#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3df2 n ARG 3 N 0.00 -1.02 -4.76 -1.46 1.74 -1.26 -4.87 116.66 105.03 3df2 n ARG 3 Ca 0.00 -0.18 -0.33 0.00 -0.77 0.00 0.00 57.85 56.57 3df2 n ARG 3 Cb 0.00 0.28 -0.12 0.00 -1.02 0.00 0.00 32.46 31.60 3df2 n ARG 3 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 3df2 s VAL 4 N -3.71 3.27 0.42 1.55 -7.23 -1.26 -4.40 120.40 109.04 3df2 s VAL 4 Ca 0.00 -0.69 0.17 0.00 -1.81 0.00 0.00 61.98 59.65 3df2 s VAL 4 Cb -0.00 -2.32 0.37 0.00 0.56 0.00 0.00 36.38 34.99 3df2 s VAL 4 CO 0.02 0.56 1.88 0.00 -0.31 0.00 0.00 175.10 177.24 3df2 n GLN 6 N -4.49 0.00 -0.00 0.00 7.27 -1.26 -4.01 117.38 114.88 3df2 n GLN 6 Ca 0.17 0.00 -0.02 0.00 0.07 0.00 0.00 57.00 57.23 3df2 n GLN 6 Cb 0.64 -0.27 -0.11 0.00 2.41 0.00 0.00 30.24 32.90 3df2 n GLN 6 CO 0.00 0.00 0.00 1.55 0.07 0.00 0.00 177.06 178.68 3df2 n VAL 7 N 0.00 1.14 0.00 1.69 3.14 -1.26 -4.49 118.33 118.55 3df2 n VAL 7 Ca 0.00 -0.71 0.00 0.00 -2.96 0.00 0.00 64.34 60.67 3df2 n VAL 7 Cb 0.00 -0.64 0.00 0.00 -1.06 0.00 0.00 33.84 32.14 3df2 n VAL 7 CO 0.00 0.00 0.00 0.35 -6.46 0.00 0.00 176.83 170.72 3df2 n THR 8 N -2.81 0.00 -0.58 1.55 -2.24 -1.26 -5.02 114.28 103.92 3df2 n THR 8 Ca -0.14 -0.13 0.00 0.00 -2.27 0.00 0.00 64.05 61.50 3df2 n THR 8 Cb 0.89 0.60 0.00 0.00 -2.10 0.00 0.00 70.33 69.72 3df2 n THR 8 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3df2 n GLY 9 N 1.26 0.88 3.43 3.38 0.00 -1.26 -4.97 105.19 107.91 3df2 n GLY 9 Ca 0.00 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.54 3df2 n GLY 9 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3df2 n LYS 10 N -2.00 0.56 -3.59 1.61 5.02 -1.26 -4.46 118.16 114.04 3df2 n LYS 10 Ca 0.00 0.11 -0.20 0.00 -2.02 0.00 0.00 58.31 56.21 3df2 n LYS 10 Cb 0.00 -2.14 -0.01 0.00 -0.02 0.00 0.00 35.03 32.86 3df2 n LYS 10 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3df2 s ARG 11 N 7.14 3.21 -0.22 1.97 0.52 -1.26 -2.24 118.95 128.07 3df2 s ARG 11 Ca 1.17 -0.93 -0.29 0.00 -0.52 0.00 0.00 55.73 55.16 3df2 s ARG 11 Cb -1.01 -2.83 -0.01 0.00 0.52 0.00 0.00 34.95 31.62 3df2 s ARG 11 CO 0.50 0.15 1.29 -1.25 0.02 0.00 0.00 175.30 176.01 3df2 s PRO 12 N -4.13 4.09 0.43 3.54 0.04 -1.26 -4.69 135.00 133.01 3df2 s PRO 12 Ca 0.42 1.48 0.01 0.00 0.04 0.00 0.00 61.00 62.95 3df2 s PRO 12 Cb -0.09 -3.82 -0.01 0.00 0.04 0.00 0.00 34.50 30.62 3df2 s PRO 12 CO 0.31 -0.90 0.64 0.08 0.04 0.00 0.00 177.00 177.17 3df2 s VAL 13 N 3.92 4.19 0.47 -0.36 1.01 -0.76 -4.84 120.40 124.03 3df2 s VAL 13 Ca 0.56 -0.51 0.08 0.00 0.00 0.00 0.00 61.98 62.11 3df2 s VAL 13 Cb -0.20 -3.54 0.03 0.00 0.00 0.00 0.00 36.38 32.68 3df2 s VAL 13 CO 0.18 -0.37 0.65 0.42 0.00 0.00 0.00 175.10 175.98 3df2 s THR 14 N -2.50 2.73 0.00 3.92 -4.23 -1.26 0.82 115.64 115.12 3df2 s THR 14 Ca 0.47 -0.99 0.00 0.00 -1.18 0.00 0.00 61.69 59.99 3df2 s THR 14 Cb -0.10 -2.74 0.00 0.00 1.34 0.00 0.00 72.50 71.00 3df2 s THR 14 CO 0.37 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 175.06 3df2 n GLY 15 N -1.99 0.53 3.00 3.99 0.00 -1.23 -4.75 105.19 104.74 3df2 n GLY 15 Ca 0.10 -0.75 -0.24 0.00 0.00 0.00 0.00 46.02 45.13 3df2 n GLY 15 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3df2 s ASN 16 N -0.21 1.64 0.56 1.61 0.01 -1.26 0.16 114.94 117.46 3df2 s ASN 16 Ca 0.00 -0.27 0.33 0.00 -0.71 0.00 0.00 52.86 52.21 3df2 s ASN 16 Cb 0.00 -0.76 1.67 0.00 0.41 0.00 0.00 41.25 42.57 3df2 s ASN 16 CO 0.00 0.02 2.13 0.78 -1.51 0.00 0.00 177.10 178.52 3df2 h ASN 17 N 6.99 0.00 -5.02 -1.22 2.35 -1.78 -3.47 115.58 113.44 3df2 h ASN 17 Ca -0.32 0.00 -0.21 0.00 -0.55 0.00 0.00 56.30 55.22 3df2 h ASN 17 Cb 1.18 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.56 3df2 h ASN 17 CO 0.47 0.06 -0.55 -1.14 -1.65 0.00 0.00 177.43 174.63 3df2 n ARG 18 N -3.42 -0.82 -0.68 0.81 0.63 -1.20 -4.89 116.66 107.10 3df2 n ARG 18 Ca -0.02 0.51 -0.29 0.00 -0.92 0.00 0.00 57.85 57.13 3df2 n ARG 18 Cb 0.21 -0.99 0.25 0.00 0.45 0.00 0.00 32.46 32.37 3df2 n ARG 18 CO 0.00 0.00 0.00 -1.54 -2.51 0.00 0.00 177.63 173.58 3df2 s SER 19 N -1.60 0.58 0.67 6.15 1.04 -1.24 -4.57 113.70 114.73 3df2 s SER 19 Ca 0.09 1.11 -0.17 0.00 0.48 0.00 0.00 55.95 57.46 3df2 s SER 19 Cb -0.01 -1.68 -0.09 0.00 0.10 0.00 0.00 66.02 64.34 3df2 s SER 19 CO 0.42 -4.39 0.23 1.57 0.98 0.00 0.00 173.24 172.05 3df2 n HIS 20 N -5.00 -1.76 -0.96 5.02 -0.00 -1.26 -0.95 115.22 110.31 3df2 n HIS 20 Ca 0.07 0.35 0.00 0.00 0.46 0.00 0.00 57.72 58.61 3df2 n HIS 20 Cb 0.57 -1.82 0.00 0.00 -0.12 0.00 0.00 29.99 28.63 3df2 n HIS 20 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 3df2 n ALA 21 N -2.05 0.00 -2.86 1.57 0.00 -1.26 -4.38 120.51 111.54 3df2 n ALA 21 Ca 0.09 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.52 3df2 n ALA 21 Cb 0.49 -0.23 -0.00 0.00 0.00 0.00 0.00 19.45 19.71 3df2 n ALA 21 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3df2 n LEU 22 N 0.00 -6.48 -3.98 0.00 4.77 -0.13 -5.02 117.00 106.16 3df2 n LEU 22 Ca 0.00 1.21 -0.25 0.00 -0.03 0.00 0.00 56.01 56.94 3df2 n LEU 22 Cb 0.05 -2.78 -0.17 0.00 -2.33 0.00 0.00 43.42 38.19 3df2 n LEU 22 CO 0.00 -2.79 -0.46 0.20 -1.33 0.00 0.00 177.39 173.02 3df2 s ASN 23 N -1.31 1.85 0.01 -1.43 0.01 -1.19 -4.94 114.94 107.95 3df2 s ASN 23 Ca -0.03 -0.29 -0.33 0.00 -0.71 0.00 0.00 52.86 51.50 3df2 s ASN 23 Cb 0.00 -0.81 -0.12 0.00 0.41 0.00 0.00 41.25 40.73 3df2 s ASN 23 CO 0.53 -0.02 1.81 0.00 -1.51 0.00 0.00 177.10 177.91 3df2 n ALA 24 N 4.17 1.23 -3.08 0.60 0.00 -1.26 -3.21 120.51 118.97 3df2 n ALA 24 Ca -0.20 0.32 -0.16 0.00 0.00 0.00 0.00 53.44 53.40 3df2 n ALA 24 Cb 0.51 -2.49 -0.00 0.00 0.00 0.00 0.00 19.45 17.47 3df2 n ALA 24 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3df2 n THR 25 N 4.69 -0.16 -0.93 0.00 -2.24 -1.26 -4.92 114.28 109.46 3df2 n THR 25 Ca 0.20 -3.81 -0.44 0.00 -2.27 0.00 0.00 64.05 57.73 3df2 n THR 25 Cb 0.31 0.05 -0.09 0.00 -2.10 0.00 0.00 70.33 68.50 3df2 n THR 25 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3df2 n LYS 26 N 0.40 0.00 0.00 -0.78 4.76 -1.25 -2.55 118.16 118.74 3df2 n LYS 26 Ca 0.20 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.64 3df2 n LYS 26 Cb 0.66 -1.11 0.00 0.00 -1.84 0.00 0.00 35.03 32.74 3df2 n LYS 26 CO 0.00 0.00 0.00 2.89 -1.37 0.00 0.00 177.40 178.92 3df2 n ARG 27 N 5.57 2.80 -3.63 1.97 1.85 0.43 -4.93 116.66 120.73 3df2 n ARG 27 Ca 0.41 0.00 -0.05 0.00 -1.00 0.00 0.00 57.85 57.21 3df2 n ARG 27 Cb -0.03 0.00 -0.06 0.00 -1.05 0.00 0.00 32.46 31.32 3df2 n ARG 27 CO 0.00 0.00 0.00 -0.98 -0.01 0.00 0.00 177.63 176.64 3df2 s ARG 28 N 4.93 0.20 -0.33 2.89 1.70 -1.26 -3.54 118.95 123.55 3df2 s ARG 28 Ca 0.00 0.14 -0.01 0.00 -0.47 0.00 0.00 55.73 55.39 3df2 s ARG 28 Cb 0.00 0.10 0.07 0.00 -0.57 0.00 0.00 34.95 34.55 3df2 s ARG 28 CO 0.00 -0.05 0.04 -0.06 -1.08 0.00 0.00 175.30 174.16 3df2 s PHE 29 N -0.46 3.40 0.04 5.89 0.40 0.24 -4.92 117.98 122.57 3df2 s PHE 29 Ca 0.06 -2.18 -0.13 0.00 -0.60 0.00 0.00 56.93 54.08 3df2 s PHE 29 Cb -0.03 -2.45 -0.06 0.00 0.51 0.00 0.00 43.02 41.00 3df2 s PHE 29 CO -0.09 -0.87 0.41 -0.48 0.70 0.00 0.00 175.22 174.89 3df2 s LEU 30 N 1.17 4.41 1.11 -0.37 2.34 -1.26 -1.83 118.68 124.24 3df2 s LEU 30 Ca -0.01 0.89 -0.18 0.00 0.06 0.00 0.00 54.13 54.89 3df2 s LEU 30 Cb -0.20 -2.78 0.10 0.00 -0.56 0.00 0.00 46.19 42.75 3df2 s LEU 30 CO -0.03 0.25 0.02 -2.65 -1.06 0.00 0.00 176.35 172.88 3df2 n PRO 31 N 1.39 -1.48 0.08 1.48 -0.02 -1.26 -4.97 135.00 130.21 3df2 n PRO 31 Ca -0.11 -0.41 -0.04 0.00 -2.02 0.00 0.00 63.50 60.92 3df2 n PRO 31 Cb 0.52 -1.70 -0.02 0.00 -0.02 0.00 0.00 33.50 32.28 3df2 n PRO 31 CO 0.00 0.00 0.00 -0.97 1.98 0.00 0.00 175.50 176.51 3df2 h ASN 32 N -2.02 -0.21 -3.20 2.55 -0.73 -1.95 -3.50 115.58 106.53 3df2 h ASN 32 Ca -0.53 0.01 0.05 0.00 1.87 0.00 0.00 56.30 57.70 3df2 h ASN 32 Cb 1.35 0.05 -0.03 0.00 0.27 0.00 0.00 38.32 39.97 3df2 h ASN 32 CO 0.38 0.00 -0.75 0.18 -0.37 0.00 0.00 177.43 176.87 3df2 n LEU 33 N -3.50 -1.12 0.00 0.34 4.77 -1.26 -4.83 117.00 111.41 3df2 n LEU 33 Ca -0.03 2.00 0.00 0.00 -0.03 0.00 0.00 56.01 57.95 3df2 n LEU 33 Cb 0.10 -2.72 0.00 0.00 -2.33 0.00 0.00 43.42 38.46 3df2 n LEU 33 CO 0.07 -0.80 0.00 1.41 -1.33 0.00 0.00 177.39 176.74 3df2 n HIS 34 N -2.78 0.00 -1.57 -1.77 8.25 -0.26 -4.74 115.22 112.34 3df2 n HIS 34 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.45 3df2 n HIS 34 Cb 0.38 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.49 3df2 n HIS 34 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 3df2 n SER 35 N -0.04 -7.22 -4.54 0.41 3.41 -1.12 -4.91 113.62 99.60 3df2 n SER 35 Ca 0.00 1.01 -0.29 0.00 -0.26 0.00 0.00 58.87 59.32 3df2 n SER 35 Cb 0.00 -3.83 -0.09 0.00 -0.26 0.00 0.00 64.21 60.03 3df2 n SER 35 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 3df2 s HIS 36 N -0.77 1.96 -0.76 7.33 2.46 0.12 -4.85 115.29 120.77 3df2 s HIS 36 Ca 0.00 -1.00 0.03 0.00 0.47 0.00 0.00 55.06 54.57 3df2 s HIS 36 Cb 0.00 -1.49 0.20 0.00 -0.13 0.00 0.00 32.58 31.16 3df2 s HIS 36 CO 0.00 0.11 0.65 0.54 -2.47 0.00 0.00 174.74 173.57 3df2 n ARG 37 N -1.07 2.27 -2.47 2.88 5.12 -1.26 -1.84 116.66 120.29 3df2 n ARG 37 Ca -0.12 -4.53 -0.41 0.00 -1.93 0.00 0.00 57.85 50.86 3df2 n ARG 37 Cb 0.66 -2.32 -0.04 0.00 -1.16 0.00 0.00 32.46 29.60 3df2 n ARG 37 CO 0.00 0.00 0.00 -0.06 -1.93 0.00 0.00 177.63 175.64 3df2 s PHE 38 N -1.68 3.54 -0.69 -1.55 0.08 -0.91 -4.93 117.98 111.84 3df2 s PHE 38 Ca 0.29 1.57 -0.17 0.00 0.12 0.00 0.00 56.93 58.74 3df2 s PHE 38 Cb -0.01 -3.32 0.14 0.00 -0.57 0.00 0.00 43.02 39.26 3df2 s PHE 38 CO -0.12 -0.76 0.74 -0.46 -0.10 0.00 0.00 175.22 174.52 3df2 s TRP 39 N -0.38 3.25 0.55 0.36 -0.00 -1.26 -2.53 118.94 118.93 3df2 s TRP 39 Ca 0.49 -1.34 0.25 0.00 -0.00 0.00 0.00 56.10 55.50 3df2 s TRP 39 Cb -0.31 -3.97 1.48 0.00 -0.00 0.00 0.00 33.47 30.67 3df2 s TRP 39 CO 0.37 -1.20 2.07 -0.39 -0.00 0.00 0.00 176.95 177.80 3df2 h VAL 40 N 5.62 0.68 0.00 5.86 -1.51 -1.44 -3.45 116.25 122.01 3df2 h VAL 40 Ca -0.13 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.34 3df2 h VAL 40 Cb 1.07 0.84 0.00 0.00 -2.13 0.00 0.00 31.29 31.07 3df2 h VAL 40 CO 1.01 0.00 0.00 1.21 -1.23 0.00 0.00 177.57 178.56 3df2 n GLU 41 N -4.17 0.00 0.13 5.19 0.00 -1.26 -4.13 120.64 116.41 3df2 n GLU 41 Ca 0.03 0.00 -0.15 0.00 0.00 0.00 0.00 57.16 57.05 3df2 n GLU 41 Cb 0.37 0.00 -0.07 0.00 0.00 0.00 0.00 31.44 31.74 3df2 n GLU 41 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 3df2 h SER 42 N 0.00 -1.21 0.27 4.31 4.64 -1.94 0.20 113.55 119.83 3df2 h SER 42 Ca 0.00 0.13 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 3df2 h SER 42 Cb 0.00 0.45 0.00 0.00 -0.31 0.00 0.00 62.40 62.54 3df2 h SER 42 CO 0.00 -0.49 0.00 1.21 -0.87 0.00 0.00 176.83 176.68 3df2 n GLU 43 N -5.47 0.41 -1.91 4.77 2.13 -1.26 -4.86 120.64 114.46 3df2 n GLU 43 Ca -0.07 0.06 -0.20 0.00 0.66 0.00 0.00 57.16 57.61 3df2 n GLU 43 Cb 0.38 -1.50 -0.05 0.00 0.27 0.00 0.00 31.44 30.54 3df2 n GLU 43 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 3df2 n LYS 44 N -1.20 -1.57 -4.30 5.31 3.00 0.70 -4.97 118.16 115.12 3df2 n LYS 44 Ca 0.12 1.07 -0.27 0.00 -0.00 0.00 0.00 58.31 59.23 3df2 n LYS 44 Cb 0.14 -5.55 -0.09 0.00 0.00 0.00 0.00 35.03 29.52 3df2 n LYS 44 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.40 177.90 3df2 s ARG 45 N -4.22 2.01 -0.66 1.64 3.52 -1.26 -4.88 118.95 115.10 3df2 s ARG 45 Ca 0.00 -1.30 0.01 0.00 -0.13 0.00 0.00 55.73 54.30 3df2 s ARG 45 Cb 0.00 -2.13 0.40 0.00 -1.56 0.00 0.00 34.95 31.66 3df2 s ARG 45 CO 0.00 0.43 1.73 1.19 -0.81 0.00 0.00 175.30 177.84 3df2 n PHE 46 N 0.02 3.11 -1.71 5.12 0.99 -1.26 -1.02 117.46 122.72 3df2 n PHE 46 Ca -0.11 -2.65 -0.61 0.00 -0.00 0.00 0.00 57.45 54.08 3df2 n PHE 46 Cb 0.56 -0.90 -0.08 0.00 -1.00 0.00 0.00 39.48 38.05 3df2 n PHE 46 CO 0.00 0.00 0.00 1.33 -0.00 0.00 0.00 176.76 178.09 3df2 n VAL 47 N -0.63 0.16 -3.44 -4.37 0.24 -1.05 -4.32 118.33 104.91 3df2 n VAL 47 Ca 0.51 -0.03 -0.39 0.00 -2.04 0.00 0.00 64.34 62.39 3df2 n VAL 47 Cb 0.50 -0.86 -0.10 0.00 -1.47 0.00 0.00 33.84 31.92 3df2 n VAL 47 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 3df2 s THR 48 N 2.95 5.20 -0.01 3.34 -1.32 -1.26 -2.15 115.64 122.40 3df2 s THR 48 Ca 1.00 0.30 0.06 0.00 -1.21 0.00 0.00 61.69 61.84 3df2 s THR 48 Cb -1.24 -3.70 -0.03 0.00 -1.51 0.00 0.00 72.50 66.03 3df2 s THR 48 CO 0.70 0.09 -0.19 -0.76 -2.21 0.00 0.00 174.62 172.25 3df2 s LEU 49 N 1.98 2.47 -1.32 9.08 1.43 -0.77 -4.89 118.68 126.66 3df2 s LEU 49 Ca 0.12 -0.36 -0.13 0.00 -1.03 0.00 0.00 54.13 52.73 3df2 s LEU 49 Cb -0.16 -1.47 -0.04 0.00 0.03 0.00 0.00 46.19 44.55 3df2 s LEU 49 CO 0.11 0.31 2.36 -1.14 0.23 0.00 0.00 176.35 178.22 3df2 n ARG 50 N 2.11 2.75 -2.62 1.70 3.00 -1.26 0.12 116.66 122.46 3df2 n ARG 50 Ca -0.17 -2.23 -0.32 0.00 -0.00 0.00 0.00 57.85 55.14 3df2 n ARG 50 Cb 0.52 -2.99 -0.05 0.00 0.00 0.00 0.00 32.46 29.94 3df2 n ARG 50 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 3df2 s VAL 51 N 3.26 4.52 0.11 5.15 1.01 -1.26 -4.32 120.40 128.87 3df2 s VAL 51 Ca 0.54 1.24 0.04 0.00 0.00 0.00 0.00 61.98 63.80 3df2 s VAL 51 Cb 0.15 -3.67 -0.04 0.00 0.00 0.00 0.00 36.38 32.81 3df2 s VAL 51 CO -0.04 -0.52 0.06 -0.94 0.00 0.00 0.00 175.10 173.66 3df2 s SER 52 N -2.73 5.33 0.77 3.32 1.04 -1.26 -1.11 113.70 119.07 3df2 s SER 52 Ca 0.59 -0.11 -0.17 0.00 0.48 0.00 0.00 55.95 56.74 3df2 s SER 52 Cb -0.10 -1.36 -0.10 0.00 0.10 0.00 0.00 66.02 64.56 3df2 s SER 52 CO 0.24 0.15 -0.12 0.00 0.98 0.00 0.00 173.24 174.49 3df2 n ALA 53 N 0.28 -3.42 0.00 5.32 0.00 -1.26 -0.92 120.51 120.51 3df2 n ALA 53 Ca -0.09 -0.37 0.00 0.00 0.00 0.00 0.00 53.44 52.98 3df2 n ALA 53 Cb 0.53 -1.48 0.00 0.00 0.00 0.00 0.00 19.45 18.50 3df2 n ALA 53 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3df2 n LYS 54 N 0.91 0.00 0.28 0.00 0.00 -1.26 -4.21 118.16 113.88 3df2 n LYS 54 Ca 0.05 0.00 0.18 0.00 0.00 0.00 0.00 58.31 58.54 3df2 n LYS 54 Cb 0.51 -0.06 0.93 0.00 0.00 0.00 0.00 35.03 36.41 3df2 n LYS 54 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.40 178.18 3df2 h GLY 55 N 0.00 0.00 0.80 3.14 0.00 -1.44 0.56 103.07 106.13 3df2 h GLY 55 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.17 3df2 h GLY 55 CO 0.00 0.00 -0.60 -0.33 0.00 0.00 0.00 176.54 175.61 3df2 h MET 56 N 0.00 0.43 -0.50 4.80 2.86 -1.59 -2.97 114.93 117.96 3df2 h MET 56 Ca 0.04 -0.44 0.15 0.00 -2.06 0.00 0.00 59.70 57.38 3df2 h MET 56 Cb 0.46 0.12 -0.02 0.00 0.06 0.00 0.00 31.60 32.23 3df2 h MET 56 CO -0.00 1.10 0.64 0.00 1.06 0.00 0.00 176.91 179.71 3df2 h ARG 57 N -0.07 0.00 0.66 1.72 3.08 -0.20 0.13 114.38 119.70 3df2 h ARG 57 Ca -0.07 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 59.95 3df2 h ARG 57 Cb 1.31 0.00 0.01 0.00 0.08 0.00 0.00 29.97 31.36 3df2 h ARG 57 CO 0.12 0.00 -0.32 0.28 -1.07 0.00 0.00 179.97 178.98 3df2 h VAL 58 N 0.00 0.00 -0.86 2.04 2.07 -1.31 -1.75 116.25 116.45 3df2 h VAL 58 Ca 0.24 -0.35 0.17 0.00 0.82 0.00 0.00 66.70 67.58 3df2 h VAL 58 Cb 1.52 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 31.22 3df2 h VAL 58 CO -0.00 0.00 0.56 0.40 0.02 0.00 0.00 177.57 178.55 3df2 h ILE 59 N -1.24 0.75 -0.15 4.57 1.08 -0.86 2.27 117.51 123.93 3df2 h ILE 59 Ca -0.09 -0.16 0.00 0.00 -0.39 0.00 0.00 64.86 64.22 3df2 h ILE 59 Cb 0.68 0.23 0.00 0.00 -3.07 0.00 0.00 36.82 34.65 3df2 h ILE 59 CO 0.15 0.09 0.00 0.47 -0.69 0.00 0.00 178.15 178.17 3df2 n ASP 60 N -4.52 0.83 0.02 1.72 8.00 -0.43 -2.80 116.55 119.37 3df2 n ASP 60 Ca 0.17 -1.98 0.00 0.00 0.71 0.00 0.00 54.79 53.69 3df2 n ASP 60 Cb 0.60 -0.10 0.00 0.00 -0.02 0.00 0.00 41.12 41.59 3df2 n ASP 60 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 3df2 n LYS 61 N -0.05 0.00 0.00 -1.24 0.00 0.31 -4.84 118.16 112.33 3df2 n LYS 61 Ca 0.06 0.00 0.14 0.00 0.00 0.00 0.00 58.31 58.51 3df2 n LYS 61 Cb 0.13 -0.01 0.67 0.00 0.00 0.00 0.00 35.03 35.82 3df2 n LYS 61 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 3df2 n LYS 62 N -2.61 0.48 0.00 1.64 4.81 0.69 -5.00 118.16 118.17 3df2 n LYS 62 Ca 0.00 -0.09 0.00 0.00 -0.87 0.00 0.00 58.31 57.35 3df2 n LYS 62 Cb 0.01 -1.50 0.00 0.00 0.02 0.00 0.00 35.03 33.56 3df2 n LYS 62 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3df2 n GLY 63 N 1.31 2.53 0.00 3.14 0.00 -1.15 -4.59 105.19 106.41 3df2 n GLY 63 Ca 0.13 -1.58 0.00 0.00 0.00 0.00 0.00 46.02 44.57 3df2 n GLY 63 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3df2 n ILE 64 N 1.39 0.00 0.02 -0.61 -0.00 -1.12 -1.99 119.36 117.05 3df2 n ILE 64 Ca 0.00 0.66 0.00 0.00 -0.00 0.00 0.00 62.75 63.41 3df2 n ILE 64 Cb 0.00 -1.35 0.01 0.00 -0.00 0.00 0.00 39.64 38.30 3df2 n ILE 64 CO 0.00 0.00 0.00 -0.90 -0.00 0.00 0.00 176.55 175.65 3df2 n ASP 65 N -1.21 0.00 -0.02 4.38 3.85 -1.26 0.62 116.55 122.91 3df2 n ASP 65 Ca 0.00 0.42 -0.16 0.00 -0.71 0.00 0.00 54.79 54.34 3df2 n ASP 65 Cb 0.00 -0.43 -0.12 0.00 -1.35 0.00 0.00 41.12 39.22 3df2 n ASP 65 CO 0.00 0.00 0.00 0.74 -1.01 0.00 0.00 177.20 176.93 3df2 h THR 66 N 0.00 1.58 0.09 2.12 2.02 -1.83 0.49 112.91 117.38 3df2 h THR 66 Ca 0.00 -2.18 -0.00 0.00 0.77 0.00 0.00 66.41 65.00 3df2 h THR 66 Cb 0.01 2.98 0.00 0.00 -1.74 0.00 0.00 68.15 69.40 3df2 h THR 66 CO 0.00 0.60 -0.04 0.58 0.37 0.00 0.00 175.52 177.03 3df2 h VAL 67 N -0.54 1.17 -0.86 3.16 2.07 -0.01 -2.87 116.25 118.37 3df2 h VAL 67 Ca -0.05 -1.27 0.24 0.00 0.82 0.00 0.00 66.70 66.44 3df2 h VAL 67 Cb 1.18 1.94 -0.04 0.00 -1.52 0.00 0.00 31.29 32.85 3df2 h VAL 67 CO 0.07 0.29 0.61 -0.07 0.02 0.00 0.00 177.57 178.50 3df2 h LEU 68 N -0.73 0.05 0.18 2.57 3.38 0.08 0.14 115.31 120.98 3df2 h LEU 68 Ca -0.01 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3df2 h LEU 68 Cb 0.57 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.31 3df2 h LEU 68 CO 0.02 0.02 -0.14 0.00 0.09 0.00 0.00 178.44 178.43 3df2 h ALA 69 N 1.58 -0.93 -3.10 1.53 0.00 -0.67 -3.26 119.26 114.41 3df2 h ALA 69 Ca 0.42 -0.06 -0.21 0.00 0.00 0.00 0.00 54.91 55.05 3df2 h ALA 69 Cb 1.58 0.31 0.11 0.00 0.00 0.00 0.00 17.79 19.79 3df2 h ALA 69 CO -0.03 -0.93 -0.02 -0.85 0.00 0.00 0.00 179.25 177.42 3df2 n GLU 70 N -3.09 -2.92 0.00 0.00 0.28 0.48 -2.59 120.64 112.80 3df2 n GLU 70 Ca -0.04 -0.89 0.00 0.00 -0.16 0.00 0.00 57.16 56.07 3df2 n GLU 70 Cb 0.13 -0.98 0.00 0.00 1.43 0.00 0.00 31.44 32.02 3df2 n GLU 70 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 177.13 176.86 3df2 n LEU 71 N 0.00 0.00 0.10 -1.84 -0.00 -1.25 -4.03 117.00 109.98 3df2 n LEU 71 Ca 0.08 0.00 0.12 0.00 -0.00 0.00 0.00 56.01 56.21 3df2 n LEU 71 Cb 0.33 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.75 3df2 n LEU 71 CO 0.22 0.00 0.02 -1.14 -0.00 0.00 0.00 177.39 176.49 3df2 n ARG 72 N 0.00 0.59 0.06 1.96 0.63 -1.08 -0.18 116.66 118.64 3df2 n ARG 72 Ca 0.00 0.11 -0.17 0.00 -0.92 0.00 0.00 57.85 56.88 3df2 n ARG 72 Cb 0.00 -1.81 -0.14 0.00 0.45 0.00 0.00 32.46 30.95 3df2 n ARG 72 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3df2 h ALA 73 N 2.03 0.30 0.00 5.13 0.00 -1.64 -3.24 119.26 121.84 3df2 h ALA 73 Ca 0.00 -1.13 0.00 0.00 0.00 0.00 0.00 54.91 53.78 3df2 h ALA 73 Cb 0.99 0.30 0.00 0.00 0.00 0.00 0.00 17.79 19.08 3df2 h ALA 73 CO 0.00 1.16 0.00 0.07 0.00 0.00 0.00 179.25 180.48 3df2 h ARG 74 N 0.06 0.00 0.00 0.00 0.11 -1.88 -3.46 114.38 109.22 3df2 h ARG 74 Ca -0.25 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.83 3df2 h ARG 74 Cb 2.01 0.00 0.00 0.00 1.11 0.00 0.00 29.97 33.09 3df2 h ARG 74 CO 0.16 0.00 0.00 0.41 0.10 0.00 0.00 179.97 180.64 3df2 n GLY 75 N -0.01 1.01 3.88 0.08 0.00 -1.17 -5.03 105.19 103.94 3df2 n GLY 75 Ca 0.01 -0.15 -0.30 0.00 0.00 0.00 0.00 46.02 45.57 3df2 n GLY 75 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3df2 s GLU 76 N -0.41 3.00 0.00 1.61 2.12 0.75 -5.01 118.70 120.76 3df2 s GLU 76 Ca 0.00 0.48 0.00 0.00 0.36 0.00 0.00 54.97 55.81 3df2 s GLU 76 Cb 0.00 -2.05 0.00 0.00 0.26 0.00 0.00 34.13 32.34 3df2 s GLU 76 CO 0.00 -0.92 0.45 0.36 -0.54 0.00 0.00 175.26 174.60 3df2 n LYS 77 N -2.93 0.00 -0.82 4.30 2.85 -1.26 -4.65 118.16 115.66 3df2 n LYS 77 Ca 0.07 0.45 0.00 0.00 -1.05 0.00 0.00 58.31 57.77 3df2 n LYS 77 Cb 0.57 -0.92 0.00 0.00 -0.65 0.00 0.00 35.03 34.02 3df2 n LYS 77 CO 0.00 0.00 0.00 0.98 -0.05 0.00 0.00 177.40 178.33