#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3df4 n LYS 2 N 0.00 0.00 0.00 0.03 5.02 -1.26 -4.06 118.16 117.89 3df4 n LYS 2 Ca 0.00 0.00 0.12 0.00 -2.02 0.00 0.00 58.31 56.41 3df4 n LYS 2 Cb 0.00 0.00 0.61 0.00 -0.02 0.00 0.00 35.03 35.62 3df4 n LYS 2 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3df4 n ALA 3 N -3.00 2.24 -0.11 7.82 0.00 -1.26 -3.44 120.51 122.76 3df4 n ALA 3 Ca 0.00 -0.11 0.23 0.00 0.00 0.00 0.00 53.44 53.56 3df4 n ALA 3 Cb 0.00 -1.41 0.67 0.00 0.00 0.00 0.00 19.45 18.71 3df4 n ALA 3 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 3df4 h LYS 4 N 0.00 0.08 0.00 0.00 3.64 -2.07 0.81 116.57 119.03 3df4 h LYS 4 Ca 0.00 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3df4 h LYS 4 Cb 0.27 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.07 3df4 h LYS 4 CO 0.00 0.05 0.00 0.93 -2.27 0.00 0.00 179.45 178.16 3df4 h GLU 5 N 0.08 0.00 -7.40 1.90 4.39 -1.70 -3.44 114.58 108.41 3df4 h GLU 5 Ca 0.35 0.00 -0.46 0.00 0.34 0.00 0.00 59.36 59.60 3df4 h GLU 5 Cb 1.29 0.00 0.15 0.00 -0.10 0.00 0.00 28.75 30.09 3df4 h GLU 5 CO -0.03 0.00 0.24 -0.51 -1.16 0.00 0.00 179.01 177.54 3df4 s LEU 6 N -4.87 1.79 0.00 1.33 2.01 0.28 -3.35 118.68 115.87 3df4 s LEU 6 Ca 0.07 1.12 0.00 0.00 0.01 0.00 0.00 54.13 55.33 3df4 s LEU 6 Cb 0.10 -3.38 0.00 0.00 0.01 0.00 0.00 46.19 42.92 3df4 s LEU 6 CO 0.51 -2.89 0.00 -1.14 1.01 0.00 0.00 176.35 173.85 3df4 n ARG 7 N -4.00 0.00 -0.28 1.70 3.00 -1.26 -4.67 116.66 111.15 3df4 n ARG 7 Ca 0.06 0.00 0.01 0.00 -0.00 0.00 0.00 57.85 57.92 3df4 n ARG 7 Cb 0.58 -2.75 0.14 0.00 0.00 0.00 0.00 32.46 30.43 3df4 n ARG 7 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.63 178.56 3df4 h GLU 8 N 0.24 0.77 -2.36 -0.14 4.39 -1.84 -3.49 114.58 112.15 3df4 h GLU 8 Ca 0.00 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.65 3df4 h GLU 8 Cb 0.00 -0.17 0.00 0.00 -0.10 0.00 0.00 28.75 28.48 3df4 h GLU 8 CO 0.00 0.51 -0.59 1.63 -1.16 0.00 0.00 179.01 179.40 3df4 n LYS 9 N -4.74 -2.79 0.00 2.33 4.01 -1.26 -3.88 118.16 111.83 3df4 n LYS 9 Ca 0.12 2.11 0.00 0.00 -0.51 0.00 0.00 58.31 60.03 3df4 n LYS 9 Cb 0.23 -2.47 0.00 0.00 -0.51 0.00 0.00 35.03 32.28 3df4 n LYS 9 CO 0.00 0.00 0.00 -1.13 -1.11 0.00 0.00 177.40 175.16 3df4 n SER 10 N -1.40 0.00 -0.18 4.39 3.41 -1.26 -1.30 113.62 117.27 3df4 n SER 10 Ca 0.00 0.00 -0.05 0.00 -0.26 0.00 0.00 58.87 58.56 3df4 n SER 10 Cb 0.11 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.02 3df4 n SER 10 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 3df4 n VAL 11 N -0.41 -0.30 0.00 -3.33 0.31 -1.26 0.17 118.33 113.51 3df4 n VAL 11 Ca 0.00 1.82 0.00 0.00 -0.01 0.00 0.00 64.34 66.15 3df4 n VAL 11 Cb 0.00 -2.33 0.00 0.00 -0.91 0.00 0.00 33.84 30.60 3df4 n VAL 11 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3df4 n GLU 12 N -3.98 0.00 -0.13 5.55 1.02 -0.42 -2.68 120.64 120.00 3df4 n GLU 12 Ca 0.01 0.35 -0.25 0.00 -0.02 0.00 0.00 57.16 57.25 3df4 n GLU 12 Cb 0.11 -1.52 -0.08 0.00 -0.02 0.00 0.00 31.44 29.93 3df4 n GLU 12 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3df4 n GLU 13 N -1.34 0.56 -0.37 3.49 -0.58 0.44 -3.99 120.64 118.86 3df4 n GLU 13 Ca 0.00 0.24 0.28 0.00 -0.42 0.00 0.00 57.16 57.26 3df4 n GLU 13 Cb 0.02 -1.45 0.54 0.00 -0.57 0.00 0.00 31.44 29.98 3df4 n GLU 13 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 3df4 h LEU 14 N -0.97 0.41 -0.25 -4.62 -0.00 -0.33 0.76 115.31 110.29 3df4 h LEU 14 Ca -0.55 0.15 -0.21 0.00 -0.00 0.00 0.00 57.88 57.27 3df4 h LEU 14 Cb 1.48 0.11 -0.01 0.00 -0.00 0.00 0.00 40.66 42.24 3df4 h LEU 14 CO -0.33 -0.11 -0.89 -0.55 -0.00 0.00 0.00 178.44 176.56 3df4 h ASN 15 N 0.26 0.37 0.00 -0.43 7.08 -1.79 -3.04 115.58 118.03 3df4 h ASN 15 Ca 0.73 -0.30 0.00 0.00 -3.08 0.00 0.00 56.30 53.66 3df4 h ASN 15 Cb 1.94 -0.11 0.00 0.00 -2.08 0.00 0.00 38.32 38.07 3df4 h ASN 15 CO -0.48 1.09 0.00 0.41 -2.08 0.00 0.00 177.43 176.37 3df4 n THR 16 N -3.70 0.00 -0.34 6.14 -1.04 0.26 -2.17 114.28 113.43 3df4 n THR 16 Ca -0.05 1.16 0.27 0.00 -2.04 0.00 0.00 64.05 63.39 3df4 n THR 16 Cb 0.81 -2.01 0.57 0.00 -1.82 0.00 0.00 70.33 67.88 3df4 n THR 16 CO 0.00 0.00 0.00 1.05 -0.64 0.00 0.00 175.07 175.48 3df4 h GLU 17 N 0.00 0.27 -0.53 -2.82 -0.00 -1.67 0.16 114.58 109.99 3df4 h GLU 17 Ca 0.00 -0.02 0.10 0.00 -0.00 0.00 0.00 59.36 59.45 3df4 h GLU 17 Cb 0.00 -0.06 -0.11 0.00 -0.00 0.00 0.00 28.75 28.58 3df4 h GLU 17 CO 0.00 0.18 -0.24 1.25 -0.00 0.00 0.00 179.01 180.20 3df4 h LEU 18 N 0.27 -0.83 -0.68 3.06 7.12 -1.35 0.17 115.31 123.08 3df4 h LEU 18 Ca 0.63 0.19 0.01 0.00 0.13 0.00 0.00 57.88 58.84 3df4 h LEU 18 Cb 1.82 0.45 -0.04 0.00 -0.53 0.00 0.00 40.66 42.36 3df4 h LEU 18 CO -0.27 -0.26 0.44 -0.07 -0.13 0.00 0.00 178.44 178.16 3df4 h LEU 19 N -0.12 0.76 -0.03 2.25 4.07 -0.16 0.08 115.31 122.16 3df4 h LEU 19 Ca 0.24 -0.02 0.01 0.00 0.08 0.00 0.00 57.88 58.20 3df4 h LEU 19 Cb 0.49 -0.19 -0.03 0.00 1.08 0.00 0.00 40.66 42.02 3df4 h LEU 19 CO -0.60 0.55 -0.29 0.78 -1.08 0.00 0.00 178.44 177.80 3df4 h ASN 20 N 0.90 -0.89 0.41 -0.43 -0.26 -0.54 -3.14 115.58 111.62 3df4 h ASN 20 Ca 0.25 0.10 -0.02 0.00 -0.56 0.00 0.00 56.30 56.08 3df4 h ASN 20 Cb -0.08 0.34 0.00 0.00 -1.06 0.00 0.00 38.32 37.52 3df4 h ASN 20 CO -0.06 -0.27 -0.21 0.17 -1.06 0.00 0.00 177.43 176.00 3df4 h LEU 21 N -0.33 -0.50 -8.81 1.61 -0.00 -1.25 0.88 115.31 106.91 3df4 h LEU 21 Ca 0.01 0.02 -0.71 0.00 -0.00 0.00 0.00 57.88 57.20 3df4 h LEU 21 Cb 0.37 0.13 -0.00 0.00 -0.00 0.00 0.00 40.66 41.16 3df4 h LEU 21 CO -0.21 -0.34 1.15 -0.11 -0.00 0.00 0.00 178.44 178.93 3df4 n LEU 22 N -3.56 2.18 0.00 0.17 7.94 0.01 -0.90 117.00 122.84 3df4 n LEU 22 Ca -0.07 0.78 0.00 0.00 -1.11 0.00 0.00 56.01 55.62 3df4 n LEU 22 Cb 0.22 -1.17 0.00 0.00 0.53 0.00 0.00 43.42 43.00 3df4 n LEU 22 CO 0.17 -0.55 0.00 0.54 -1.11 0.00 0.00 177.39 176.43 3df4 n ARG 23 N 6.72 0.00 -0.32 1.96 5.12 -1.26 -4.25 116.66 124.62 3df4 n ARG 23 Ca 0.35 0.00 0.21 0.00 -1.93 0.00 0.00 57.85 56.47 3df4 n ARG 23 Cb 0.16 0.00 0.41 0.00 -1.16 0.00 0.00 32.46 31.86 3df4 n ARG 23 CO 0.00 0.00 0.00 0.93 -1.93 0.00 0.00 177.63 176.63 3df4 h GLU 24 N 0.00 0.12 0.00 5.56 4.39 -1.59 2.29 114.58 125.35 3df4 h GLU 24 Ca 0.00 -0.01 -0.37 0.00 0.34 0.00 0.00 59.36 59.32 3df4 h GLU 24 Cb 0.00 -0.03 -0.07 0.00 -0.10 0.00 0.00 28.75 28.55 3df4 h GLU 24 CO 0.00 0.08 -2.40 0.94 -1.16 0.00 0.00 179.01 176.47 3df4 n GLN 25 N -5.27 0.70 0.21 2.33 0.00 0.30 -4.10 117.38 111.56 3df4 n GLN 25 Ca 0.28 0.07 -0.12 0.00 -0.00 0.00 0.00 57.00 57.24 3df4 n GLN 25 Cb 0.93 -1.51 -0.07 0.00 0.00 0.00 0.00 30.24 29.59 3df4 n GLN 25 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.06 177.41 3df4 h PHE 26 N 0.00 -0.55 -0.95 3.69 3.04 0.01 -2.87 116.94 119.31 3df4 h PHE 26 Ca -0.55 -0.01 0.22 0.00 3.98 0.00 0.00 57.97 61.61 3df4 h PHE 26 Cb 2.04 0.18 -0.12 0.00 2.56 0.00 0.00 35.95 40.61 3df4 h PHE 26 CO 0.02 -0.24 0.52 -0.91 -2.02 0.00 0.00 178.31 175.67 3df4 h ASN 27 N -1.03 0.56 0.16 0.41 -0.26 0.36 -0.07 115.58 115.70 3df4 h ASN 27 Ca -0.06 0.13 0.02 0.00 -0.56 0.00 0.00 56.30 55.83 3df4 h ASN 27 Cb 0.55 0.06 -0.04 0.00 -1.06 0.00 0.00 38.32 37.83 3df4 h ASN 27 CO 0.10 0.10 -0.38 -0.07 -1.06 0.00 0.00 177.43 176.11 3df4 h LEU 28 N 0.54 -1.10 -0.52 1.61 -0.00 -1.54 0.87 115.31 115.16 3df4 h LEU 28 Ca 0.60 0.12 0.10 0.00 -0.00 0.00 0.00 57.88 58.70 3df4 h LEU 28 Cb 1.09 0.41 -0.10 0.00 -0.00 0.00 0.00 40.66 42.06 3df4 h LEU 28 CO -0.47 -0.47 -0.23 0.03 -0.00 0.00 0.00 178.44 177.29 3df4 h ARG 29 N -0.64 -0.11 -0.04 1.13 3.08 -0.80 0.18 114.38 117.17 3df4 h ARG 29 Ca 0.02 0.01 0.01 0.00 0.07 0.00 0.00 59.98 60.09 3df4 h ARG 29 Cb 0.65 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.71 3df4 h ARG 29 CO -0.20 -0.07 -0.03 0.52 -1.07 0.00 0.00 179.97 179.12 3df4 h MET 30 N -0.11 -0.04 -0.24 0.04 2.86 -0.77 -1.09 114.93 115.58 3df4 h MET 30 Ca 0.24 0.00 0.07 0.00 -2.06 0.00 0.00 59.70 57.95 3df4 h MET 30 Cb 0.49 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.15 3df4 h MET 30 CO -0.59 -0.03 0.37 0.37 1.06 0.00 0.00 176.91 178.10 3df4 h GLN 31 N -0.04 0.00 0.26 1.72 4.15 0.29 0.59 115.11 122.07 3df4 h GLN 31 Ca 0.03 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.44 3df4 h GLN 31 Cb 0.08 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.77 3df4 h GLN 31 CO -0.07 0.00 -0.12 0.00 -1.93 0.00 0.00 178.83 176.71 3df4 h ALA 32 N 1.47 -0.48 0.00 3.38 0.00 0.59 -3.26 119.26 120.96 3df4 h ALA 32 Ca 0.11 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 3df4 h ALA 32 Cb 0.86 0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.78 3df4 h ALA 32 CO -0.00 -0.46 -0.03 0.00 0.00 0.00 0.00 179.25 178.76 3df4 h ALA 33 N -1.45 1.24 -0.34 0.00 0.00 -1.33 -0.96 119.26 116.41 3df4 h ALA 33 Ca -0.04 -0.03 -0.18 0.00 0.00 0.00 0.00 54.91 54.66 3df4 h ALA 33 Cb 0.26 -0.01 -0.11 0.00 0.00 0.00 0.00 17.79 17.94 3df4 h ALA 33 CO 0.06 0.04 0.23 0.43 0.00 0.00 0.00 179.25 180.01 3df4 n SER 34 N -3.47 3.44 0.00 0.00 7.64 0.16 -4.98 113.62 116.41 3df4 n SER 34 Ca -0.02 -2.57 0.00 0.00 1.01 0.00 0.00 58.87 57.29 3df4 n SER 34 Cb 0.14 -0.65 0.00 0.00 -1.01 0.00 0.00 64.21 62.70 3df4 n SER 34 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3df4 n GLY 35 N -0.02 2.77 3.08 0.23 0.00 -0.37 -4.86 105.19 106.03 3df4 n GLY 35 Ca 0.21 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.98 3df4 n GLY 35 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3df4 n GLN 36 N 13.27 0.00 -3.33 1.61 6.02 -1.26 -4.16 117.38 129.53 3df4 n GLN 36 Ca 0.00 0.00 -0.34 0.00 -0.01 0.00 0.00 57.00 56.65 3df4 n GLN 36 Cb 0.00 0.00 0.03 0.00 1.02 0.00 0.00 30.24 31.29 3df4 n GLN 36 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 3df4 n LEU 37 N 0.00 -2.12 -0.23 1.08 0.00 -1.25 -4.84 117.00 109.64 3df4 n LEU 37 Ca 0.00 -0.27 0.13 0.00 0.00 0.00 0.00 56.01 55.88 3df4 n LEU 37 Cb 0.00 -1.43 0.45 0.00 0.00 0.00 0.00 43.42 42.43 3df4 n LEU 37 CO 0.00 0.07 0.72 0.00 0.00 0.00 0.00 177.39 178.18 3df4 n GLN 38 N -0.51 0.85 -2.42 1.96 1.13 -1.26 -4.37 117.38 112.75 3df4 n GLN 38 Ca -0.11 -0.45 -0.41 0.00 -1.94 0.00 0.00 57.00 54.08 3df4 n GLN 38 Cb 0.62 -1.49 0.01 0.00 0.11 0.00 0.00 30.24 29.49 3df4 n GLN 38 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 3df4 n GLN 39 N -0.68 4.53 0.12 -1.09 1.13 -1.26 -4.80 117.38 115.33 3df4 n GLN 39 Ca 0.13 -3.97 -0.13 0.00 -1.94 0.00 0.00 57.00 51.10 3df4 n GLN 39 Cb 0.33 -2.64 -0.06 0.00 0.11 0.00 0.00 30.24 27.97 3df4 n GLN 39 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 3df4 h SER 40 N 4.96 -0.44 -1.47 1.08 4.64 -1.98 -1.89 113.55 118.45 3df4 h SER 40 Ca 0.49 0.05 0.43 0.00 -0.47 0.00 0.00 61.79 62.28 3df4 h SER 40 Cb 0.45 0.16 -0.07 0.00 -0.31 0.00 0.00 62.40 62.63 3df4 h SER 40 CO 1.42 -0.24 1.05 1.12 -0.87 0.00 0.00 176.83 179.31 3df4 h HIS 41 N -0.35 0.06 -0.41 4.77 2.07 -1.98 0.57 115.15 119.89 3df4 h HIS 41 Ca 0.01 0.00 0.08 0.00 -2.85 0.00 0.00 60.37 57.61 3df4 h HIS 41 Cb 0.34 -0.02 -0.07 0.00 2.57 0.00 0.00 27.41 30.23 3df4 h HIS 41 CO -0.15 -0.01 -0.01 -0.07 -3.07 0.00 0.00 177.93 174.62 3df4 h LEU 42 N 0.02 -0.19 -0.61 6.12 4.07 -1.68 0.36 115.31 123.40 3df4 h LEU 42 Ca 0.71 0.10 0.06 0.00 0.08 0.00 0.00 57.88 58.83 3df4 h LEU 42 Cb 2.78 0.18 -0.05 0.00 1.08 0.00 0.00 40.66 44.65 3df4 h LEU 42 CO -0.05 -0.06 0.32 -0.07 -1.08 0.00 0.00 178.44 177.51 3df4 h LEU 43 N 0.09 0.46 0.10 1.67 3.38 0.04 -1.71 115.31 119.34 3df4 h LEU 43 Ca 0.20 0.03 0.02 0.00 0.09 0.00 0.00 57.88 58.22 3df4 h LEU 43 Cb 0.29 -0.06 -0.05 0.00 0.09 0.00 0.00 40.66 40.94 3df4 h LEU 43 CO -0.34 0.30 -0.47 0.50 0.09 0.00 0.00 178.44 178.52 3df4 h LYS 44 N 0.60 -0.66 0.00 1.13 1.63 -0.69 -3.34 116.57 115.24 3df4 h LYS 44 Ca 0.27 0.05 0.00 0.00 -0.85 0.00 0.00 60.65 60.12 3df4 h LYS 44 Cb 0.18 0.15 0.00 0.00 -0.60 0.00 0.00 32.23 31.96 3df4 h LYS 44 CO -0.18 -0.44 0.00 1.04 -3.45 0.00 0.00 179.45 176.42 3df4 n GLN 45 N -5.48 1.26 0.00 1.90 6.02 0.10 -3.64 117.38 117.55 3df4 n GLN 45 Ca -0.07 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.92 3df4 n GLN 45 Cb 0.40 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.66 3df4 n GLN 45 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 3df4 n VAL 46 N -0.42 0.00 -0.08 5.09 0.31 -1.22 -3.36 118.33 118.65 3df4 n VAL 46 Ca 0.00 0.00 0.10 0.00 -0.01 0.00 0.00 64.34 64.43 3df4 n VAL 46 Cb 0.00 0.00 0.48 0.00 -0.91 0.00 0.00 33.84 33.41 3df4 n VAL 46 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 3df4 h ARG 47 N 0.00 0.44 -0.21 5.55 3.08 -1.71 0.44 114.38 121.98 3df4 h ARG 47 Ca 0.00 -0.03 -0.09 0.00 0.07 0.00 0.00 59.98 59.93 3df4 h ARG 47 Cb 0.00 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 29.95 3df4 h ARG 47 CO 0.00 0.29 -0.22 0.00 -1.07 0.00 0.00 179.97 178.97 3df4 h ARG 48 N 0.46 0.52 0.29 0.04 3.08 -1.62 -2.34 114.38 114.81 3df4 h ARG 48 Ca 0.26 -0.28 0.00 0.00 0.07 0.00 0.00 59.98 60.04 3df4 h ARG 48 Cb 0.43 0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.46 3df4 h ARG 48 CO -0.07 0.87 -0.39 -0.44 -1.07 0.00 0.00 179.97 178.86 3df4 h ASP 49 N 0.19 -1.08 -0.94 7.04 5.19 -1.02 -0.46 116.42 125.35 3df4 h ASP 49 Ca 0.03 0.10 0.28 0.00 -0.62 0.00 0.00 57.03 56.82 3df4 h ASP 49 Cb 0.78 0.38 -0.16 0.00 0.18 0.00 0.00 39.33 40.51 3df4 h ASP 49 CO 0.05 -0.51 0.26 0.58 -3.12 0.00 0.00 179.24 176.51 3df4 h VAL 50 N -0.73 0.19 0.00 -1.35 2.07 -0.24 0.71 116.25 116.90 3df4 h VAL 50 Ca -0.01 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.46 3df4 h VAL 50 Cb 0.69 0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.50 3df4 h VAL 50 CO -0.12 0.03 0.00 0.00 0.02 0.00 0.00 177.57 177.49 3df4 n ALA 51 N -2.71 -0.28 -0.36 1.67 0.00 -0.25 0.66 120.51 119.24 3df4 n ALA 51 Ca 0.25 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.71 3df4 n ALA 51 Cb 0.82 0.16 0.08 0.00 0.00 0.00 0.00 19.45 20.51 3df4 n ALA 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3df4 h ARG 52 N 0.00 -0.01 -0.17 0.00 3.08 -0.38 1.84 114.38 118.74 3df4 h ARG 52 Ca 0.00 0.00 0.05 0.00 0.07 0.00 0.00 59.98 60.10 3df4 h ARG 52 Cb 0.00 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.00 3df4 h ARG 52 CO 0.00 -0.01 -0.14 0.28 -1.07 0.00 0.00 179.97 179.03 3df4 h VAL 53 N -0.01 0.60 0.00 2.04 2.07 -0.58 0.97 116.25 121.35 3df4 h VAL 53 Ca 0.39 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.85 3df4 h VAL 53 Cb 0.65 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 31.01 3df4 h VAL 53 CO -0.98 0.00 -0.32 0.11 0.02 0.00 0.00 177.57 176.40 3df4 h LYS 54 N -0.15 0.00 0.50 1.57 1.57 0.47 -2.16 116.57 118.36 3df4 h LYS 54 Ca 0.11 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.86 3df4 h LYS 54 Cb 0.31 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.63 3df4 h LYS 54 CO -0.26 0.32 -0.24 1.15 -0.57 0.00 0.00 179.45 179.84 3df4 h THR 55 N 0.00 0.48 -3.17 -0.16 2.02 0.47 -3.23 112.91 109.32 3df4 h THR 55 Ca -0.00 -0.19 -0.34 0.00 0.77 0.00 0.00 66.41 66.65 3df4 h THR 55 Cb 0.57 0.57 0.16 0.00 -1.74 0.00 0.00 68.15 67.71 3df4 h THR 55 CO 0.04 0.03 0.16 0.18 0.37 0.00 0.00 175.52 176.30 3df4 n LEU 56 N -5.33 0.00 0.00 2.58 7.99 0.31 -3.16 117.00 119.40 3df4 n LEU 56 Ca -0.12 -1.03 0.00 0.00 -0.01 0.00 0.00 56.01 54.85 3df4 n LEU 56 Cb 0.30 -0.84 0.00 0.00 -0.11 0.00 0.00 43.42 42.77 3df4 n LEU 56 CO 0.35 -1.81 0.00 -0.11 -1.51 0.00 0.00 177.39 174.31 3df4 n LEU 57 N 0.00 0.00 0.00 2.23 7.94 -1.24 -4.53 117.00 121.41 3df4 n LEU 57 Ca 0.13 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.03 3df4 n LEU 57 Cb 0.49 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.44 3df4 n LEU 57 CO 0.34 0.00 0.07 -3.20 -1.11 0.00 0.00 177.39 173.50 3df4 n ASN 58 N 0.84 0.00 -0.30 1.96 4.05 -1.19 -3.05 115.26 117.57 3df4 n ASN 58 Ca 0.00 0.15 0.35 0.00 0.45 0.00 0.00 54.58 55.52 3df4 n ASN 58 Cb 0.00 0.00 0.72 0.00 1.23 0.00 0.00 39.78 41.73 3df4 n ASN 58 CO 0.00 0.00 0.00 1.05 -3.05 0.00 0.00 177.26 175.26 3df4 h GLU 59 N 0.00 0.00 -0.53 1.20 -0.00 -1.79 0.37 114.58 113.84 3df4 h GLU 59 Ca 0.00 0.00 0.11 0.00 -0.00 0.00 0.00 59.36 59.47 3df4 h GLU 59 Cb 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 28.75 28.65 3df4 h GLU 59 CO 0.00 0.00 -0.11 0.87 -0.00 0.00 0.00 179.01 179.77 3df4 h LYS 60 N 0.00 0.01 -6.26 1.06 1.79 -1.84 -3.41 116.57 107.92 3df4 h LYS 60 Ca 0.55 -0.00 -0.69 0.00 -2.18 0.00 0.00 60.65 58.34 3df4 h LYS 60 Cb 2.37 -0.00 0.05 0.00 -1.58 0.00 0.00 32.23 33.07 3df4 h LYS 60 CO -0.01 0.01 0.46 0.00 -1.08 0.00 0.00 179.45 178.84 3df4 n ALA 61 N -2.88 -1.01 0.00 3.86 0.00 0.13 -4.71 120.51 115.91 3df4 n ALA 61 Ca 0.05 0.51 0.00 0.00 0.00 0.00 0.00 53.44 54.01 3df4 n ALA 61 Cb 0.28 -2.07 0.00 0.00 0.00 0.00 0.00 19.45 17.66 3df4 n ALA 61 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3df4 n GLY 62 N 2.57 -0.49 0.00 0.00 0.00 -1.26 -5.04 105.19 100.97 3df4 n GLY 62 Ca 0.19 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 3df4 n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32