#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3df4 s LYS 2 N 0.00 4.37 0.53 0.54 1.02 -1.26 -4.97 119.74 119.98 3df4 s LYS 2 Ca 0.00 2.05 -0.22 0.00 0.02 0.00 0.00 55.97 57.82 3df4 s LYS 2 Cb 0.00 -3.21 -0.06 0.00 -0.52 0.00 0.00 37.83 34.05 3df4 s LYS 2 CO 0.00 -0.29 1.33 -0.89 -0.92 0.00 0.00 175.35 174.58 3df4 n ILE 3 N 2.91 3.65 -3.59 2.17 5.41 -1.26 -4.99 119.36 123.66 3df4 n ILE 3 Ca 0.07 -0.50 -0.37 0.00 1.00 0.00 0.00 62.75 62.95 3df4 n ILE 3 Cb 0.43 -1.64 -0.09 0.00 -0.71 0.00 0.00 39.64 37.63 3df4 n ILE 3 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 176.55 176.01 3df4 s LYS 4 N -2.79 4.08 -0.07 0.38 1.02 -1.26 -4.99 119.74 116.10 3df4 s LYS 4 Ca 0.70 -0.16 -0.28 0.00 0.02 0.00 0.00 55.97 56.25 3df4 s LYS 4 Cb -0.43 -3.55 -0.02 0.00 -0.52 0.00 0.00 37.83 33.31 3df4 s LYS 4 CO 0.50 0.01 0.91 0.95 -0.92 0.00 0.00 175.35 176.80 3df4 s THR 5 N 1.19 4.88 -0.71 2.17 -4.23 -1.26 -4.90 115.64 112.78 3df4 s THR 5 Ca 0.10 1.86 -0.25 0.00 -1.18 0.00 0.00 61.69 62.23 3df4 s THR 5 Cb -0.14 -4.23 -0.14 0.00 1.34 0.00 0.00 72.50 69.33 3df4 s THR 5 CO 0.06 0.11 2.42 0.52 -0.54 0.00 0.00 174.62 177.19 3df4 n VAL 6 N 4.23 -0.04 -0.18 2.29 0.31 0.12 -4.79 118.33 120.27 3df4 n VAL 6 Ca 0.05 -0.58 -0.04 0.00 -0.01 0.00 0.00 64.34 63.76 3df4 n VAL 6 Cb 0.50 -2.00 0.02 0.00 -0.91 0.00 0.00 33.84 31.45 3df4 n VAL 6 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 3df4 h ARG 7 N 15.35 -0.13 -0.86 5.55 -0.00 -1.92 -0.83 114.38 131.54 3df4 h ARG 7 Ca -0.10 0.01 0.14 0.00 -0.50 0.00 0.00 59.98 59.53 3df4 h ARG 7 Cb 1.15 0.03 -0.09 0.00 0.00 0.00 0.00 29.97 31.06 3df4 h ARG 7 CO 1.16 -0.09 0.46 0.78 0.00 0.00 0.00 179.97 182.28 3df4 h GLY 8 N -0.14 1.41 2.00 0.04 0.00 -1.96 -0.64 103.07 103.77 3df4 h GLY 8 Ca 0.24 -0.27 -0.11 0.00 0.00 0.00 0.00 47.33 47.19 3df4 h GLY 8 CO -0.63 -0.02 -0.50 0.00 0.00 0.00 0.00 176.54 175.38 3df4 h ALA 9 N 1.56 1.16 0.00 3.60 0.00 -1.54 -2.73 119.26 121.31 3df4 h ALA 9 Ca 0.47 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3df4 h ALA 9 Cb 0.64 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.35 3df4 h ALA 9 CO -0.35 0.63 0.00 0.00 0.00 0.00 0.00 179.25 179.53 3df4 n ALA 10 N -2.44 2.17 -1.21 0.00 0.00 -0.27 -2.80 120.51 115.95 3df4 n ALA 10 Ca -0.01 -0.11 -0.06 0.00 0.00 0.00 0.00 53.44 53.26 3df4 n ALA 10 Cb 0.52 -1.36 0.24 0.00 0.00 0.00 0.00 19.45 18.84 3df4 n ALA 10 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3df4 n LYS 11 N -1.26 2.64 0.00 0.00 5.02 -1.03 -4.33 118.16 119.20 3df4 n LYS 11 Ca 0.11 -3.06 0.00 0.00 -2.02 0.00 0.00 58.31 53.34 3df4 n LYS 11 Cb 0.17 -2.00 0.00 0.00 -0.02 0.00 0.00 35.03 33.18 3df4 n LYS 11 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3df4 n ARG 12 N -0.75 0.34 -4.36 1.97 1.74 -1.12 -5.09 116.66 109.39 3df4 n ARG 12 Ca 0.38 0.00 -0.19 0.00 -0.77 0.00 0.00 57.85 57.27 3df4 n ARG 12 Cb 1.22 -0.03 -0.10 0.00 -1.02 0.00 0.00 32.46 32.53 3df4 n ARG 12 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 3df4 s PHE 13 N 0.00 1.77 -0.40 -1.55 0.08 -1.21 -4.33 117.98 112.35 3df4 s PHE 13 Ca 0.00 -0.56 0.07 0.00 0.12 0.00 0.00 56.93 56.56 3df4 s PHE 13 Cb 0.00 -0.83 0.18 0.00 -0.57 0.00 0.00 43.02 41.80 3df4 s PHE 13 CO 0.00 0.39 0.57 0.21 -0.10 0.00 0.00 175.22 176.29 3df4 s LYS 14 N -3.64 0.76 0.12 0.44 2.20 0.60 -4.90 119.74 115.32 3df4 s LYS 14 Ca 0.23 -0.36 -0.24 0.00 -0.36 0.00 0.00 55.97 55.25 3df4 s LYS 14 Cb -0.01 -0.09 -0.14 0.00 -1.51 0.00 0.00 37.83 36.09 3df4 s LYS 14 CO 0.08 -1.18 0.50 1.17 -0.36 0.00 0.00 175.35 175.55 3df4 n LYS 15 N 4.43 0.00 0.00 4.03 4.81 -1.24 -4.18 118.16 126.01 3df4 n LYS 15 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.55 3df4 n LYS 15 Cb 0.54 -0.85 0.00 0.00 0.02 0.00 0.00 35.03 34.74 3df4 n LYS 15 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 3df4 n THR 16 N 0.27 0.00 0.26 3.15 -2.24 0.12 -4.87 114.28 110.98 3df4 n THR 16 Ca 0.14 0.00 0.01 0.00 -2.27 0.00 0.00 64.05 61.93 3df4 n THR 16 Cb 0.16 -0.47 0.03 0.00 -2.10 0.00 0.00 70.33 67.95 3df4 n THR 16 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3df4 n GLY 17 N 5.00 -0.13 0.00 3.38 0.00 -1.26 -4.71 105.19 107.46 3df4 n GLY 17 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.01 3df4 n GLY 17 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3df4 n LYS 18 N -0.62 0.00 -0.28 1.61 2.85 -1.26 -5.05 118.16 115.41 3df4 n LYS 18 Ca 0.01 0.00 -0.09 0.00 -1.05 0.00 0.00 58.31 57.18 3df4 n LYS 18 Cb 0.00 0.00 -0.05 0.00 -0.65 0.00 0.00 35.03 34.34 3df4 n LYS 18 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 177.40 178.13 3df4 h GLY 19 N 0.00 -0.54 -3.45 2.58 0.00 -2.00 -3.43 103.07 96.22 3df4 h GLY 19 Ca 0.00 0.64 -0.57 0.00 0.00 0.00 0.00 47.33 47.39 3df4 h GLY 19 CO 0.00 -0.11 -1.51 0.61 0.00 0.00 0.00 176.54 175.52 3df4 n GLY 20 N -1.38 -3.95 0.00 4.60 0.00 -1.26 -4.56 105.19 98.64 3df4 n GLY 20 Ca 0.02 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.54 3df4 n GLY 20 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3df4 n PHE 21 N -2.04 0.00 -1.46 1.61 3.01 -1.26 0.15 117.46 117.46 3df4 n PHE 21 Ca 0.03 0.00 0.18 0.00 1.01 0.00 0.00 57.45 58.67 3df4 n PHE 21 Cb 0.52 0.00 -0.09 0.00 -0.01 0.00 0.00 39.48 39.90 3df4 n PHE 21 CO 0.00 0.00 0.00 1.17 1.01 0.00 0.00 176.76 178.94 3df4 n LYS 22 N -1.01 -3.28 -3.31 -1.08 4.81 -1.25 -0.29 118.16 112.74 3df4 n LYS 22 Ca 0.00 2.60 -0.01 0.00 -0.87 0.00 0.00 58.31 60.03 3df4 n LYS 22 Cb 0.00 -3.88 0.01 0.00 0.02 0.00 0.00 35.03 31.18 3df4 n LYS 22 CO 0.00 0.00 0.00 -2.39 1.17 0.00 0.00 177.40 176.18 3df4 n HIS 23 N -4.36 -0.83 -3.56 5.64 1.44 0.22 -3.44 115.22 110.34 3df4 n HIS 23 Ca -0.07 -0.78 -0.36 0.00 -2.01 0.00 0.00 57.72 54.50 3df4 n HIS 23 Cb 0.69 0.37 -0.06 0.00 0.12 0.00 0.00 29.99 31.12 3df4 n HIS 23 CO 0.00 0.00 0.00 0.21 -2.81 0.00 0.00 176.34 173.74 3df4 s LYS 24 N -2.03 3.81 0.48 -1.40 2.36 -1.26 -1.57 119.74 120.13 3df4 s LYS 24 Ca 0.19 0.27 -0.20 0.00 -2.55 0.00 0.00 55.97 53.68 3df4 s LYS 24 Cb -0.01 -3.11 -0.09 0.00 -1.05 0.00 0.00 37.83 33.56 3df4 s LYS 24 CO 0.02 0.64 1.00 -1.01 1.55 0.00 0.00 175.35 177.55 3df4 s HIS 25 N -1.23 3.15 0.07 4.03 3.76 -1.26 -4.95 115.29 118.87 3df4 s HIS 25 Ca 0.27 1.57 -0.01 0.00 -0.15 0.00 0.00 55.06 56.74 3df4 s HIS 25 Cb -0.15 -2.96 0.02 0.00 1.11 0.00 0.00 32.58 30.60 3df4 s HIS 25 CO 0.15 -0.56 0.09 0.00 -0.85 0.00 0.00 174.74 173.57 3df4 n ALA 26 N -1.01 -0.11 -3.69 -1.40 0.00 -1.26 -4.53 120.51 108.50 3df4 n ALA 26 Ca 0.08 -0.13 -0.26 0.00 0.00 0.00 0.00 53.44 53.14 3df4 n ALA 26 Cb 0.53 -0.01 0.01 0.00 0.00 0.00 0.00 19.45 19.98 3df4 n ALA 26 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3df4 n ASN 27 N -3.06 -3.48 -1.02 0.00 4.13 -1.26 -4.84 115.26 105.73 3df4 n ASN 27 Ca 0.01 -0.85 -0.06 0.00 1.68 0.00 0.00 54.58 55.35 3df4 n ASN 27 Cb 0.04 -1.22 -0.06 0.00 -1.54 0.00 0.00 39.78 37.00 3df4 n ASN 27 CO 0.00 0.00 0.00 -0.11 0.28 0.00 0.00 177.26 177.43 3df4 n LEU 28 N -2.89 -0.88 0.00 3.41 7.94 -1.26 -4.94 117.00 118.38 3df4 n LEU 28 Ca -0.19 -1.99 0.00 0.00 -1.11 0.00 0.00 56.01 52.72 3df4 n LEU 28 Cb 0.50 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.45 3df4 n LEU 28 CO 0.52 1.44 0.00 -2.11 -1.11 0.00 0.00 177.39 176.13 3df4 n ARG 29 N 0.03 1.62 -4.25 1.96 1.85 -1.26 -5.08 116.66 111.52 3df4 n ARG 29 Ca -0.26 0.00 -0.33 0.00 -1.00 0.00 0.00 57.85 56.26 3df4 n ARG 29 Cb 0.72 -0.17 -0.16 0.00 -1.05 0.00 0.00 32.46 31.80 3df4 n ARG 29 CO 0.00 0.00 0.00 -1.58 -0.01 0.00 0.00 177.63 176.04 3df4 s HIS 30 N -0.22 2.79 0.32 2.89 2.46 -1.26 -4.96 115.29 117.31 3df4 s HIS 30 Ca 0.00 -1.40 0.00 0.00 0.47 0.00 0.00 55.06 54.13 3df4 s HIS 30 Cb 0.00 -1.92 0.00 0.00 -0.13 0.00 0.00 32.58 30.53 3df4 s HIS 30 CO 0.00 -0.68 0.00 0.44 -2.47 0.00 0.00 174.74 172.03 3df4 n ILE 31 N 4.46 -8.04 0.00 0.89 -5.35 -1.26 -5.00 119.36 105.06 3df4 n ILE 31 Ca -0.20 2.84 0.00 0.00 -0.27 0.00 0.00 62.75 65.12 3df4 n ILE 31 Cb 0.51 -3.99 0.00 0.00 -1.74 0.00 0.00 39.64 34.41 3df4 n ILE 31 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 3df4 n LEU 32 N 1.00 0.00 -0.05 7.28 4.77 -1.26 -4.85 117.00 123.89 3df4 n LEU 32 Ca 0.00 0.00 0.21 0.00 -0.03 0.00 0.00 56.01 56.19 3df4 n LEU 32 Cb 0.00 0.00 0.67 0.00 -2.33 0.00 0.00 43.42 41.76 3df4 n LEU 32 CO 0.00 0.00 1.20 0.00 -1.33 0.00 0.00 177.39 177.26 3df4 h THR 33 N 0.00 0.71 -0.33 -5.08 1.03 -2.01 0.40 112.91 107.62 3df4 h THR 33 Ca 0.00 -0.02 0.00 0.00 -0.01 0.00 0.00 66.41 66.38 3df4 h THR 33 Cb 0.00 0.65 0.00 0.00 -1.07 0.00 0.00 68.15 67.73 3df4 h THR 33 CO 0.00 0.01 0.00 2.29 -0.01 0.00 0.00 175.52 177.81 3df4 n LYS 34 N -4.37 2.08 -4.27 0.00 2.85 -1.26 -4.89 118.16 108.29 3df4 n LYS 34 Ca 0.12 -1.64 -0.35 0.00 -1.05 0.00 0.00 58.31 55.38 3df4 n LYS 34 Cb 0.66 -1.42 -0.09 0.00 -0.65 0.00 0.00 35.03 33.53 3df4 n LYS 34 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 177.40 177.50 3df4 s LYS 35 N -1.57 3.08 0.14 -1.58 1.02 0.14 -5.06 119.74 115.91 3df4 s LYS 35 Ca 0.34 -0.35 -0.33 0.00 0.02 0.00 0.00 55.97 55.65 3df4 s LYS 35 Cb 0.19 -2.88 -0.12 0.00 -0.52 0.00 0.00 37.83 34.50 3df4 s LYS 35 CO 0.26 0.72 1.71 0.00 -0.92 0.00 0.00 175.35 177.12 3df4 n ALA 36 N 2.12 1.91 -0.27 5.17 0.00 -1.26 -4.87 120.51 123.30 3df4 n ALA 36 Ca -0.19 0.39 0.04 0.00 0.00 0.00 0.00 53.44 53.68 3df4 n ALA 36 Cb 0.54 -2.47 0.18 0.00 0.00 0.00 0.00 19.45 17.70 3df4 n ALA 36 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 3df4 h THR 37 N 4.11 0.81 0.14 0.00 1.35 -1.96 -1.52 112.91 115.82 3df4 h THR 37 Ca -0.45 -0.22 -0.00 0.00 -0.55 0.00 0.00 66.41 65.19 3df4 h THR 37 Cb 1.23 0.11 -0.00 0.00 -1.73 0.00 0.00 68.15 67.76 3df4 h THR 37 CO 0.93 0.12 -0.09 0.50 -0.25 0.00 0.00 175.52 176.72 3df4 h LYS 38 N 0.64 -0.22 -0.58 4.72 3.64 -1.97 0.33 116.57 123.14 3df4 h LYS 38 Ca 0.41 0.02 0.11 0.00 -1.27 0.00 0.00 60.65 59.91 3df4 h LYS 38 Cb 0.48 0.05 -0.11 0.00 -0.41 0.00 0.00 32.23 32.24 3df4 h LYS 38 CO -0.31 -0.15 -0.27 -0.09 -2.27 0.00 0.00 179.45 176.36 3df4 h ARG 39 N -0.23 -0.12 -0.27 1.90 2.43 -1.67 -0.46 114.38 115.96 3df4 h ARG 39 Ca -0.01 0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 59.10 3df4 h ARG 39 Cb 0.20 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.77 3df4 h ARG 39 CO 0.00 -0.08 -0.09 0.87 -1.51 0.00 0.00 179.97 179.16 3df4 h LYS 40 N -0.12 0.55 0.00 0.20 1.57 -1.20 -2.48 116.57 115.09 3df4 h LYS 40 Ca 0.25 -0.22 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 3df4 h LYS 40 Cb 0.53 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.81 3df4 h LYS 40 CO -0.65 0.77 0.33 -0.09 -0.57 0.00 0.00 179.45 179.24 3df4 h ARG 41 N 0.29 0.00 0.00 3.15 2.43 0.10 0.84 114.38 121.20 3df4 h ARG 41 Ca 0.07 0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 59.15 3df4 h ARG 41 Cb 0.59 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.12 3df4 h ARG 41 CO 0.03 0.00 -1.86 0.72 -1.51 0.00 0.00 179.97 177.35 3df4 n HIS 42 N -2.69 0.26 1.35 2.20 8.25 -0.32 -4.15 115.22 120.11 3df4 n HIS 42 Ca -0.02 0.08 0.13 0.00 -0.26 0.00 0.00 57.72 57.66 3df4 n HIS 42 Cb 0.37 -0.73 0.46 0.00 1.12 0.00 0.00 29.99 31.22 3df4 n HIS 42 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3df4 n LEU 43 N -2.48 1.02 -0.04 2.41 4.77 0.28 -4.13 117.00 118.83 3df4 n LEU 43 Ca -0.09 -0.27 -0.14 0.00 -0.03 0.00 0.00 56.01 55.48 3df4 n LEU 43 Cb 0.71 -0.10 -0.08 0.00 -2.33 0.00 0.00 43.42 41.61 3df4 n LEU 43 CO 0.44 0.18 0.50 -0.09 -1.33 0.00 0.00 177.39 177.10 3df4 h ARG 44 N 1.35 0.36 -7.29 3.23 2.43 -1.33 -3.35 114.38 109.78 3df4 h ARG 44 Ca 0.00 -0.25 -0.49 0.00 -0.81 0.00 0.00 59.98 58.43 3df4 h ARG 44 Cb 0.47 0.04 0.16 0.00 -0.42 0.00 0.00 29.97 30.22 3df4 h ARG 44 CO 0.00 0.86 0.23 -1.25 -1.51 0.00 0.00 179.97 178.29 3df4 s PRO 45 N -3.92 1.13 0.21 0.20 0.04 -1.26 -4.85 135.00 126.56 3df4 s PRO 45 Ca -0.14 1.09 -0.20 0.00 0.04 0.00 0.00 61.00 61.78 3df4 s PRO 45 Cb 0.04 -1.77 -0.08 0.00 0.04 0.00 0.00 34.50 32.73 3df4 s PRO 45 CO 0.77 -2.41 0.73 0.15 0.04 0.00 0.00 177.00 176.28 3df4 s LYS 46 N -4.79 4.30 0.34 4.56 -0.14 -1.26 -4.48 119.74 118.27 3df4 s LYS 46 Ca 0.64 0.91 0.09 0.00 -1.36 0.00 0.00 55.97 56.26 3df4 s LYS 46 Cb -0.20 -2.93 -0.07 0.00 -1.68 0.00 0.00 37.83 32.95 3df4 s LYS 46 CO 0.58 0.42 -0.09 0.00 -0.76 0.00 0.00 175.35 175.50 3df4 s ALA 47 N -1.47 2.95 0.50 5.17 0.00 -0.61 -4.86 121.76 123.45 3df4 s ALA 47 Ca 0.42 -2.09 -0.01 0.00 0.00 0.00 0.00 51.96 50.28 3df4 s ALA 47 Cb -0.18 -0.03 0.01 0.00 0.00 0.00 0.00 23.12 22.92 3df4 s ALA 47 CO 0.22 0.07 0.74 -1.64 0.00 0.00 0.00 175.76 175.15 3df4 s MET 48 N -3.62 2.90 0.17 0.00 -1.94 -1.26 0.72 119.30 116.28 3df4 s MET 48 Ca 0.32 -0.46 -0.30 0.00 -1.71 0.00 0.00 55.69 53.55 3df4 s MET 48 Cb 0.03 -2.48 -0.08 0.00 2.01 0.00 0.00 34.83 34.31 3df4 s MET 48 CO 0.16 -0.47 1.15 0.08 -0.01 0.00 0.00 175.02 175.93 3df4 s VAL 49 N -2.70 3.75 -1.93 -6.03 1.01 -1.26 -4.84 120.40 108.41 3df4 s VAL 49 Ca 0.52 1.48 0.00 0.00 0.00 0.00 0.00 61.98 63.98 3df4 s VAL 49 Cb -0.10 -3.95 0.00 0.00 0.00 0.00 0.00 36.38 32.33 3df4 s VAL 49 CO 0.39 0.24 0.21 -1.54 0.00 0.00 0.00 175.10 174.41 3df4 n SER 50 N 2.50 0.00 0.00 3.32 3.41 -1.26 -4.80 113.62 116.79 3df4 n SER 50 Ca 0.04 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.65 3df4 n SER 50 Cb 0.46 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.41 3df4 n SER 50 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 3df4 n LYS 51 N -0.70 0.00 0.08 4.33 3.00 -1.26 -4.34 118.16 119.26 3df4 n LYS 51 Ca 0.00 0.00 0.15 0.00 -0.00 0.00 0.00 58.31 58.46 3df4 n LYS 51 Cb 0.00 0.00 0.66 0.00 0.00 0.00 0.00 35.03 35.69 3df4 n LYS 51 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.40 178.18 3df4 h GLY 52 N 0.00 0.05 -0.45 3.14 0.00 -2.03 -0.09 103.07 103.69 3df4 h GLY 52 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.31 3df4 h GLY 52 CO 0.00 0.01 -0.43 1.22 0.00 0.00 0.00 176.54 177.34 3df4 n ASP 53 N -4.44 1.24 -0.22 0.19 8.00 -1.26 -4.55 116.55 115.50 3df4 n ASP 53 Ca 0.06 -1.12 -0.01 0.00 0.71 0.00 0.00 54.79 54.42 3df4 n ASP 53 Cb 0.42 0.65 0.06 0.00 -0.02 0.00 0.00 41.12 42.22 3df4 n ASP 53 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 3df4 h LEU 54 N 1.09 -0.74 -0.86 0.64 5.85 -1.31 -1.71 115.31 118.27 3df4 h LEU 54 Ca 0.00 0.21 0.09 0.00 0.84 0.00 0.00 57.88 59.02 3df4 h LEU 54 Cb 0.44 0.45 -0.11 0.00 0.37 0.00 0.00 40.66 41.81 3df4 h LEU 54 CO 0.00 -0.24 -0.46 0.61 -0.34 0.00 0.00 178.44 178.01 3df4 n GLY 55 N -1.45 -2.12 0.19 3.75 0.00 -1.25 0.28 105.19 104.59 3df4 n GLY 55 Ca 0.07 1.01 -0.03 0.00 0.00 0.00 0.00 46.02 47.08 3df4 n GLY 55 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3df4 h LEU 56 N 0.00 -0.34 0.14 0.99 4.07 -1.65 -1.90 115.31 116.63 3df4 h LEU 56 Ca 0.18 0.13 0.02 0.00 0.08 0.00 0.00 57.88 58.29 3df4 h LEU 56 Cb 0.40 0.25 -0.03 0.00 1.08 0.00 0.00 40.66 42.36 3df4 h LEU 56 CO -0.82 -0.12 -0.29 0.58 -1.08 0.00 0.00 178.44 176.70 3df4 h VAL 57 N 0.05 0.37 0.00 1.22 2.07 -0.09 -2.64 116.25 117.23 3df4 h VAL 57 Ca 0.23 0.00 -0.24 0.00 0.82 0.00 0.00 66.70 67.52 3df4 h VAL 57 Cb 0.36 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 30.49 3df4 h VAL 57 CO -0.45 0.00 1.27 -0.38 0.02 0.00 0.00 177.57 178.03 3df4 n ILE 58 N -5.40 2.03 0.00 4.57 5.41 0.32 -1.86 119.36 124.44 3df4 n ILE 58 Ca -0.07 -1.13 0.00 0.00 1.00 0.00 0.00 62.75 62.55 3df4 n ILE 58 Cb 0.31 -1.95 0.00 0.00 -0.71 0.00 0.00 39.64 37.29 3df4 n ILE 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3df4 n ALA 59 N 3.45 0.00 1.03 -1.39 0.00 -1.02 -4.88 120.51 117.70 3df4 n ALA 59 Ca 0.34 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.91 3df4 n ALA 59 Cb 0.33 0.00 0.48 0.00 0.00 0.00 0.00 19.45 20.26 3df4 n ALA 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3df4 n LEU 61 N -1.46 2.34 -0.30 0.00 4.77 -1.18 0.15 117.00 121.33 3df4 n LEU 61 Ca 0.07 -5.23 0.19 0.00 -0.03 0.00 0.00 56.01 51.01 3df4 n LEU 61 Cb 0.33 0.19 0.47 0.00 -2.33 0.00 0.00 43.42 42.09 3df4 n LEU 61 CO 0.30 2.29 1.22 -0.65 -1.33 0.00 0.00 177.39 179.22 3df4 h PRO 62 N 2.98 0.46 -0.91 3.23 0.11 -1.88 0.49 132.00 136.48 3df4 h PRO 62 Ca 0.11 -0.03 -0.24 0.00 0.11 0.00 0.00 66.00 65.95 3df4 h PRO 62 Cb 0.80 -0.10 -0.14 0.00 0.11 0.00 0.00 31.00 31.66 3df4 h PRO 62 CO 0.63 0.30 0.31 0.66 -0.21 0.00 0.00 178.00 179.69 3df4 n TYR 63 N -4.60 1.86 1.15 0.65 4.01 -1.26 -5.06 117.16 113.91 3df4 n TYR 63 Ca 0.22 -1.12 0.09 0.00 -0.16 0.00 0.00 57.90 56.94 3df4 n TYR 63 Cb 0.75 -0.61 0.55 0.00 -0.31 0.00 0.00 39.34 39.71 3df4 n TYR 63 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40