#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3df2 s VAL 2 N 0.00 0.88 0.55 0.00 1.01 -1.26 -5.13 120.40 116.46 3df2 s VAL 2 Ca 0.00 -1.53 -0.20 0.00 0.00 0.00 0.00 61.98 60.24 3df2 s VAL 2 Cb 0.00 -1.23 -0.06 0.00 0.00 0.00 0.00 36.38 35.09 3df2 s VAL 2 CO 0.00 -0.51 1.03 0.00 0.00 0.00 0.00 175.10 175.61 3df2 n GLN 3 N 0.74 1.11 0.00 2.72 10.64 -1.26 -4.91 117.38 126.43 3df2 n GLN 3 Ca -0.17 0.42 0.10 0.00 -1.83 0.00 0.00 57.00 55.51 3df2 n GLN 3 Cb 0.57 -2.20 0.03 0.00 -0.86 0.00 0.00 30.24 27.78 3df2 n GLN 3 CO 0.00 0.00 0.00 0.94 -1.83 0.00 0.00 177.06 176.17 3df2 n GLN 4 N -0.74 1.59 -3.75 2.61 7.27 -1.26 -4.98 117.38 118.11 3df2 n GLN 4 Ca 0.12 -1.17 -0.10 0.00 0.07 0.00 0.00 57.00 55.93 3df2 n GLN 4 Cb 0.45 -1.37 -0.06 0.00 2.41 0.00 0.00 30.24 31.68 3df2 n GLN 4 CO 0.00 0.00 0.00 -0.80 0.07 0.00 0.00 177.06 176.33 3df2 s ASN 5 N -1.98 -0.09 -0.55 1.69 0.02 -1.26 -5.12 114.94 107.65 3df2 s ASN 5 Ca 0.18 -0.50 -0.28 0.00 -1.02 0.00 0.00 52.86 51.24 3df2 s ASN 5 Cb 0.16 0.43 0.03 0.00 0.02 0.00 0.00 41.25 41.88 3df2 s ASN 5 CO 0.40 -0.83 1.23 -0.75 0.02 0.00 0.00 177.10 177.17 3df2 s LYS 6 N -3.84 3.52 -0.42 -0.60 2.20 -1.26 -4.94 119.74 114.40 3df2 s LYS 6 Ca 0.05 0.38 -0.34 0.00 -0.36 0.00 0.00 55.97 55.70 3df2 s LYS 6 Cb 0.03 -4.01 -0.12 0.00 -1.51 0.00 0.00 37.83 32.22 3df2 s LYS 6 CO -0.10 -1.66 2.25 -2.30 -0.36 0.00 0.00 175.35 173.18 3df2 n PRO 7 N 8.35 0.96 -1.52 4.03 -0.02 -1.26 -4.87 135.00 140.67 3df2 n PRO 7 Ca 0.10 0.23 -0.41 0.00 -2.02 0.00 0.00 63.50 61.40 3df2 n PRO 7 Cb 0.49 -2.45 0.01 0.00 -0.02 0.00 0.00 33.50 31.53 3df2 n PRO 7 CO 0.00 0.00 0.00 -2.37 1.98 0.00 0.00 175.50 175.11 3df2 n THR 8 N 7.28 2.13 -0.22 3.45 5.66 -1.26 -4.76 114.28 126.56 3df2 n THR 8 Ca 0.43 -0.50 0.11 0.00 -3.05 0.00 0.00 64.05 61.05 3df2 n THR 8 Cb 0.23 -0.79 0.40 0.00 -1.55 0.00 0.00 70.33 68.63 3df2 n THR 8 CO 0.00 0.00 0.00 0.08 -3.05 0.00 0.00 175.07 172.10 3df2 h ARG 9 N 1.04 0.62 -0.14 1.09 0.11 -2.00 -1.71 114.38 113.39 3df2 h ARG 9 Ca -0.42 -0.04 0.05 0.00 0.10 0.00 0.00 59.98 59.67 3df2 h ARG 9 Cb 1.38 -0.14 -0.06 0.00 1.11 0.00 0.00 29.97 32.25 3df2 h ARG 9 CO 0.53 0.41 -0.33 1.03 0.10 0.00 0.00 179.97 181.72 3df2 h SER 10 N 0.64 -1.03 -0.26 0.08 0.87 -2.01 -1.81 113.55 110.04 3df2 h SER 10 Ca 0.40 0.15 0.06 0.00 -1.23 0.00 0.00 61.79 61.17 3df2 h SER 10 Cb 0.64 0.43 -0.07 0.00 -0.44 0.00 0.00 62.40 62.97 3df2 h SER 10 CO -0.16 -0.36 -0.19 0.50 -0.53 0.00 0.00 176.83 176.08 3df2 h LYS 11 N -0.40 -0.18 -0.96 2.24 1.63 -1.66 -2.47 116.57 114.78 3df2 h LYS 11 Ca 0.10 0.01 0.14 0.00 -0.85 0.00 0.00 60.65 60.05 3df2 h LYS 11 Cb 0.55 0.04 -0.15 0.00 -0.60 0.00 0.00 32.23 32.07 3df2 h LYS 11 CO -0.36 -0.12 -0.40 -2.13 -3.45 0.00 0.00 179.45 172.99 3df2 n ARG 12 N -5.35 -0.26 -0.17 1.90 0.63 -0.71 -0.16 116.66 112.54 3df2 n ARG 12 Ca -0.00 1.48 -0.07 0.00 -0.92 0.00 0.00 57.85 58.33 3df2 n ARG 12 Cb 0.26 -2.19 0.02 0.00 0.45 0.00 0.00 32.46 31.00 3df2 n ARG 12 CO 0.00 0.00 0.00 0.78 -2.51 0.00 0.00 177.63 175.90 3df2 h GLY 13 N 0.00 0.73 0.08 5.14 0.00 -1.10 -2.29 103.07 105.63 3df2 h GLY 13 Ca 0.31 -0.32 0.15 0.00 0.00 0.00 0.00 47.33 47.47 3df2 h GLY 13 CO -0.95 0.30 0.27 -0.33 0.00 0.00 0.00 176.54 175.84 3df2 h MET 14 N 0.66 0.38 0.00 4.80 2.86 -0.23 0.56 114.93 123.96 3df2 h MET 14 Ca 0.18 -0.02 -0.06 0.00 -2.06 0.00 0.00 59.70 57.74 3df2 h MET 14 Cb 0.02 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 31.58 3df2 h MET 14 CO -0.03 0.25 -0.27 -0.09 1.06 0.00 0.00 176.91 177.83 3df2 h ARG 15 N 0.39 0.00 -0.78 1.72 2.43 -0.94 -2.32 114.38 114.89 3df2 h ARG 15 Ca 0.42 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.59 3df2 h ARG 15 Cb 0.66 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.21 3df2 h ARG 15 CO -0.43 0.27 0.00 0.54 -1.51 0.00 0.00 179.97 178.83 3df2 n ARG 16 N -3.72 3.08 0.08 0.20 1.74 0.19 -4.40 116.66 113.82 3df2 n ARG 16 Ca -0.01 -1.68 -0.03 0.00 -0.77 0.00 0.00 57.85 55.36 3df2 n ARG 16 Cb 0.37 -1.91 -0.01 0.00 -1.02 0.00 0.00 32.46 29.89 3df2 n ARG 16 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 3df2 h SER 17 N 2.13 -0.17 0.39 0.55 4.64 -0.79 -3.29 113.55 117.00 3df2 h SER 17 Ca 0.00 0.01 -0.08 0.00 -0.47 0.00 0.00 61.79 61.24 3df2 h SER 17 Cb 1.29 0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 63.41 3df2 h SER 17 CO 0.26 -0.09 -0.39 0.45 -0.87 0.00 0.00 176.83 176.19 3df2 h HIS 18 N -0.26 0.01 0.00 4.77 3.86 -1.82 -2.95 115.15 118.75 3df2 h HIS 18 Ca -0.02 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.19 3df2 h HIS 18 Cb 0.15 -0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.62 3df2 h HIS 18 CO 0.13 0.40 0.02 -0.25 0.86 0.00 0.00 177.93 179.09 3df2 n ASP 19 N -4.07 0.00 -4.78 2.45 10.43 -1.24 -4.66 116.55 114.67 3df2 n ASP 19 Ca -0.02 0.06 -0.32 0.00 2.57 0.00 0.00 54.79 57.08 3df2 n ASP 19 Cb 0.43 -0.06 0.06 0.00 1.84 0.00 0.00 41.12 43.39 3df2 n ASP 19 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3df2 s ALA 20 N -1.92 2.46 0.58 2.24 0.00 -1.12 -5.04 121.76 118.96 3df2 s ALA 20 Ca 0.00 0.32 -0.07 0.00 0.00 0.00 0.00 51.96 52.21 3df2 s ALA 20 Cb 0.00 -3.26 -0.01 0.00 0.00 0.00 0.00 23.12 19.85 3df2 s ALA 20 CO 0.00 -1.41 0.91 -0.51 0.00 0.00 0.00 175.76 174.75 3df2 s LEU 21 N -5.38 3.30 0.00 0.00 1.43 -1.26 -5.11 118.68 111.66 3df2 s LEU 21 Ca 0.62 0.89 0.00 0.00 -1.03 0.00 0.00 54.13 54.61 3df2 s LEU 21 Cb -0.17 -3.77 0.00 0.00 0.03 0.00 0.00 46.19 42.28 3df2 s LEU 21 CO 0.49 -0.95 0.00 1.07 0.23 0.00 0.00 176.35 177.20 3df2 n THR 22 N -2.56 0.00 0.00 5.49 5.66 -1.26 -5.15 114.28 116.45 3df2 n THR 22 Ca 0.04 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.04 3df2 n THR 22 Cb 0.56 -0.73 0.00 0.00 -1.55 0.00 0.00 70.33 68.62 3df2 n THR 22 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3df2 n ALA 23 N -3.00 0.00 0.00 1.79 0.00 -1.26 -5.08 120.51 112.96 3df2 n ALA 23 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3df2 n ALA 23 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3df2 n ALA 23 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 3df2 n VAL 24 N 0.00 0.00 -3.41 0.00 0.24 -1.26 -5.03 118.33 108.88 3df2 n VAL 24 Ca 0.00 -0.00 -0.25 0.00 -2.04 0.00 0.00 64.34 62.05 3df2 n VAL 24 Cb 0.00 0.78 0.02 0.00 -1.47 0.00 0.00 33.84 33.16 3df2 n VAL 24 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 3df2 n THR 25 N -0.01 -1.59 -0.83 3.34 -2.24 -1.26 -4.63 114.28 107.06 3df2 n THR 25 Ca 0.00 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 61.89 3df2 n THR 25 Cb 0.00 -2.61 -0.03 0.00 -2.10 0.00 0.00 70.33 65.59 3df2 n THR 25 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 3df2 n SER 26 N -2.51 -4.96 0.00 3.42 2.88 -1.26 -5.07 113.62 106.12 3df2 n SER 26 Ca -0.03 0.42 0.00 0.00 -1.33 0.00 0.00 58.87 57.94 3df2 n SER 26 Cb 0.56 -2.58 0.00 0.00 -0.75 0.00 0.00 64.21 61.44 3df2 n SER 26 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3df2 n LEU 27 N -3.11 0.00 -3.56 2.46 -0.00 -1.26 -4.97 117.00 106.56 3df2 n LEU 27 Ca -0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 56.01 55.92 3df2 n LEU 27 Cb 0.38 0.00 -0.04 0.00 -0.00 0.00 0.00 43.42 43.76 3df2 n LEU 27 CO 0.01 0.00 0.81 -0.55 -0.00 0.00 0.00 177.39 177.66 3df2 s SER 28 N 1.00 -0.31 0.24 1.45 0.15 -1.17 -4.81 113.70 110.25 3df2 s SER 28 Ca 0.00 0.21 0.10 0.00 0.70 0.00 0.00 55.95 56.96 3df2 s SER 28 Cb 0.00 0.28 -0.04 0.00 -1.71 0.00 0.00 66.02 64.55 3df2 s SER 28 CO 0.00 -0.38 -0.06 0.54 1.20 0.00 0.00 173.24 174.54 3df2 s VAL 29 N -1.83 3.23 0.63 4.45 0.11 -1.26 -1.40 120.40 124.34 3df2 s VAL 29 Ca 0.02 -1.88 -0.05 0.00 -2.93 0.00 0.00 61.98 57.14 3df2 s VAL 29 Cb -0.01 -2.68 0.03 0.00 -1.53 0.00 0.00 36.38 32.20 3df2 s VAL 29 CO -0.03 -0.28 0.93 -0.62 -3.33 0.00 0.00 175.10 171.77 3df2 s ASP 30 N -3.34 5.22 -0.24 3.54 3.68 0.07 -4.92 116.67 120.69 3df2 s ASP 30 Ca 0.29 0.51 -0.01 0.00 2.13 0.00 0.00 52.55 55.46 3df2 s ASP 30 Cb -0.07 -1.34 -0.18 0.00 -1.45 0.00 0.00 42.92 39.87 3df2 s ASP 30 CO 0.18 -1.30 -0.14 0.29 0.13 0.00 0.00 175.17 174.33 3df2 n LYS 31 N -2.69 0.66 0.14 4.34 5.02 -1.26 -4.34 118.16 120.03 3df2 n LYS 31 Ca 0.06 0.18 0.02 0.00 -2.02 0.00 0.00 58.31 56.55 3df2 n LYS 31 Cb 0.59 -1.55 0.35 0.00 -0.02 0.00 0.00 35.03 34.40 3df2 n LYS 31 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 3df2 h THR 32 N -0.09 1.23 -3.92 -0.18 2.02 -1.92 -3.44 112.91 106.62 3df2 h THR 32 Ca -0.56 -1.08 -0.14 0.00 0.77 0.00 0.00 66.41 65.40 3df2 h THR 32 Cb 1.89 1.47 -0.18 0.00 -1.74 0.00 0.00 68.15 69.59 3df2 h THR 32 CO -0.09 0.32 -0.59 -0.94 0.37 0.00 0.00 175.52 174.59 3df2 s SER 33 N -6.91 0.25 0.00 4.18 1.04 -1.26 -5.02 113.70 105.98 3df2 s SER 33 Ca -0.04 -0.61 -0.00 0.00 0.48 0.00 0.00 55.95 55.78 3df2 s SER 33 Cb 0.15 0.19 -0.01 0.00 0.10 0.00 0.00 66.02 66.45 3df2 s SER 33 CO 0.74 -0.48 1.79 0.61 0.98 0.00 0.00 173.24 176.88 3df2 n GLY 34 N 0.84 2.23 3.68 7.32 0.00 -1.26 -3.50 105.19 114.50 3df2 n GLY 34 Ca -0.19 -0.06 -0.43 0.00 0.00 0.00 0.00 46.02 45.34 3df2 n GLY 34 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3df2 s GLU 35 N 0.35 4.33 -1.03 1.61 0.41 -1.26 -4.81 118.70 118.30 3df2 s GLU 35 Ca 0.03 1.56 -0.19 0.00 -0.41 0.00 0.00 54.97 55.95 3df2 s GLU 35 Cb 0.02 -3.61 0.10 0.00 -1.78 0.00 0.00 34.13 28.86 3df2 s GLU 35 CO 0.00 -0.50 1.33 0.21 -0.49 0.00 0.00 175.26 175.81 3df2 s LYS 36 N 2.61 3.69 0.48 1.61 2.20 -1.26 -0.75 119.74 128.32 3df2 s LYS 36 Ca 0.52 -1.67 0.04 0.00 -0.36 0.00 0.00 55.97 54.50 3df2 s LYS 36 Cb -0.21 -5.14 0.04 0.00 -1.51 0.00 0.00 37.83 31.01 3df2 s LYS 36 CO 0.17 -1.96 0.35 -2.39 -0.36 0.00 0.00 175.35 171.15 3df2 n HIS 37 N 7.38 -0.61 -2.68 4.03 1.44 -0.49 -4.88 115.22 119.41 3df2 n HIS 37 Ca 0.31 -2.06 -0.29 0.00 -2.01 0.00 0.00 57.72 53.67 3df2 n HIS 37 Cb 0.49 -0.39 -0.01 0.00 0.12 0.00 0.00 29.99 30.19 3df2 n HIS 37 CO 0.00 0.00 0.00 -1.17 -2.81 0.00 0.00 176.34 172.36 3df2 s LEU 38 N 0.00 3.68 -0.12 2.39 0.20 -1.26 -3.04 118.68 120.53 3df2 s LEU 38 Ca 0.26 1.04 -0.29 0.00 0.69 0.00 0.00 54.13 55.83 3df2 s LEU 38 Cb -0.02 -3.97 -0.04 0.00 -0.43 0.00 0.00 46.19 41.73 3df2 s LEU 38 CO 0.17 -0.52 1.50 -0.13 -0.29 0.00 0.00 176.35 177.07 3df2 s ARG 39 N -4.41 4.14 0.00 1.98 0.52 -1.26 -3.50 118.95 116.43 3df2 s ARG 39 Ca 0.49 1.91 0.00 0.00 -0.52 0.00 0.00 55.73 57.61 3df2 s ARG 39 Cb -0.10 -3.91 0.00 0.00 0.52 0.00 0.00 34.95 31.46 3df2 s ARG 39 CO 0.40 -0.86 0.00 0.72 0.02 0.00 0.00 175.30 175.58 3df2 n HIS 40 N 7.13 0.00 -3.58 -0.53 8.25 -1.26 -5.06 115.22 120.17 3df2 n HIS 40 Ca 0.16 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.50 3df2 n HIS 40 Cb 0.44 -0.33 -0.06 0.00 1.12 0.00 0.00 29.99 31.16 3df2 n HIS 40 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 3df2 s HIS 41 N -2.00 -0.49 0.00 4.41 -3.43 -1.23 -5.14 115.29 107.42 3df2 s HIS 41 Ca 0.00 0.94 0.00 0.00 -0.80 0.00 0.00 55.06 55.20 3df2 s HIS 41 Cb 0.00 0.41 0.00 0.00 -1.43 0.00 0.00 32.58 31.56 3df2 s HIS 41 CO 0.00 -0.39 0.00 -0.89 -2.00 0.00 0.00 174.74 171.46 3df2 n ILE 42 N 1.18 0.00 -1.47 -5.38 2.08 -1.26 -4.31 119.36 110.20 3df2 n ILE 42 Ca -0.13 0.00 -0.02 0.00 0.56 0.00 0.00 62.75 63.16 3df2 n ILE 42 Cb 0.57 0.00 0.01 0.00 -0.75 0.00 0.00 39.64 39.48 3df2 n ILE 42 CO 0.00 0.00 0.00 0.35 0.56 0.00 0.00 176.55 177.46 3df2 n THR 43 N 0.00 0.00 1.78 1.39 -2.24 -1.02 -4.58 114.28 109.61 3df2 n THR 43 Ca 0.00 -0.10 0.08 0.00 -2.27 0.00 0.00 64.05 61.76 3df2 n THR 43 Cb 0.00 -1.75 0.42 0.00 -2.10 0.00 0.00 70.33 66.90 3df2 n THR 43 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3df2 n ALA 44 N -3.05 2.57 0.00 6.98 0.00 -1.26 -4.03 120.51 121.72 3df2 n ALA 44 Ca -0.02 -0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.21 3df2 n ALA 44 Cb 0.05 -1.20 0.00 0.00 0.00 0.00 0.00 19.45 18.30 3df2 n ALA 44 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3df2 n ASP 45 N -0.45 0.45 0.00 0.00 9.92 -1.26 -5.04 116.55 120.16 3df2 n ASP 45 Ca 0.12 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.38 3df2 n ASP 45 Cb 0.12 0.07 0.00 0.00 -0.64 0.00 0.00 41.12 40.68 3df2 n ASP 45 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3df2 n GLY 46 N 0.42 -0.93 0.00 0.44 0.00 -1.26 -3.05 105.19 100.82 3df2 n GLY 46 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3df2 n GLY 46 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3df2 n TYR 47 N 0.00 0.00 0.00 1.61 4.02 -1.26 -1.10 117.16 120.43 3df2 n TYR 47 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 3df2 n TYR 47 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.32 3df2 n TYR 47 CO 0.00 0.00 0.00 0.98 -1.01 0.00 0.00 176.86 176.83 3df2 n TYR 48 N 0.00 0.00 -2.13 -0.72 -0.00 -1.26 -2.45 117.16 110.60 3df2 n TYR 48 Ca 0.00 0.00 -0.32 0.00 -0.00 0.00 0.00 57.90 57.58 3df2 n TYR 48 Cb 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 39.34 39.36 3df2 n TYR 48 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.86 177.40 3df2 n ARG 49 N 0.00 3.12 0.00 2.98 1.74 -1.26 -4.60 116.66 118.64 3df2 n ARG 49 Ca 0.00 -4.00 0.00 0.00 -0.77 0.00 0.00 57.85 53.08 3df2 n ARG 49 Cb 0.00 -2.26 0.00 0.00 -1.02 0.00 0.00 32.46 29.18 3df2 n ARG 49 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3df2 n GLY 50 N -0.56 0.12 6.44 -0.13 0.00 -1.26 -5.00 105.19 104.79 3df2 n GLY 50 Ca 0.47 -1.91 0.00 0.00 0.00 0.00 0.00 46.02 44.58 3df2 n GLY 50 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3df2 n ARG 51 N 0.00 0.00 -1.61 1.61 1.85 -1.26 -4.68 116.66 112.57 3df2 n ARG 51 Ca 0.00 0.00 -0.04 0.00 -1.00 0.00 0.00 57.85 56.81 3df2 n ARG 51 Cb 0.00 0.00 0.02 0.00 -1.05 0.00 0.00 32.46 31.43 3df2 n ARG 51 CO 0.00 0.00 0.00 1.17 -0.01 0.00 0.00 177.63 178.79 3df2 n LYS 52 N 0.00 0.51 -1.59 2.89 0.00 -1.26 -4.69 118.16 114.02 3df2 n LYS 52 Ca 0.00 -0.90 -0.65 0.00 0.00 0.00 0.00 58.31 56.76 3df2 n LYS 52 Cb 0.00 0.43 -0.10 0.00 0.00 0.00 0.00 35.03 35.36 3df2 n LYS 52 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.40 178.73 3df2 n VAL 53 N -0.58 0.03 -1.56 3.15 0.24 -0.26 -3.77 118.33 115.59 3df2 n VAL 53 Ca -0.19 -0.01 -0.00 0.00 -2.04 0.00 0.00 64.34 62.09 3df2 n VAL 53 Cb 0.71 -0.58 -0.00 0.00 -1.47 0.00 0.00 33.84 32.50 3df2 n VAL 53 CO 0.00 0.00 0.00 -0.38 -2.14 0.00 0.00 176.83 174.31 3df2 n ILE 54 N 4.86 -3.13 -2.09 1.34 5.41 -1.26 -4.46 119.36 120.03 3df2 n ILE 54 Ca 0.38 0.12 -0.37 0.00 1.00 0.00 0.00 62.75 63.88 3df2 n ILE 54 Cb -0.03 -3.83 0.01 0.00 -0.71 0.00 0.00 39.64 35.08 3df2 n ILE 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3df2 s ALA 55 N -0.05 2.77 0.00 -1.39 0.00 -1.25 -4.17 121.76 117.67 3df2 s ALA 55 Ca -0.01 1.02 0.00 0.00 0.00 0.00 0.00 51.96 52.97 3df2 s ALA 55 Cb 0.00 -3.44 0.00 0.00 0.00 0.00 0.00 23.12 19.68 3df2 s ALA 55 CO 0.04 -0.96 0.00 0.36 0.00 0.00 0.00 175.76 175.20