#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3df2 n PHE 2 N 0.00 -3.08 -1.75 1.12 3.72 -1.26 -2.17 117.46 114.04 3df2 n PHE 2 Ca 0.00 1.24 -0.42 0.00 -0.05 0.00 0.00 57.45 58.21 3df2 n PHE 2 Cb 0.00 -3.81 -0.03 0.00 -0.94 0.00 0.00 39.48 34.70 3df2 n PHE 2 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 3df2 s THR 3 N -2.47 2.30 -0.36 4.37 -4.23 -1.26 -1.82 115.64 112.18 3df2 s THR 3 Ca 0.21 0.08 -0.00 0.00 -1.18 0.00 0.00 61.69 60.79 3df2 s THR 3 Cb -0.06 -3.05 0.13 0.00 1.34 0.00 0.00 72.50 70.86 3df2 s THR 3 CO 0.68 0.00 0.19 -0.63 -0.54 0.00 0.00 174.62 174.32 3df2 s ILE 4 N 1.84 0.49 1.16 2.99 1.01 0.26 -4.93 121.20 124.03 3df2 s ILE 4 Ca 0.77 -1.70 -0.13 0.00 0.00 0.00 0.00 60.65 59.59 3df2 s ILE 4 Cb -0.47 -1.37 0.28 0.00 0.01 0.00 0.00 42.46 40.91 3df2 s ILE 4 CO 0.34 -0.88 1.03 0.54 0.00 0.00 0.00 174.94 175.97 3df2 s ASN 5 N 1.15 0.98 0.00 3.58 4.22 -1.26 0.12 114.94 123.73 3df2 s ASN 5 Ca 0.15 1.57 0.00 0.00 -2.14 0.00 0.00 52.86 52.44 3df2 s ASN 5 Cb -0.21 -2.34 0.00 0.00 1.28 0.00 0.00 41.25 39.98 3df2 s ASN 5 CO -0.09 -4.21 0.00 0.00 -2.04 0.00 0.00 177.10 170.76 3df2 n ALA 6 N -4.93 0.00 -3.59 3.54 0.00 -0.76 -4.52 120.51 110.25 3df2 n ALA 6 Ca 0.03 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.42 3df2 n ALA 6 Cb 0.54 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.96 3df2 n ALA 6 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 3df2 s GLU 7 N -0.36 0.35 0.43 0.00 -1.05 -1.26 -4.66 118.70 112.15 3df2 s GLU 7 Ca 0.00 -0.08 -0.26 0.00 -0.15 0.00 0.00 54.97 54.48 3df2 s GLU 7 Cb 0.00 0.16 -0.09 0.00 -0.44 0.00 0.00 34.13 33.76 3df2 s GLU 7 CO 0.00 -0.14 1.44 0.08 0.95 0.00 0.00 175.26 177.59 3df2 s VAL 8 N -2.14 2.08 0.09 1.83 1.01 -1.26 -1.50 120.40 120.50 3df2 s VAL 8 Ca 0.08 0.07 -0.30 0.00 0.00 0.00 0.00 61.98 61.83 3df2 s VAL 8 Cb -0.01 -3.04 -0.06 0.00 0.00 0.00 0.00 36.38 33.27 3df2 s VAL 8 CO -0.05 0.01 1.13 -0.13 0.00 0.00 0.00 175.10 176.06 3df2 s ARG 9 N -2.37 4.51 0.05 2.72 1.81 0.21 -4.83 118.95 121.05 3df2 s ARG 9 Ca 0.59 1.69 -0.33 0.00 -1.72 0.00 0.00 55.73 55.95 3df2 s ARG 9 Cb -0.44 -3.35 -0.19 0.00 -0.45 0.00 0.00 34.95 30.52 3df2 s ARG 9 CO 0.58 -0.11 1.46 -0.22 -0.68 0.00 0.00 175.30 176.32 3df2 h LYS 10 N 6.28 -1.06 0.00 3.54 3.64 -1.93 -3.47 116.57 123.57 3df2 h LYS 10 Ca -0.42 0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.03 3df2 h LYS 10 Cb 1.21 0.24 0.00 0.00 -0.41 0.00 0.00 32.23 33.27 3df2 h LYS 10 CO 0.77 -0.69 0.00 0.39 -2.27 0.00 0.00 179.45 177.65 3df2 n GLU 11 N -5.53 0.82 -3.08 1.90 4.71 -1.26 -5.19 120.64 113.01 3df2 n GLU 11 Ca -0.15 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.00 3df2 n GLU 11 Cb 0.44 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.87 3df2 n GLU 11 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3df2 n GLN 12 N 0.00 -1.74 0.00 3.49 -0.00 -1.26 -4.97 117.38 112.90 3df2 n GLN 12 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.00 3df2 n GLN 12 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 30.24 30.24 3df2 n GLN 12 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3df2 n GLY 13 N -0.02 0.13 0.37 2.61 0.00 -1.26 -3.80 105.19 103.21 3df2 n GLY 13 Ca 0.00 -1.74 0.23 0.00 0.00 0.00 0.00 46.02 44.51 3df2 n GLY 13 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3df2 h LYS 14 N 0.00 0.40 0.01 1.61 3.64 -2.03 -1.39 116.57 118.82 3df2 h LYS 14 Ca 0.00 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.36 3df2 h LYS 14 Cb 0.00 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 31.73 3df2 h LYS 14 CO 0.00 0.26 -0.01 0.78 -2.27 0.00 0.00 179.45 178.22 3df2 h GLY 15 N 0.41 -0.02 -0.01 5.01 0.00 -2.00 -2.84 103.07 103.62 3df2 h GLY 15 Ca 0.67 0.01 0.04 0.00 0.00 0.00 0.00 47.33 48.06 3df2 h GLY 15 CO -0.46 -0.01 -0.43 0.00 0.00 0.00 0.00 176.54 175.64 3df2 h ALA 16 N -1.98 -0.61 -0.62 3.60 0.00 -1.61 -2.44 119.26 115.60 3df2 h ALA 16 Ca -0.00 -0.01 0.11 0.00 0.00 0.00 0.00 54.91 55.01 3df2 h ALA 16 Cb 0.01 0.81 -0.12 0.00 0.00 0.00 0.00 17.79 18.50 3df2 h ALA 16 CO 0.00 -0.94 -0.32 0.77 0.00 0.00 0.00 179.25 178.77 3df2 h SER 17 N -0.49 -1.11 -0.73 0.00 0.02 -1.41 -0.41 113.55 109.41 3df2 h SER 17 Ca 0.08 0.23 0.11 0.00 -0.84 0.00 0.00 61.79 61.36 3df2 h SER 17 Cb 0.63 0.56 -0.08 0.00 0.14 0.00 0.00 62.40 63.66 3df2 h SER 17 CO -0.41 -0.30 0.36 -0.09 -1.14 0.00 0.00 176.83 175.25 3df2 h ARG 18 N -0.14 0.57 -0.76 3.45 9.65 -1.20 -1.70 114.38 124.25 3df2 h ARG 18 Ca 0.25 -0.03 0.04 0.00 -1.10 0.00 0.00 59.98 59.13 3df2 h ARG 18 Cb 0.55 -0.13 -0.05 0.00 -1.39 0.00 0.00 29.97 28.95 3df2 h ARG 18 CO -0.69 0.38 0.48 0.00 2.80 0.00 0.00 179.97 182.93 3df2 h ARG 19 N 0.59 0.88 -0.07 0.20 3.08 -0.64 -2.87 114.38 115.55 3df2 h ARG 19 Ca 0.37 -0.05 0.04 0.00 0.07 0.00 0.00 59.98 60.41 3df2 h ARG 19 Cb 0.43 -0.20 -0.05 0.00 0.08 0.00 0.00 29.97 30.23 3df2 h ARG 19 CO -0.30 0.58 -0.29 -0.07 -1.07 0.00 0.00 179.97 178.83 3df2 h LEU 20 N 0.91 -0.87 -2.09 3.04 3.38 -0.72 -0.41 115.31 118.55 3df2 h LEU 20 Ca 0.32 0.13 0.09 0.00 0.09 0.00 0.00 57.88 58.50 3df2 h LEU 20 Cb 0.07 0.37 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 3df2 h LEU 20 CO -0.13 -0.34 0.32 0.03 0.09 0.00 0.00 178.44 178.41 3df2 h ARG 21 N -0.39 0.00 0.00 1.13 3.08 -1.39 0.33 114.38 117.14 3df2 h ARG 21 Ca 0.08 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.13 3df2 h ARG 21 Cb 0.51 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.56 3df2 h ARG 21 CO -0.29 0.00 -0.01 0.00 -1.07 0.00 0.00 179.97 178.60 3df2 h ALA 22 N 1.65 1.09 -0.76 0.04 0.00 -0.95 -1.96 119.26 118.37 3df2 h ALA 22 Ca 0.15 -0.01 -0.48 0.00 0.00 0.00 0.00 54.91 54.58 3df2 h ALA 22 Cb 0.80 -0.00 -0.42 0.00 0.00 0.00 0.00 17.79 18.16 3df2 h ALA 22 CO -0.00 0.01 -0.89 0.00 0.00 0.00 0.00 179.25 178.37 3df2 n ALA 23 N -2.13 4.41 0.00 0.00 0.00 0.12 -5.01 120.51 117.90 3df2 n ALA 23 Ca -0.02 -3.58 0.00 0.00 0.00 0.00 0.00 53.44 49.83 3df2 n ALA 23 Cb 0.12 -0.49 0.00 0.00 0.00 0.00 0.00 19.45 19.08 3df2 n ALA 23 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3df2 n ASN 24 N -0.64 0.00 -3.90 0.00 3.02 -0.74 -4.84 115.26 108.17 3df2 n ASN 24 Ca 0.34 0.00 -0.24 0.00 -0.03 0.00 0.00 54.58 54.65 3df2 n ASN 24 Cb 0.90 0.00 -0.18 0.00 -0.61 0.00 0.00 39.78 39.89 3df2 n ASN 24 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3df2 n LYS 25 N 0.00 0.00 -3.53 3.52 5.02 -1.24 -3.47 118.16 118.46 3df2 n LYS 25 Ca 0.00 0.00 -0.33 0.00 -2.02 0.00 0.00 58.31 55.96 3df2 n LYS 25 Cb 0.00 -1.00 -0.05 0.00 -0.02 0.00 0.00 35.03 33.96 3df2 n LYS 25 CO 0.00 0.00 0.00 -0.59 -0.52 0.00 0.00 177.40 176.29 3df2 s PHE 26 N 2.38 3.52 0.82 2.13 -0.12 -1.05 -3.30 117.98 122.36 3df2 s PHE 26 Ca 1.15 0.79 -0.10 0.00 -0.05 0.00 0.00 56.93 58.72 3df2 s PHE 26 Cb -0.84 -2.18 0.09 0.00 -0.63 0.00 0.00 43.02 39.46 3df2 s PHE 26 CO 0.47 0.42 1.11 -1.25 -0.05 0.00 0.00 175.22 175.92 3df2 s PRO 27 N -2.33 1.80 0.05 1.99 0.04 -1.25 -3.29 135.00 132.00 3df2 s PRO 27 Ca 0.39 1.29 -0.28 0.00 0.04 0.00 0.00 61.00 62.45 3df2 s PRO 27 Cb -0.13 -1.84 0.09 0.00 0.04 0.00 0.00 34.50 32.67 3df2 s PRO 27 CO 0.21 -2.00 1.08 0.00 0.04 0.00 0.00 177.00 176.33 3df2 s ALA 28 N -2.82 -1.91 0.04 8.56 0.00 -1.18 -3.96 121.76 120.49 3df2 s ALA 28 Ca 0.63 0.56 -0.00 0.00 0.00 0.00 0.00 51.96 53.15 3df2 s ALA 28 Cb -0.19 0.45 -0.03 0.00 0.00 0.00 0.00 23.12 23.35 3df2 s ALA 28 CO 0.57 -0.96 -0.03 0.96 0.00 0.00 0.00 175.76 176.30 3df2 s ILE 29 N -2.90 0.17 -0.33 0.00 -5.25 -1.22 -2.21 121.20 109.45 3df2 s ILE 29 Ca 0.12 -1.35 0.01 0.00 -0.99 0.00 0.00 60.65 58.44 3df2 s ILE 29 Cb 0.01 -0.88 0.10 0.00 2.95 0.00 0.00 42.46 44.64 3df2 s ILE 29 CO -0.02 -0.74 0.09 -0.63 -1.79 0.00 0.00 174.94 171.85 3df2 s ILE 30 N -2.65 1.46 0.23 8.37 1.01 0.17 -1.80 121.20 127.98 3df2 s ILE 30 Ca -0.05 -1.86 0.01 0.00 0.00 0.00 0.00 60.65 58.75 3df2 s ILE 30 Cb -0.01 -2.09 0.01 0.00 0.01 0.00 0.00 42.46 40.38 3df2 s ILE 30 CO -0.05 -0.66 0.05 0.00 0.00 0.00 0.00 174.94 174.28 3df2 n TYR 31 N 4.51 0.02 -1.36 3.97 0.18 -0.95 -0.84 117.16 122.69 3df2 n TYR 31 Ca 0.01 -1.08 0.00 0.00 1.88 0.00 0.00 57.90 58.71 3df2 n TYR 31 Cb 0.41 -0.16 0.00 0.00 -0.38 0.00 0.00 39.34 39.21 3df2 n TYR 31 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 3df2 n GLY 32 N 2.27 -2.72 0.00 -7.48 0.00 -1.26 -1.38 105.19 94.62 3df2 n GLY 32 Ca -0.07 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.52 3df2 n GLY 32 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3df2 n GLY 33 N 0.08 0.37 0.09 -0.02 0.00 -1.26 -3.57 105.19 100.88 3df2 n GLY 33 Ca 0.00 -1.38 -0.17 0.00 0.00 0.00 0.00 46.02 44.47 3df2 n GLY 33 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3df2 h LYS 34 N 0.00 0.00 -7.36 1.61 3.64 -1.98 -3.47 116.57 109.01 3df2 h LYS 34 Ca 0.00 0.00 -0.48 0.00 -1.27 0.00 0.00 60.65 58.90 3df2 h LYS 34 Cb 0.00 0.00 0.14 0.00 -0.41 0.00 0.00 32.23 31.96 3df2 h LYS 34 CO 0.00 0.87 0.27 -1.83 -2.27 0.00 0.00 179.45 176.48 3df2 s GLU 35 N -2.27 1.39 0.51 1.90 -1.05 -1.26 -5.03 118.70 112.89 3df2 s GLU 35 Ca -0.23 0.75 -0.17 0.00 -0.15 0.00 0.00 54.97 55.17 3df2 s GLU 35 Cb 0.02 -1.83 -0.08 0.00 -0.44 0.00 0.00 34.13 31.80 3df2 s GLU 35 CO 0.56 -2.13 0.98 0.00 0.95 0.00 0.00 175.26 175.62 3df2 s ALA 36 N -2.99 3.04 0.15 -0.84 0.00 -1.26 -4.76 121.76 115.10 3df2 s ALA 36 Ca 0.63 0.23 -0.34 0.00 0.00 0.00 0.00 51.96 52.48 3df2 s ALA 36 Cb -0.17 -3.13 -0.16 0.00 0.00 0.00 0.00 23.12 19.66 3df2 s ALA 36 CO 0.56 -0.21 1.31 -2.30 0.00 0.00 0.00 175.76 175.12 3df2 n PRO 37 N -1.45 1.38 -3.54 0.00 -0.02 -1.26 -4.90 135.00 125.21 3df2 n PRO 37 Ca 0.07 0.49 -0.37 0.00 -2.02 0.00 0.00 63.50 61.67 3df2 n PRO 37 Cb 0.54 -2.10 -0.09 0.00 -0.02 0.00 0.00 33.50 31.83 3df2 n PRO 37 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3df2 s LEU 38 N 0.56 4.12 -1.23 2.45 2.96 -0.02 -4.84 118.68 122.67 3df2 s LEU 38 Ca 0.77 0.25 -0.12 0.00 -0.22 0.00 0.00 54.13 54.81 3df2 s LEU 38 Cb -0.85 -2.27 0.17 0.00 0.50 0.00 0.00 46.19 43.75 3df2 s LEU 38 CO 0.48 -0.01 1.57 0.00 -1.32 0.00 0.00 176.35 177.07 3df2 n ALA 39 N 4.48 4.32 -1.00 5.97 0.00 -1.26 -0.66 120.51 132.37 3df2 n ALA 39 Ca -0.12 -4.27 0.00 0.00 0.00 0.00 0.00 53.44 49.04 3df2 n ALA 39 Cb 0.52 -3.02 0.00 0.00 0.00 0.00 0.00 19.45 16.94 3df2 n ALA 39 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 3df2 n ILE 40 N 4.20 0.00 -2.92 0.00 -0.00 -0.94 0.67 119.36 120.37 3df2 n ILE 40 Ca 0.38 0.00 -0.02 0.00 -0.00 0.00 0.00 62.75 63.11 3df2 n ILE 40 Cb 0.41 -1.96 0.00 0.00 -0.00 0.00 0.00 39.64 38.09 3df2 n ILE 40 CO 0.00 0.00 0.00 -1.83 -0.00 0.00 0.00 176.55 174.72 3df2 s GLU 41 N -2.97 0.89 1.12 6.28 -1.05 -0.56 -3.11 118.70 119.30 3df2 s GLU 41 Ca 0.00 -0.68 -0.15 0.00 -0.15 0.00 0.00 54.97 53.98 3df2 s GLU 41 Cb 0.00 0.01 0.25 0.00 -0.44 0.00 0.00 34.13 33.95 3df2 s GLU 41 CO 0.00 -1.17 1.08 -0.51 0.95 0.00 0.00 175.26 175.61 3df2 s LEU 42 N 1.27 0.99 -0.12 1.83 1.43 -1.21 -4.19 118.68 118.69 3df2 s LEU 42 Ca 0.24 1.05 -0.17 0.00 -1.03 0.00 0.00 54.13 54.21 3df2 s LEU 42 Cb -0.00 -3.00 -0.04 0.00 0.03 0.00 0.00 46.19 43.18 3df2 s LEU 42 CO -0.06 -3.76 0.43 -0.62 0.23 0.00 0.00 176.35 172.56 3df2 s ASP 43 N -3.40 6.64 0.00 2.29 -1.08 -1.26 -2.54 116.67 117.32 3df2 s ASP 43 Ca 0.68 0.76 0.00 0.00 -0.52 0.00 0.00 52.55 53.47 3df2 s ASP 43 Cb -0.17 -2.26 0.00 0.00 -1.46 0.00 0.00 42.92 39.03 3df2 s ASP 43 CO 0.58 0.05 0.53 1.57 0.52 0.00 0.00 175.17 178.42 3df2 n HIS 44 N 3.49 0.00 -0.51 -5.34 -0.00 -1.23 -0.70 115.22 110.93 3df2 n HIS 44 Ca -0.09 0.00 0.41 0.00 -0.00 0.00 0.00 57.72 58.04 3df2 n HIS 44 Cb 0.52 -0.07 0.65 0.00 -0.00 0.00 0.00 29.99 31.09 3df2 n HIS 44 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.34 176.09 3df2 n ASP 45 N -0.71 0.09 -0.07 0.26 9.92 -1.26 0.11 116.55 124.89 3df2 n ASP 45 Ca 0.00 1.03 -0.14 0.00 -0.53 0.00 0.00 54.79 55.15 3df2 n ASP 45 Cb 0.00 -0.51 -0.11 0.00 -0.64 0.00 0.00 41.12 39.86 3df2 n ASP 45 CO 0.00 0.00 0.00 0.11 0.13 0.00 0.00 177.20 177.44 3df2 h LYS 46 N 0.00 0.00 -0.18 -1.24 6.56 -1.98 -3.36 116.57 116.36 3df2 h LYS 46 Ca 0.79 0.00 -0.10 0.00 -1.06 0.00 0.00 60.65 60.27 3df2 h LYS 46 Cb 2.87 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 34.51 3df2 h LYS 46 CO -0.21 0.87 -0.34 0.28 -2.06 0.00 0.00 179.45 177.99 3df2 h VAL 47 N -1.00 1.29 -1.14 0.50 2.07 0.16 -2.97 116.25 115.16 3df2 h VAL 47 Ca -0.06 -1.40 0.32 0.00 0.82 0.00 0.00 66.70 66.39 3df2 h VAL 47 Cb 0.93 1.52 -0.10 0.00 -1.52 0.00 0.00 31.29 32.13 3df2 h VAL 47 CO -0.04 0.43 0.75 -0.03 0.02 0.00 0.00 177.57 178.70 3df2 h MET 48 N 0.32 0.25 0.21 1.57 -1.53 0.69 0.54 114.93 116.99 3df2 h MET 48 Ca 0.04 -0.02 -0.32 0.00 -3.44 0.00 0.00 59.70 55.96 3df2 h MET 48 Cb 0.75 -0.06 0.03 0.00 -0.55 0.00 0.00 31.60 31.78 3df2 h MET 48 CO 0.06 0.17 -1.39 -0.91 0.14 0.00 0.00 176.91 174.97 3df2 h ASN 49 N 0.26 0.78 -0.54 1.39 2.35 -1.67 -3.30 115.58 114.86 3df2 h ASN 49 Ca 0.65 -0.81 0.07 0.00 -0.55 0.00 0.00 56.30 55.66 3df2 h ASN 49 Cb 1.90 -0.25 -0.06 0.00 0.05 0.00 0.00 38.32 39.97 3df2 h ASN 49 CO -0.29 1.63 0.22 0.24 -1.65 0.00 0.00 177.43 177.58 3df2 h MET 50 N 0.16 0.42 0.00 0.81 2.86 -0.95 0.88 114.93 119.11 3df2 h MET 50 Ca -0.22 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.39 3df2 h MET 50 Cb 2.09 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 33.65 3df2 h MET 50 CO 0.26 0.28 0.00 -0.56 1.06 0.00 0.00 176.91 177.94 3df2 h GLN 51 N 0.43 0.00 -2.10 1.72 -0.00 -1.57 -3.19 115.11 110.40 3df2 h GLN 51 Ca 0.25 0.00 -0.05 0.00 -0.00 0.00 0.00 58.65 58.85 3df2 h GLN 51 Cb 0.24 0.00 -0.02 0.00 -0.00 0.00 0.00 27.48 27.70 3df2 h GLN 51 CO -0.23 0.00 -0.06 0.00 -0.00 0.00 0.00 178.83 178.54 3df2 n ALA 52 N -1.95 3.99 -3.34 0.06 0.00 0.30 -4.51 120.51 115.06 3df2 n ALA 52 Ca -0.01 -0.53 0.02 0.00 0.00 0.00 0.00 53.44 52.93 3df2 n ALA 52 Cb 0.15 -1.66 -0.04 0.00 0.00 0.00 0.00 19.45 17.89 3df2 n ALA 52 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 3df2 s LYS 53 N 0.90 0.20 0.53 0.00 2.36 -1.20 -5.03 119.74 117.51 3df2 s LYS 53 Ca 0.19 0.50 0.47 0.00 -2.55 0.00 0.00 55.97 54.59 3df2 s LYS 53 Cb 0.09 0.29 1.62 0.00 -1.05 0.00 0.00 37.83 38.78 3df2 s LYS 53 CO 0.00 -0.07 1.47 0.00 1.55 0.00 0.00 175.35 178.30 3df2 n ALA 54 N 4.75 1.78 -0.35 3.13 0.00 -1.26 -0.30 120.51 128.26 3df2 n ALA 54 Ca -0.09 0.61 0.05 0.00 0.00 0.00 0.00 53.44 54.01 3df2 n ALA 54 Cb 0.54 -1.06 0.20 0.00 0.00 0.00 0.00 19.45 19.13 3df2 n ALA 54 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3df2 h GLU 55 N 0.00 0.98 -0.30 0.00 3.07 -1.90 -0.10 114.58 116.33 3df2 h GLU 55 Ca 0.88 -0.06 0.09 0.00 -0.50 0.00 0.00 59.36 59.77 3df2 h GLU 55 Cb 3.57 -0.22 -0.01 0.00 -0.84 0.00 0.00 28.75 31.24 3df2 h GLU 55 CO -0.01 0.65 0.29 0.35 -1.40 0.00 0.00 179.01 178.89 3df2 h PHE 56 N 1.01 0.00 -0.34 4.33 3.57 -0.85 0.33 116.94 125.00 3df2 h PHE 56 Ca 0.46 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.96 3df2 h PHE 56 Cb 0.36 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.10 3df2 h PHE 56 CO -0.01 0.00 0.00 0.66 -2.23 0.00 0.00 178.31 176.73 3df2 n TYR 57 N -3.94 0.44 -2.09 0.41 0.53 -0.18 -4.34 117.16 108.00 3df2 n TYR 57 Ca 0.04 -0.40 0.03 0.00 -1.02 0.00 0.00 57.90 56.56 3df2 n TYR 57 Cb 0.44 -0.02 0.04 0.00 -1.03 0.00 0.00 39.34 38.78 3df2 n TYR 57 CO 0.00 0.00 0.00 0.43 -1.02 0.00 0.00 176.86 176.27 3df2 n SER 58 N 0.73 0.81 -3.62 7.72 7.64 0.98 -4.82 113.62 123.06 3df2 n SER 58 Ca 0.13 -2.29 -0.14 0.00 1.01 0.00 0.00 58.87 57.57 3df2 n SER 58 Cb 0.44 -0.30 -0.06 0.00 -1.01 0.00 0.00 64.21 63.28 3df2 n SER 58 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 3df2 s GLU 59 N -0.59 0.94 -1.25 1.43 -6.30 -0.09 -4.90 118.70 107.95 3df2 s GLU 59 Ca 0.21 -0.14 -0.20 0.00 -2.50 0.00 0.00 54.97 52.34 3df2 s GLU 59 Cb 0.23 0.43 0.02 0.00 0.00 0.00 0.00 34.13 34.80 3df2 s GLU 59 CO -0.08 -0.31 1.80 0.08 0.02 0.00 0.00 175.26 176.77 3df2 s VAL 60 N -1.94 3.92 1.02 3.70 1.01 -1.26 -4.52 120.40 122.32 3df2 s VAL 60 Ca -0.08 -1.53 -0.16 0.00 0.00 0.00 0.00 61.98 60.20 3df2 s VAL 60 Cb -0.01 -4.98 0.03 0.00 0.00 0.00 0.00 36.38 31.42 3df2 s VAL 60 CO 0.02 -1.67 0.05 0.18 0.00 0.00 0.00 175.10 173.68 3df2 n LEU 61 N 10.46 -1.64 -3.83 3.92 4.77 -0.70 -4.37 117.00 125.62 3df2 n LEU 61 Ca 0.47 0.14 -0.26 0.00 -0.03 0.00 0.00 56.01 56.33 3df2 n LEU 61 Cb 0.46 -1.04 -0.17 0.00 -2.33 0.00 0.00 43.42 40.34 3df2 n LEU 61 CO 0.73 -3.60 -0.40 0.42 -1.33 0.00 0.00 177.39 173.21 3df2 s THR 62 N -2.28 0.73 -0.08 -5.08 -4.23 -0.76 0.29 115.64 104.23 3df2 s THR 62 Ca 0.54 -0.25 -0.05 0.00 -1.18 0.00 0.00 61.69 60.74 3df2 s THR 62 Cb -0.16 -0.91 -0.04 0.00 1.34 0.00 0.00 72.50 72.74 3df2 s THR 62 CO 0.68 0.19 0.15 -0.63 -0.54 0.00 0.00 174.62 174.47 3df2 s ILE 63 N 1.81 5.40 -0.18 2.99 1.09 -1.25 0.93 121.20 131.99 3df2 s ILE 63 Ca 0.03 0.04 -0.08 0.00 -1.10 0.00 0.00 60.65 59.54 3df2 s ILE 63 Cb -0.14 -3.41 -0.04 0.00 -1.06 0.00 0.00 42.46 37.81 3df2 s ILE 63 CO -0.07 0.51 0.08 -0.69 -0.10 0.00 0.00 174.94 174.67 3df2 s VAL 64 N -1.13 4.92 -0.12 2.92 1.01 0.33 -2.80 120.40 125.52 3df2 s VAL 64 Ca 0.19 0.01 -0.14 0.00 0.00 0.00 0.00 61.98 62.04 3df2 s VAL 64 Cb -0.12 -3.22 0.04 0.00 0.00 0.00 0.00 36.38 33.07 3df2 s VAL 64 CO 0.09 0.46 0.39 0.68 0.00 0.00 0.00 175.10 176.72 3df2 s VAL 65 N 0.35 0.01 0.00 2.92 -7.23 -0.11 -1.82 120.40 114.51 3df2 s VAL 65 Ca 0.04 -0.08 0.00 0.00 -1.81 0.00 0.00 61.98 60.13 3df2 s VAL 65 Cb -0.12 -0.57 0.00 0.00 0.56 0.00 0.00 36.38 36.25 3df2 s VAL 65 CO -0.00 -0.04 0.00 0.47 -0.31 0.00 0.00 175.10 175.21 3df2 n ASP 66 N 2.56 0.00 0.00 4.85 8.00 -1.26 -0.42 116.55 130.28 3df2 n ASP 66 Ca -0.15 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.35 3df2 n ASP 66 Cb 0.57 -1.24 0.00 0.00 -0.02 0.00 0.00 41.12 40.43 3df2 n ASP 66 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3df2 n GLY 67 N -1.94 1.37 0.00 0.44 0.00 -1.26 -5.11 105.19 98.68 3df2 n GLY 67 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3df2 n GLY 67 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3df2 n LYS 68 N 0.00 3.62 -4.13 1.61 2.85 0.45 -5.11 118.16 117.44 3df2 n LYS 68 Ca 0.00 0.00 -0.14 0.00 -1.05 0.00 0.00 58.31 57.12 3df2 n LYS 68 Cb 0.00 0.00 -0.06 0.00 -0.65 0.00 0.00 35.03 34.32 3df2 n LYS 68 CO 0.00 0.00 0.00 -1.83 -0.05 0.00 0.00 177.40 175.52 3df2 s GLU 69 N 2.03 1.71 0.00 -1.58 1.03 -1.26 -0.94 118.70 119.69 3df2 s GLU 69 Ca 0.00 -1.72 0.00 0.00 0.03 0.00 0.00 54.97 53.28 3df2 s GLU 69 Cb 0.00 0.39 0.00 0.00 -0.80 0.00 0.00 34.13 33.72 3df2 s GLU 69 CO 0.00 -0.68 0.00 0.44 -1.33 0.00 0.00 175.26 173.69 3df2 n ILE 70 N -0.50 0.00 -1.46 1.83 -0.00 -1.12 -4.94 119.36 113.17 3df2 n ILE 70 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.77 3df2 n ILE 70 Cb 0.62 0.00 0.00 0.00 -0.00 0.00 0.00 39.64 40.26 3df2 n ILE 70 CO 0.00 0.00 0.00 0.29 -0.00 0.00 0.00 176.55 176.84 3df2 n LYS 71 N -0.65 -4.15 -0.69 6.28 5.02 -1.26 -4.01 118.16 118.69 3df2 n LYS 71 Ca 0.00 3.06 0.00 0.00 -2.02 0.00 0.00 58.31 59.35 3df2 n LYS 71 Cb 0.00 -3.42 0.00 0.00 -0.02 0.00 0.00 35.03 31.59 3df2 n LYS 71 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 3df2 n VAL 72 N -0.48 0.00 -4.64 -0.18 0.24 0.14 0.30 118.33 113.72 3df2 n VAL 72 Ca 0.00 0.00 -0.25 0.00 -2.04 0.00 0.00 64.34 62.05 3df2 n VAL 72 Cb 0.00 0.00 -0.14 0.00 -1.47 0.00 0.00 33.84 32.23 3df2 n VAL 72 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 3df2 s LYS 73 N -0.33 1.35 -0.46 7.34 -0.14 -0.28 -1.71 119.74 125.50 3df2 s LYS 73 Ca 0.00 -0.89 -0.28 0.00 -1.36 0.00 0.00 55.97 53.44 3df2 s LYS 73 Cb 0.00 -1.44 0.00 0.00 -1.68 0.00 0.00 37.83 34.72 3df2 s LYS 73 CO 0.00 0.37 1.50 0.00 -0.76 0.00 0.00 175.35 176.45 3df2 s ALA 74 N -0.77 2.89 0.00 5.17 0.00 -1.26 -1.59 121.76 126.20 3df2 s ALA 74 Ca 0.07 -0.29 0.00 0.00 0.00 0.00 0.00 51.96 51.74 3df2 s ALA 74 Cb -0.09 -4.02 0.00 0.00 0.00 0.00 0.00 23.12 19.01 3df2 s ALA 74 CO 0.01 -2.69 0.00 1.04 0.00 0.00 0.00 175.76 174.12 3df2 n GLN 75 N 8.38 0.00 -4.37 0.00 1.13 -0.32 -4.94 117.38 117.26 3df2 n GLN 75 Ca 0.16 0.00 -0.25 0.00 -1.94 0.00 0.00 57.00 54.97 3df2 n GLN 75 Cb 0.48 0.00 -0.13 0.00 0.11 0.00 0.00 30.24 30.71 3df2 n GLN 75 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 3df2 s ASP 76 N -1.00 2.66 -0.12 1.08 3.68 -1.25 -4.94 116.67 116.78 3df2 s ASP 76 Ca 0.00 -0.67 0.02 0.00 2.13 0.00 0.00 52.55 54.04 3df2 s ASP 76 Cb 0.00 -0.17 0.01 0.00 -1.45 0.00 0.00 42.92 41.32 3df2 s ASP 76 CO 0.00 0.10 -0.19 0.54 0.13 0.00 0.00 175.17 175.75 3df2 s VAL 77 N -1.08 1.75 -1.12 1.11 0.11 -1.26 -0.22 120.40 119.69 3df2 s VAL 77 Ca 0.08 -0.80 -0.08 0.00 -2.93 0.00 0.00 61.98 58.24 3df2 s VAL 77 Cb -0.10 -1.56 0.28 0.00 -1.53 0.00 0.00 36.38 33.47 3df2 s VAL 77 CO 0.04 0.49 1.22 0.00 -3.33 0.00 0.00 175.10 173.52 3df2 n GLN 78 N 4.05 3.71 -2.37 1.54 6.02 0.34 -4.99 117.38 125.67 3df2 n GLN 78 Ca -0.20 -4.42 -0.33 0.00 -0.01 0.00 0.00 57.00 52.04 3df2 n GLN 78 Cb 0.52 -2.58 -0.02 0.00 1.02 0.00 0.00 30.24 29.17 3df2 n GLN 78 CO 0.00 0.00 0.00 -0.98 -1.01 0.00 0.00 177.06 175.07 3df2 s ARG 79 N -1.34 3.68 0.36 -1.09 1.70 -1.26 -0.77 118.95 120.23 3df2 s ARG 79 Ca 0.32 1.24 -0.25 0.00 -0.47 0.00 0.00 55.73 56.57 3df2 s ARG 79 Cb -0.06 -2.08 -0.13 0.00 -0.57 0.00 0.00 34.95 32.10 3df2 s ARG 79 CO -0.04 -0.51 0.81 1.58 -1.08 0.00 0.00 175.30 176.05 3df2 n HIS 80 N -1.38 0.48 -0.20 5.89 -0.00 0.32 -4.80 115.22 115.52 3df2 n HIS 80 Ca 0.09 0.66 0.16 0.00 -0.00 0.00 0.00 57.72 58.63 3df2 n HIS 80 Cb 0.53 -2.13 0.50 0.00 -0.00 0.00 0.00 29.99 28.89 3df2 n HIS 80 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 3df2 h PRO 81 N 1.38 0.42 0.00 1.57 0.11 -1.93 -3.36 132.00 130.18 3df2 h PRO 81 Ca -0.40 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.69 3df2 h PRO 81 Cb 1.37 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.38 3df2 h PRO 81 CO 0.56 0.28 0.00 2.48 -0.21 0.00 0.00 178.00 181.11 3df2 n TYR 82 N -4.49 0.00 -3.28 0.65 0.18 -1.26 -5.09 117.16 103.86 3df2 n TYR 82 Ca 0.16 0.00 -0.38 0.00 1.88 0.00 0.00 57.90 59.56 3df2 n TYR 82 Cb 0.58 0.00 -0.06 0.00 -0.38 0.00 0.00 39.34 39.49 3df2 n TYR 82 CO 0.00 0.00 0.00 0.15 -2.08 0.00 0.00 176.86 174.93 3df2 s LYS 83 N 0.00 4.31 -0.98 -3.48 1.02 -1.26 -4.97 119.74 114.39 3df2 s LYS 83 Ca 0.00 0.54 -0.25 0.00 0.02 0.00 0.00 55.97 56.28 3df2 s LYS 83 Cb 0.00 -3.40 -0.21 0.00 -0.52 0.00 0.00 37.83 33.70 3df2 s LYS 83 CO 0.00 0.23 2.13 -2.30 -0.92 0.00 0.00 175.35 174.48 3df2 n PRO 84 N 3.37 0.18 -3.98 -1.68 -0.02 -1.26 -4.16 135.00 127.45 3df2 n PRO 84 Ca -0.07 -1.43 0.02 0.00 -2.02 0.00 0.00 63.50 59.99 3df2 n PRO 84 Cb 0.52 -3.73 0.01 0.00 -0.02 0.00 0.00 33.50 30.28 3df2 n PRO 84 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 3df2 s LYS 85 N 8.46 0.55 0.40 -0.52 -2.85 -1.26 -5.05 119.74 119.48 3df2 s LYS 85 Ca 0.81 -0.36 0.07 0.00 -1.00 0.00 0.00 55.97 55.50 3df2 s LYS 85 Cb -0.07 0.15 -0.06 0.00 -2.06 0.00 0.00 37.83 35.79 3df2 s LYS 85 CO 0.16 -0.26 0.11 -0.51 0.10 0.00 0.00 175.35 174.96 3df2 s LEU 86 N -3.75 3.04 0.00 2.77 1.43 -1.26 -0.53 118.68 120.38 3df2 s LEU 86 Ca 0.28 -1.15 0.00 0.00 -1.03 0.00 0.00 54.13 52.24 3df2 s LEU 86 Cb -0.01 -1.28 0.00 0.00 0.03 0.00 0.00 46.19 44.93 3df2 s LEU 86 CO 0.00 -0.48 0.00 0.00 0.23 0.00 0.00 176.35 176.10 3df2 n GLN 87 N -1.13 0.00 -3.66 1.70 6.02 0.05 -4.57 117.38 115.79 3df2 n GLN 87 Ca -0.02 0.00 -0.15 0.00 -0.01 0.00 0.00 57.00 56.82 3df2 n GLN 87 Cb 0.65 -0.67 -0.07 0.00 1.02 0.00 0.00 30.24 31.17 3df2 n GLN 87 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 3df2 s HIS 88 N -1.45 -0.36 -0.06 1.08 5.04 -1.14 -3.95 115.29 114.44 3df2 s HIS 88 Ca 0.00 0.56 -0.09 0.00 -1.54 0.00 0.00 55.06 53.99 3df2 s HIS 88 Cb 0.00 0.23 0.02 0.00 0.04 0.00 0.00 32.58 32.87 3df2 s HIS 88 CO 0.00 -0.50 0.22 0.96 -2.34 0.00 0.00 174.74 173.08 3df2 s ILE 89 N -1.48 0.03 -0.13 0.89 -5.25 -1.25 0.13 121.20 114.13 3df2 s ILE 89 Ca -0.11 -0.22 -0.07 0.00 -0.99 0.00 0.00 60.65 59.26 3df2 s ILE 89 Cb -0.03 -0.39 -0.04 0.00 2.95 0.00 0.00 42.46 44.96 3df2 s ILE 89 CO 0.05 -0.12 0.12 -1.81 -1.79 0.00 0.00 174.94 171.39 3df2 s ASP 90 N -0.40 6.17 0.07 4.36 1.11 0.69 -3.42 116.67 125.25 3df2 s ASP 90 Ca -0.05 0.37 0.08 0.00 0.18 0.00 0.00 52.55 53.13 3df2 s ASP 90 Cb -0.03 -1.99 -0.03 0.00 1.07 0.00 0.00 42.92 41.94 3df2 s ASP 90 CO 0.01 0.36 -0.22 -0.36 1.18 0.00 0.00 175.17 176.13 3df2 s PHE 91 N -0.72 1.95 -0.30 4.23 2.99 -0.75 -1.17 117.98 124.21 3df2 s PHE 91 Ca 0.13 -0.39 0.00 0.00 0.00 0.00 0.00 56.93 56.67 3df2 s PHE 91 Cb -0.12 -1.12 0.06 0.00 0.00 0.00 0.00 43.02 41.85 3df2 s PHE 91 CO 0.03 0.16 -0.01 0.08 -0.00 0.00 0.00 175.22 175.48 3df2 s VAL 92 N -0.94 2.69 0.02 -0.44 1.01 -0.62 -2.24 120.40 119.87 3df2 s VAL 92 Ca 0.09 -1.64 -0.36 0.00 0.00 0.00 0.00 61.98 60.06 3df2 s VAL 92 Cb -0.09 -2.63 -0.19 0.00 0.00 0.00 0.00 36.38 33.47 3df2 s VAL 92 CO 0.03 -0.20 0.95 0.54 0.00 0.00 0.00 175.10 176.43 3df2 n ARG 93 N 4.52 0.00 0.00 2.72 1.74 -0.48 -1.13 116.66 124.03 3df2 n ARG 93 Ca -0.10 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.98 3df2 n ARG 93 Cb 0.43 -1.36 0.00 0.00 -1.02 0.00 0.00 32.46 30.50 3df2 n ARG 93 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11