#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dl6 s SER 2 N 0.00 5.15 -0.17 1.61 0.01 -1.26 -4.98 113.70 114.06 2dl6 s SER 2 Ca 0.00 -0.19 -0.15 0.00 1.31 0.00 0.00 55.95 56.92 2dl6 s SER 2 Cb 0.00 -1.92 -0.22 0.00 0.21 0.00 0.00 66.02 64.09 2dl6 s SER 2 CO 0.00 -0.02 0.26 -0.24 0.41 0.00 0.00 173.24 173.65 2dl6 n SER 3 N 4.84 1.97 -1.95 2.44 2.88 -1.26 -5.06 113.62 117.48 2dl6 n SER 3 Ca -0.16 0.33 -0.01 0.00 -1.33 0.00 0.00 58.87 57.70 2dl6 n SER 3 Cb 0.51 -0.92 0.00 0.00 -0.75 0.00 0.00 64.21 63.06 2dl6 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dl6 n GLY 4 N 1.66 -0.76 3.74 0.46 0.00 -1.26 -5.00 105.19 104.03 2dl6 n GLY 4 Ca -0.33 0.18 -0.41 0.00 0.00 0.00 0.00 46.02 45.47 2dl6 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dl6 s SER 5 N -1.85 7.45 -0.37 1.61 0.01 -1.26 -5.02 113.70 114.27 2dl6 s SER 5 Ca 0.04 1.94 -0.19 0.00 1.31 0.00 0.00 55.95 59.05 2dl6 s SER 5 Cb -0.01 -2.60 0.01 0.00 0.21 0.00 0.00 66.02 63.62 2dl6 s SER 5 CO 0.24 -0.07 0.56 -0.44 0.41 0.00 0.00 173.24 173.93 2dl6 s SER 6 N -0.29 6.33 -0.35 2.44 0.01 -1.26 -5.04 113.70 115.54 2dl6 s SER 6 Ca 0.46 -0.10 -0.16 0.00 1.31 0.00 0.00 55.95 57.47 2dl6 s SER 6 Cb -0.26 -2.29 -0.01 0.00 0.21 0.00 0.00 66.02 63.67 2dl6 s SER 6 CO 0.32 -0.57 0.39 -0.83 0.41 0.00 0.00 173.24 172.96 2dl6 s GLY 7 N 1.82 1.89 -0.11 3.44 0.00 -1.26 -5.02 107.32 108.08 2dl6 s GLY 7 Ca 0.20 -1.23 -0.30 0.00 0.00 0.00 0.00 44.72 43.39 2dl6 s GLY 7 CO 0.15 1.05 2.09 1.18 0.00 0.00 0.00 173.10 177.56 2dl6 n GLU 8 N 5.45 2.29 0.01 2.90 1.02 -1.26 -4.88 120.64 126.17 2dl6 n GLU 8 Ca -0.08 0.75 -0.13 0.00 -0.02 0.00 0.00 57.16 57.68 2dl6 n GLU 8 Cb 0.49 -3.03 -0.10 0.00 -0.02 0.00 0.00 31.44 28.78 2dl6 n GLU 8 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 2dl6 h PRO 9 N 12.47 -0.06 -6.24 3.49 0.13 -2.05 -3.45 132.00 136.29 2dl6 h PRO 9 Ca -0.45 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.13 2dl6 h PRO 9 Cb 1.25 0.01 -0.08 0.00 0.13 0.00 0.00 31.00 32.31 2dl6 h PRO 9 CO 0.95 0.41 -0.61 1.21 -0.23 0.00 0.00 178.00 179.74 2dl6 s ASN 10 N -5.61 5.02 0.45 1.44 3.84 -1.26 -5.13 114.94 113.69 2dl6 s ASN 10 Ca -0.15 -0.39 -0.01 0.00 0.21 0.00 0.00 52.86 52.51 2dl6 s ASN 10 Cb 0.02 -1.13 -0.01 0.00 -0.55 0.00 0.00 41.25 39.57 2dl6 s ASN 10 CO 0.64 0.03 0.70 -1.38 -2.79 0.00 0.00 177.10 174.30 2dl6 s HIS 11 N -2.01 3.32 0.13 0.43 0.00 -1.26 -5.11 115.29 110.79 2dl6 s HIS 11 Ca 0.30 0.39 0.11 0.00 -3.00 0.00 0.00 55.06 52.86 2dl6 s HIS 11 Cb -0.08 -2.29 -0.04 0.00 -4.00 0.00 0.00 32.58 26.17 2dl6 s HIS 11 CO 0.21 -0.32 -0.27 -0.48 -1.00 0.00 0.00 174.74 172.89 2dl6 s LEU 12 N -4.60 2.32 -0.20 5.38 0.05 -1.26 -4.95 118.68 115.42 2dl6 s LEU 12 Ca 0.47 -0.75 -0.01 0.00 0.05 0.00 0.00 54.13 53.90 2dl6 s LEU 12 Cb -0.10 -1.20 0.05 0.00 -2.05 0.00 0.00 46.19 42.90 2dl6 s LEU 12 CO 0.39 0.17 -0.03 -0.62 -0.55 0.00 0.00 176.35 175.72 2dl6 s ASP 13 N -2.06 3.21 0.39 1.48 -1.08 -1.26 -5.12 116.67 112.23 2dl6 s ASP 13 Ca 0.14 -0.89 0.04 0.00 -0.52 0.00 0.00 52.55 51.32 2dl6 s ASP 13 Cb -0.10 -0.92 -0.03 0.00 -1.46 0.00 0.00 42.92 40.42 2dl6 s ASP 13 CO 0.06 -0.24 0.14 0.68 0.52 0.00 0.00 175.17 176.34 2dl6 s VAL 14 N 1.61 0.54 -0.13 1.11 -7.23 -1.26 -5.11 120.40 109.93 2dl6 s VAL 14 Ca -0.02 -2.00 -0.14 0.00 -1.81 0.00 0.00 61.98 58.01 2dl6 s VAL 14 Cb -0.17 -2.39 -0.05 0.00 0.56 0.00 0.00 36.38 34.33 2dl6 s VAL 14 CO -0.07 0.00 0.33 -0.62 -0.31 0.00 0.00 175.10 174.43 2dl6 s ASP 15 N -3.56 6.52 0.19 4.85 2.15 -1.26 -4.98 116.67 120.58 2dl6 s ASP 15 Ca 0.27 0.61 -0.13 0.00 0.43 0.00 0.00 52.55 53.73 2dl6 s ASP 15 Cb 0.03 -2.20 0.22 0.00 -0.30 0.00 0.00 42.92 40.67 2dl6 s ASP 15 CO 0.16 0.13 1.25 0.18 -0.17 0.00 0.00 175.17 176.73 2dl6 n LEU 16 N 3.26 -0.49 -0.35 -1.34 4.77 -1.26 0.23 117.00 121.82 2dl6 n LEU 16 Ca -0.12 1.41 0.07 0.00 -0.03 0.00 0.00 56.01 57.33 2dl6 n LEU 16 Cb 0.52 -0.34 0.24 0.00 -2.33 0.00 0.00 43.42 41.52 2dl6 n LEU 16 CO 0.39 -1.28 1.24 -0.33 -1.33 0.00 0.00 177.39 176.09 2dl6 h GLU 17 N 0.00 0.97 -6.40 3.23 5.08 -1.98 -2.62 114.58 112.87 2dl6 h GLU 17 Ca 0.30 -0.06 -0.62 0.00 -1.00 0.00 0.00 59.36 57.98 2dl6 h GLU 17 Cb 0.50 -0.22 0.05 0.00 0.50 0.00 0.00 28.75 29.58 2dl6 h GLU 17 CO -0.81 0.64 0.77 2.41 -1.00 0.00 0.00 179.01 181.03 2dl6 n THR 18 N -4.58 0.11 -1.64 1.13 -1.04 0.62 -4.77 114.28 104.11 2dl6 n THR 18 Ca 0.18 -0.02 -0.30 0.00 -2.04 0.00 0.00 64.05 61.87 2dl6 n THR 18 Cb 0.33 -1.41 0.08 0.00 -1.82 0.00 0.00 70.33 67.51 2dl6 n THR 18 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 2dl6 s ARG 19 N 1.45 2.21 -0.23 -2.82 1.81 -1.26 -2.77 118.95 117.34 2dl6 s ARG 19 Ca 0.83 0.56 -0.01 0.00 -1.72 0.00 0.00 55.73 55.39 2dl6 s ARG 19 Cb -0.76 -1.94 0.07 0.00 -0.45 0.00 0.00 34.95 31.87 2dl6 s ARG 19 CO 0.43 -1.52 0.01 0.42 -0.68 0.00 0.00 175.30 173.97 2dl6 s ILE 20 N -3.22 1.02 0.38 1.52 -1.09 -1.03 -4.84 121.20 113.94 2dl6 s ILE 20 Ca 0.60 -0.99 -0.26 0.00 -2.23 0.00 0.00 60.65 57.77 2dl6 s ILE 20 Cb -0.14 -1.47 -0.09 0.00 -1.58 0.00 0.00 42.46 39.18 2dl6 s ILE 20 CO 0.53 -0.25 1.20 -2.16 -1.23 0.00 0.00 174.94 173.04 2dl6 s PRO 21 N 1.61 4.15 -0.05 2.79 0.04 -1.26 -4.25 135.00 138.03 2dl6 s PRO 21 Ca -0.01 1.93 -0.10 0.00 0.04 0.00 0.00 61.00 62.86 2dl6 s PRO 21 Cb -0.18 -2.79 0.02 0.00 0.04 0.00 0.00 34.50 31.59 2dl6 s PRO 21 CO -0.10 -0.27 0.25 0.14 0.04 0.00 0.00 177.00 177.06 2dl6 s VAL 22 N -1.33 0.03 -0.27 -0.36 -7.23 -1.16 -3.39 120.40 106.70 2dl6 s VAL 22 Ca 0.55 -0.29 -0.03 0.00 -1.81 0.00 0.00 61.98 60.39 2dl6 s VAL 22 Cb -0.33 -0.45 0.02 0.00 0.56 0.00 0.00 36.38 36.18 2dl6 s VAL 22 CO 0.42 -0.16 -0.01 -0.51 -0.31 0.00 0.00 175.10 174.53 2dl6 s ILE 23 N -0.61 3.22 0.81 -0.62 2.07 0.66 -0.28 121.20 126.45 2dl6 s ILE 23 Ca -0.07 -0.95 -0.14 0.00 -1.41 0.00 0.00 60.65 58.08 2dl6 s ILE 23 Cb -0.04 -2.66 0.04 0.00 0.13 0.00 0.00 42.46 39.93 2dl6 s ILE 23 CO 0.02 0.14 0.88 -3.20 -1.91 0.00 0.00 174.94 170.87 2dl6 n ASN 24 N 4.73 -0.12 -0.07 4.50 4.05 -0.15 -2.70 115.26 125.49 2dl6 n ASN 24 Ca -0.16 0.54 -0.08 0.00 0.45 0.00 0.00 54.58 55.34 2dl6 n ASN 24 Cb 0.47 -1.38 -0.10 0.00 1.23 0.00 0.00 39.78 40.00 2dl6 n ASN 24 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 177.26 174.50 2dl6 n LYS 25 N -2.30 1.42 0.38 1.20 5.02 -1.21 -3.42 118.16 119.25 2dl6 n LYS 25 Ca 0.11 0.02 -0.15 0.00 -2.02 0.00 0.00 58.31 56.27 2dl6 n LYS 25 Cb 0.51 -1.36 -0.07 0.00 -0.02 0.00 0.00 35.03 34.08 2dl6 n LYS 25 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2dl6 h VAL 26 N 0.00 0.00 0.03 -0.18 2.07 -1.93 -3.38 116.25 112.85 2dl6 h VAL 26 Ca -0.39 -0.15 -0.39 0.00 0.82 0.00 0.00 66.70 66.59 2dl6 h VAL 26 Cb 1.81 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 31.53 2dl6 h VAL 26 CO 0.00 0.00 -2.33 -0.67 0.02 0.00 0.00 177.57 174.59 2dl6 n ASP 27 N -5.10 2.01 0.00 0.57 -0.08 -1.26 -5.04 116.55 107.65 2dl6 n ASP 27 Ca -0.12 0.02 0.00 0.00 -1.51 0.00 0.00 54.79 53.18 2dl6 n ASP 27 Cb 0.39 -0.58 0.00 0.00 2.34 0.00 0.00 41.12 43.27 2dl6 n ASP 27 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2dl6 n GLY 28 N 2.05 1.22 3.71 0.27 0.00 -1.22 -5.06 105.19 106.16 2dl6 n GLY 28 Ca -0.43 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.22 2dl6 n GLY 28 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2dl6 s THR 29 N -2.00 5.29 -0.17 2.61 2.01 -1.26 -4.73 115.64 117.38 2dl6 s THR 29 Ca 0.00 0.55 -0.18 0.00 0.31 0.00 0.00 61.69 62.37 2dl6 s THR 29 Cb 0.00 -3.64 -0.04 0.00 0.01 0.00 0.00 72.50 68.83 2dl6 s THR 29 CO 0.00 0.35 0.47 -0.22 -0.69 0.00 0.00 174.62 174.53 2dl6 s LEU 30 N 0.72 4.19 -0.11 4.42 2.96 -1.26 -0.98 118.68 128.63 2dl6 s LEU 30 Ca 0.16 0.68 -0.12 0.00 -0.22 0.00 0.00 54.13 54.62 2dl6 s LEU 30 Cb -0.13 -2.64 -0.05 0.00 0.50 0.00 0.00 46.19 43.87 2dl6 s LEU 30 CO 0.05 -0.08 0.28 -0.76 -1.32 0.00 0.00 176.35 174.51 2dl6 s LEU 31 N 1.18 4.34 0.19 -0.68 1.43 0.62 -4.97 118.68 120.80 2dl6 s LEU 31 Ca 0.23 0.61 -0.07 0.00 -1.03 0.00 0.00 54.13 53.87 2dl6 s LEU 31 Cb -0.15 -2.34 -0.02 0.00 0.03 0.00 0.00 46.19 43.71 2dl6 s LEU 31 CO 0.09 0.24 0.26 0.68 0.23 0.00 0.00 176.35 177.86 2dl6 s VAL 32 N -0.33 0.03 0.00 -1.59 -7.23 -1.26 -2.99 120.40 107.04 2dl6 s VAL 32 Ca 0.18 -1.64 0.00 0.00 -1.81 0.00 0.00 61.98 58.70 2dl6 s VAL 32 Cb -0.14 -2.17 0.00 0.00 0.56 0.00 0.00 36.38 34.63 2dl6 s VAL 32 CO 0.06 -0.14 0.00 0.61 -0.31 0.00 0.00 175.10 175.32 2dl6 n GLY 33 N -0.26 3.61 0.08 2.32 0.00 -1.26 -2.49 105.19 107.18 2dl6 n GLY 33 Ca -0.03 -0.02 -0.13 0.00 0.00 0.00 0.00 46.02 45.85 2dl6 n GLY 33 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 2dl6 h GLU 34 N 0.00 -0.07 -0.84 1.61 4.11 -1.98 -3.17 114.58 114.24 2dl6 h GLU 34 Ca 0.00 0.00 0.27 0.00 0.07 0.00 0.00 59.36 59.70 2dl6 h GLU 34 Cb 0.00 0.02 -0.15 0.00 0.50 0.00 0.00 28.75 29.11 2dl6 h GLU 34 CO 0.00 0.34 0.15 -0.25 0.07 0.00 0.00 179.01 179.31 2dl6 n ASP 35 N -4.93 0.02 -4.77 3.06 8.00 -1.04 -4.31 116.55 112.58 2dl6 n ASP 35 Ca -0.08 1.41 -0.38 0.00 0.71 0.00 0.00 54.79 56.45 2dl6 n ASP 35 Cb 0.23 -0.57 -0.02 0.00 -0.02 0.00 0.00 41.12 40.74 2dl6 n ASP 35 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2dl6 s ALA 36 N -5.63 3.15 1.07 2.24 0.00 -1.20 -4.86 121.76 116.53 2dl6 s ALA 36 Ca -0.10 0.92 -0.14 0.00 0.00 0.00 0.00 51.96 52.64 2dl6 s ALA 36 Cb 0.26 -3.36 0.22 0.00 0.00 0.00 0.00 23.12 20.24 2dl6 s ALA 36 CO 0.65 -0.47 1.10 -1.25 0.00 0.00 0.00 175.76 175.79 2dl6 s PRO 37 N -2.31 -0.13 0.29 0.00 0.04 -1.26 -4.73 135.00 126.90 2dl6 s PRO 37 Ca 0.57 0.33 -0.06 0.00 0.04 0.00 0.00 61.00 61.87 2dl6 s PRO 37 Cb -0.29 -1.69 -0.06 0.00 0.04 0.00 0.00 34.50 32.50 2dl6 s PRO 37 CO 0.37 -3.07 0.57 1.03 0.04 0.00 0.00 177.00 175.95 2dl6 s ARG 38 N -5.09 3.68 0.26 4.56 1.81 -1.26 -2.46 118.95 120.45 2dl6 s ARG 38 Ca 0.67 0.11 -0.05 0.00 -1.72 0.00 0.00 55.73 54.74 2dl6 s ARG 38 Cb -0.16 -2.62 0.29 0.00 -0.45 0.00 0.00 34.95 32.01 2dl6 s ARG 38 CO 0.57 0.21 1.93 -0.09 -0.68 0.00 0.00 175.30 177.24 2dl6 h ARG 39 N 1.81 1.29 0.01 3.54 9.65 -1.28 0.22 114.38 129.61 2dl6 h ARG 39 Ca -0.47 -0.08 -0.00 0.00 -1.10 0.00 0.00 59.98 58.33 2dl6 h ARG 39 Cb 1.19 -0.29 0.00 0.00 -1.39 0.00 0.00 29.97 29.48 2dl6 h ARG 39 CO 0.66 0.85 -0.00 0.00 2.80 0.00 0.00 179.97 184.28 2dl6 h ALA 40 N 1.39 -0.01 -0.34 2.80 0.00 -1.87 -2.35 119.26 118.89 2dl6 h ALA 40 Ca 0.37 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.25 2dl6 h ALA 40 Cb -0.12 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.67 2dl6 h ALA 40 CO -0.09 -0.48 0.00 -0.85 0.00 0.00 0.00 179.25 177.83 2dl6 n GLU 41 N -5.07 2.79 -0.20 0.00 0.28 -1.04 -4.22 120.64 113.18 2dl6 n GLU 41 Ca -0.07 -1.64 -0.07 0.00 -0.16 0.00 0.00 57.16 55.23 2dl6 n GLU 41 Cb 0.06 -1.75 0.08 0.00 1.43 0.00 0.00 31.44 31.26 2dl6 n GLU 41 CO 0.00 0.00 0.00 1.25 -0.16 0.00 0.00 177.13 178.22 2dl6 h LEU 42 N 2.21 0.98 0.14 -1.84 5.85 0.00 0.05 115.31 122.70 2dl6 h LEU 42 Ca 0.00 -0.23 -0.01 0.00 0.84 0.00 0.00 57.88 58.48 2dl6 h LEU 42 Cb 1.09 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 41.87 2dl6 h LEU 42 CO 0.19 0.98 -0.07 1.05 -0.34 0.00 0.00 178.44 180.26 2dl6 h GLU 43 N 0.96 -0.18 0.00 1.25 4.11 -1.76 0.33 114.58 119.29 2dl6 h GLU 43 Ca 0.19 0.01 -0.02 0.00 0.07 0.00 0.00 59.36 59.62 2dl6 h GLU 43 Cb 0.43 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.72 2dl6 h GLU 43 CO 0.01 0.21 -0.08 0.00 0.07 0.00 0.00 179.01 179.22 2dl6 h MET 44 N -0.61 0.00 0.00 1.06 -0.00 -1.83 -2.49 114.93 111.06 2dl6 h MET 44 Ca -0.02 0.00 -0.00 0.00 -0.00 0.00 0.00 59.70 59.68 2dl6 h MET 44 Cb 0.47 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 32.07 2dl6 h MET 44 CO 0.03 0.08 -0.01 2.35 -0.00 0.00 0.00 176.91 179.36 2dl6 h TRP 45 N 0.00 0.00 0.00 -0.10 7.01 -0.86 -3.27 115.95 118.72 2dl6 h TRP 45 Ca -0.00 0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.00 2dl6 h TRP 45 Cb 0.23 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.29 2dl6 h TRP 45 CO 0.00 0.94 0.03 -0.07 -2.79 0.00 0.00 178.44 176.55 2dl6 h LEU 46 N -1.00 0.00 0.75 0.65 3.38 -0.74 0.60 115.31 118.96 2dl6 h LEU 46 Ca -0.00 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 2dl6 h LEU 46 Cb 0.94 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.69 2dl6 h LEU 46 CO -0.00 0.00 -0.36 1.56 0.09 0.00 0.00 178.44 179.73 2dl6 h GLN 47 N 0.00 -0.98 -0.01 1.13 4.20 -1.50 -2.46 115.11 115.49 2dl6 h GLN 47 Ca 0.00 0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.78 2dl6 h GLN 47 Cb 0.07 0.22 0.00 0.00 0.30 0.00 0.00 27.48 28.07 2dl6 h GLN 47 CO 0.00 -0.64 -0.56 0.41 -0.67 0.00 0.00 178.83 177.37 2dl6 n GLY 48 N -0.88 -0.13 0.98 3.46 0.00 -1.03 -4.27 105.19 103.33 2dl6 n GLY 48 Ca -0.13 -0.64 -0.02 0.00 0.00 0.00 0.00 46.02 45.24 2dl6 n GLY 48 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2dl6 n HIS 49 N -0.26 0.73 0.97 1.61 8.25 0.21 -4.73 115.22 122.00 2dl6 n HIS 49 Ca 0.08 -1.67 0.06 0.00 -0.26 0.00 0.00 57.72 55.93 2dl6 n HIS 49 Cb 0.44 -0.34 0.34 0.00 1.12 0.00 0.00 29.99 31.56 2dl6 n HIS 49 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 2dl6 n PRO 50 N -1.06 0.49 0.00 -0.41 -0.04 -0.93 -3.10 135.00 129.96 2dl6 n PRO 50 Ca 0.27 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.80 2dl6 n PRO 50 Cb 0.81 -1.37 0.39 0.00 -0.04 0.00 0.00 33.50 33.29 2dl6 n PRO 50 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2dl6 n GLU 51 N -0.87 0.28 -3.97 0.54 -0.58 -1.26 -4.73 120.64 110.06 2dl6 n GLU 51 Ca 0.09 0.11 -0.27 0.00 -0.42 0.00 0.00 57.16 56.66 2dl6 n GLU 51 Cb 0.04 -1.50 -0.02 0.00 -0.57 0.00 0.00 31.44 29.39 2dl6 n GLU 51 CO 0.00 0.00 0.00 -0.06 -0.48 0.00 0.00 177.13 176.59 2dl6 s PHE 52 N -2.40 1.70 -0.20 -0.32 0.40 -1.18 -3.36 117.98 112.63 2dl6 s PHE 52 Ca 0.16 -0.84 -0.08 0.00 -0.60 0.00 0.00 56.93 55.58 2dl6 s PHE 52 Cb 0.10 -1.89 0.08 0.00 0.51 0.00 0.00 43.02 41.82 2dl6 s PHE 52 CO 0.21 -0.38 0.43 0.00 0.70 0.00 0.00 175.22 176.18 2dl6 s ALA 53 N -2.77 -1.18 0.10 5.36 0.00 -1.10 -4.92 121.76 117.25 2dl6 s ALA 53 Ca 0.32 1.57 -0.35 0.00 0.00 0.00 0.00 51.96 53.50 2dl6 s ALA 53 Cb -0.02 -1.24 -0.15 0.00 0.00 0.00 0.00 23.12 21.72 2dl6 s ALA 53 CO 0.20 -0.62 1.53 0.28 0.00 0.00 0.00 175.76 177.15 2dl6 n VAL 54 N 5.06 0.06 -1.67 0.00 0.31 -1.26 -0.25 118.33 120.58 2dl6 n VAL 54 Ca -0.13 -0.01 -0.44 0.00 -0.01 0.00 0.00 64.34 63.75 2dl6 n VAL 54 Cb 0.51 -1.33 -0.02 0.00 -0.91 0.00 0.00 33.84 32.10 2dl6 n VAL 54 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 2dl6 n ASP 55 N 3.46 2.50 0.18 4.52 -0.08 -1.22 -4.82 116.55 121.11 2dl6 n ASP 55 Ca 0.18 1.18 0.04 0.00 -1.51 0.00 0.00 54.79 54.68 2dl6 n ASP 55 Cb 0.25 -1.43 0.35 0.00 2.34 0.00 0.00 41.12 42.63 2dl6 n ASP 55 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 2dl6 h PRO 56 N 3.03 0.00 -0.27 -0.67 0.13 -1.96 -3.06 132.00 129.20 2dl6 h PRO 56 Ca -0.45 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.62 2dl6 h PRO 56 Cb 1.29 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.41 2dl6 h PRO 56 CO 0.67 0.40 -0.10 0.00 -0.23 0.00 0.00 178.00 178.74 2dl6 h ARG 57 N 0.00 0.54 -0.76 0.86 2.47 -2.02 -2.92 114.38 112.55 2dl6 h ARG 57 Ca -0.00 -0.22 -0.01 0.00 -1.26 0.00 0.00 59.98 58.48 2dl6 h ARG 57 Cb 0.79 -0.02 -0.04 0.00 -1.65 0.00 0.00 29.97 29.05 2dl6 h ARG 57 CO 0.05 0.77 0.43 0.35 0.56 0.00 0.00 179.97 182.14 2dl6 h PHE 58 N 0.29 1.03 0.19 3.04 3.04 -1.93 -3.03 116.94 119.56 2dl6 h PHE 58 Ca 0.06 -0.02 0.01 0.00 3.98 0.00 0.00 57.97 62.01 2dl6 h PHE 58 Cb 0.59 -0.33 -0.03 0.00 2.56 0.00 0.00 35.95 38.73 2dl6 h PHE 58 CO 0.06 0.71 -0.32 -0.07 -2.02 0.00 0.00 178.31 176.66 2dl6 h LEU 59 N 1.05 -0.91 -0.79 0.59 3.38 -1.48 -2.80 115.31 114.35 2dl6 h LEU 59 Ca 0.27 0.10 0.10 0.00 0.09 0.00 0.00 57.88 58.44 2dl6 h LEU 59 Cb 0.01 0.33 -0.12 0.00 0.09 0.00 0.00 40.66 40.97 2dl6 h LEU 59 CO -0.05 -0.43 -0.36 0.00 0.09 0.00 0.00 178.44 177.69 2dl6 n ALA 60 N -2.68 -0.24 -0.25 1.53 0.00 -1.11 -0.60 120.51 117.16 2dl6 n ALA 60 Ca -0.08 0.74 -0.07 0.00 0.00 0.00 0.00 53.44 54.04 2dl6 n ALA 60 Cb 0.33 -0.27 -0.06 0.00 0.00 0.00 0.00 19.45 19.46 2dl6 n ALA 60 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 2dl6 n TYR 61 N -5.10 -0.26 -0.20 0.00 9.36 -1.06 -0.59 117.16 119.31 2dl6 n TYR 61 Ca 0.06 0.75 -0.05 0.00 3.32 0.00 0.00 57.90 61.98 2dl6 n TYR 61 Cb 0.28 -0.52 -0.05 0.00 -0.63 0.00 0.00 39.34 38.41 2dl6 n TYR 61 CO 0.00 0.00 0.00 -1.33 0.22 0.00 0.00 176.86 175.75 2dl6 n MET 62 N -4.52 -0.21 -0.33 2.98 2.81 0.23 -0.28 117.12 117.78 2dl6 n MET 62 Ca 0.01 0.98 -0.11 0.00 -1.81 0.00 0.00 57.70 56.77 2dl6 n MET 62 Cb 0.16 -1.45 -0.09 0.00 -0.71 0.00 0.00 33.22 31.12 2dl6 n MET 62 CO 0.00 0.00 0.00 1.49 1.51 0.00 0.00 175.97 178.97 2dl6 h GLU 63 N 0.00 -0.11 -0.94 0.03 4.57 -0.93 0.36 114.58 117.56 2dl6 h GLU 63 Ca 0.08 0.01 0.28 0.00 -1.18 0.00 0.00 59.36 58.54 2dl6 h GLU 63 Cb 0.20 0.03 -0.16 0.00 -0.16 0.00 0.00 28.75 28.66 2dl6 h GLU 63 CO -0.46 -0.08 0.24 -0.44 -1.18 0.00 0.00 179.01 177.10 2dl6 h ASP 64 N -0.12 -0.06 -0.32 1.04 3.32 -0.48 -0.61 116.42 119.17 2dl6 h ASP 64 Ca 0.14 0.23 0.04 0.00 0.02 0.00 0.00 57.03 57.46 2dl6 h ASP 64 Cb 0.47 0.33 -0.07 0.00 0.22 0.00 0.00 39.33 40.28 2dl6 h ASP 64 CO -0.84 -0.26 -0.50 -0.09 -1.72 0.00 0.00 179.24 175.83 2dl6 h ARG 65 N 0.12 -0.37 -0.68 3.56 2.43 0.35 -0.83 114.38 118.95 2dl6 h ARG 65 Ca 0.62 0.03 0.14 0.00 -0.81 0.00 0.00 59.98 59.95 2dl6 h ARG 65 Cb 1.35 0.08 -0.13 0.00 -0.42 0.00 0.00 29.97 30.86 2dl6 h ARG 65 CO -0.75 -0.25 -0.17 0.00 -1.51 0.00 0.00 179.97 177.30 2dl6 h ARG 66 N -0.39 0.00 -0.42 0.20 2.47 -1.05 0.08 114.38 115.28 2dl6 h ARG 66 Ca 0.06 -0.00 0.08 0.00 -1.26 0.00 0.00 59.98 58.86 2dl6 h ARG 66 Cb 0.55 -0.00 -0.08 0.00 -1.65 0.00 0.00 29.97 28.79 2dl6 h ARG 66 CO -0.51 0.00 -0.08 0.87 0.56 0.00 0.00 179.97 180.81 2dl6 h LYS 67 N 0.00 0.03 -0.58 0.04 1.57 -1.06 -2.36 116.57 114.20 2dl6 h LYS 67 Ca 0.33 -0.00 0.09 0.00 -1.87 0.00 0.00 60.65 59.19 2dl6 h LYS 67 Cb 0.50 -0.01 -0.11 0.00 0.08 0.00 0.00 32.23 32.70 2dl6 h LYS 67 CO -0.70 0.02 -0.44 0.37 -0.57 0.00 0.00 179.45 178.13 2dl6 h GLN 68 N 0.03 -0.22 -3.98 3.15 5.75 0.20 -3.40 115.11 116.64 2dl6 h GLN 68 Ca 0.20 0.02 -0.38 0.00 -0.15 0.00 0.00 58.65 58.34 2dl6 h GLN 68 Cb 0.31 0.05 -0.33 0.00 1.07 0.00 0.00 27.48 28.58 2dl6 h GLN 68 CO -0.41 -0.15 -0.76 0.15 -2.65 0.00 0.00 178.83 175.01 2dl6 s LYS 69 N -5.83 0.66 0.68 1.69 1.02 -0.89 -5.13 119.74 111.94 2dl6 s LYS 69 Ca -0.14 -0.07 0.01 0.00 0.02 0.00 0.00 55.97 55.79 2dl6 s LYS 69 Cb 0.13 -0.70 0.11 0.00 -0.52 0.00 0.00 37.83 36.85 2dl6 s LYS 69 CO 0.66 -0.07 0.94 -1.58 -0.92 0.00 0.00 175.35 174.38 2dl6 s TRP 70 N 0.82 1.63 0.04 3.18 0.52 -1.23 -4.55 118.94 119.34 2dl6 s TRP 70 Ca -0.10 -0.35 0.04 0.00 0.02 0.00 0.00 56.10 55.71 2dl6 s TRP 70 Cb -0.13 -2.83 -0.04 0.00 -1.15 0.00 0.00 33.47 29.32 2dl6 s TRP 70 CO -0.00 -1.55 -0.05 -1.14 0.02 0.00 0.00 176.95 174.23 2dl6 s GLN 71 N -5.03 2.52 -1.21 4.98 0.74 -1.26 -4.59 119.66 115.82 2dl6 s GLN 71 Ca 0.65 -0.77 -0.06 0.00 0.05 0.00 0.00 55.36 55.22 2dl6 s GLN 71 Cb -0.06 -2.50 0.01 0.00 1.10 0.00 0.00 33.01 31.56 2dl6 s GLN 71 CO 0.43 0.58 1.05 0.54 -0.55 0.00 0.00 175.29 177.33 2dl6 n ARG 72 N 1.20 -7.03 -1.00 1.67 5.12 -1.26 -4.98 116.66 110.39 2dl6 n ARG 72 Ca -0.14 0.76 -0.30 0.00 -1.93 0.00 0.00 57.85 56.24 2dl6 n ARG 72 Cb 0.52 -5.58 0.16 0.00 -1.16 0.00 0.00 32.46 26.41 2dl6 n ARG 72 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2dl6 s LYS 74 N -4.80 4.16 -0.12 0.00 -0.14 -1.26 -5.01 119.74 112.58 2dl6 s LYS 74 Ca 0.65 2.50 -0.16 0.00 -1.36 0.00 0.00 55.97 57.59 2dl6 s LYS 74 Cb -0.20 -3.04 0.04 0.00 -1.68 0.00 0.00 37.83 32.95 2dl6 s LYS 74 CO 0.58 -0.55 0.42 0.21 -0.76 0.00 0.00 175.35 175.25 2dl6 s LYS 75 N -0.76 0.58 -0.22 1.68 2.36 -1.26 -5.15 119.74 116.97 2dl6 s LYS 75 Ca 0.60 0.37 -0.10 0.00 -2.55 0.00 0.00 55.97 54.29 2dl6 s LYS 75 Cb -0.46 0.28 -0.05 0.00 -1.05 0.00 0.00 37.83 36.55 2dl6 s LYS 75 CO 0.49 -0.11 0.15 1.21 1.55 0.00 0.00 175.35 178.64 2dl6 s ASN 76 N -0.26 6.14 0.21 1.43 2.47 -1.26 -5.09 114.94 118.58 2dl6 s ASN 76 Ca -0.04 0.16 0.07 0.00 0.42 0.00 0.00 52.86 53.47 2dl6 s ASN 76 Cb -0.03 -2.10 -0.05 0.00 -1.45 0.00 0.00 41.25 37.62 2dl6 s ASN 76 CO 0.02 0.11 -0.12 0.54 -3.72 0.00 0.00 177.10 173.94 2dl6 s ASN 77 N 0.76 2.50 0.59 -4.21 2.20 -1.26 -5.15 114.94 110.38 2dl6 s ASN 77 Ca 0.08 -1.06 -0.13 0.00 -0.94 0.00 0.00 52.86 50.81 2dl6 s ASN 77 Cb -0.12 -0.12 -0.05 0.00 -2.00 0.00 0.00 41.25 38.95 2dl6 s ASN 77 CO 0.02 -0.23 1.02 -0.55 -2.94 0.00 0.00 177.10 174.42 2dl6 s SER 78 N -3.32 6.29 0.55 3.54 0.15 -1.26 -5.05 113.70 114.59 2dl6 s SER 78 Ca 0.23 1.49 -0.12 0.00 0.70 0.00 0.00 55.95 58.25 2dl6 s SER 78 Cb 0.01 -2.48 -0.05 0.00 -1.71 0.00 0.00 66.02 61.78 2dl6 s SER 78 CO 0.07 -0.82 0.96 -0.83 1.20 0.00 0.00 173.24 173.82 2dl6 s GLY 79 N -3.79 1.78 0.52 9.45 0.00 -1.26 -5.08 107.32 108.95 2dl6 s GLY 79 Ca 0.57 -0.08 -0.09 0.00 0.00 0.00 0.00 44.72 45.12 2dl6 s GLY 79 CO 0.47 0.17 0.46 -1.55 0.00 0.00 0.00 173.10 172.65 2dl6 n PRO 80 N -2.21 -1.93 -3.75 2.90 -0.04 -1.26 -5.02 135.00 123.69 2dl6 n PRO 80 Ca 0.05 -0.74 -0.37 0.00 -0.04 0.00 0.00 63.50 62.40 2dl6 n PRO 80 Cb 0.54 -0.69 -0.13 0.00 -0.04 0.00 0.00 33.50 33.18 2dl6 n PRO 80 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2dl6 s SER 81 N -2.75 5.16 0.72 3.54 0.15 -1.26 -5.10 113.70 114.15 2dl6 s SER 81 Ca 0.30 -0.74 -0.05 0.00 0.70 0.00 0.00 55.95 56.16 2dl6 s SER 81 Cb -0.03 -1.89 0.09 0.00 -1.71 0.00 0.00 66.02 62.49 2dl6 s SER 81 CO 0.23 -0.20 1.01 -0.94 1.20 0.00 0.00 173.24 174.53 2dl6 s SER 82 N 1.50 4.55 0.00 5.45 1.04 -1.26 -5.37 113.70 119.61 2dl6 s SER 82 Ca 0.02 0.14 0.00 0.00 0.48 0.00 0.00 55.95 56.59 2dl6 s SER 82 Cb -0.17 -0.68 0.00 0.00 0.10 0.00 0.00 66.02 65.26 2dl6 s SER 82 CO 0.03 -1.73 0.00 0.61 0.98 0.00 0.00 173.24 173.12