#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3df4 n ARG 2 N 0.00 -1.25 -1.69 3.17 0.00 -1.26 -4.89 116.66 110.74 3df4 n ARG 2 Ca 0.00 0.31 -0.64 0.00 -0.00 0.00 0.00 57.85 57.52 3df4 n ARG 2 Cb 0.00 -4.44 -0.09 0.00 0.00 0.00 0.00 32.46 27.93 3df4 n ARG 2 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.63 178.35 3df4 n HIS 3 N -2.19 1.58 -0.99 -0.14 8.25 -1.26 0.30 115.22 120.77 3df4 n HIS 3 Ca 0.00 1.01 0.00 0.00 -0.26 0.00 0.00 57.72 58.47 3df4 n HIS 3 Cb 0.31 -2.24 0.00 0.00 1.12 0.00 0.00 29.99 29.18 3df4 n HIS 3 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 3df4 n ARG 4 N 3.67 -1.16 -3.08 -0.41 5.12 -1.26 -4.98 116.66 114.57 3df4 n ARG 4 Ca 0.28 0.29 -0.41 0.00 -1.93 0.00 0.00 57.85 56.08 3df4 n ARG 4 Cb 0.01 -4.18 -0.06 0.00 -1.16 0.00 0.00 32.46 27.07 3df4 n ARG 4 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 3df4 s LYS 5 N -1.18 4.15 0.02 5.56 1.02 0.15 -5.06 119.74 124.41 3df4 s LYS 5 Ca 0.00 0.63 -0.00 0.00 0.02 0.00 0.00 55.97 56.62 3df4 s LYS 5 Cb 0.00 -3.63 0.01 0.00 -0.52 0.00 0.00 37.83 33.69 3df4 s LYS 5 CO 0.00 -0.37 0.03 0.45 -0.92 0.00 0.00 175.35 174.54 3df4 n SER 6 N 5.54 0.01 0.00 2.83 2.88 -1.26 -4.98 113.62 118.64 3df4 n SER 6 Ca 0.00 -1.02 0.00 0.00 -1.33 0.00 0.00 58.87 56.53 3df4 n SER 6 Cb 0.49 -0.02 0.00 0.00 -0.75 0.00 0.00 64.21 63.92 3df4 n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3df4 n GLY 7 N 4.78 -1.78 3.20 0.46 0.00 -1.26 -5.01 105.19 105.58 3df4 n GLY 7 Ca 0.00 -1.64 0.04 0.00 0.00 0.00 0.00 46.02 44.43 3df4 n GLY 7 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3df4 s ARG 8 N 0.00 0.01 0.00 1.61 3.52 -1.26 -5.03 118.95 117.80 3df4 s ARG 8 Ca 0.00 0.03 0.27 0.00 -0.13 0.00 0.00 55.73 55.90 3df4 s ARG 8 Cb 0.00 0.02 0.91 0.00 -1.56 0.00 0.00 34.95 34.32 3df4 s ARG 8 CO 0.00 -0.00 1.68 0.00 -0.81 0.00 0.00 175.30 176.17 3df4 n GLN 9 N 4.41 0.26 0.00 5.12 10.64 -1.26 -4.93 117.38 131.62 3df4 n GLN 9 Ca -0.07 -0.11 0.00 0.00 -1.83 0.00 0.00 57.00 54.99 3df4 n GLN 9 Cb 0.56 -1.50 0.00 0.00 -0.86 0.00 0.00 30.24 28.44 3df4 n GLN 9 CO 0.00 0.00 0.00 1.28 -1.83 0.00 0.00 177.06 176.51 3df4 n LEU 10 N -1.27 0.00 0.00 2.61 7.99 -1.26 -2.57 117.00 122.50 3df4 n LEU 10 Ca 0.09 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.09 3df4 n LEU 10 Cb 0.32 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.63 3df4 n LEU 10 CO 0.29 0.00 0.00 0.59 -1.51 0.00 0.00 177.39 176.76 3df4 n ASN 11 N 0.30 0.00 0.00 -1.43 5.03 -1.26 -5.18 115.26 112.72 3df4 n ASN 11 Ca 0.00 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.45 3df4 n ASN 11 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 38.76 3df4 n ASN 11 CO 0.00 0.00 0.00 -1.14 -1.83 0.00 0.00 177.26 174.29 3df4 n ARG 12 N 0.00 -0.84 -1.74 3.52 3.00 -1.06 -5.12 116.66 114.41 3df4 n ARG 12 Ca 0.00 0.00 -0.37 0.00 -0.00 0.00 0.00 57.85 57.48 3df4 n ARG 12 Cb 0.00 0.00 0.07 0.00 0.00 0.00 0.00 32.46 32.53 3df4 n ARG 12 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 3df4 s ASN 13 N 0.00 4.68 0.44 6.15 2.20 -1.26 -4.81 114.94 122.34 3df4 s ASN 13 Ca 0.00 2.66 0.29 0.00 -0.94 0.00 0.00 52.86 54.88 3df4 s ASN 13 Cb 0.00 -2.62 1.58 0.00 -2.00 0.00 0.00 41.25 38.20 3df4 s ASN 13 CO 0.00 -1.96 1.90 -1.28 -2.94 0.00 0.00 177.10 172.83 3df4 h SER 14 N 0.68 0.00 0.81 3.54 0.87 -2.00 0.43 113.55 117.89 3df4 h SER 14 Ca -0.51 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.05 3df4 h SER 14 Cb 1.33 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.29 3df4 h SER 14 CO 0.54 0.00 -0.05 -1.54 -0.53 0.00 0.00 176.83 175.25 3df4 n SER 15 N -2.54 0.07 -0.04 6.23 3.41 -1.26 -2.39 113.62 117.09 3df4 n SER 15 Ca -0.02 0.21 -0.03 0.00 -0.26 0.00 0.00 58.87 58.77 3df4 n SER 15 Cb 0.06 -0.36 -0.01 0.00 -0.26 0.00 0.00 64.21 63.65 3df4 n SER 15 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 3df4 n HIS 16 N -1.41 0.40 0.01 7.33 -0.00 0.15 -4.23 115.22 117.46 3df4 n HIS 16 Ca 0.09 0.17 0.23 0.00 0.46 0.00 0.00 57.72 58.67 3df4 n HIS 16 Cb 0.31 -0.48 0.71 0.00 -0.12 0.00 0.00 29.99 30.41 3df4 n HIS 16 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 3df4 h ARG 17 N -0.56 0.00 0.00 1.57 3.08 -1.64 2.88 114.38 119.71 3df4 h ARG 17 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3df4 h ARG 17 Cb 0.35 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.40 3df4 h ARG 17 CO 0.00 0.00 0.00 1.04 -1.07 0.00 0.00 179.97 179.94 3df4 n GLN 18 N -3.76 0.52 0.00 0.04 6.02 -1.01 -2.69 117.38 116.50 3df4 n GLN 18 Ca 0.11 0.02 0.00 0.00 -0.01 0.00 0.00 57.00 57.12 3df4 n GLN 18 Cb 0.79 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.55 3df4 n GLN 18 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3df4 n ALA 19 N -1.04 2.08 -0.42 -1.58 0.00 0.64 -4.30 120.51 115.89 3df4 n ALA 19 Ca 0.13 0.00 0.40 0.00 0.00 0.00 0.00 53.44 53.96 3df4 n ALA 19 Cb 0.07 0.05 0.76 0.00 0.00 0.00 0.00 19.45 20.33 3df4 n ALA 19 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.50 179.48 3df4 h MET 20 N 0.00 0.01 0.00 0.00 1.85 0.41 0.17 114.93 117.38 3df4 h MET 20 Ca 0.00 -0.00 -0.26 0.00 -0.61 0.00 0.00 59.70 58.82 3df4 h MET 20 Cb 0.10 -0.00 -0.05 0.00 0.43 0.00 0.00 31.60 32.07 3df4 h MET 20 CO 0.00 0.01 -2.00 1.19 -0.40 0.00 0.00 176.91 175.71 3df4 n PHE 21 N -4.15 0.00 -0.02 1.39 0.99 -1.10 -3.64 117.46 110.94 3df4 n PHE 21 Ca 0.31 0.00 0.24 0.00 -0.00 0.00 0.00 57.45 57.99 3df4 n PHE 21 Cb 1.44 -0.71 0.70 0.00 -1.00 0.00 0.00 39.48 39.91 3df4 n PHE 21 CO 0.00 0.00 0.00 -0.09 -0.00 0.00 0.00 176.76 176.67 3df4 h ARG 22 N 0.00 0.00 0.05 -1.08 2.43 -0.90 0.25 114.38 115.13 3df4 h ARG 22 Ca -0.39 0.00 -0.38 0.00 -0.81 0.00 0.00 59.98 58.40 3df4 h ARG 22 Cb 1.83 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 31.33 3df4 h ARG 22 CO 0.00 0.00 -2.28 0.09 -1.51 0.00 0.00 179.97 176.27 3df4 n ASN 23 N -3.75 2.04 -0.25 -3.80 3.02 -0.49 -3.39 115.26 108.65 3df4 n ASN 23 Ca 0.12 0.00 -0.05 0.00 -0.03 0.00 0.00 54.58 54.63 3df4 n ASN 23 Cb 0.84 -0.60 0.01 0.00 -0.61 0.00 0.00 39.78 39.42 3df4 n ASN 23 CO 0.00 0.00 0.00 -0.03 -2.62 0.00 0.00 177.26 174.61 3df4 h MET 24 N 0.03 -0.12 -0.22 3.52 4.05 -0.64 0.63 114.93 122.17 3df4 h MET 24 Ca -0.52 0.01 -0.17 0.00 -0.28 0.00 0.00 59.70 58.75 3df4 h MET 24 Cb 1.95 0.03 0.00 0.00 -0.80 0.00 0.00 31.60 32.79 3df4 h MET 24 CO -0.02 -0.08 -0.50 0.00 0.23 0.00 0.00 176.91 176.53 3df4 h ALA 25 N 1.03 0.36 -0.67 0.39 0.00 -1.38 -2.85 119.26 116.14 3df4 h ALA 25 Ca 0.25 -0.50 0.20 0.00 0.00 0.00 0.00 54.91 54.86 3df4 h ALA 25 Cb 0.56 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 3df4 h ALA 25 CO -0.76 0.55 0.67 0.78 0.00 0.00 0.00 179.25 180.48 3df4 h GLY 26 N 0.46 0.00 1.06 0.00 0.00 -0.99 0.60 103.07 104.20 3df4 h GLY 26 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 47.33 47.03 3df4 h GLY 26 CO 0.11 0.00 -1.66 1.76 0.00 0.00 0.00 176.54 176.75 3df4 h SER 27 N 0.00 0.19 0.32 0.19 0.02 -0.82 -3.32 113.55 110.13 3df4 h SER 27 Ca 0.32 -0.35 -0.00 0.00 -0.84 0.00 0.00 61.79 60.92 3df4 h SER 27 Cb 1.66 -0.06 -0.03 0.00 0.14 0.00 0.00 62.40 64.10 3df4 h SER 27 CO -0.00 1.31 -0.48 0.25 -1.14 0.00 0.00 176.83 176.76 3df4 h LEU 28 N 0.03 -1.38 -1.59 5.07 6.46 0.42 0.21 115.31 124.54 3df4 h LEU 28 Ca -0.28 0.13 0.00 0.00 -0.12 0.00 0.00 57.88 57.61 3df4 h LEU 28 Cb 2.00 0.48 0.00 0.00 -0.73 0.00 0.00 40.66 42.41 3df4 h LEU 28 CO 0.11 -0.58 0.17 -0.37 -0.62 0.00 0.00 178.44 177.15 3df4 h VAL 29 N -0.84 0.00 0.00 1.05 -1.51 -1.63 2.65 116.25 115.98 3df4 h VAL 29 Ca -0.04 0.00 -0.21 0.00 -1.23 0.00 0.00 66.70 65.22 3df4 h VAL 29 Cb 0.77 0.53 -0.03 0.00 -2.13 0.00 0.00 31.29 30.43 3df4 h VAL 29 CO -0.15 0.00 -1.30 0.03 -1.23 0.00 0.00 177.57 174.92 3df4 h ARG 30 N 0.00 0.00 0.00 5.19 3.08 -0.77 -3.41 114.38 118.47 3df4 h ARG 30 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3df4 h ARG 30 Cb 0.34 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.39 3df4 h ARG 30 CO 0.00 0.52 0.00 0.72 -1.07 0.00 0.00 179.97 180.14 3df4 n HIS 31 N -3.08 0.00 0.00 3.04 8.25 0.20 -5.01 115.22 118.63 3df4 n HIS 31 Ca -0.09 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.37 3df4 n HIS 31 Cb 0.92 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.03 3df4 n HIS 31 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 3df4 n GLU 32 N -0.23 0.00 -4.02 -0.41 4.71 0.87 -4.87 120.64 116.68 3df4 n GLU 32 Ca 0.00 0.00 -0.12 0.00 -0.01 0.00 0.00 57.16 57.03 3df4 n GLU 32 Cb 0.04 -2.64 -0.12 0.00 -1.01 0.00 0.00 31.44 27.71 3df4 n GLU 32 CO 0.00 0.00 0.00 0.96 0.09 0.00 0.00 177.13 178.18 3df4 s ILE 33 N -0.64 0.28 -0.05 -3.67 -5.25 -1.26 0.48 121.20 111.10 3df4 s ILE 33 Ca 0.00 -0.62 -0.14 0.00 -0.99 0.00 0.00 60.65 58.89 3df4 s ILE 33 Cb 0.00 -0.33 0.03 0.00 2.95 0.00 0.00 42.46 45.11 3df4 s ILE 33 CO 0.00 -0.23 0.33 -0.63 -1.79 0.00 0.00 174.94 172.62 3df4 s ILE 34 N -0.85 0.04 -0.77 8.37 1.01 0.23 -4.89 121.20 124.35 3df4 s ILE 34 Ca -0.07 -0.34 0.01 0.00 0.00 0.00 0.00 60.65 60.25 3df4 s ILE 34 Cb -0.06 -0.59 0.19 0.00 0.01 0.00 0.00 42.46 42.01 3df4 s ILE 34 CO -0.00 -0.19 0.60 -1.59 0.00 0.00 0.00 174.94 173.76 3df4 s LYS 35 N -0.92 2.79 0.00 2.79 0.00 -1.26 -0.50 119.74 122.64 3df4 s LYS 35 Ca -0.10 -3.19 0.00 0.00 0.00 0.00 0.00 55.97 52.68 3df4 s LYS 35 Cb -0.04 -3.68 0.00 0.00 0.00 0.00 0.00 37.83 34.11 3df4 s LYS 35 CO 0.03 -1.25 0.00 -2.37 0.00 0.00 0.00 175.35 171.76 3df4 n THR 36 N 2.34 0.00 -2.49 3.79 5.66 -1.26 -4.76 114.28 117.56 3df4 n THR 36 Ca 0.18 0.00 -0.40 0.00 -3.05 0.00 0.00 64.05 60.78 3df4 n THR 36 Cb 0.36 -0.40 -0.04 0.00 -1.55 0.00 0.00 70.33 68.69 3df4 n THR 36 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 3df4 s THR 37 N 0.18 3.54 0.15 1.09 2.01 -1.26 0.93 115.64 122.28 3df4 s THR 37 Ca 0.00 1.52 -0.29 0.00 0.31 0.00 0.00 61.69 63.23 3df4 s THR 37 Cb 0.00 -3.97 -0.03 0.00 0.01 0.00 0.00 72.50 68.50 3df4 s THR 37 CO 0.00 0.35 1.56 0.25 -0.69 0.00 0.00 174.62 176.09 3df4 h LEU 38 N 4.00 -1.74 -0.96 4.42 5.85 -1.33 0.15 115.31 125.68 3df4 h LEU 38 Ca -0.46 0.26 0.07 0.00 0.84 0.00 0.00 57.88 58.58 3df4 h LEU 38 Cb 1.21 0.76 -0.07 0.00 0.37 0.00 0.00 40.66 42.93 3df4 h LEU 38 CO 0.68 -0.35 0.61 -0.65 -0.34 0.00 0.00 178.44 178.39 3df4 h PRO 39 N -0.27 1.07 0.00 5.25 0.11 -1.93 0.76 132.00 137.01 3df4 h PRO 39 Ca 0.14 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 66.18 3df4 h PRO 39 Cb 0.56 -0.24 0.00 0.00 0.11 0.00 0.00 31.00 31.43 3df4 h PRO 39 CO -0.69 0.71 0.00 0.87 -0.21 0.00 0.00 178.00 178.68 3df4 h LYS 40 N 1.11 0.00 0.00 1.05 1.57 -1.41 -2.53 116.57 116.36 3df4 h LYS 40 Ca 0.42 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 59.01 3df4 h LYS 40 Cb 0.19 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.47 3df4 h LYS 40 CO -0.18 0.00 -1.25 0.00 -0.57 0.00 0.00 179.45 177.45 3df4 n ALA 41 N -1.83 0.77 0.07 3.86 0.00 0.15 -2.60 120.51 120.92 3df4 n ALA 41 Ca -0.00 -0.59 0.21 0.00 0.00 0.00 0.00 53.44 53.06 3df4 n ALA 41 Cb 0.13 -0.27 0.72 0.00 0.00 0.00 0.00 19.45 20.03 3df4 n ALA 41 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3df4 h LYS 42 N -1.00 0.00 0.00 0.00 1.57 -1.12 0.25 116.57 116.27 3df4 h LYS 42 Ca -0.29 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.48 3df4 h LYS 42 Cb 1.13 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.44 3df4 h LYS 42 CO -0.18 0.00 -0.12 0.93 -0.57 0.00 0.00 179.45 179.52 3df4 h GLU 43 N 0.00 0.00 -1.51 3.15 4.39 -1.61 -3.32 114.58 115.69 3df4 h GLU 43 Ca 0.22 0.00 0.46 0.00 0.34 0.00 0.00 59.36 60.37 3df4 h GLU 43 Cb 1.26 0.00 -0.09 0.00 -0.10 0.00 0.00 28.75 29.81 3df4 h GLU 43 CO -0.00 0.08 1.04 1.25 -1.16 0.00 0.00 179.01 180.22 3df4 h LEU 44 N -1.00 0.12 -0.29 1.33 5.85 -0.82 -0.88 115.31 119.63 3df4 h LEU 44 Ca -0.01 0.06 0.03 0.00 0.84 0.00 0.00 57.88 58.81 3df4 h LEU 44 Cb 0.18 0.05 -0.05 0.00 0.37 0.00 0.00 40.66 41.21 3df4 h LEU 44 CO -0.00 -0.07 -0.36 -0.09 -0.34 0.00 0.00 178.44 177.58 3df4 h ARG 45 N 0.06 -0.23 -2.22 1.25 2.43 -0.68 -0.83 114.38 114.16 3df4 h ARG 45 Ca 0.80 0.02 -0.35 0.00 -0.81 0.00 0.00 59.98 59.63 3df4 h ARG 45 Cb 2.87 0.05 -0.07 0.00 -0.42 0.00 0.00 29.97 32.40 3df4 h ARG 45 CO -0.18 -0.15 0.67 2.89 -1.51 0.00 0.00 179.97 181.68 3df4 n ARG 46 N -4.41 2.51 0.00 0.20 1.85 -0.33 -2.90 116.66 113.58 3df4 n ARG 46 Ca -0.02 -1.55 0.00 0.00 -1.00 0.00 0.00 57.85 55.28 3df4 n ARG 46 Cb 0.21 -2.20 0.00 0.00 -1.05 0.00 0.00 32.46 29.42 3df4 n ARG 46 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 177.63 177.90 3df4 n VAL 47 N 2.43 0.00 -0.04 8.89 0.31 -0.35 -4.84 118.33 124.72 3df4 n VAL 47 Ca 0.52 0.00 -0.03 0.00 -0.01 0.00 0.00 64.34 64.81 3df4 n VAL 47 Cb 0.70 0.00 -0.01 0.00 -0.91 0.00 0.00 33.84 33.62 3df4 n VAL 47 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 3df4 n VAL 48 N -1.09 0.79 -0.32 2.52 0.31 -1.01 -3.91 118.33 115.62 3df4 n VAL 48 Ca 0.00 0.33 0.14 0.00 -0.01 0.00 0.00 64.34 64.79 3df4 n VAL 48 Cb 0.00 -1.98 0.28 0.00 -0.91 0.00 0.00 33.84 31.24 3df4 n VAL 48 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 3df4 h GLU 49 N -0.54 0.05 -0.86 5.55 5.08 -1.81 1.66 114.58 123.71 3df4 h GLU 49 Ca 0.00 -0.00 0.08 0.00 -1.00 0.00 0.00 59.36 58.44 3df4 h GLU 49 Cb 0.39 -0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.57 3df4 h GLU 49 CO 0.00 0.03 0.56 -1.35 -1.00 0.00 0.00 179.01 177.25 3df4 h PRO 50 N 0.05 0.87 -0.05 2.33 0.11 -1.78 0.45 132.00 133.98 3df4 h PRO 50 Ca 0.57 -0.05 -0.15 0.00 0.11 0.00 0.00 66.00 66.49 3df4 h PRO 50 Cb 1.18 -0.20 0.01 0.00 0.11 0.00 0.00 31.00 32.10 3df4 h PRO 50 CO -0.84 0.58 -0.54 -0.07 -0.21 0.00 0.00 178.00 176.92 3df4 h LEU 51 N 0.90 0.56 -1.60 2.35 4.07 0.20 -2.94 115.31 118.85 3df4 h LEU 51 Ca 0.38 -0.70 -0.01 0.00 0.08 0.00 0.00 57.88 57.63 3df4 h LEU 51 Cb 0.30 -0.17 -0.02 0.00 1.08 0.00 0.00 40.66 41.86 3df4 h LEU 51 CO -0.15 1.18 0.14 0.40 -1.08 0.00 0.00 178.44 178.93 3df4 h ILE 52 N -0.01 1.11 0.00 1.22 2.04 0.59 0.47 117.51 122.92 3df4 h ILE 52 Ca -0.05 -0.31 -0.04 0.00 1.00 0.00 0.00 64.86 65.46 3df4 h ILE 52 Cb 1.22 0.74 -0.01 0.00 -0.74 0.00 0.00 36.82 38.03 3df4 h ILE 52 CO 0.11 0.12 -0.21 0.74 0.00 0.00 0.00 178.15 178.91 3df4 h THR 53 N 0.41 0.97 0.00 -0.27 2.02 -0.09 0.85 112.91 116.81 3df4 h THR 53 Ca 0.10 -0.75 0.00 0.00 0.77 0.00 0.00 66.41 66.54 3df4 h THR 53 Cb 0.05 1.42 0.00 0.00 -1.74 0.00 0.00 68.15 67.89 3df4 h THR 53 CO -0.01 0.20 -0.55 0.25 0.37 0.00 0.00 175.52 175.77 3df4 h LEU 54 N 0.00 0.00 -1.51 2.58 5.85 -0.11 -3.24 115.31 118.88 3df4 h LEU 54 Ca -0.00 -0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.68 3df4 h LEU 54 Cb 0.41 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.44 3df4 h LEU 54 CO 0.03 0.02 0.00 0.00 -0.34 0.00 0.00 178.44 178.15 3df4 h ALA 55 N 2.14 1.00 0.13 1.25 0.00 0.22 -3.25 119.26 120.76 3df4 h ALA 55 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 3df4 h ALA 55 Cb 0.93 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 3df4 h ALA 55 CO 0.00 0.00 -0.23 0.87 0.00 0.00 0.00 179.25 179.89 3df4 h LYS 56 N 0.00 -0.37 -6.17 0.00 1.79 -1.53 -3.32 116.57 106.98 3df4 h LYS 56 Ca 0.00 0.03 -0.57 0.00 -2.18 0.00 0.00 60.65 57.93 3df4 h LYS 56 Cb 0.49 0.08 -0.05 0.00 -1.58 0.00 0.00 32.23 31.18 3df4 h LYS 56 CO 0.00 -0.25 0.75 0.99 -1.08 0.00 0.00 179.45 179.87 3df4 s THR 57 N -4.21 4.57 0.00 -0.16 2.01 -1.23 -4.89 115.64 111.73 3df4 s THR 57 Ca -0.07 1.88 0.00 0.00 0.31 0.00 0.00 61.69 63.81 3df4 s THR 57 Cb 0.02 -4.21 0.00 0.00 0.01 0.00 0.00 72.50 68.32 3df4 s THR 57 CO 0.26 -0.10 0.00 -0.67 -0.69 0.00 0.00 174.62 173.42 3df4 n ASP 58 N 5.92 0.00 -0.74 3.53 4.64 -1.26 -4.84 116.55 123.80 3df4 n ASP 58 Ca 0.11 0.00 0.09 0.00 -1.38 0.00 0.00 54.79 53.62 3df4 n ASP 58 Cb 0.46 0.00 -0.04 0.00 -1.04 0.00 0.00 41.12 40.51 3df4 n ASP 58 CO 0.00 0.00 0.00 -0.24 -0.82 0.00 0.00 177.20 176.14 3df4 n SER 59 N 0.00 -4.36 -0.05 1.67 2.88 -1.26 -3.94 113.62 108.56 3df4 n SER 59 Ca 0.00 0.59 -0.01 0.00 -1.33 0.00 0.00 58.87 58.12 3df4 n SER 59 Cb 0.00 -2.45 -0.15 0.00 -0.75 0.00 0.00 64.21 60.86 3df4 n SER 59 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 3df4 n VAL 60 N -3.38 0.84 -0.05 2.46 0.31 -1.26 -3.55 118.33 113.70 3df4 n VAL 60 Ca -0.03 -0.70 -0.05 0.00 -0.01 0.00 0.00 64.34 63.55 3df4 n VAL 60 Cb 0.35 -0.32 -0.04 0.00 -0.91 0.00 0.00 33.84 32.92 3df4 n VAL 60 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3df4 h ALA 61 N 1.43 -0.02 0.00 3.52 0.00 -1.99 -0.72 119.26 121.48 3df4 h ALA 61 Ca -0.30 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.46 3df4 h ALA 61 Cb 1.70 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.49 3df4 h ALA 61 CO 0.02 -0.02 0.00 0.09 0.00 0.00 0.00 179.25 179.34 3df4 n ASN 62 N -4.74 0.00 -0.01 0.00 5.03 -1.26 0.57 115.26 114.85 3df4 n ASN 62 Ca -0.03 0.50 -0.00 0.00 0.87 0.00 0.00 54.58 55.92 3df4 n ASN 62 Cb 0.15 -0.50 -0.00 0.00 -1.02 0.00 0.00 39.78 38.41 3df4 n ASN 62 CO 0.00 0.00 0.00 -0.09 -1.83 0.00 0.00 177.26 175.34 3df4 h ARG 63 N 0.00 0.00 -0.73 3.52 9.65 -1.59 -2.92 114.38 122.32 3df4 h ARG 63 Ca 0.00 0.00 0.07 0.00 -1.10 0.00 0.00 59.98 58.95 3df4 h ARG 63 Cb 0.01 0.00 -0.06 0.00 -1.39 0.00 0.00 29.97 28.53 3df4 h ARG 63 CO 0.00 0.00 0.40 0.00 2.80 0.00 0.00 179.97 183.17 3df4 h ARG 64 N -0.13 0.70 -0.13 0.20 3.08 -0.53 0.38 114.38 117.94 3df4 h ARG 64 Ca 0.00 -0.04 0.03 0.00 0.07 0.00 0.00 59.98 60.04 3df4 h ARG 64 Cb 0.02 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 29.91 3df4 h ARG 64 CO 0.00 0.46 0.10 1.25 -1.07 0.00 0.00 179.97 180.71 3df4 h LEU 65 N 0.72 0.03 -0.60 3.04 5.85 -0.06 0.75 115.31 125.04 3df4 h LEU 65 Ca 0.34 -0.00 -0.15 0.00 0.84 0.00 0.00 57.88 58.91 3df4 h LEU 65 Cb 0.26 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.26 3df4 h LEU 65 CO -0.21 0.02 -0.69 0.00 -0.34 0.00 0.00 178.44 177.22 3df4 h ALA 66 N 1.93 0.84 0.00 1.25 0.00 -0.15 -2.53 119.26 120.60 3df4 h ALA 66 Ca 0.06 -0.62 -0.03 0.00 0.00 0.00 0.00 54.91 54.32 3df4 h ALA 66 Cb 0.20 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 3df4 h ALA 66 CO -0.00 0.85 -0.15 0.35 0.00 0.00 0.00 179.25 180.29 3df4 h PHE 67 N 0.03 0.00 0.00 0.00 3.57 0.22 -3.32 116.94 117.45 3df4 h PHE 67 Ca -0.01 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.49 3df4 h PHE 67 Cb 1.23 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.97 3df4 h PHE 67 CO 0.01 0.15 0.00 0.00 -2.23 0.00 0.00 178.31 176.24 3df4 n ALA 68 N -2.14 -0.27 -1.66 2.41 0.00 0.20 -4.31 120.51 114.75 3df4 n ALA 68 Ca 0.03 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.15 3df4 n ALA 68 Cb 0.56 0.10 0.01 0.00 0.00 0.00 0.00 19.45 20.13 3df4 n ALA 68 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 3df4 s ARG 69 N -2.41 3.30 -0.22 0.00 3.03 -1.22 -4.42 118.95 117.01 3df4 s ARG 69 Ca 0.00 1.16 -0.04 0.00 2.03 0.00 0.00 55.73 58.88 3df4 s ARG 69 Cb 0.00 -2.03 0.02 0.00 -1.03 0.00 0.00 34.95 31.90 3df4 s ARG 69 CO 0.00 -0.82 0.08 0.25 -1.13 0.00 0.00 175.30 173.68 3df4 n THR 70 N -2.14-10.56 0.65 4.99 -2.24 -1.26 -4.79 114.28 98.93 3df4 n THR 70 Ca 0.08 1.90 0.07 0.00 -2.27 0.00 0.00 64.05 63.83 3df4 n THR 70 Cb 0.53 -6.10 0.34 0.00 -2.10 0.00 0.00 70.33 63.00 3df4 n THR 70 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 3df4 n ARG 71 N 1.23 0.22 -2.29 -0.78 3.00 -1.26 -4.60 116.66 112.18 3df4 n ARG 71 Ca -0.14 0.14 -0.40 0.00 -0.00 0.00 0.00 57.85 57.45 3df4 n ARG 71 Cb 0.27 -1.50 -0.03 0.00 0.00 0.00 0.00 32.46 31.20 3df4 n ARG 71 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 3df4 s ASP 72 N -2.49 5.75 0.00 6.15 3.68 -1.26 -4.81 116.67 123.69 3df4 s ASP 72 Ca 0.14 0.04 0.07 0.00 2.13 0.00 0.00 52.55 54.93 3df4 s ASP 72 Cb 0.09 -2.54 0.43 0.00 -1.45 0.00 0.00 42.92 39.45 3df4 s ASP 72 CO 0.19 -2.06 1.01 -3.20 0.13 0.00 0.00 175.17 171.24 3df4 n ASN 73 N 10.96 0.00 -0.13 -0.34 5.15 -1.26 -2.93 115.26 126.71 3df4 n ASN 73 Ca 0.13 -1.14 -0.28 0.00 -0.60 0.00 0.00 54.58 52.69 3df4 n ASN 73 Cb 0.50 0.00 -0.10 0.00 -0.53 0.00 0.00 39.78 39.65 3df4 n ASN 73 CO 0.00 0.00 0.00 1.21 1.40 0.00 0.00 177.26 179.87 3df4 n GLU 74 N -0.67 0.59 0.32 1.20 2.13 -1.26 -4.30 120.64 118.66 3df4 n GLU 74 Ca 0.05 0.30 0.19 0.00 0.66 0.00 0.00 57.16 58.36 3df4 n GLU 74 Cb 0.02 -1.53 1.06 0.00 0.27 0.00 0.00 31.44 31.26 3df4 n GLU 74 CO 0.00 0.00 0.00 -0.84 -0.41 0.00 0.00 177.13 175.88 3df4 h ILE 75 N -0.90 0.24 0.00 6.31 3.07 -1.90 0.44 117.51 124.77 3df4 h ILE 75 Ca -0.64 -0.04 0.00 0.00 1.55 0.00 0.00 64.86 65.73 3df4 h ILE 75 Cb 1.60 1.03 0.00 0.00 -0.27 0.00 0.00 36.82 39.19 3df4 h ILE 75 CO -0.36 0.01 0.00 -0.37 -1.05 0.00 0.00 178.15 176.38 3df4 h VAL 76 N 0.00 0.00 0.15 0.16 -1.51 -1.74 0.91 116.25 114.22 3df4 h VAL 76 Ca -0.00 -0.21 -0.30 0.00 -1.23 0.00 0.00 66.70 64.95 3df4 h VAL 76 Cb 0.03 1.07 0.00 0.00 -2.13 0.00 0.00 31.29 30.27 3df4 h VAL 76 CO 0.00 0.00 -1.45 0.00 -1.23 0.00 0.00 177.57 174.89 3df4 h ALA 77 N 2.05 0.14 -0.70 5.19 0.00 -0.34 -3.15 119.26 122.45 3df4 h ALA 77 Ca 0.00 -1.01 -0.02 0.00 0.00 0.00 0.00 54.91 53.88 3df4 h ALA 77 Cb 0.24 0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 3df4 h ALA 77 CO 0.00 1.01 0.36 -0.22 0.00 0.00 0.00 179.25 180.40 3df4 h LYS 78 N 0.08 0.98 -7.04 0.00 1.63 -0.85 -2.75 116.57 108.62 3df4 h LYS 78 Ca -0.22 -0.12 -0.50 0.00 -0.85 0.00 0.00 60.65 58.97 3df4 h LYS 78 Cb 2.03 -0.19 0.03 0.00 -0.60 0.00 0.00 32.23 33.51 3df4 h LYS 78 CO 0.19 0.74 0.21 -0.51 -3.45 0.00 0.00 179.45 176.63 3df4 s LEU 79 N -9.67 3.57 0.00 5.20 1.43 -0.18 0.98 118.68 120.01 3df4 s LEU 79 Ca -0.11 1.15 0.00 0.00 -1.03 0.00 0.00 54.13 54.14 3df4 s LEU 79 Cb 0.17 -4.11 0.00 0.00 0.03 0.00 0.00 46.19 42.27 3df4 s LEU 79 CO 0.80 -0.61 0.00 0.49 0.23 0.00 0.00 176.35 177.26 3df4 n PHE 80 N -2.11 0.00 0.00 0.29 3.72 -1.25 -4.28 117.46 113.83 3df4 n PHE 80 Ca 0.03 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.43 3df4 n PHE 80 Cb 0.54 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.08 3df4 n PHE 80 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 3df4 n ASN 81 N 0.88 0.00 0.00 4.37 4.13 -1.19 -4.04 115.26 119.41 3df4 n ASN 81 Ca 0.00 0.01 0.00 0.00 1.68 0.00 0.00 54.58 56.27 3df4 n ASN 81 Cb 0.00 -0.21 0.00 0.00 -1.54 0.00 0.00 39.78 38.03 3df4 n ASN 81 CO 0.00 0.00 0.00 1.21 0.28 0.00 0.00 177.26 178.75 3df4 n GLU 82 N -1.90 0.00 0.00 3.52 2.13 -0.43 -4.06 120.64 119.91 3df4 n GLU 82 Ca 0.00 0.00 0.01 0.00 0.66 0.00 0.00 57.16 57.83 3df4 n GLU 82 Cb 0.00 0.00 0.06 0.00 0.27 0.00 0.00 31.44 31.77 3df4 n GLU 82 CO 0.00 0.00 0.00 1.47 -0.41 0.00 0.00 177.13 178.19 3df4 n LEU 83 N 0.00 0.00 0.00 4.31 -0.00 0.28 -3.33 117.00 118.26 3df4 n LEU 83 Ca 0.00 0.22 0.00 0.00 -0.00 0.00 0.00 56.01 56.23 3df4 n LEU 83 Cb 0.00 -0.22 0.00 0.00 -0.00 0.00 0.00 43.42 43.20 3df4 n LEU 83 CO 0.00 -0.20 0.40 0.61 -0.00 0.00 0.00 177.39 178.20 3df4 n GLY 84 N -1.05 -2.71 0.21 1.47 0.00 -0.87 -2.75 105.19 99.49 3df4 n GLY 84 Ca 0.01 0.07 0.15 0.00 0.00 0.00 0.00 46.02 46.25 3df4 n GLY 84 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3df4 h PRO 85 N 0.00 0.00 -0.19 1.61 0.11 -1.69 -3.26 132.00 128.57 3df4 h PRO 85 Ca 0.00 0.00 0.02 0.00 0.11 0.00 0.00 66.00 66.13 3df4 h PRO 85 Cb 0.00 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 31.07 3df4 h PRO 85 CO 0.00 0.00 -0.23 0.00 -0.21 0.00 0.00 178.00 177.56 3df4 h ARG 86 N 0.00 -0.14 -1.10 1.05 2.47 -1.52 0.49 114.38 115.63 3df4 h ARG 86 Ca 0.00 0.01 -0.29 0.00 -1.26 0.00 0.00 59.98 58.44 3df4 h ARG 86 Cb 0.21 0.03 -0.16 0.00 -1.65 0.00 0.00 29.97 28.41 3df4 h ARG 86 CO 0.00 -0.09 0.37 1.19 0.56 0.00 0.00 179.97 181.99 3df4 n PHE 87 N -3.81 1.62 -0.09 3.04 3.72 -1.23 -4.59 117.46 116.12 3df4 n PHE 87 Ca -0.01 -1.38 0.00 0.00 -0.05 0.00 0.00 57.45 56.01 3df4 n PHE 87 Cb 0.14 -0.69 0.00 0.00 -0.94 0.00 0.00 39.48 37.98 3df4 n PHE 87 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3df4 n ALA 88 N -0.24 3.03 -0.40 4.37 0.00 0.16 -2.06 120.51 125.37 3df4 n ALA 88 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.76 3df4 n ALA 88 Cb 1.01 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 19.25 3df4 n ALA 88 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3df4 n SER 89 N 1.39 0.00 -4.76 0.00 3.41 -1.26 -5.08 113.62 107.32 3df4 n SER 89 Ca 0.00 -0.05 -0.41 0.00 -0.26 0.00 0.00 58.87 58.15 3df4 n SER 89 Cb 0.36 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.28 3df4 n SER 89 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 3df4 s ARG 90 N 0.00 4.49 0.63 4.33 6.06 -0.88 -4.90 118.95 128.68 3df4 s ARG 90 Ca 0.00 2.02 0.41 0.00 -2.50 0.00 0.00 55.73 55.66 3df4 s ARG 90 Cb 0.00 -3.13 2.14 0.00 0.06 0.00 0.00 34.95 34.02 3df4 s ARG 90 CO 0.00 -0.01 2.27 0.00 -2.50 0.00 0.00 175.30 175.06 3df4 h ALA 91 N 3.71 1.02 0.00 6.12 0.00 -2.01 -3.45 119.26 124.65 3df4 h ALA 91 Ca -0.48 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.43 3df4 h ALA 91 Cb 1.22 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.01 3df4 h ALA 91 CO 0.67 0.00 0.00 0.41 0.00 0.00 0.00 179.25 180.33 3df4 n GLY 92 N -0.80 2.73 3.50 0.00 0.00 -1.26 -5.06 105.19 104.30 3df4 n GLY 92 Ca -0.02 -0.34 -0.30 0.00 0.00 0.00 0.00 46.02 45.37 3df4 n GLY 92 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3df4 n GLY 93 N 0.00 1.06 0.41 -0.02 0.00 -1.26 -4.62 105.19 100.76 3df4 n GLY 93 Ca 0.00 -0.69 0.13 0.00 0.00 0.00 0.00 46.02 45.46 3df4 n GLY 93 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3df4 n TYR 94 N 13.77 0.06 -4.30 1.61 4.01 -1.26 -4.83 117.16 126.22 3df4 n TYR 94 Ca 0.45 -0.03 -0.17 0.00 -0.16 0.00 0.00 57.90 57.99 3df4 n TYR 94 Cb 0.45 0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 39.38 3df4 n TYR 94 CO 0.00 0.00 0.00 -0.08 -0.46 0.00 0.00 176.86 176.32 3df4 s THR 95 N -1.94 1.50 0.04 -0.72 -1.32 -1.26 -2.25 115.64 109.68 3df4 s THR 95 Ca 0.37 -2.07 0.05 0.00 -1.21 0.00 0.00 61.69 58.84 3df4 s THR 95 Cb 0.20 -1.89 -0.02 0.00 -1.51 0.00 0.00 72.50 69.28 3df4 s THR 95 CO 0.31 -0.60 -0.16 -0.60 -2.21 0.00 0.00 174.62 171.37 3df4 s ARG 96 N -3.48 1.06 -0.24 7.08 6.06 0.27 -4.65 118.95 125.05 3df4 s ARG 96 Ca 0.18 -0.78 -0.13 0.00 -2.50 0.00 0.00 55.73 52.50 3df4 s ARG 96 Cb -0.01 -1.09 -0.16 0.00 0.06 0.00 0.00 34.95 33.75 3df4 s ARG 96 CO 0.04 0.27 -0.09 0.44 -2.50 0.00 0.00 175.30 173.46 3df4 n ILE 97 N 1.96 1.55 -2.98 4.11 -6.64 -1.26 -0.26 119.36 115.84 3df4 n ILE 97 Ca -0.17 -0.34 -0.00 0.00 -1.77 0.00 0.00 62.75 60.46 3df4 n ILE 97 Cb 0.54 -1.84 -0.00 0.00 -1.44 0.00 0.00 39.64 36.90 3df4 n ILE 97 CO 0.00 0.00 0.00 0.18 -1.77 0.00 0.00 176.55 174.96 3df4 n LEU 98 N -4.07 -5.41 -4.92 7.28 4.32 -1.25 -1.00 117.00 111.94 3df4 n LEU 98 Ca -0.44 0.92 -0.29 0.00 -0.02 0.00 0.00 56.01 56.18 3df4 n LEU 98 Cb 0.86 -2.31 0.12 0.00 -1.62 0.00 0.00 43.42 40.47 3df4 n LEU 98 CO 0.15 -2.32 0.79 -0.54 -1.22 0.00 0.00 177.39 174.25 3df4 s LYS 99 N -1.14 1.58 0.00 3.23 1.02 -1.26 -0.87 119.74 122.29 3df4 s LYS 99 Ca -0.02 -0.13 0.00 0.00 0.02 0.00 0.00 55.97 55.84 3df4 s LYS 99 Cb 0.00 -1.96 0.00 0.00 -0.52 0.00 0.00 37.83 35.35 3df4 s LYS 99 CO 0.33 -1.80 0.00 0.00 -0.92 0.00 0.00 175.35 172.96 3df4 n GLY 101 N -0.35 -0.40 1.87 0.00 0.00 -0.45 -4.80 105.19 101.06 3df4 n GLY 101 Ca 0.00 -0.21 -0.01 0.00 0.00 0.00 0.00 46.02 45.80 3df4 n GLY 101 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3df4 n PHE 102 N -1.64 -1.42 -0.97 1.61 3.72 -0.82 -4.31 117.46 113.63 3df4 n PHE 102 Ca -0.00 0.76 0.00 0.00 -0.05 0.00 0.00 57.45 58.16 3df4 n PHE 102 Cb 0.53 -2.31 0.00 0.00 -0.94 0.00 0.00 39.48 36.76 3df4 n PHE 102 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 176.76 174.58 3df4 n ARG 103 N 0.44 1.92 -0.03 -1.08 0.63 0.34 -4.72 116.66 114.16 3df4 n ARG 103 Ca -0.09 0.00 -0.05 0.00 -0.92 0.00 0.00 57.85 56.79 3df4 n ARG 103 Cb 0.14 0.00 -0.02 0.00 0.45 0.00 0.00 32.46 33.04 3df4 n ARG 103 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3df4 n ALA 104 N -3.00 1.71 0.04 5.13 0.00 -1.26 -4.57 120.51 118.56 3df4 n ALA 104 Ca 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.01 3df4 n ALA 104 Cb 0.00 0.11 0.02 0.00 0.00 0.00 0.00 19.45 19.58 3df4 n ALA 104 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3df4 n GLY 105 N 2.32 -0.21 3.55 0.00 0.00 -1.26 -4.66 105.19 104.93 3df4 n GLY 105 Ca -0.07 -0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.87 3df4 n GLY 105 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3df4 s ASP 106 N -2.37 -0.30 0.00 1.61 -4.77 -1.26 -4.99 116.67 104.59 3df4 s ASP 106 Ca 0.01 0.11 0.00 0.00 -3.30 0.00 0.00 52.55 49.37 3df4 s ASP 106 Cb 0.01 0.29 0.00 0.00 -1.09 0.00 0.00 42.92 42.13 3df4 s ASP 106 CO 0.01 -0.43 0.29 -3.20 0.70 0.00 0.00 175.17 172.55 3df4 n ASN 107 N 0.08 0.63 -4.68 2.11 4.05 -1.26 -3.17 115.26 113.02 3df4 n ASN 107 Ca -0.07 -1.10 -0.43 0.00 0.45 0.00 0.00 54.58 53.44 3df4 n ASN 107 Cb 0.60 -0.27 -0.03 0.00 1.23 0.00 0.00 39.78 41.30 3df4 n ASN 107 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 3df4 n ALA 108 N 0.26 1.90 -2.56 5.20 0.00 -1.26 -4.47 120.51 119.59 3df4 n ALA 108 Ca 0.00 0.28 -0.43 0.00 0.00 0.00 0.00 53.44 53.29 3df4 n ALA 108 Cb 0.15 -2.62 -0.02 0.00 0.00 0.00 0.00 19.45 16.96 3df4 n ALA 108 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3df4 s PRO 109 N 3.40 3.73 0.28 0.00 0.04 -1.26 0.13 135.00 141.32 3df4 s PRO 109 Ca 0.85 0.68 -0.04 0.00 0.04 0.00 0.00 61.00 62.53 3df4 s PRO 109 Cb -0.48 -3.91 0.06 0.00 0.04 0.00 0.00 34.50 30.21 3df4 s PRO 109 CO 0.40 -1.37 0.38 -1.33 0.04 0.00 0.00 177.00 175.12 3df4 n MET 110 N 7.80 -0.21 0.00 4.56 2.81 -1.26 -1.30 117.12 129.51 3df4 n MET 110 Ca 0.13 -0.67 0.00 0.00 -1.81 0.00 0.00 57.70 55.35 3df4 n MET 110 Cb 0.49 -0.37 0.00 0.00 -0.71 0.00 0.00 33.22 32.63 3df4 n MET 110 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3df4 n ALA 111 N -3.20 0.00 -2.69 3.04 0.00 0.26 -1.35 120.51 116.59 3df4 n ALA 111 Ca -0.06 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.33 3df4 n ALA 111 Cb 0.18 0.00 0.06 0.00 0.00 0.00 0.00 19.45 19.69 3df4 n ALA 111 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3df4 n TYR 112 N 0.00 -1.23 -1.69 0.00 4.01 -0.05 -4.31 117.16 113.88 3df4 n TYR 112 Ca 0.00 -0.93 -0.38 0.00 -0.16 0.00 0.00 57.90 56.43 3df4 n TYR 112 Cb 0.00 1.20 0.05 0.00 -0.31 0.00 0.00 39.34 40.28 3df4 n TYR 112 CO 0.00 0.00 0.00 1.51 -0.46 0.00 0.00 176.86 177.91 3df4 n ILE 113 N 1.69 4.07 -3.63 -0.72 0.13 0.35 -3.95 119.36 117.29 3df4 n ILE 113 Ca 0.04 -0.50 -0.13 0.00 -1.10 0.00 0.00 62.75 61.06 3df4 n ILE 113 Cb 0.68 -1.43 -0.07 0.00 -0.84 0.00 0.00 39.64 37.98 3df4 n ILE 113 CO 0.00 0.00 0.00 -0.70 2.80 0.00 0.00 176.55 178.65 3df4 s GLU 114 N -2.95 0.78 -0.86 9.51 2.12 0.64 -0.60 118.70 127.35 3df4 s GLU 114 Ca 0.76 0.93 -0.25 0.00 0.36 0.00 0.00 54.97 56.77 3df4 s GLU 114 Cb -0.41 0.38 0.01 0.00 0.26 0.00 0.00 34.13 34.37 3df4 s GLU 114 CO 0.46 -0.09 1.57 -0.51 -0.54 0.00 0.00 175.26 176.15 3df4 s LEU 115 N 0.36 3.31 -0.46 2.70 1.43 0.18 0.98 118.68 127.17 3df4 s LEU 115 Ca 0.01 -0.75 -0.04 0.00 -1.03 0.00 0.00 54.13 52.31 3df4 s LEU 115 Cb -0.05 -2.56 -0.16 0.00 0.03 0.00 0.00 46.19 43.46 3df4 s LEU 115 CO -0.00 -1.98 1.41 0.55 0.23 0.00 0.00 176.35 176.55 3df4 n VAL 116 N 7.00 0.00 0.00 -1.59 3.14 -0.95 -0.75 118.33 125.17 3df4 n VAL 116 Ca 0.24 -0.44 0.00 0.00 -2.96 0.00 0.00 64.34 61.18 3df4 n VAL 116 Cb 0.50 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.28 3df4 n VAL 116 CO 0.00 0.00 0.00 -0.90 -6.46 0.00 0.00 176.83 169.47 3df4 n ASP 117 N 4.44 0.00 0.20 6.55 3.85 -1.26 -4.94 116.55 125.39 3df4 n ASP 117 Ca 0.31 0.00 0.17 0.00 -0.71 0.00 0.00 54.79 54.56 3df4 n ASP 117 Cb 0.28 0.00 0.82 0.00 -1.35 0.00 0.00 41.12 40.87 3df4 n ASP 117 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 177.20 176.10 3df4 h ARG 118 N 0.00 0.00 -5.62 0.11 1.12 -1.31 -3.41 114.38 105.28 3df4 h ARG 118 Ca 0.00 0.00 -0.56 0.00 -1.11 0.00 0.00 59.98 58.31 3df4 h ARG 118 Cb 0.00 0.00 -0.03 0.00 -0.01 0.00 0.00 29.97 29.93 3df4 h ARG 118 CO 0.00 0.00 1.58 0.43 -3.11 0.00 0.00 179.97 178.87 3df4 n SER 119 N -3.82 1.77 0.00 -3.80 7.64 -1.26 -5.13 113.62 109.01 3df4 n SER 119 Ca 0.02 0.04 0.00 0.00 1.01 0.00 0.00 58.87 59.93 3df4 n SER 119 Cb 0.34 -1.30 0.00 0.00 -1.01 0.00 0.00 64.21 62.24 3df4 n SER 119 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24