#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3df4 n ARG 3 N 0.00 -1.02 -4.68 -1.46 1.74 -1.26 -4.87 116.66 105.12 3df4 n ARG 3 Ca 0.00 -0.17 -0.33 0.00 -0.77 0.00 0.00 57.85 56.58 3df4 n ARG 3 Cb 0.00 0.28 -0.12 0.00 -1.02 0.00 0.00 32.46 31.60 3df4 n ARG 3 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 3df4 s VAL 4 N -3.65 3.42 0.40 1.55 -7.23 -1.26 -4.39 120.40 109.24 3df4 s VAL 4 Ca 0.00 -0.68 0.14 0.00 -1.81 0.00 0.00 61.98 59.64 3df4 s VAL 4 Cb -0.00 -2.40 0.35 0.00 0.56 0.00 0.00 36.38 34.89 3df4 s VAL 4 CO 0.01 0.53 1.88 0.00 -0.31 0.00 0.00 175.10 177.21 3df4 n GLN 6 N -4.51 0.00 0.02 0.00 7.27 -1.26 -4.00 117.38 114.90 3df4 n GLN 6 Ca 0.17 0.00 -0.01 0.00 0.07 0.00 0.00 57.00 57.23 3df4 n GLN 6 Cb 0.57 -0.16 -0.09 0.00 2.41 0.00 0.00 30.24 32.97 3df4 n GLN 6 CO 0.00 0.00 0.00 1.55 0.07 0.00 0.00 177.06 178.68 3df4 n VAL 7 N 0.00 1.18 0.00 1.69 3.14 -1.26 -4.46 118.33 118.61 3df4 n VAL 7 Ca 0.00 -0.70 0.00 0.00 -2.96 0.00 0.00 64.34 60.68 3df4 n VAL 7 Cb 0.00 -0.71 0.00 0.00 -1.06 0.00 0.00 33.84 32.07 3df4 n VAL 7 CO 0.00 0.00 0.00 0.35 -6.46 0.00 0.00 176.83 170.72 3df4 n THR 8 N -2.86 0.00 -0.50 1.55 -2.24 -1.26 -5.03 114.28 103.94 3df4 n THR 8 Ca -0.11 -0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.63 3df4 n THR 8 Cb 0.86 0.41 0.00 0.00 -2.10 0.00 0.00 70.33 69.50 3df4 n THR 8 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3df4 n GLY 9 N 1.60 0.75 3.45 3.38 0.00 -1.26 -4.98 105.19 108.12 3df4 n GLY 9 Ca 0.00 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.55 3df4 n GLY 9 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3df4 n LYS 10 N -2.01 0.57 -3.50 1.61 5.02 -1.26 -4.45 118.16 114.14 3df4 n LYS 10 Ca 0.00 0.10 -0.21 0.00 -2.02 0.00 0.00 58.31 56.19 3df4 n LYS 10 Cb 0.00 -2.19 -0.01 0.00 -0.02 0.00 0.00 35.03 32.82 3df4 n LYS 10 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3df4 s ARG 11 N 7.37 3.22 -0.26 1.97 0.52 -1.26 -2.29 118.95 128.22 3df4 s ARG 11 Ca 1.17 -0.80 -0.29 0.00 -0.52 0.00 0.00 55.73 55.29 3df4 s ARG 11 Cb -0.97 -2.78 -0.00 0.00 0.52 0.00 0.00 34.95 31.72 3df4 s ARG 11 CO 0.48 0.10 1.31 -1.25 0.02 0.00 0.00 175.30 175.96 3df4 s PRO 12 N -4.20 3.99 0.44 3.54 0.04 -1.26 -4.69 135.00 132.86 3df4 s PRO 12 Ca 0.42 1.39 -0.00 0.00 0.04 0.00 0.00 61.00 62.85 3df4 s PRO 12 Cb -0.09 -3.86 -0.01 0.00 0.04 0.00 0.00 34.50 30.58 3df4 s PRO 12 CO 0.32 -1.02 0.67 0.08 0.04 0.00 0.00 177.00 177.09 3df4 s VAL 13 N 4.19 4.22 0.54 -0.36 1.01 -0.77 -4.84 120.40 124.39 3df4 s VAL 13 Ca 0.57 -0.42 0.07 0.00 0.00 0.00 0.00 61.98 62.20 3df4 s VAL 13 Cb -0.19 -3.56 0.06 0.00 0.00 0.00 0.00 36.38 32.69 3df4 s VAL 13 CO 0.21 -0.41 0.74 0.42 0.00 0.00 0.00 175.10 176.06 3df4 s THR 14 N -2.55 2.46 -0.51 3.92 -4.23 -1.26 0.85 115.64 114.32 3df4 s THR 14 Ca 0.47 -0.93 0.00 0.00 -1.18 0.00 0.00 61.69 60.06 3df4 s THR 14 Cb -0.10 -2.53 0.00 0.00 1.34 0.00 0.00 72.50 71.21 3df4 s THR 14 CO 0.38 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 175.07 3df4 n GLY 15 N -2.19 -1.19 3.03 3.99 0.00 -1.23 -4.73 105.19 102.87 3df4 n GLY 15 Ca 0.13 -0.83 -0.25 0.00 0.00 0.00 0.00 46.02 45.07 3df4 n GLY 15 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3df4 s ASN 16 N -4.00 1.80 0.56 1.61 0.01 -1.26 0.20 114.94 113.85 3df4 s ASN 16 Ca 0.00 -0.30 0.32 0.00 -0.71 0.00 0.00 52.86 52.17 3df4 s ASN 16 Cb 0.00 -0.80 1.63 0.00 0.41 0.00 0.00 41.25 42.49 3df4 s ASN 16 CO 0.00 0.05 2.11 0.78 -1.51 0.00 0.00 177.10 178.53 3df4 h ASN 17 N 6.88 0.00 -5.15 -1.22 2.35 -1.80 -3.47 115.58 113.17 3df4 h ASN 17 Ca -0.31 0.00 -0.23 0.00 -0.55 0.00 0.00 56.30 55.21 3df4 h ASN 17 Cb 1.19 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.56 3df4 h ASN 17 CO 0.48 0.07 -0.59 -1.14 -1.65 0.00 0.00 177.43 174.60 3df4 n ARG 18 N -3.40 -0.87 -0.73 0.81 0.63 -1.20 -4.89 116.66 107.01 3df4 n ARG 18 Ca -0.01 0.53 -0.29 0.00 -0.92 0.00 0.00 57.85 57.15 3df4 n ARG 18 Cb 0.22 -1.06 0.24 0.00 0.45 0.00 0.00 32.46 32.32 3df4 n ARG 18 CO 0.00 0.00 0.00 -1.54 -2.51 0.00 0.00 177.63 173.58 3df4 s SER 19 N -1.68 0.80 0.63 6.15 1.04 -1.25 -4.59 113.70 114.81 3df4 s SER 19 Ca 0.09 1.14 -0.17 0.00 0.48 0.00 0.00 55.95 57.49 3df4 s SER 19 Cb -0.01 -1.74 -0.09 0.00 0.10 0.00 0.00 66.02 64.28 3df4 s SER 19 CO 0.45 -4.26 0.25 1.57 0.98 0.00 0.00 173.24 172.23 3df4 n HIS 20 N -4.92 -1.65 -0.97 5.02 -0.00 -1.26 -0.93 115.22 110.52 3df4 n HIS 20 Ca 0.07 0.38 0.00 0.00 0.46 0.00 0.00 57.72 58.63 3df4 n HIS 20 Cb 0.57 -1.83 0.00 0.00 -0.12 0.00 0.00 29.99 28.61 3df4 n HIS 20 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 3df4 n ALA 21 N -1.91 0.00 -2.87 1.57 0.00 -1.26 -4.39 120.51 111.64 3df4 n ALA 21 Ca 0.09 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.53 3df4 n ALA 21 Cb 0.49 -0.15 -0.00 0.00 0.00 0.00 0.00 19.45 19.79 3df4 n ALA 21 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3df4 n LEU 22 N 0.00 -6.57 -4.00 0.00 4.77 -0.10 -5.02 117.00 106.07 3df4 n LEU 22 Ca 0.00 1.11 -0.25 0.00 -0.03 0.00 0.00 56.01 56.84 3df4 n LEU 22 Cb 0.03 -2.78 -0.17 0.00 -2.33 0.00 0.00 43.42 38.18 3df4 n LEU 22 CO 0.00 -2.65 -0.47 0.20 -1.33 0.00 0.00 177.39 173.15 3df4 s ASN 23 N -1.42 1.91 0.04 -1.43 0.01 -1.19 -4.94 114.94 107.92 3df4 s ASN 23 Ca -0.00 -0.31 -0.33 0.00 -0.71 0.00 0.00 52.86 51.51 3df4 s ASN 23 Cb 0.00 -0.85 -0.12 0.00 0.41 0.00 0.00 41.25 40.69 3df4 s ASN 23 CO 0.53 0.00 1.79 0.00 -1.51 0.00 0.00 177.10 177.91 3df4 n ALA 24 N 4.06 1.37 -3.02 0.60 0.00 -1.26 -3.28 120.51 118.98 3df4 n ALA 24 Ca -0.21 0.33 -0.15 0.00 0.00 0.00 0.00 53.44 53.42 3df4 n ALA 24 Cb 0.51 -2.49 0.01 0.00 0.00 0.00 0.00 19.45 17.48 3df4 n ALA 24 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3df4 n THR 25 N 4.55 -0.05 -0.86 0.00 -2.24 -1.26 -4.92 114.28 109.51 3df4 n THR 25 Ca 0.20 -3.58 -0.40 0.00 -2.27 0.00 0.00 64.05 57.99 3df4 n THR 25 Cb 0.32 0.31 -0.08 0.00 -2.10 0.00 0.00 70.33 68.77 3df4 n THR 25 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3df4 n LYS 26 N 0.26 0.00 0.00 -0.78 4.76 -1.25 -2.73 118.16 118.42 3df4 n LYS 26 Ca 0.18 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.62 3df4 n LYS 26 Cb 0.69 -0.99 0.00 0.00 -1.84 0.00 0.00 35.03 32.88 3df4 n LYS 26 CO 0.00 0.00 0.00 2.89 -1.37 0.00 0.00 177.40 178.92 3df4 n ARG 27 N 4.75 2.69 -3.64 1.97 1.85 0.52 -4.92 116.66 119.88 3df4 n ARG 27 Ca 0.35 0.00 -0.04 0.00 -1.00 0.00 0.00 57.85 57.16 3df4 n ARG 27 Cb -0.03 0.00 -0.06 0.00 -1.05 0.00 0.00 32.46 31.32 3df4 n ARG 27 CO 0.00 0.00 0.00 -0.98 -0.01 0.00 0.00 177.63 176.64 3df4 s ARG 28 N 4.90 0.17 -0.33 2.89 1.70 -1.26 -3.55 118.95 123.46 3df4 s ARG 28 Ca 0.00 0.14 -0.02 0.00 -0.47 0.00 0.00 55.73 55.38 3df4 s ARG 28 Cb 0.00 0.08 0.07 0.00 -0.57 0.00 0.00 34.95 34.53 3df4 s ARG 28 CO 0.00 -0.03 0.06 -0.06 -1.08 0.00 0.00 175.30 174.19 3df4 s PHE 29 N -0.31 3.37 0.04 5.89 0.40 0.25 -4.93 117.98 122.69 3df4 s PHE 29 Ca 0.06 -2.03 -0.12 0.00 -0.60 0.00 0.00 56.93 54.24 3df4 s PHE 29 Cb -0.04 -2.44 -0.06 0.00 0.51 0.00 0.00 43.02 41.00 3df4 s PHE 29 CO -0.11 -0.85 0.40 -0.48 0.70 0.00 0.00 175.22 174.88 3df4 s LEU 30 N 1.22 4.41 1.10 -0.37 2.34 -1.26 -1.85 118.68 124.26 3df4 s LEU 30 Ca -0.01 0.87 -0.18 0.00 0.06 0.00 0.00 54.13 54.87 3df4 s LEU 30 Cb -0.20 -2.77 0.09 0.00 -0.56 0.00 0.00 46.19 42.75 3df4 s LEU 30 CO -0.02 0.25 0.03 -2.65 -1.06 0.00 0.00 176.35 172.91 3df4 n PRO 31 N 1.38 -1.44 0.08 1.48 -0.02 -1.26 -4.97 135.00 130.24 3df4 n PRO 31 Ca -0.11 -0.40 -0.04 0.00 -2.02 0.00 0.00 63.50 60.93 3df4 n PRO 31 Cb 0.52 -1.71 -0.02 0.00 -0.02 0.00 0.00 33.50 32.28 3df4 n PRO 31 CO 0.00 0.00 0.00 -0.97 1.98 0.00 0.00 175.50 176.51 3df4 h ASN 32 N -2.00 -0.21 -3.18 2.55 -0.73 -1.94 -3.50 115.58 106.56 3df4 h ASN 32 Ca -0.52 0.01 0.09 0.00 1.87 0.00 0.00 56.30 57.74 3df4 h ASN 32 Cb 1.35 0.05 -0.05 0.00 0.27 0.00 0.00 38.32 39.95 3df4 h ASN 32 CO 0.38 -0.00 -0.80 0.18 -0.37 0.00 0.00 177.43 176.82 3df4 n LEU 33 N -3.51 -1.08 0.00 0.34 4.77 -1.26 -4.82 117.00 111.44 3df4 n LEU 33 Ca -0.03 2.01 0.00 0.00 -0.03 0.00 0.00 56.01 57.96 3df4 n LEU 33 Cb 0.10 -2.74 0.00 0.00 -2.33 0.00 0.00 43.42 38.45 3df4 n LEU 33 CO 0.07 -0.94 0.00 1.41 -1.33 0.00 0.00 177.39 176.61 3df4 n HIS 34 N -2.99 0.00 -1.57 -1.77 8.25 -0.24 -4.73 115.22 112.17 3df4 n HIS 34 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.44 3df4 n HIS 34 Cb 0.41 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.52 3df4 n HIS 34 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 3df4 n SER 35 N -0.06 -7.01 -4.57 0.41 3.41 -1.12 -4.92 113.62 99.76 3df4 n SER 35 Ca 0.00 0.98 -0.29 0.00 -0.26 0.00 0.00 58.87 59.29 3df4 n SER 35 Cb 0.00 -3.80 -0.09 0.00 -0.26 0.00 0.00 64.21 60.06 3df4 n SER 35 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 3df4 s HIS 36 N -0.59 2.00 -0.78 7.33 2.46 0.15 -4.85 115.29 121.00 3df4 s HIS 36 Ca 0.00 -0.96 0.02 0.00 0.47 0.00 0.00 55.06 54.59 3df4 s HIS 36 Cb 0.00 -1.52 0.19 0.00 -0.13 0.00 0.00 32.58 31.12 3df4 s HIS 36 CO 0.00 0.15 0.63 0.54 -2.47 0.00 0.00 174.74 173.58 3df4 n ARG 37 N -1.07 2.20 -2.54 2.88 5.12 -1.26 -1.70 116.66 120.30 3df4 n ARG 37 Ca -0.12 -4.50 -0.41 0.00 -1.93 0.00 0.00 57.85 50.89 3df4 n ARG 37 Cb 0.67 -2.34 -0.04 0.00 -1.16 0.00 0.00 32.46 29.59 3df4 n ARG 37 CO 0.00 0.00 0.00 -0.06 -1.93 0.00 0.00 177.63 175.64 3df4 s PHE 38 N -1.51 3.60 -0.69 -1.55 0.08 -0.91 -4.93 117.98 112.08 3df4 s PHE 38 Ca 0.27 1.59 -0.18 0.00 0.12 0.00 0.00 56.93 58.72 3df4 s PHE 38 Cb -0.04 -3.26 0.12 0.00 -0.57 0.00 0.00 43.02 39.27 3df4 s PHE 38 CO -0.14 -0.57 0.80 -0.46 -0.10 0.00 0.00 175.22 174.74 3df4 s TRP 39 N 0.01 3.11 0.57 0.36 -0.00 -1.26 -2.52 118.94 119.21 3df4 s TRP 39 Ca 0.50 -1.17 0.26 0.00 -0.00 0.00 0.00 56.10 55.70 3df4 s TRP 39 Cb -0.28 -4.05 1.60 0.00 -0.00 0.00 0.00 33.47 30.74 3df4 s TRP 39 CO 0.33 -1.30 2.14 -0.39 -0.00 0.00 0.00 176.95 177.73 3df4 h VAL 40 N 5.75 0.61 0.00 5.86 -1.51 -1.45 -3.45 116.25 122.06 3df4 h VAL 40 Ca -0.16 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.31 3df4 h VAL 40 Cb 1.07 0.90 0.00 0.00 -2.13 0.00 0.00 31.29 31.13 3df4 h VAL 40 CO 1.06 0.00 0.00 1.21 -1.23 0.00 0.00 177.57 178.61 3df4 n GLU 41 N -4.01 0.00 0.08 5.19 0.00 -1.26 -4.08 120.64 116.55 3df4 n GLU 41 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 57.16 57.03 3df4 n GLU 41 Cb 0.24 0.00 -0.06 0.00 0.00 0.00 0.00 31.44 31.62 3df4 n GLU 41 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 3df4 h SER 42 N 0.00 -1.18 0.30 4.31 4.64 -1.94 0.27 113.55 119.95 3df4 h SER 42 Ca 0.00 0.14 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 3df4 h SER 42 Cb 0.00 0.46 0.00 0.00 -0.31 0.00 0.00 62.40 62.55 3df4 h SER 42 CO 0.00 -0.45 0.00 1.21 -0.87 0.00 0.00 176.83 176.72 3df4 n GLU 43 N -5.45 0.45 -1.87 4.77 2.13 -1.26 -4.86 120.64 114.55 3df4 n GLU 43 Ca -0.06 0.05 -0.20 0.00 0.66 0.00 0.00 57.16 57.62 3df4 n GLU 43 Cb 0.36 -1.50 -0.06 0.00 0.27 0.00 0.00 31.44 30.52 3df4 n GLU 43 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 3df4 n LYS 44 N -1.20 -1.55 -4.29 5.31 3.00 0.95 -4.97 118.16 115.41 3df4 n LYS 44 Ca 0.13 1.08 -0.27 0.00 -0.00 0.00 0.00 58.31 59.25 3df4 n LYS 44 Cb 0.15 -5.55 -0.09 0.00 0.00 0.00 0.00 35.03 29.54 3df4 n LYS 44 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.40 177.90 3df4 s ARG 45 N -4.16 2.06 -0.66 1.64 3.52 -1.26 -4.87 118.95 115.22 3df4 s ARG 45 Ca 0.00 -1.27 0.00 0.00 -0.13 0.00 0.00 55.73 54.34 3df4 s ARG 45 Cb 0.00 -2.16 0.40 0.00 -1.56 0.00 0.00 34.95 31.63 3df4 s ARG 45 CO 0.00 0.43 1.75 1.19 -0.81 0.00 0.00 175.30 177.86 3df4 n PHE 46 N 0.04 3.11 -1.73 5.12 0.99 -1.26 -1.04 117.46 122.68 3df4 n PHE 46 Ca -0.11 -2.64 -0.62 0.00 -0.00 0.00 0.00 57.45 54.08 3df4 n PHE 46 Cb 0.55 -0.93 -0.08 0.00 -1.00 0.00 0.00 39.48 38.02 3df4 n PHE 46 CO 0.00 0.00 0.00 1.33 -0.00 0.00 0.00 176.76 178.09 3df4 n VAL 47 N -0.63 0.17 -3.39 -4.37 0.24 -1.05 -4.32 118.33 104.97 3df4 n VAL 47 Ca 0.52 -0.03 -0.40 0.00 -2.04 0.00 0.00 64.34 62.39 3df4 n VAL 47 Cb 0.50 -0.89 -0.09 0.00 -1.47 0.00 0.00 33.84 31.88 3df4 n VAL 47 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 3df4 s THR 48 N 3.30 5.17 0.01 3.34 -1.32 -1.26 -2.13 115.64 122.75 3df4 s THR 48 Ca 1.01 0.33 0.06 0.00 -1.21 0.00 0.00 61.69 61.88 3df4 s THR 48 Cb -1.27 -3.76 -0.03 0.00 -1.51 0.00 0.00 72.50 65.94 3df4 s THR 48 CO 0.73 0.04 -0.18 -0.76 -2.21 0.00 0.00 174.62 172.24 3df4 s LEU 49 N 2.06 2.60 -1.46 9.08 1.43 -0.69 -4.89 118.68 126.82 3df4 s LEU 49 Ca 0.14 -0.37 -0.13 0.00 -1.03 0.00 0.00 54.13 52.74 3df4 s LEU 49 Cb -0.16 -1.52 -0.02 0.00 0.03 0.00 0.00 46.19 44.52 3df4 s LEU 49 CO 0.11 0.28 2.46 -1.14 0.23 0.00 0.00 176.35 178.30 3df4 n ARG 50 N 1.80 3.04 -2.57 1.70 3.00 -1.26 0.31 116.66 122.67 3df4 n ARG 50 Ca -0.16 -2.37 -0.32 0.00 -0.00 0.00 0.00 57.85 55.00 3df4 n ARG 50 Cb 0.52 -3.06 -0.04 0.00 0.00 0.00 0.00 32.46 29.87 3df4 n ARG 50 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 3df4 s VAL 51 N 2.96 4.52 0.10 5.15 1.01 -1.26 -4.31 120.40 128.57 3df4 s VAL 51 Ca 0.55 1.23 0.04 0.00 0.00 0.00 0.00 61.98 63.81 3df4 s VAL 51 Cb 0.15 -3.69 -0.04 0.00 0.00 0.00 0.00 36.38 32.81 3df4 s VAL 51 CO -0.06 -0.56 0.03 -0.94 0.00 0.00 0.00 175.10 173.57 3df4 s SER 52 N -2.81 5.20 0.74 3.32 1.04 -1.26 -1.08 113.70 118.85 3df4 s SER 52 Ca 0.59 -0.14 -0.17 0.00 0.48 0.00 0.00 55.95 56.71 3df4 s SER 52 Cb -0.10 -1.29 -0.11 0.00 0.10 0.00 0.00 66.02 64.62 3df4 s SER 52 CO 0.26 0.16 -0.16 0.00 0.98 0.00 0.00 173.24 174.48 3df4 n ALA 53 N 0.42 -3.45 0.00 5.32 0.00 -1.26 -0.79 120.51 120.74 3df4 n ALA 53 Ca -0.10 -0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.01 3df4 n ALA 53 Cb 0.52 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.52 3df4 n ALA 53 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3df4 n LYS 54 N 1.10 0.00 0.30 0.00 0.00 -1.26 -4.22 118.16 114.09 3df4 n LYS 54 Ca 0.05 0.00 0.18 0.00 0.00 0.00 0.00 58.31 58.54 3df4 n LYS 54 Cb 0.51 -0.06 0.94 0.00 0.00 0.00 0.00 35.03 36.42 3df4 n LYS 54 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.40 178.18 3df4 h GLY 55 N 0.00 0.00 0.72 3.14 0.00 -1.38 0.47 103.07 106.02 3df4 h GLY 55 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.16 3df4 h GLY 55 CO 0.00 0.00 -0.70 -0.33 0.00 0.00 0.00 176.54 175.51 3df4 h MET 56 N 0.00 0.34 -0.58 4.80 2.86 -1.60 -3.10 114.93 117.64 3df4 h MET 56 Ca 0.00 -0.47 0.17 0.00 -2.06 0.00 0.00 59.70 57.34 3df4 h MET 56 Cb 0.27 0.16 -0.02 0.00 0.06 0.00 0.00 31.60 32.07 3df4 h MET 56 CO 0.00 1.17 0.66 0.00 1.06 0.00 0.00 176.91 179.81 3df4 h ARG 57 N -0.27 0.00 0.62 1.72 3.08 -0.38 0.17 114.38 119.32 3df4 h ARG 57 Ca -0.11 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 59.91 3df4 h ARG 57 Cb 1.48 0.00 0.01 0.00 0.08 0.00 0.00 29.97 31.54 3df4 h ARG 57 CO 0.13 0.00 -0.30 0.28 -1.07 0.00 0.00 179.97 179.01 3df4 h VAL 58 N 0.00 0.14 -0.73 2.04 2.07 -1.40 -1.49 116.25 116.89 3df4 h VAL 58 Ca 0.28 -0.36 0.14 0.00 0.82 0.00 0.00 66.70 67.58 3df4 h VAL 58 Cb 1.60 0.20 -0.05 0.00 -1.52 0.00 0.00 31.29 31.52 3df4 h VAL 58 CO -0.00 0.02 0.49 0.40 0.02 0.00 0.00 177.57 178.49 3df4 h ILE 59 N -1.15 0.82 -0.20 4.57 1.08 -0.80 2.10 117.51 123.93 3df4 h ILE 59 Ca -0.09 -0.14 0.00 0.00 -0.39 0.00 0.00 64.86 64.24 3df4 h ILE 59 Cb 0.68 0.36 0.00 0.00 -3.07 0.00 0.00 36.82 34.79 3df4 h ILE 59 CO 0.14 0.08 0.00 0.47 -0.69 0.00 0.00 178.15 178.15 3df4 n ASP 60 N -4.48 1.09 0.02 1.72 8.00 -0.39 -2.77 116.55 119.74 3df4 n ASP 60 Ca 0.13 -2.01 0.00 0.00 0.71 0.00 0.00 54.79 53.63 3df4 n ASP 60 Cb 0.50 -0.14 0.00 0.00 -0.02 0.00 0.00 41.12 41.45 3df4 n ASP 60 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 3df4 n LYS 61 N 0.08 0.00 0.00 -1.24 0.00 0.23 -4.84 118.16 112.39 3df4 n LYS 61 Ca 0.07 0.00 0.14 0.00 0.00 0.00 0.00 58.31 58.52 3df4 n LYS 61 Cb 0.18 0.00 0.68 0.00 0.00 0.00 0.00 35.03 35.88 3df4 n LYS 61 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 3df4 n LYS 62 N -2.62 0.44 0.00 1.64 4.81 0.65 -5.00 118.16 118.08 3df4 n LYS 62 Ca 0.00 -0.07 0.00 0.00 -0.87 0.00 0.00 58.31 57.37 3df4 n LYS 62 Cb 0.00 -1.50 0.00 0.00 0.02 0.00 0.00 35.03 33.55 3df4 n LYS 62 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3df4 n GLY 63 N 1.32 2.55 0.00 3.14 0.00 -1.17 -4.60 105.19 106.41 3df4 n GLY 63 Ca 0.13 -1.57 0.00 0.00 0.00 0.00 0.00 46.02 44.58 3df4 n GLY 63 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3df4 n ILE 64 N 1.38 0.00 0.02 -0.61 -0.00 -1.11 -1.94 119.36 117.09 3df4 n ILE 64 Ca 0.00 0.69 0.01 0.00 -0.00 0.00 0.00 62.75 63.45 3df4 n ILE 64 Cb 0.00 -1.40 0.05 0.00 -0.00 0.00 0.00 39.64 38.29 3df4 n ILE 64 CO 0.00 0.00 0.00 -0.90 -0.00 0.00 0.00 176.55 175.65 3df4 n ASP 65 N -1.25 0.05 -0.03 4.38 3.85 -1.26 0.69 116.55 122.98 3df4 n ASP 65 Ca 0.00 0.51 -0.15 0.00 -0.71 0.00 0.00 54.79 54.44 3df4 n ASP 65 Cb 0.00 -0.52 -0.11 0.00 -1.35 0.00 0.00 41.12 39.14 3df4 n ASP 65 CO 0.00 0.00 0.00 0.74 -1.01 0.00 0.00 177.20 176.93 3df4 h THR 66 N 0.00 1.56 0.12 2.12 2.02 -1.83 0.16 112.91 117.06 3df4 h THR 66 Ca 0.00 -1.94 -0.01 0.00 0.77 0.00 0.00 66.41 65.23 3df4 h THR 66 Cb 0.02 2.79 0.00 0.00 -1.74 0.00 0.00 68.15 69.23 3df4 h THR 66 CO 0.00 0.53 -0.06 0.58 0.37 0.00 0.00 175.52 176.94 3df4 h VAL 67 N -0.54 1.06 -0.89 3.16 2.07 0.08 -2.78 116.25 118.40 3df4 h VAL 67 Ca -0.03 -1.10 0.25 0.00 0.82 0.00 0.00 66.70 66.64 3df4 h VAL 67 Cb 0.98 1.71 -0.04 0.00 -1.52 0.00 0.00 31.29 32.42 3df4 h VAL 67 CO 0.04 0.25 0.63 -0.07 0.02 0.00 0.00 177.57 178.44 3df4 h LEU 68 N -0.72 0.09 0.17 2.57 3.38 0.16 0.15 115.31 121.12 3df4 h LEU 68 Ca -0.02 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3df4 h LEU 68 Cb 0.53 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.27 3df4 h LEU 68 CO 0.03 0.03 -0.14 0.00 0.09 0.00 0.00 178.44 178.45 3df4 h ALA 69 N 1.57 -0.92 -3.12 1.53 0.00 -0.41 -3.26 119.26 114.65 3df4 h ALA 69 Ca 0.44 -0.06 -0.25 0.00 0.00 0.00 0.00 54.91 55.04 3df4 h ALA 69 Cb 1.59 0.32 0.13 0.00 0.00 0.00 0.00 17.79 19.84 3df4 h ALA 69 CO -0.05 -0.92 -0.01 -0.85 0.00 0.00 0.00 179.25 177.42 3df4 n GLU 70 N -3.10 -3.11 0.00 0.00 0.28 0.53 -2.61 120.64 112.63 3df4 n GLU 70 Ca -0.04 -1.05 0.00 0.00 -0.16 0.00 0.00 57.16 55.91 3df4 n GLU 70 Cb 0.13 -1.15 0.00 0.00 1.43 0.00 0.00 31.44 31.85 3df4 n GLU 70 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 177.13 176.86 3df4 n LEU 71 N 0.00 0.00 0.10 -1.84 -0.00 -1.25 -4.07 117.00 109.94 3df4 n LEU 71 Ca 0.09 0.00 0.10 0.00 -0.00 0.00 0.00 56.01 56.20 3df4 n LEU 71 Cb 0.39 0.00 -0.01 0.00 -0.00 0.00 0.00 43.42 43.80 3df4 n LEU 71 CO 0.26 0.00 -0.01 -0.09 -0.00 0.00 0.00 177.39 177.55 3df4 h ARG 72 N 0.00 0.00 0.13 1.96 2.43 -1.54 0.21 114.38 117.56 3df4 h ARG 72 Ca 0.00 0.00 -0.30 0.00 -0.81 0.00 0.00 59.98 58.87 3df4 h ARG 72 Cb 0.00 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.55 3df4 h ARG 72 CO 0.00 0.04 -1.50 0.00 -1.51 0.00 0.00 179.97 177.01 3df4 h ALA 73 N 1.91 0.23 0.00 2.80 0.00 -1.64 -3.22 119.26 119.34 3df4 h ALA 73 Ca -0.02 -1.07 0.00 0.00 0.00 0.00 0.00 54.91 53.81 3df4 h ALA 73 Cb 1.09 0.24 0.00 0.00 0.00 0.00 0.00 17.79 19.12 3df4 h ALA 73 CO 0.01 1.10 0.00 0.07 0.00 0.00 0.00 179.25 180.43 3df4 h ARG 74 N 0.07 0.00 0.00 0.00 0.11 -1.88 -3.46 114.38 109.22 3df4 h ARG 74 Ca -0.23 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.85 3df4 h ARG 74 Cb 2.02 0.00 0.00 0.00 1.11 0.00 0.00 29.97 33.10 3df4 h ARG 74 CO 0.17 0.00 0.00 0.41 0.10 0.00 0.00 179.97 180.65 3df4 n GLY 75 N -0.06 1.08 3.89 0.08 0.00 -1.17 -5.03 105.19 103.98 3df4 n GLY 75 Ca 0.00 -0.17 -0.30 0.00 0.00 0.00 0.00 46.02 45.55 3df4 n GLY 75 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3df4 s GLU 76 N -0.59 3.14 0.00 1.61 2.12 0.72 -5.01 118.70 120.69 3df4 s GLU 76 Ca 0.00 0.45 0.00 0.00 0.36 0.00 0.00 54.97 55.78 3df4 s GLU 76 Cb 0.00 -2.11 0.00 0.00 0.26 0.00 0.00 34.13 32.28 3df4 s GLU 76 CO 0.00 -0.78 0.47 0.36 -0.54 0.00 0.00 175.26 174.77 3df4 n LYS 77 N -2.81 0.00 -0.79 4.30 2.85 -1.26 -4.65 118.16 115.80 3df4 n LYS 77 Ca 0.06 0.47 0.00 0.00 -1.05 0.00 0.00 58.31 57.79 3df4 n LYS 77 Cb 0.56 -0.92 0.00 0.00 -0.65 0.00 0.00 35.03 34.02 3df4 n LYS 77 CO 0.00 0.00 0.00 0.98 -0.05 0.00 0.00 177.40 178.33