#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3df3 s VAL 2 N 0.00 4.46 0.25 1.12 0.11 -1.26 0.12 120.40 125.20 3df3 s VAL 2 Ca 0.00 1.76 0.03 0.00 -2.93 0.00 0.00 61.98 60.84 3df3 s VAL 2 Cb 0.00 -4.14 -0.01 0.00 -1.53 0.00 0.00 36.38 30.70 3df3 s VAL 2 CO 0.00 -0.15 0.10 0.35 -3.33 0.00 0.00 175.10 172.08 3df3 n THR 3 N 5.30 0.00 -3.67 5.04 -2.24 0.31 -1.67 114.28 117.36 3df3 n THR 3 Ca 0.13 -1.50 -0.29 0.00 -2.27 0.00 0.00 64.05 60.12 3df3 n THR 3 Cb 0.45 0.56 -0.15 0.00 -2.10 0.00 0.00 70.33 69.09 3df3 n THR 3 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3df3 s ILE 4 N -2.55 0.48 0.00 2.28 1.01 -1.22 -0.44 121.20 120.75 3df3 s ILE 4 Ca 0.14 -0.95 0.00 0.00 0.00 0.00 0.00 60.65 59.84 3df3 s ILE 4 Cb 0.01 -1.26 0.00 0.00 0.01 0.00 0.00 42.46 41.21 3df3 s ILE 4 CO 0.10 -0.56 0.00 -2.11 0.00 0.00 0.00 174.94 172.37 3df3 n ARG 5 N 5.03 3.33 -4.27 2.79 1.85 -1.17 -1.41 116.66 122.81 3df3 n ARG 5 Ca -0.05 0.00 -0.15 0.00 -1.00 0.00 0.00 57.85 56.65 3df3 n ARG 5 Cb 0.44 0.00 -0.10 0.00 -1.05 0.00 0.00 32.46 31.74 3df3 n ARG 5 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 3df3 s LEU 6 N 0.00 2.38 -0.02 2.89 1.02 -1.26 -2.45 118.68 121.23 3df3 s LEU 6 Ca 0.00 -1.10 -0.00 0.00 0.02 0.00 0.00 54.13 53.05 3df3 s LEU 6 Cb 0.00 -0.28 0.03 0.00 0.02 0.00 0.00 46.19 45.96 3df3 s LEU 6 CO 0.00 -0.42 0.03 0.00 0.02 0.00 0.00 176.35 175.99 3df3 s ALA 7 N -3.40 0.13 -0.82 4.21 0.00 -1.07 -4.83 121.76 115.97 3df3 s ALA 7 Ca 0.21 0.27 -0.25 0.00 0.00 0.00 0.00 51.96 52.19 3df3 s ALA 7 Cb 0.04 -0.33 -0.03 0.00 0.00 0.00 0.00 23.12 22.80 3df3 s ALA 7 CO 0.03 -0.19 1.84 0.50 0.00 0.00 0.00 175.76 177.95 3df3 s ARG 8 N 1.30 2.71 -0.28 0.00 3.52 -1.26 -1.19 118.95 123.74 3df3 s ARG 8 Ca -0.06 -0.12 0.12 0.00 -0.13 0.00 0.00 55.73 55.54 3df3 s ARG 8 Cb -0.13 -4.86 0.72 0.00 -1.56 0.00 0.00 34.95 29.12 3df3 s ARG 8 CO -0.03 -3.02 1.72 0.72 -0.81 0.00 0.00 175.30 173.88 3df3 n HIS 9 N 12.91 2.08 -2.89 5.12 8.25 -1.25 -4.82 115.22 134.62 3df3 n HIS 9 Ca 0.32 -1.08 -0.08 0.00 -0.26 0.00 0.00 57.72 56.61 3df3 n HIS 9 Cb 0.49 -0.59 0.03 0.00 1.12 0.00 0.00 29.99 31.04 3df3 n HIS 9 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3df3 n GLY 10 N -0.11 1.70 0.00 -1.41 0.00 -1.26 -4.74 105.19 99.37 3df3 n GLY 10 Ca 0.35 -2.13 0.00 0.00 0.00 0.00 0.00 46.02 44.24 3df3 n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3df3 n ALA 11 N -2.77 0.00 -2.40 4.61 0.00 0.88 -4.81 120.51 116.02 3df3 n ALA 11 Ca -0.06 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 52.96 3df3 n ALA 11 Cb 0.25 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.67 3df3 n ALA 11 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 3df3 s LYS 12 N -2.37 4.40 0.00 0.00 2.36 -1.26 -2.74 119.74 120.12 3df3 s LYS 12 Ca 0.00 1.78 0.00 0.00 -2.55 0.00 0.00 55.97 55.20 3df3 s LYS 12 Cb 0.00 -3.40 0.00 0.00 -1.05 0.00 0.00 37.83 33.38 3df3 s LYS 12 CO 0.00 -0.33 0.00 1.63 1.55 0.00 0.00 175.35 178.20 3df3 n LYS 13 N 4.30 0.00 -3.90 4.03 5.02 -1.26 -4.85 118.16 121.50 3df3 n LYS 13 Ca 0.10 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 56.10 3df3 n LYS 13 Cb 0.46 -2.70 -0.12 0.00 -0.02 0.00 0.00 35.03 32.64 3df3 n LYS 13 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3df3 s ARG 14 N 0.00 2.37 1.30 1.97 0.52 -1.11 -5.10 118.95 118.90 3df3 s ARG 14 Ca 0.00 -3.13 -0.22 0.00 -0.52 0.00 0.00 55.73 51.87 3df3 s ARG 14 Cb 0.00 -3.43 0.32 0.00 0.52 0.00 0.00 34.95 32.36 3df3 s ARG 14 CO 0.00 -1.23 1.07 -1.25 0.02 0.00 0.00 175.30 173.91 3df3 s PRO 15 N -1.10 -1.97 -0.38 3.54 0.04 -1.26 -0.09 135.00 133.80 3df3 s PRO 15 Ca 0.23 -0.16 0.08 0.00 0.04 0.00 0.00 61.00 61.18 3df3 s PRO 15 Cb -0.11 -1.52 0.32 0.00 0.04 0.00 0.00 34.50 33.24 3df3 s PRO 15 CO -0.11 -4.18 1.30 0.34 0.04 0.00 0.00 177.00 174.39 3df3 n PHE 16 N -5.08 -2.03 -1.40 0.56 -0.00 -1.26 -4.50 117.46 103.75 3df3 n PHE 16 Ca 0.15 -1.66 -0.49 0.00 -0.00 0.00 0.00 57.45 55.46 3df3 n PHE 16 Cb 0.60 1.51 -0.13 0.00 -0.00 0.00 0.00 39.48 41.46 3df3 n PHE 16 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.76 177.42 3df3 n TYR 17 N -0.63 0.84 -3.48 -5.13 4.02 -1.24 -3.78 117.16 107.75 3df3 n TYR 17 Ca -0.08 0.53 -0.39 0.00 -0.01 0.00 0.00 57.90 57.95 3df3 n TYR 17 Cb 0.81 -2.35 -0.10 0.00 -0.02 0.00 0.00 39.34 37.68 3df3 n TYR 17 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 176.86 174.71 3df3 s GLN 18 N 7.74 4.00 0.65 -0.72 0.74 -0.33 -2.20 119.66 129.53 3df3 s GLN 18 Ca 1.28 -0.11 -0.17 0.00 0.05 0.00 0.00 55.36 56.41 3df3 s GLN 18 Cb -1.33 -3.65 -0.00 0.00 1.10 0.00 0.00 33.01 29.13 3df3 s GLN 18 CO 0.55 -0.22 1.18 0.08 -0.55 0.00 0.00 175.29 176.34 3df3 s VAL 19 N 1.88 2.69 -0.30 1.34 1.01 -1.20 -2.61 120.40 123.21 3df3 s VAL 19 Ca 0.12 0.37 -0.21 0.00 0.00 0.00 0.00 61.98 62.26 3df3 s VAL 19 Cb -0.16 -3.01 0.19 0.00 0.00 0.00 0.00 36.38 33.41 3df3 s VAL 19 CO 0.10 -0.15 1.32 0.54 0.00 0.00 0.00 175.10 176.91 3df3 s VAL 20 N -1.89 0.00 -0.23 2.92 0.11 -1.03 -3.59 120.40 116.69 3df3 s VAL 20 Ca 0.74 0.00 -0.29 0.00 -2.93 0.00 0.00 61.98 59.50 3df3 s VAL 20 Cb -0.27 -1.00 0.01 0.00 -1.53 0.00 0.00 36.38 33.58 3df3 s VAL 20 CO 0.38 0.00 1.07 -0.69 -3.33 0.00 0.00 175.10 172.53 3df3 s VAL 21 N 0.51 4.62 0.36 2.04 1.01 -0.28 -3.03 120.40 125.62 3df3 s VAL 21 Ca 0.00 1.94 -0.01 0.00 0.00 0.00 0.00 61.98 63.92 3df3 s VAL 21 Cb -0.04 -4.29 0.00 0.00 0.00 0.00 0.00 36.38 32.06 3df3 s VAL 21 CO -0.13 -0.21 0.48 0.00 0.00 0.00 0.00 175.10 175.24 3df3 s ALA 22 N 3.29 0.91 0.19 5.51 0.00 0.41 0.33 121.76 132.41 3df3 s ALA 22 Ca 0.45 -1.61 -0.14 0.00 0.00 0.00 0.00 51.96 50.67 3df3 s ALA 22 Cb -0.15 1.17 -0.07 0.00 0.00 0.00 0.00 23.12 24.06 3df3 s ALA 22 CO 0.08 -0.79 0.59 0.34 0.00 0.00 0.00 175.76 175.98 3df3 s ASP 23 N -3.27 6.80 0.00 0.00 -1.08 -1.26 0.11 116.67 117.97 3df3 s ASP 23 Ca 0.31 1.10 0.00 0.00 -0.52 0.00 0.00 52.55 53.44 3df3 s ASP 23 Cb -0.01 -2.30 0.00 0.00 -1.46 0.00 0.00 42.92 39.16 3df3 s ASP 23 CO 0.22 0.03 0.86 -0.24 0.52 0.00 0.00 175.17 176.56 3df3 n SER 24 N 0.47 0.00 -0.33 -0.34 2.88 0.32 -2.38 113.62 114.24 3df3 n SER 24 Ca -0.03 0.86 0.08 0.00 -1.33 0.00 0.00 58.87 58.45 3df3 n SER 24 Cb 0.52 -0.36 0.18 0.00 -0.75 0.00 0.00 64.21 63.80 3df3 n SER 24 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 3df3 n ARG 25 N -2.13 -0.08 -1.61 -1.46 3.00 -1.26 -4.49 116.66 108.62 3df3 n ARG 25 Ca 0.00 1.45 -0.54 0.00 -0.01 0.00 0.00 57.85 58.75 3df3 n ARG 25 Cb 0.00 -2.20 -0.07 0.00 0.00 0.00 0.00 32.46 30.19 3df3 n ARG 25 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 3df3 n ASN 26 N -5.49 1.61 -4.73 0.55 5.03 -1.00 -4.88 115.26 106.35 3df3 n ASN 26 Ca 0.17 1.12 -0.37 0.00 0.87 0.00 0.00 54.58 56.37 3df3 n ASN 26 Cb 0.55 -1.14 0.07 0.00 -1.02 0.00 0.00 39.78 38.23 3df3 n ASN 26 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3df3 s ALA 27 N 1.11 2.36 0.00 5.41 0.00 -1.26 -4.84 121.76 124.54 3df3 s ALA 27 Ca 0.88 1.16 0.00 0.00 0.00 0.00 0.00 51.96 54.00 3df3 s ALA 27 Cb -1.02 -3.54 0.00 0.00 0.00 0.00 0.00 23.12 18.56 3df3 s ALA 27 CO 0.53 -1.59 0.79 2.89 0.00 0.00 0.00 175.76 178.37 3df3 n ARG 28 N -1.97 0.00 0.00 0.00 -4.01 -1.26 0.73 116.66 110.15 3df3 n ARG 28 Ca 0.15 0.79 0.00 0.00 -1.04 0.00 0.00 57.85 57.75 3df3 n ARG 28 Cb 0.48 -1.27 0.00 0.00 -3.04 0.00 0.00 32.46 28.63 3df3 n ARG 28 CO 0.00 0.00 0.00 0.09 -3.04 0.00 0.00 177.63 174.68 3df3 n ASN 29 N -2.24 0.01 -2.25 2.89 3.02 -1.26 -4.77 115.26 110.66 3df3 n ASN 29 Ca 0.00 -1.41 0.00 0.00 -0.03 0.00 0.00 54.58 53.14 3df3 n ASN 29 Cb 0.00 -0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 3df3 n ASN 29 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3df3 n GLY 30 N 0.20 0.09 3.68 7.41 0.00 0.22 -5.02 105.19 111.78 3df3 n GLY 30 Ca 0.00 -1.71 -0.38 0.00 0.00 0.00 0.00 46.02 43.93 3df3 n GLY 30 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3df3 n ARG 31 N 0.00 1.10 -3.83 1.61 0.63 -1.26 -4.88 116.66 110.03 3df3 n ARG 31 Ca 0.00 0.43 -0.09 0.00 -0.92 0.00 0.00 57.85 57.26 3df3 n ARG 31 Cb 0.00 -2.36 -0.07 0.00 0.45 0.00 0.00 32.46 30.48 3df3 n ARG 31 CO 0.00 0.00 0.00 -0.59 -2.51 0.00 0.00 177.63 174.53 3df3 s PHE 32 N -1.43 0.09 0.00 -0.14 -0.71 -1.26 -4.64 117.98 109.90 3df3 s PHE 32 Ca 0.78 -0.47 0.00 0.00 -1.04 0.00 0.00 56.93 56.19 3df3 s PHE 32 Cb -0.41 -0.02 0.00 0.00 -1.21 0.00 0.00 43.02 41.38 3df3 s PHE 32 CO 0.45 -0.54 0.22 -0.89 -1.34 0.00 0.00 175.22 173.12 3df3 n ILE 33 N 0.06 0.00 -4.14 -4.49 5.41 0.15 -4.94 119.36 111.42 3df3 n ILE 33 Ca -0.16 0.48 -0.19 0.00 1.00 0.00 0.00 62.75 63.89 3df3 n ILE 33 Cb 0.62 -1.00 -0.16 0.00 -0.71 0.00 0.00 39.64 38.39 3df3 n ILE 33 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 176.55 174.72 3df3 s GLU 34 N -0.70 0.66 -0.65 0.38 -1.05 -0.85 -5.00 118.70 111.49 3df3 s GLU 34 Ca 0.00 -0.10 -0.27 0.00 -0.15 0.00 0.00 54.97 54.45 3df3 s GLU 34 Cb 0.00 -0.69 -0.00 0.00 -0.44 0.00 0.00 34.13 33.00 3df3 s GLU 34 CO 0.00 -0.04 1.63 0.50 0.95 0.00 0.00 175.26 178.30 3df3 s ARG 35 N 0.68 2.87 -0.28 -4.83 3.00 -1.26 -1.13 118.95 118.00 3df3 s ARG 35 Ca -0.09 0.30 -0.08 0.00 -1.00 0.00 0.00 55.73 54.86 3df3 s ARG 35 Cb -0.12 -4.30 -0.02 0.00 0.00 0.00 0.00 34.95 30.52 3df3 s ARG 35 CO -0.00 -2.48 0.11 0.54 0.00 0.00 0.00 175.30 173.48 3df3 s VAL 36 N 7.69 4.44 0.25 7.11 0.11 -1.24 -4.95 120.40 133.81 3df3 s VAL 36 Ca 0.55 -0.34 0.00 0.00 -2.93 0.00 0.00 61.98 59.26 3df3 s VAL 36 Cb -0.11 -3.19 0.00 0.00 -1.53 0.00 0.00 36.38 31.55 3df3 s VAL 36 CO 0.19 0.18 0.00 0.61 -3.33 0.00 0.00 175.10 172.75 3df3 n GLY 37 N 4.95 -1.37 0.00 6.54 0.00 -1.26 -3.80 105.19 110.25 3df3 n GLY 37 Ca -0.15 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.08 3df3 n GLY 37 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 3df3 n PHE 38 N -3.17 -0.31 -3.72 1.61 1.16 -1.26 -3.24 117.46 108.53 3df3 n PHE 38 Ca 0.00 0.00 -0.06 0.00 -1.87 0.00 0.00 57.45 55.52 3df3 n PHE 38 Cb 0.62 0.00 -0.02 0.00 -1.61 0.00 0.00 39.48 38.47 3df3 n PHE 38 CO 0.00 0.00 0.00 0.12 -1.87 0.00 0.00 176.76 175.01 3df3 s PHE 39 N -4.18 -0.23 -0.30 2.97 5.36 -0.93 -2.04 117.98 118.63 3df3 s PHE 39 Ca 0.00 -0.10 -0.06 0.00 -0.96 0.00 0.00 56.93 55.80 3df3 s PHE 39 Cb 0.00 0.64 0.16 0.00 -0.34 0.00 0.00 43.02 43.48 3df3 s PHE 39 CO 0.00 -0.94 0.64 1.21 -1.46 0.00 0.00 175.22 174.67 3df3 s ASN 40 N -2.86 -1.22 -0.06 6.13 2.47 -0.24 -4.02 114.94 115.14 3df3 s ASN 40 Ca 0.10 1.25 0.04 0.00 0.42 0.00 0.00 52.86 54.66 3df3 s ASN 40 Cb -0.03 2.22 0.21 0.00 -1.45 0.00 0.00 41.25 42.20 3df3 s ASN 40 CO 0.01 -0.23 0.84 -0.81 -3.72 0.00 0.00 177.10 173.18 3df3 n PRO 41 N 5.43 1.97 0.00 0.43 -0.04 -1.26 -4.63 135.00 136.90 3df3 n PRO 41 Ca -0.07 -0.80 0.00 0.00 -0.04 0.00 0.00 63.50 62.59 3df3 n PRO 41 Cb 0.50 -1.67 0.00 0.00 -0.04 0.00 0.00 33.50 32.29 3df3 n PRO 41 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 3df3 n ILE 42 N 0.15 0.00 -3.10 0.52 2.08 -1.26 -5.07 119.36 112.68 3df3 n ILE 42 Ca 0.07 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.38 3df3 n ILE 42 Cb 0.48 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.37 3df3 n ILE 42 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3df3 n ALA 43 N -3.00 0.00 0.00 -1.39 0.00 -1.26 -4.59 120.51 110.27 3df3 n ALA 43 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3df3 n ALA 43 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3df3 n ALA 43 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3df3 n SER 44 N 2.96 0.00 -3.52 0.00 3.41 -1.26 -4.91 113.62 110.30 3df3 n SER 44 Ca 0.00 0.00 -0.26 0.00 -0.26 0.00 0.00 58.87 58.35 3df3 n SER 44 Cb 0.00 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 63.97 3df3 n SER 44 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 3df3 n GLU 45 N 0.00 -4.79 -0.32 4.33 0.00 -1.26 -4.77 120.64 113.83 3df3 n GLU 45 Ca 0.00 0.64 0.00 0.00 0.00 0.00 0.00 57.16 57.80 3df3 n GLU 45 Cb 0.00 -5.47 0.00 0.00 0.00 0.00 0.00 31.44 25.97 3df3 n GLU 45 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.13 177.49 3df3 n LYS 46 N -4.24 0.66 -0.42 5.31 2.85 -1.26 -4.62 118.16 116.44 3df3 n LYS 46 Ca -0.01 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.25 3df3 n LYS 46 Cb 0.55 -1.17 0.00 0.00 -0.65 0.00 0.00 35.03 33.76 3df3 n LYS 46 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 3df3 n GLU 47 N 1.65 0.00 -3.94 -1.58 -0.58 -1.26 -4.81 120.64 110.12 3df3 n GLU 47 Ca 0.00 0.00 -0.09 0.00 -0.42 0.00 0.00 57.16 56.65 3df3 n GLU 47 Cb 0.33 -4.05 -0.07 0.00 -0.57 0.00 0.00 31.44 27.08 3df3 n GLU 47 CO 0.00 0.00 0.00 -2.00 -0.48 0.00 0.00 177.13 174.65 3df3 s GLU 48 N -0.83 1.12 0.00 3.49 2.56 -1.26 -5.02 118.70 118.75 3df3 s GLU 48 Ca 0.00 -1.13 0.00 0.00 0.00 0.00 0.00 54.97 53.84 3df3 s GLU 48 Cb 0.00 0.38 0.00 0.00 2.00 0.00 0.00 34.13 36.51 3df3 s GLU 48 CO 0.00 -0.40 0.00 0.41 -0.56 0.00 0.00 175.26 174.71 3df3 n GLY 49 N -0.20 0.00 3.63 -1.50 0.00 -1.26 -4.66 105.19 101.20 3df3 n GLY 49 Ca -0.09 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.80 3df3 n GLY 49 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3df3 s THR 50 N 0.00 0.00 0.00 2.61 2.01 -1.26 -1.08 115.64 117.92 3df3 s THR 50 Ca 0.00 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.00 3df3 s THR 50 Cb 0.00 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.51 3df3 s THR 50 CO 0.00 0.00 0.00 0.54 -0.69 0.00 0.00 174.62 174.47 3df3 n ARG 51 N 2.55 0.55 0.00 4.92 3.00 -0.87 -4.97 116.66 121.85 3df3 n ARG 51 Ca -0.14 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.70 3df3 n ARG 51 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.01 3df3 n ARG 51 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.63 177.52 3df3 n LEU 52 N 0.00 0.00 -3.71 0.55 7.94 -1.26 -4.19 117.00 116.33 3df3 n LEU 52 Ca 0.00 0.00 -0.23 0.00 -1.11 0.00 0.00 56.01 54.67 3df3 n LEU 52 Cb 0.00 0.00 0.04 0.00 0.53 0.00 0.00 43.42 43.99 3df3 n LEU 52 CO 0.00 0.00 0.01 -0.67 -1.11 0.00 0.00 177.39 175.62 3df3 n ASP 53 N -0.35 -2.34 -0.06 1.96 4.64 -1.26 -4.02 116.55 115.13 3df3 n ASP 53 Ca 0.00 -0.77 -0.00 0.00 -1.38 0.00 0.00 54.79 52.64 3df3 n ASP 53 Cb 0.00 -4.21 0.01 0.00 -1.04 0.00 0.00 41.12 35.87 3df3 n ASP 53 CO 0.00 0.00 0.00 0.18 -0.82 0.00 0.00 177.20 176.56 3df3 n LEU 54 N -4.39 -0.10 -0.31 -2.67 4.77 -1.26 -0.65 117.00 112.39 3df3 n LEU 54 Ca -0.21 0.27 -0.11 0.00 -0.03 0.00 0.00 56.01 55.93 3df3 n LEU 54 Cb 0.64 -0.06 -0.09 0.00 -2.33 0.00 0.00 43.42 41.58 3df3 n LEU 54 CO 0.69 -0.24 0.49 0.44 -1.33 0.00 0.00 177.39 177.43 3df3 h ASP 55 N 0.00 -1.95 -0.55 -1.43 5.19 -2.00 0.42 116.42 116.10 3df3 h ASP 55 Ca 0.05 0.28 0.02 0.00 -0.62 0.00 0.00 57.03 56.76 3df3 h ASP 55 Cb 0.09 0.84 -0.03 0.00 0.18 0.00 0.00 39.33 40.41 3df3 h ASP 55 CO -0.15 -0.27 0.35 0.03 -3.12 0.00 0.00 179.24 176.08 3df3 h ARG 56 N -0.12 0.67 -0.37 3.56 2.47 -1.21 -2.38 114.38 117.01 3df3 h ARG 56 Ca 0.12 -0.04 0.07 0.00 -1.26 0.00 0.00 59.98 58.87 3df3 h ARG 56 Cb 0.44 -0.15 -0.06 0.00 -1.65 0.00 0.00 29.97 28.54 3df3 h ARG 56 CO -0.78 0.45 -0.02 0.82 0.56 0.00 0.00 179.97 180.99 3df3 h ILE 57 N 0.69 0.70 -0.19 2.04 1.08 -0.98 -2.68 117.51 118.17 3df3 h ILE 57 Ca 0.21 -0.03 0.05 0.00 -0.39 0.00 0.00 64.86 64.71 3df3 h ILE 57 Cb -0.02 0.62 -0.07 0.00 -3.07 0.00 0.00 36.82 34.28 3df3 h ILE 57 CO -0.08 0.01 -0.33 0.00 -0.69 0.00 0.00 178.15 177.07 3df3 h ALA 58 N 1.34 -0.35 -0.21 1.87 0.00 0.26 -0.52 119.26 121.65 3df3 h ALA 58 Ca 0.18 0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.17 3df3 h ALA 58 Cb 0.26 0.65 -0.07 0.00 0.00 0.00 0.00 17.79 18.63 3df3 h ALA 58 CO -0.32 -0.79 -0.50 1.25 0.00 0.00 0.00 179.25 178.89 3df3 h HIS 59 N -0.37 -1.48 0.11 0.00 -0.00 -1.15 -0.75 115.15 111.51 3df3 h HIS 59 Ca 0.11 0.06 -0.01 0.00 -0.00 0.00 0.00 60.37 60.54 3df3 h HIS 59 Cb 0.55 0.67 0.00 0.00 -0.00 0.00 0.00 27.41 28.63 3df3 h HIS 59 CO -0.44 -0.51 -0.05 -1.49 -0.00 0.00 0.00 177.93 175.44 3df3 h TRP 60 N -0.50 -0.13 -0.96 5.26 -0.00 -1.35 -2.50 115.95 115.77 3df3 h TRP 60 Ca 0.07 -0.00 0.15 0.00 -0.00 0.00 0.00 58.89 59.10 3df3 h TRP 60 Cb 0.65 0.04 -0.09 0.00 -0.00 0.00 0.00 29.16 29.75 3df3 h TRP 60 CO -0.59 -0.08 0.57 0.28 -0.00 0.00 0.00 178.44 178.63 3df3 h VAL 61 N -0.14 0.80 0.00 1.49 2.07 -0.86 0.30 116.25 119.91 3df3 h VAL 61 Ca -0.01 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 67.22 3df3 h VAL 61 Cb 0.11 -0.09 0.00 0.00 -1.52 0.00 0.00 31.29 29.79 3df3 h VAL 61 CO 0.02 0.15 0.00 1.23 0.02 0.00 0.00 177.57 178.99 3df3 h GLY 62 N 0.82 0.00 -1.42 2.17 0.00 -0.91 -2.61 103.07 101.13 3df3 h GLY 62 Ca 0.52 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.85 3df3 h GLY 62 CO -0.33 0.00 0.00 -1.06 0.00 0.00 0.00 176.54 175.15 3df3 n GLN 63 N -2.57 1.96 0.00 4.80 6.02 0.10 -4.87 117.38 122.83 3df3 n GLN 63 Ca 0.02 -1.48 0.00 0.00 -0.01 0.00 0.00 57.00 55.53 3df3 n GLN 63 Cb 0.31 -1.37 0.00 0.00 1.02 0.00 0.00 30.24 30.20 3df3 n GLN 63 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3df3 n GLY 64 N 1.20 1.02 3.66 1.08 0.00 -1.00 -5.07 105.19 106.08 3df3 n GLY 64 Ca 0.15 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.79 3df3 n GLY 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3df3 s ALA 65 N -2.00 3.57 -1.21 4.61 0.00 -1.10 -4.55 121.76 121.08 3df3 s ALA 65 Ca 0.00 -0.65 -0.18 0.00 0.00 0.00 0.00 51.96 51.13 3df3 s ALA 65 Cb 0.00 -2.58 0.09 0.00 0.00 0.00 0.00 23.12 20.63 3df3 s ALA 65 CO 0.00 -0.33 1.60 0.99 0.00 0.00 0.00 175.76 178.03 3df3 s THR 66 N 1.36 4.27 -0.07 0.00 2.01 -0.67 -4.69 115.64 117.85 3df3 s THR 66 Ca 0.16 -1.80 -0.37 0.00 0.31 0.00 0.00 61.69 59.99 3df3 s THR 66 Cb -0.15 -5.10 -0.15 0.00 0.01 0.00 0.00 72.50 67.11 3df3 s THR 66 CO 0.07 -1.92 1.62 0.00 -0.69 0.00 0.00 174.62 173.71 3df3 n ILE 67 N 6.15 0.22 -0.89 1.82 0.13 -1.26 -3.42 119.36 122.10 3df3 n ILE 67 Ca 0.43 -0.04 -0.30 0.00 -1.10 0.00 0.00 62.75 61.74 3df3 n ILE 67 Cb 0.47 -1.26 0.17 0.00 -0.84 0.00 0.00 39.64 38.18 3df3 n ILE 67 CO 0.00 0.00 0.00 -0.94 2.80 0.00 0.00 176.55 178.41 3df3 s SER 68 N 2.32 2.86 0.02 9.51 1.04 -0.50 -4.86 113.70 124.09 3df3 s SER 68 Ca 0.90 1.78 -0.26 0.00 0.48 0.00 0.00 55.95 58.85 3df3 s SER 68 Cb -0.91 -2.38 -0.17 0.00 0.10 0.00 0.00 66.02 62.66 3df3 s SER 68 CO 0.53 -3.07 1.35 0.44 0.98 0.00 0.00 173.24 173.47 3df3 h ASP 69 N -1.85 -0.37 -0.05 7.02 3.32 -1.91 -2.52 116.42 120.06 3df3 h ASP 69 Ca -0.49 -0.14 0.02 0.00 0.02 0.00 0.00 57.03 56.45 3df3 h ASP 69 Cb 1.28 0.10 -0.03 0.00 0.22 0.00 0.00 39.33 40.90 3df3 h ASP 69 CO 0.49 -0.06 -0.09 -0.09 -1.72 0.00 0.00 179.24 177.77 3df3 h ARG 70 N -0.70 -0.13 -0.83 3.56 9.65 -1.95 -2.52 114.38 121.47 3df3 h ARG 70 Ca -0.04 0.01 0.08 0.00 -1.10 0.00 0.00 59.98 58.93 3df3 h ARG 70 Cb 0.48 0.03 -0.07 0.00 -1.39 0.00 0.00 29.97 29.02 3df3 h ARG 70 CO 0.07 -0.08 0.49 -0.24 2.80 0.00 0.00 179.97 183.01 3df3 h VAL 71 N -0.13 0.95 -0.91 0.20 3.04 -1.87 -1.22 116.25 116.31 3df3 h VAL 71 Ca 0.05 -0.29 0.13 0.00 -1.01 0.00 0.00 66.70 65.59 3df3 h VAL 71 Cb 0.20 0.03 -0.09 0.00 -2.01 0.00 0.00 31.29 29.43 3df3 h VAL 71 CO -0.13 0.15 0.53 0.00 -1.01 0.00 0.00 177.57 177.12 3df3 h ALA 72 N 1.44 1.39 -0.85 3.17 0.00 -1.02 0.41 119.26 123.80 3df3 h ALA 72 Ca 0.39 0.05 0.08 0.00 0.00 0.00 0.00 54.91 55.43 3df3 h ALA 72 Cb 0.30 -0.11 -0.07 0.00 0.00 0.00 0.00 17.79 17.92 3df3 h ALA 72 CO -0.22 0.05 0.51 0.00 0.00 0.00 0.00 179.25 179.59 3df3 h ALA 73 N 1.54 1.20 -0.13 0.00 0.00 -0.96 -1.83 119.26 119.08 3df3 h ALA 73 Ca 0.48 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.40 3df3 h ALA 73 Cb 0.58 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 3df3 h ALA 73 CO -0.31 0.20 0.08 -0.07 0.00 0.00 0.00 179.25 179.15 3df3 h LEU 74 N 0.90 0.15 -0.94 0.00 3.38 -0.84 0.16 115.31 118.12 3df3 h LEU 74 Ca 0.39 -0.04 0.15 0.00 0.09 0.00 0.00 57.88 58.47 3df3 h LEU 74 Cb 0.27 -0.04 -0.09 0.00 0.09 0.00 0.00 40.66 40.89 3df3 h LEU 74 CO -0.21 0.15 0.55 0.40 0.09 0.00 0.00 178.44 179.42 3df3 h ILE 75 N 0.15 0.79 0.20 1.22 2.04 -0.79 -1.09 117.51 120.02 3df3 h ILE 75 Ca 0.05 -0.27 -0.28 0.00 1.00 0.00 0.00 64.86 65.35 3df3 h ILE 75 Cb 0.02 -0.07 0.03 0.00 -0.74 0.00 0.00 36.82 36.06 3df3 h ILE 75 CO -0.01 0.14 -1.22 0.11 0.00 0.00 0.00 178.15 177.18 3df3 h LYS 76 N 0.79 0.48 -0.13 2.37 1.79 -1.11 -3.26 116.57 117.50 3df3 h LYS 76 Ca 0.51 -0.78 0.04 0.00 -2.18 0.00 0.00 60.65 58.24 3df3 h LYS 76 Cb 0.66 0.28 -0.01 0.00 -1.58 0.00 0.00 32.23 31.59 3df3 h LYS 76 CO -0.33 1.37 0.13 0.93 -1.08 0.00 0.00 179.45 180.46 3df3 h GLU 77 N -0.01 0.00 -5.32 3.15 5.08 -0.12 -3.39 114.58 113.98 3df3 h GLU 77 Ca -0.21 0.00 -0.60 0.00 -1.00 0.00 0.00 59.36 57.55 3df3 h GLU 77 Cb 1.95 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 31.08 3df3 h GLU 77 CO 0.23 0.00 -0.42 0.54 -1.00 0.00 0.00 179.01 178.36 3df3 s VAL 78 N -4.75 5.36 1.27 3.13 0.11 -0.46 -5.08 120.40 119.98 3df3 s VAL 78 Ca -0.05 0.33 -0.17 0.00 -2.93 0.00 0.00 61.98 59.17 3df3 s VAL 78 Cb 0.16 -3.54 0.32 0.00 -1.53 0.00 0.00 36.38 31.79 3df3 s VAL 78 CO 0.59 0.40 0.99 0.20 -3.33 0.00 0.00 175.10 173.94 3df3 s ASN 79 N 0.56 0.14 0.00 3.54 0.01 -1.26 -4.86 114.94 113.06 3df3 s ASN 79 Ca 0.11 1.23 0.00 0.00 -0.71 0.00 0.00 52.86 53.49 3df3 s ASN 79 Cb -0.12 -1.86 0.00 0.00 0.41 0.00 0.00 41.25 39.68 3df3 s ASN 79 CO 0.01 -4.68 0.00 0.29 -1.51 0.00 0.00 177.10 171.22