.69 3df3 h ARG 35 CO 0.00 1.04 0.00 0.00 0.10 0.00 0.00 179.97 181.11 3df3 h ARG 36 N 0.72 0.00 0.00 0.08 3.08 -1.94 0.66 114.38 116.98 3df3 h ARG 36 Ca 0.08 0.00 -0.28 0.00 0.07 0.00 0.00 59.98 59.85 3df3 h ARG 36 Cb 0.85 0.00 0.13 0.00 0.08 0.00 0.00 29.97 31.03 3df3 h ARG 36 CO 0.08 0.00 0.14 0.43 -1.07 0.00 0.00 179.97 179.54 3df3 n SER 37 N -2.42 -1.23 -4.53 7.04 7.64 -0.90 -4.83 113.62 114.38 3df3 n SER 37 Ca -0.01 -1.06 -0.28 0.00 1.01 0.00 0.00 58.87 58.52 3df3 n SER 37 Cb 0.06 -0.69 -0.10 0.00 -1.01 0.00 0.00 64.21 62.47 3df3 n SER 37 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 3df3 s THR 38 N -2.54 3.03 0.54 0.44 2.01 -1.24 -1.20 115.64 116.69 3df3 s THR 38 Ca 0.49 -1.59 -0.18 0.00 0.31 0.00 0.00 61.69 60.73 3df3 s THR 38 Cb -0.04 -2.45 -0.06 0.00 0.01 0.00 0.00 72.50 69.96 3df3 s THR 38 CO 0.37 -0.01 1.04 -0.63 -0.69 0.00 0.00 174.62 174.70 3df3 s ILE 39 N -1.45 3.90 0.31 1.82 1.01 0.11 -4.64 121.20 122.25 3df3 s ILE 39 Ca 0.22 1.00 0.05 0.00 0.00 0.00 0.00 60.65 61.93 3df3 s ILE 39 Cb -0.10 -3.45 -0.06 0.00 0.01 0.00 0.00 42.46 38.86 3df3 s ILE 39 CO 0.13 -0.43 -0.00 -0.36 0.00 0.00 0.00 174.94 174.28 3df3 s PHE 40 N -2.30 1.99 0.17 3.97 0.40 -1.26 -4.35 117.98 116.61 3df3 s PHE 40 Ca 0.64 -0.81 -0.12 0.00 -0.60 0.00 0.00 56.93 56.05 3df3 s PHE 40 Cb -0.15 -1.23 0.07 0.00 0.51 0.00 0.00 43.02 42.21 3df3 s PHE 40 CO 0.30 0.17 1.71 -1.00 0.70 0.00 0.00 175.22 177.09 3df3 h PRO 41 N 2.18 0.90 0.00 0.24 0.13 -1.93 -2.26 132.00 131.26 3df3 h PRO 41 Ca -0.41 -0.19 0.00 0.00 -0.87 0.00 0.00 66.00 64.54 3df3 h PRO 41 Cb 1.24 -0.13 0.00 0.00 0.13 0.00 0.00 31.00 32.23 3df3 h PRO 41 CO 0.69 0.80 0.00 0.27 -0.23 0.00 0.00 178.00 179.54 3df3 n ASN 42 N -4.43 0.00 -0.05 1.44 2.04 -1.26 -1.39 115.26 111.62 3df3 n ASN 42 Ca 0.03 -0.50 -0.00 0.00 -0.44 0.00 0.00 54.58 53.67 3df3 n ASN 42 Cb 0.20 0.00 -0.14 0.00 -2.53 0.00 0.00 39.78 37.31 3df3 n ASN 42 CO 0.00 0.00 0.00 0.23 -0.44 0.00 0.00 177.26 177.05 3df3 n MET 43 N -0.75 0.91 -1.54 -3.83 0.00 -0.85 -4.89 117.12 106.18 3df3 n MET 43 Ca 0.04 -0.08 -0.58 0.00 0.00 0.00 0.00 57.70 57.07 3df3 n MET 43 Cb 0.02 -1.43 -0.09 0.00 0.00 0.00 0.00 33.22 31.72 3df3 n MET 43 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 175.97 177.48 3df3 n ILE 44 N -2.40 0.16 -0.77 2.02 3.06 -0.48 0.73 119.36 121.67 3df3 n ILE 44 Ca -0.16 -0.08 0.00 0.00 -2.50 0.00 0.00 62.75 60.01 3df3 n ILE 44 Cb 0.78 -1.04 0.00 0.00 0.54 0.00 0.00 39.64 39.93 3df3 n ILE 44 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 3df3 n GLY 45 N 5.55 0.56 3.76 4.50 0.00 0.41 -4.89 105.19 115.08 3df3 n GLY 45 Ca 0.38 -0.50 -0.31 0.00 0.00 0.00 0.00 46.02 45.59 3df3 n GLY 45 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3df3 s LEU 46 N 0.00 3.76 -0.21 0.99 2.01 0.22 -4.88 118.68 120.58 3df3 s LEU 46 Ca 0.00 0.02 -0.23 0.00 0.01 0.00 0.00 54.13 53.93 3df3 s LEU 46 Cb 0.00 -2.35 -0.02 0.00 0.01 0.00 0.00 46.19 43.84 3df3 s LEU 46 CO 0.00 0.21 0.74 0.42 1.01 0.00 0.00 176.35 178.73 3df3 s THR 47 N -1.29 4.92 -0.06 5.49 -4.23 -1.26 -3.59 115.64 115.62 3df3 s THR 47 Ca 0.26 1.40 0.01 0.00 -1.18 0.00 0.00 61.69 62.18 3df3 s THR 47 Cb -0.12 -4.04 0.02 0.00 1.34 0.00 0.00 72.50 69.70 3df3 s THR 47 CO 0.18 0.02 -0.07 -0.63 -0.54 0.00 0.00 174.62 173.59 3df3 s ILE 48 N 2.35 0.75 -0.80 2.99 1.01 -1.21 -1.45 121.20 124.84 3df3 s ILE 48 Ca 0.32 -0.22 -0.19 0.00 0.00 0.00 0.00 60.65 60.56 3df3 s ILE 48 Cb -0.16 -0.75 0.13 0.00 0.01 0.00 0.00 42.46 41.69 3df3 s ILE 48 CO 0.10 0.28 0.96 0.00 0.00 0.00 0.00 174.94 176.28 3df3 s ALA 49 N 1.02 3.43 -0.37 9.38 0.00 0.81 -2.39 121.76 133.64 3df3 s ALA 49 Ca -0.09 -2.57 -0.22 0.00 0.00 0.00 0.00 51.96 49.08 3df3 s ALA 49 Cb -0.14 -3.84 0.01 0.00 0.00 0.00 0.00 23.12 19.15 3df3 s ALA 49 CO -0.00 -2.72 0.72 0.08 0.00 0.00 0.00 175.76 173.84 3df3 s VAL 50 N 2.58 4.78 -0.02 0.00 1.01 0.85 -1.68 120.40 127.93 3df3 s VAL 50 Ca 0.24 0.70 -0.30 0.00 0.00 0.00 0.00 61.98 62.63 3df3 s VAL 50 Cb -0.12 -4.17 -0.06 0.00 0.00 0.00 0.00 36.38 32.03 3df3 s VAL 50 CO -0.03 -0.42 1.53 -2.28 0.00 0.00 0.00 175.10 173.90 3df3 s HIS 51 N 2.97 2.44 0.00 5.22 2.46 -0.89 0.46 115.29 127.95 3df3 s HIS 51 Ca 0.28 0.50 0.00 0.00 0.47 0.00 0.00 55.06 56.32 3df3 s HIS 51 Cb -0.14 -3.80 0.00 0.00 -0.13 0.00 0.00 32.58 28.51 3df3 s HIS 51 CO 0.17 -3.18 0.00 0.27 -2.47 0.00 0.00 174.74 169.53 3df3 n ASN 52 N 6.20 0.00 0.00 9.88 6.94 0.70 -4.78 115.26 134.20 3df3 n ASN 52 Ca 0.15 0.14 0.00 0.00 -0.02 0.00 0.00 54.58 54.85 3df3 n ASN 52 Cb 0.43 -0.29 0.00 0.00 -2.36 0.00 0.00 39.78 37.56 3df3 n ASN 52 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3df3 n GLY 53 N 2.07 -0.03 0.13 4.83 0.00 -1.26 -4.90 105.19 106.02 3df3 n GLY 53 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 3df3 n GLY 53 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3df3 n ARG 54 N -2.22 0.66 -0.37 1.61 1.85 -1.26 -5.06 116.66 111.87 3df3 n ARG 54 Ca 0.00 0.23 0.00 0.00 -1.00 0.00 0.00 57.85 57.08 3df3 n ARG 54 Cb 0.00 -1.59 0.00 0.00 -1.05 0.00 0.00 32.46 29.82 3df3 n ARG 54 CO 0.00 0.00 0.00 1.04 -0.01 0.00 0.00 177.63 178.66 3df3 n GLN 55 N -3.57 0.00 -3.22 2.89 1.13 -1.26 -5.16 117.38 108.18 3df3 n GLN 55 Ca -0.42 0.00 -0.19 0.00 -1.94 0.00 0.00 57.00 54.45 3df3 n GLN 55 Cb 0.97 0.00 0.00 0.00 0.11 0.00 0.00 30.24 31.32 3df3 n GLN 55 CO 0.00 0.00 0.00 -1.01 -1.44 0.00 0.00 177.06 174.61 3df3 s HIS 56 N -1.85 2.51 -0.11 1.08 3.76 -1.26 -0.22 115.29 119.20 3df3 s HIS 56 Ca 0.00 -0.50 -0.05 0.00 -0.15 0.00 0.00 55.06 54.36 3df3 s HIS 56 Cb 0.00 -2.27 0.05 0.00 1.11 0.00 0.00 32.58 31.47 3df3 s HIS 56 CO 0.00 -0.45 0.25 0.14 -0.85 0.00 0.00 174.74 173.84 3df3 s VAL 57 N -2.46 -0.04 0.61 -0.90 -7.23 0.17 -4.81 120.40 105.75 3df3 s VAL 57 Ca 0.53 0.15 -0.16 0.00 -1.81 0.00 0.00 61.98 60.68 3df3 s VAL 57 Cb -0.07 -0.39 -0.03 0.00 0.56 0.00 0.00 36.38 36.45 3df3 s VAL 57 CO 0.32 0.06 1.09 -2.16 -0.31 0.00 0.00 175.10 174.09 3df3 s PRO 58 N 1.27 3.14 -0.04 4.82 0.04 -1.24 -0.11 135.00 142.89 3df3 s PRO 58 Ca -0.09 1.33 -0.21 0.00 0.04 0.00 0.00 61.00 62.06 3df3 s PRO 58 Cb -0.10 -2.00 0.04 0.00 0.04 0.00 0.00 34.50 32.48 3df3 s PRO 58 CO -0.09 -0.97 0.47 0.14 0.04 0.00 0.00 177.00 176.60 3df3 s VAL 59 N -2.31 0.03 -0.64 -0.36 -7.23 -1.01 -4.92 120.40 103.97 3df3 s VAL 59 Ca 0.66 -0.25 -0.07 0.00 -1.81 0.00 0.00 61.98 60.51 3df3 s VAL 59 Cb -0.19 -0.77 0.17 0.00 0.56 0.00 0.00 36.38 36.15 3df3 s VAL 59 CO 0.37 -0.14 0.50 0.12 -0.31 0.00 0.00 175.10 175.64 3df3 s PHE 60 N -1.13 3.51 0.47 2.82 2.19 -1.26 -3.28 117.98 121.30 3df3 s PHE 60 Ca -0.11 -2.35 -0.22 0.00 0.33 0.00 0.00 56.93 54.58 3df3 s PHE 60 Cb -0.03 -3.43 -0.09 0.00 -1.31 0.00 0.00 43.02 38.16 3df3 s PHE 60 CO 0.06 -0.92 0.90 0.28 1.83 0.00 0.00 175.22 177.37 3df3 n VAL 61 N 3.93 2.60 -4.06 3.12 0.31 -1.24 -4.66 118.33 118.33 3df3 n VAL 61 Ca 0.06 -0.50 -0.03 0.00 -0.01 0.00 0.00 64.34 63.86 3df3 n VAL 61 Cb 0.41 -1.04 -0.01 0.00 -0.91 0.00 0.00 33.84 32.29 3df3 n VAL 61 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 3df3 n THR 62 N -0.91 0.00 -0.19 2.52 -1.04 -1.26 0.15 114.28 113.56 3df3 n THR 62 Ca 0.11 -0.29 -0.09 0.00 -2.04 0.00 0.00 64.05 61.74 3df3 n THR 62 Cb 0.42 0.11 0.01 0.00 -1.82 0.00 0.00 70.33 69.05 3df3 n THR 62 CO 0.00 0.00 0.00 -2.24 -0.64 0.00 0.00 175.07 172.19 3df3 h ASP 63 N 0.21 0.79 0.78 8.00 2.03 -1.96 -3.02 116.42 123.24 3df3 h ASP 63 Ca -0.04 -0.22 -0.18 0.00 -0.73 0.00 0.00 57.03 55.86 3df3 h ASP 63 Cb 0.15 -0.21 -0.02 0.00 -0.83 0.00 0.00 39.33 38.42 3df3 h ASP 63 CO 0.06 0.80 -0.87 1.05 -1.03 0.00 0.00 179.24 179.25 3df3 h GLU 64 N 0.73 0.05 -0.79 4.15 -0.00 -2.01 -3.28 114.58 113.43 3df3 h GLU 64 Ca 0.17 -0.06 0.03 0.00 -0.00 0.00 0.00 59.36 59.50 3df3 h GLU 64 Cb 0.31 0.02 -0.05 0.00 -0.00 0.00 0.00 28.75 29.03 3df3 h GLU 64 CO -0.00 0.88 0.50 0.52 -0.00 0.00 0.00 179.01 180.91 3df3 h MET 65 N 0.03 0.95 -0.16 1.06 2.86 -1.91 -1.80 114.93 115.94 3df3 h MET 65 Ca -0.02 -0.06 0.05 0.00 -2.06 0.00 0.00 59.70 57.61 3df3 h MET 65 Cb 1.51 -0.21 -0.01 0.00 0.06 0.00 0.00 31.60 32.95 3df3 h MET 65 CO 0.12 0.63 0.41 -0.39 1.06 0.00 0.00 176.91 178.73 3df3 h VAL 66 N 0.98 0.14 -0.01 -2.22 -1.51 -1.59 0.53 116.25 112.56 3df3 h VAL 66 Ca 0.32 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.79 3df3 h VAL 66 Cb 0.02 0.63 0.00 0.00 -2.13 0.00 0.00 31.29 29.82 3df3 h VAL 66 CO -0.12 0.00 -0.28 0.61 -1.23 0.00 0.00 177.57 176.55 3df3 n GLY 67 N -1.34 -0.20 3.78 5.19 0.00 -0.68 -3.99 105.19 107.96 3df3 n GLY 67 Ca 0.02 -0.51 -0.25 0.00 0.00 0.00 0.00 46.02 45.28 3df3 n GLY 67 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3df3 s HIS 68 N -2.39 2.41 0.83 1.61 3.76 0.19 -4.96 115.29 116.73 3df3 s HIS 68 Ca 0.24 -0.64 -0.12 0.00 -0.15 0.00 0.00 55.06 54.39 3df3 s HIS 68 Cb 0.19 -1.95 0.09 0.00 1.11 0.00 0.00 32.58 32.02 3df3 s HIS 68 CO 0.50 0.04 1.11 0.15 -0.85 0.00 0.00 174.74 175.69 3df3 s LYS 69 N -3.99 1.80 -0.02 1.40 -0.14 -1.26 0.08 119.74 117.61 3df3 s LYS 69 Ca 0.38 0.52 0.16 0.00 -1.36 0.00 0.00 55.97 55.67 3df3 s LYS 69 Cb 0.02 -1.90 -0.19 0.00 -1.68 0.00 0.00 37.83 34.08 3df3 s LYS 69 CO 0.22 -1.79 0.63 -0.11 -0.76 0.00 0.00 175.35 173.53 3df3 n LEU 70 N -3.53 0.67 0.02 3.17 7.94 -0.34 -4.25 117.00 120.68 3df3 n LEU 70 Ca 0.07 0.30 -0.03 0.00 -1.11 0.00 0.00 56.01 55.24 3df3 n LEU 70 Cb 0.57 0.17 0.21 0.00 0.53 0.00 0.00 43.42 44.90 3df3 n LEU 70 CO 0.57 0.26 0.74 1.23 -1.11 0.00 0.00 177.39 179.08 3df3 h GLY 71 N 3.72 0.49 1.55 -3.96 0.00 0.20 -2.96 103.07 102.11 3df3 h GLY 71 Ca -0.25 -0.40 0.00 0.00 0.00 0.00 0.00 47.33 46.68 3df3 h GLY 71 CO 0.05 0.36 0.05 -1.84 0.00 0.00 0.00 176.54 175.16 3df3 n GLU 72 N -4.13 0.00 -2.36 4.80 0.28 -1.26 -2.06 120.64 115.91 3df3 n GLU 72 Ca -0.00 0.34 -0.33 0.00 -0.16 0.00 0.00 57.16 57.01 3df3 n GLU 72 Cb 0.40 -1.55 0.01 0.00 1.43 0.00 0.00 31.44 31.73 3df3 n GLU 72 CO 0.00 0.00 0.00 1.19 -0.16 0.00 0.00 177.13 178.16 3df3 n PHE 73 N -1.32 3.29 -2.70 -1.84 3.01 -1.12 -4.75 117.46 112.03 3df3 n PHE 73 Ca 0.00 -2.91 -0.05 0.00 1.01 0.00 0.00 57.45 55.50 3df3 n PHE 73 Cb 0.05 -0.60 0.05 0.00 -0.01 0.00 0.00 39.48 38.97 3df3 n PHE 73 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3df3 n ALA 74 N -0.44 -2.86 -1.72 4.37 0.00 -0.87 -4.99 120.51 113.99 3df3 n ALA 74 Ca 0.44 -0.58 -0.43 0.00 0.00 0.00 0.00 53.44 52.86 3df3 n ALA 74 Cb 0.45 -2.54 -0.03 0.00 0.00 0.00 0.00 19.45 17.33 3df3 n ALA 74 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3df3 s PRO 75 N 0.57 3.25 0.24 0.00 0.04 -1.26 -4.83 135.00 133.00 3df3 s PRO 75 Ca 0.27 1.90 0.13 0.00 0.04 0.00 0.00 61.00 63.34 3df3 s PRO 75 Cb 0.16 -4.31 0.05 0.00 0.04 0.00 0.00 34.50 30.45 3df3 s PRO 75 CO -0.12 -1.97 1.43 1.79 0.04 0.00 0.00 177.00 178.17 3df3 h THR 76 N 6.96 1.16 -3.21 1.26 1.35 -1.95 -3.45 112.91 115.03 3df3 h THR 76 Ca -0.39 -2.53 -0.54 0.00 -0.55 0.00 0.00 66.41 62.39 3df3 h THR 76 Cb 1.22 2.50 -0.01 0.00 -1.73 0.00 0.00 68.15 70.12 3df3 h THR 76 CO 0.98 0.64 0.57 0.00 -0.25 0.00 0.00 175.52 177.45 3df3 s ARG 77 N -2.97 4.43 -0.56 4.72 1.70 -1.26 -4.89 118.95 120.12 3df3 s ARG 77 Ca 0.02 1.62 -0.18 0.00 -0.47 0.00 0.00 55.73 56.72 3df3 s ARG 77 Cb 0.09 -3.46 0.10 0.00 -0.57 0.00 0.00 34.95 31.10 3df3 s ARG 77 CO 0.76 -0.28 0.64 0.99 -1.08 0.00 0.00 175.30 176.33 3df3 s THR 78 N 1.55 4.92 -0.67 4.99 2.01 -1.26 -5.01 115.64 122.17 3df3 s THR 78 Ca 0.55 -0.97 -0.07 0.00 0.31 0.00 0.00 61.69 61.50 3df3 s THR 78 Cb -0.25 -4.40 0.17 0.00 0.01 0.00 0.00 72.50 68.03 3df3 s THR 78 CO 0.25 -0.99 0.53 -0.47 -0.69 0.00 0.00 174.62 173.26 3df3 s TYR 79 N 2.44 3.53 0.00 4.92 5.04 -1.26 -5.31 117.35 126.70 3df3 s TYR 79 Ca 0.10 -2.35 0.00 0.00 -2.44 0.00 0.00 57.07 52.38 3df3 s TYR 79 Cb -0.24 -3.45 0.00 0.00 0.35 0.00 0.00 41.96 38.62 3df3 s TYR 79 CO 0.07 -0.91 0.00 0.54 -1.34 0.00 0.00 175.55 173.91