#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 5.45 0.22 1.61 1.04 -1.26 -4.98 113.70 115.77 2dl6 s SER 2 Ca 0.00 -1.48 -0.17 0.00 0.48 0.00 0.00 55.95 54.78 2dl6 s SER 2 Cb 0.00 -1.91 0.22 0.00 0.10 0.00 0.00 66.02 64.42 2dl6 s SER 2 CO 0.00 -0.47 1.47 -1.20 0.98 0.00 0.00 173.24 174.02 2dl6 n SER 3 N 4.82 -0.63 0.00 7.02 7.64 -1.26 -4.84 113.62 126.38 2dl6 n SER 3 Ca -0.10 1.65 0.00 0.00 1.01 0.00 0.00 58.87 61.44 2dl6 n SER 3 Cb 0.43 -0.37 0.00 0.00 -1.01 0.00 0.00 64.21 63.26 2dl6 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dl6 n GLY 4 N -1.44 0.45 3.19 0.23 0.00 -1.26 -5.16 105.19 101.21 2dl6 n GLY 4 Ca 0.09 -0.75 -0.11 0.00 0.00 0.00 0.00 46.02 45.25 2dl6 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dl6 s SER 5 N -0.19 -0.40 0.06 1.61 0.15 -1.26 -5.16 113.70 108.51 2dl6 s SER 5 Ca 0.00 0.77 -0.08 0.00 0.70 0.00 0.00 55.95 57.34 2dl6 s SER 5 Cb 0.00 0.67 -0.01 0.00 -1.71 0.00 0.00 66.02 64.98 2dl6 s SER 5 CO 0.00 -0.19 0.16 -0.44 1.20 0.00 0.00 173.24 173.97 2dl6 s SER 6 N 1.43 0.14 0.00 5.45 0.01 -1.26 -5.17 113.70 114.30 2dl6 s SER 6 Ca -0.09 -0.58 0.00 0.00 1.31 0.00 0.00 55.95 56.59 2dl6 s SER 6 Cb -0.09 0.29 0.00 0.00 0.21 0.00 0.00 66.02 66.43 2dl6 s SER 6 CO -0.11 -0.63 0.00 0.61 0.41 0.00 0.00 173.24 173.52 2dl6 n GLY 7 N 0.31 1.48 3.58 3.44 0.00 -1.26 -5.17 105.19 107.58 2dl6 n GLY 7 Ca -0.17 -0.40 -0.29 0.00 0.00 0.00 0.00 46.02 45.16 2dl6 n GLY 7 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2dl6 s GLU 8 N -2.00 2.13 -0.31 1.61 8.01 -1.26 -5.08 118.70 121.81 2dl6 s GLU 8 Ca 0.00 -1.09 -0.29 0.00 0.01 0.00 0.00 54.97 53.60 2dl6 s GLU 8 Cb 0.00 -2.27 -0.02 0.00 -4.31 0.00 0.00 34.13 27.53 2dl6 s GLU 8 CO 0.00 0.48 1.67 -1.25 0.01 0.00 0.00 175.26 176.18 2dl6 s PRO 9 N -2.43 3.53 -0.08 0.39 0.04 -1.26 -4.90 135.00 130.29 2dl6 s PRO 9 Ca 0.23 1.42 -0.26 0.00 0.04 0.00 0.00 61.00 62.43 2dl6 s PRO 9 Cb -0.10 -4.11 -0.25 0.00 0.04 0.00 0.00 34.50 30.08 2dl6 s PRO 9 CO 0.15 -1.62 0.96 -2.95 0.04 0.00 0.00 177.00 173.57 2dl6 h ASN 10 N 11.80 0.15 -3.73 6.66 -1.07 -2.03 -3.45 115.58 123.90 2dl6 h ASN 10 Ca -0.33 -0.84 -0.68 0.00 0.07 0.00 0.00 56.30 54.53 2dl6 h ASN 10 Cb 1.15 -0.05 -0.19 0.00 -2.07 0.00 0.00 38.32 37.17 2dl6 h ASN 10 CO 1.03 0.96 -0.73 -2.28 0.07 0.00 0.00 177.43 176.48 2dl6 s HIS 11 N -2.88 2.78 -0.11 4.14 5.04 -1.26 -5.12 115.29 117.88 2dl6 s HIS 11 Ca -0.17 -0.11 0.01 0.00 -1.54 0.00 0.00 55.06 53.25 2dl6 s HIS 11 Cb -0.00 -1.57 0.02 0.00 0.04 0.00 0.00 32.58 31.07 2dl6 s HIS 11 CO 0.72 0.33 -0.13 -0.51 -2.34 0.00 0.00 174.74 172.82 2dl6 s LEU 12 N -1.40 1.58 -0.01 8.88 1.43 -1.26 -4.99 118.68 122.90 2dl6 s LEU 12 Ca 0.16 -0.39 0.20 0.00 -1.03 0.00 0.00 54.13 53.07 2dl6 s LEU 12 Cb -0.11 -1.02 -0.27 0.00 0.03 0.00 0.00 46.19 44.82 2dl6 s LEU 12 CO 0.07 -0.03 0.64 0.47 0.23 0.00 0.00 176.35 177.72 2dl6 n ASP 13 N 4.46 0.60 -4.06 2.29 8.00 -1.26 -4.99 116.55 121.58 2dl6 n ASP 13 Ca -0.18 -0.46 -0.29 0.00 0.71 0.00 0.00 54.79 54.58 2dl6 n ASP 13 Cb 0.51 1.50 0.23 0.00 -0.02 0.00 0.00 41.12 43.33 2dl6 n ASP 13 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 2dl6 n VAL 14 N -1.86 0.00 -4.51 2.53 0.24 -1.26 -5.04 118.33 108.42 2dl6 n VAL 14 Ca -0.00 -0.28 -0.27 0.00 -2.04 0.00 0.00 64.34 61.75 2dl6 n VAL 14 Cb 0.43 -0.80 -0.10 0.00 -1.47 0.00 0.00 33.84 31.90 2dl6 n VAL 14 CO 0.00 0.00 0.00 1.51 -2.14 0.00 0.00 176.83 176.20 2dl6 s ASP 15 N -2.27 3.96 0.22 -1.34 -4.77 -1.26 -5.02 116.67 106.18 2dl6 s ASP 15 Ca 0.60 -1.26 -0.09 0.00 -3.30 0.00 0.00 52.55 48.50 2dl6 s ASP 15 Cb -0.16 -0.41 0.20 0.00 -1.09 0.00 0.00 42.92 41.46 2dl6 s ASP 15 CO 0.60 -0.40 1.87 -0.07 0.70 0.00 0.00 175.17 177.87 2dl6 h LEU 16 N 1.76 0.84 -1.16 2.11 3.38 -1.96 -1.97 115.31 118.31 2dl6 h LEU 16 Ca -0.43 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.48 2dl6 h LEU 16 Cb 1.24 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.78 2dl6 h LEU 16 CO 0.76 0.59 0.10 -0.33 0.09 0.00 0.00 178.44 179.65 2dl6 h GLU 17 N 0.99 0.68 -6.66 1.13 4.39 -1.98 -3.31 114.58 109.83 2dl6 h GLU 17 Ca 0.30 -0.13 -0.56 0.00 0.34 0.00 0.00 59.36 59.31 2dl6 h GLU 17 Cb -0.03 -0.11 0.08 0.00 -0.10 0.00 0.00 28.75 28.59 2dl6 h GLU 17 CO -0.09 0.63 0.78 2.41 -1.16 0.00 0.00 179.01 181.57 2dl6 n THR 18 N -4.30 0.75 -2.22 1.13 -1.04 -0.74 -4.80 114.28 103.06 2dl6 n THR 18 Ca 0.03 -0.19 -0.27 0.00 -2.04 0.00 0.00 64.05 61.58 2dl6 n THR 18 Cb 0.22 -1.71 0.15 0.00 -1.82 0.00 0.00 70.33 67.17 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 -0.11 1.09 -0.16 -2.82 1.81 -1.26 -1.82 118.95 115.69 2dl6 s ARG 19 Ca 0.69 -0.72 -0.04 0.00 -1.72 0.00 0.00 55.73 53.93 2dl6 s ARG 19 Cb -0.58 -2.06 0.07 0.00 -0.45 0.00 0.00 34.95 31.93 2dl6 s ARG 19 CO 0.46 -1.99 0.18 0.42 -0.68 0.00 0.00 175.30 173.68 2dl6 s ILE 20 N -3.56 -0.26 0.47 1.52 -1.09 -1.11 -4.62 121.20 112.55 2dl6 s ILE 20 Ca 0.71 0.04 -0.22 0.00 -2.23 0.00 0.00 60.65 58.95 2dl6 s ILE 20 Cb -0.04 -0.53 -0.07 0.00 -1.58 0.00 0.00 42.46 40.24 2dl6 s ILE 20 CO 0.49 -0.09 1.16 -2.16 -1.23 0.00 0.00 174.94 173.11 2dl6 s PRO 21 N 2.29 3.69 -0.16 2.79 0.04 -1.26 -4.35 135.00 138.03 2dl6 s PRO 21 Ca 0.05 1.74 -0.09 0.00 0.04 0.00 0.00 61.00 62.74 2dl6 s PRO 21 Cb -0.14 -2.33 0.05 0.00 0.04 0.00 0.00 34.50 32.12 2dl6 s PRO 21 CO -0.09 -0.60 0.38 0.14 0.04 0.00 0.00 177.00 176.87 2dl6 s VAL 22 N -1.59 -0.02 -0.28 -0.36 -7.23 -1.18 -3.03 120.40 106.71 2dl6 s VAL 22 Ca 0.65 0.09 -0.10 0.00 -1.81 0.00 0.00 61.98 60.81 2dl6 s VAL 22 Cb -0.28 -0.57 -0.03 0.00 0.56 0.00 0.00 36.38 36.06 2dl6 s VAL 22 CO 0.33 0.04 0.15 -0.51 -0.31 0.00 0.00 175.10 174.80 2dl6 s ILE 23 N 1.24 4.89 0.72 -0.62 2.07 0.12 -1.82 121.20 127.80 2dl6 s ILE 23 Ca -0.08 -0.07 -0.16 0.00 -1.41 0.00 0.00 60.65 58.93 2dl6 s ILE 23 Cb -0.08 -3.36 0.03 0.00 0.13 0.00 0.00 42.46 39.18 2dl6 s ILE 23 CO -0.11 0.22 1.26 0.21 -1.91 0.00 0.00 174.94 174.61 2dl6 s ASN 24 N 1.69 4.15 -0.17 4.50 3.04 0.45 -2.27 114.94 126.33 2dl6 s ASN 24 Ca 0.06 2.52 0.11 0.00 0.04 0.00 0.00 52.86 55.60 2dl6 s ASN 24 Cb -0.16 -2.61 -0.18 0.00 -1.54 0.00 0.00 41.25 36.76 2dl6 s ASN 24 CO 0.08 -2.30 -0.00 0.29 -3.04 0.00 0.00 177.10 172.12 2dl6 n LYS 25 N -2.51 1.16 0.34 0.43 5.02 -1.23 -3.22 118.16 118.15 2dl6 n LYS 25 Ca 0.15 0.02 -0.16 0.00 -2.02 0.00 0.00 58.31 56.31 2dl6 n LYS 25 Cb 0.49 -1.41 -0.08 0.00 -0.02 0.00 0.00 35.03 34.01 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 0.22 0.02 -0.18 2.07 -1.93 -3.38 116.25 113.06 2dl6 h VAL 26 Ca -0.44 -0.27 -0.39 0.00 0.82 0.00 0.00 66.70 66.42 2dl6 h VAL 26 Cb 1.93 0.28 -0.06 0.00 -1.52 0.00 0.00 31.29 31.92 2dl6 h VAL 26 CO 0.00 0.02 -2.20 -0.67 0.02 0.00 0.00 177.57 174.74 2dl6 n ASP 27 N -5.39 1.97 0.00 0.57 -0.08 -1.26 -5.04 116.55 107.32 2dl6 n ASP 27 Ca -0.12 0.21 0.00 0.00 -1.51 0.00 0.00 54.79 53.36 2dl6 n ASP 27 Cb 0.37 -0.74 0.00 0.00 2.34 0.00 0.00 41.12 43.08 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 1.67 1.35 3.80 0.27 0.00 -1.20 -5.06 105.19 106.02 2dl6 n GLY 28 Ca -0.45 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.20 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 5.27 -0.00 2.61 2.01 -1.26 -4.76 115.64 117.51 2dl6 s THR 29 Ca 0.00 0.55 -0.08 0.00 0.31 0.00 0.00 61.69 62.46 2dl6 s THR 29 Cb 0.00 -3.59 -0.05 0.00 0.01 0.00 0.00 72.50 68.87 2dl6 s THR 29 CO 0.00 0.51 0.29 -0.22 -0.69 0.00 0.00 174.62 174.51 2dl6 s LEU 30 N -0.42 4.39 -0.16 4.42 2.96 -1.26 -0.41 118.68 128.19 2dl6 s LEU 30 Ca 0.18 0.64 0.00 0.00 -0.22 0.00 0.00 54.13 54.74 2dl6 s LEU 30 Cb -0.14 -2.62 0.00 0.00 0.50 0.00 0.00 46.19 43.93 2dl6 s LEU 30 CO 0.07 0.27 -0.16 -0.76 -1.32 0.00 0.00 176.35 174.45 2dl6 s LEU 31 N -1.58 2.42 0.07 -0.68 1.43 -0.76 -4.99 118.68 114.60 2dl6 s LEU 31 Ca 0.26 -0.50 0.01 0.00 -1.03 0.00 0.00 54.13 52.87 2dl6 s LEU 31 Cb -0.14 -1.55 -0.04 0.00 0.03 0.00 0.00 46.19 44.50 2dl6 s LEU 31 CO 0.14 0.07 -0.06 0.68 0.23 0.00 0.00 176.35 177.41 2dl6 s VAL 32 N 0.91 0.55 0.00 -1.59 -7.23 -1.26 -3.10 120.40 108.68 2dl6 s VAL 32 Ca -0.04 -1.70 0.00 0.00 -1.81 0.00 0.00 61.98 58.43 2dl6 s VAL 32 Cb -0.15 -1.38 0.00 0.00 0.56 0.00 0.00 36.38 35.41 2dl6 s VAL 32 CO -0.02 -0.79 0.00 0.61 -0.31 0.00 0.00 175.10 174.59 2dl6 n GLY 33 N 0.35 3.00 0.20 2.32 0.00 -1.26 -2.73 105.19 107.06 2dl6 n GLY 33 Ca -0.15 -0.23 -0.12 0.00 0.00 0.00 0.00 46.02 45.52 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 0.62 -0.84 1.61 4.11 -1.98 -3.16 114.58 114.95 2dl6 h GLU 34 Ca 0.00 -0.29 0.26 0.00 0.07 0.00 0.00 59.36 59.41 2dl6 h GLU 34 Cb 0.00 -0.01 -0.15 0.00 0.50 0.00 0.00 28.75 29.09 2dl6 h GLU 34 CO 0.00 0.87 0.13 -0.25 0.07 0.00 0.00 179.01 179.83 2dl6 n ASP 35 N -4.39 0.01 -4.84 3.06 8.00 -1.10 -4.31 116.55 112.97 2dl6 n ASP 35 Ca -0.04 1.41 -0.32 0.00 0.71 0.00 0.00 54.79 56.55 2dl6 n ASP 35 Cb 0.39 -0.56 -0.04 0.00 -0.02 0.00 0.00 41.12 40.89 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 -5.65 3.13 1.25 2.24 0.00 -1.20 -4.88 121.76 116.65 2dl6 s ALA 36 Ca -0.10 0.16 -0.21 0.00 0.00 0.00 0.00 51.96 51.81 2dl6 s ALA 36 Cb 0.26 -3.03 0.31 0.00 0.00 0.00 0.00 23.12 20.66 2dl6 s ALA 36 CO 0.65 -0.07 1.11 -1.25 0.00 0.00 0.00 175.76 176.21 2dl6 s PRO 37 N -3.74 -1.64 -0.11 0.00 0.04 -1.26 -4.77 135.00 123.51 2dl6 s PRO 37 Ca 0.58 -0.21 -0.09 0.00 0.04 0.00 0.00 61.00 61.32 2dl6 s PRO 37 Cb -0.10 -1.56 -0.04 0.00 0.04 0.00 0.00 34.50 32.84 2dl6 s PRO 37 CO 0.26 -3.96 0.19 1.03 0.04 0.00 0.00 177.00 174.56 2dl6 s ARG 38 N -5.52 3.66 0.36 4.56 0.52 -1.26 -2.73 118.95 118.53 2dl6 s ARG 38 Ca 0.72 -0.04 0.18 0.00 -0.52 0.00 0.00 55.73 56.08 2dl6 s ARG 38 Cb -0.07 -3.24 1.25 0.00 0.52 0.00 0.00 34.95 33.41 2dl6 s ARG 38 CO 0.56 0.68 1.61 -0.09 0.02 0.00 0.00 175.30 178.07 2dl6 h ARG 39 N 5.24 0.11 0.60 3.54 1.12 -1.46 0.18 114.38 123.71 2dl6 h ARG 39 Ca -0.52 -0.01 -0.02 0.00 -1.11 0.00 0.00 59.98 58.32 2dl6 h ARG 39 Cb 1.21 -0.03 -0.01 0.00 -0.01 0.00 0.00 29.97 31.14 2dl6 h ARG 39 CO 0.62 0.07 -0.45 0.00 -3.11 0.00 0.00 179.97 177.10 2dl6 h ALA 40 N 1.95 -1.19 0.00 2.80 0.00 -1.82 -1.64 119.26 119.36 2dl6 h ALA 40 Ca 0.81 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.51 2dl6 h ALA 40 Cb 2.03 0.61 0.00 0.00 0.00 0.00 0.00 17.79 20.43 2dl6 h ALA 40 CO -0.71 -1.17 0.00 -0.85 0.00 0.00 0.00 179.25 176.51 2dl6 n GLU 41 N -5.20 0.83 -0.13 0.00 0.28 0.08 -3.79 120.64 112.70 2dl6 n GLU 41 Ca -0.12 0.00 0.19 0.00 -0.16 0.00 0.00 57.16 57.06 2dl6 n GLU 41 Cb 0.44 -1.10 0.58 0.00 1.43 0.00 0.00 31.44 32.79 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 0.00 0.24 0.18 -1.84 5.85 0.27 0.11 115.31 120.12 2dl6 h LEU 42 Ca 0.00 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.73 2dl6 h LEU 42 Cb 0.00 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.00 2dl6 h LEU 42 CO 0.00 0.12 -0.08 -0.33 -0.34 0.00 0.00 178.44 177.81 2dl6 h GLU 43 N 0.26 -0.23 -0.56 1.25 5.08 -1.76 -0.18 114.58 118.45 2dl6 h GLU 43 Ca 0.36 0.02 0.16 0.00 -1.00 0.00 0.00 59.36 58.89 2dl6 h GLU 43 Cb 1.02 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.30 2dl6 h GLU 43 CO -0.08 -0.15 0.48 0.00 -1.00 0.00 0.00 179.01 178.26 2dl6 h MET 44 N -0.39 0.00 0.00 2.33 -0.00 -1.80 -0.44 114.93 114.63 2dl6 h MET 44 Ca -0.02 0.00 -0.10 0.00 -0.00 0.00 0.00 59.70 59.58 2dl6 h MET 44 Cb 0.18 0.00 0.01 0.00 -0.00 0.00 0.00 31.60 31.79 2dl6 h MET 44 CO 0.04 0.00 -0.39 2.35 -0.00 0.00 0.00 176.91 178.91 2dl6 h TRP 45 N 0.00 0.39 0.00 -0.10 7.01 -0.79 -3.13 115.95 119.33 2dl6 h TRP 45 Ca 0.26 -0.21 0.00 0.00 2.11 0.00 0.00 58.89 61.05 2dl6 h TRP 45 Cb 1.22 -0.04 0.00 0.00 -2.10 0.00 0.00 29.16 28.23 2dl6 h TRP 45 CO 0.00 1.03 0.00 1.28 -2.79 0.00 0.00 178.44 177.96 2dl6 n LEU 46 N -4.39 0.00 -0.08 0.65 4.77 -0.08 -0.17 117.00 117.70 2dl6 n LEU 46 Ca -0.10 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.74 2dl6 n LEU 46 Cb 0.58 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.57 2dl6 n LEU 46 CO 0.42 0.00 -0.01 1.56 -1.33 0.00 0.00 177.39 178.03 2dl6 h GLN 47 N 0.00 0.00 0.00 3.23 1.08 -1.28 -3.30 115.11 114.84 2dl6 h GLN 47 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2dl6 h GLN 47 Cb 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.43 2dl6 h GLN 47 CO 0.00 0.77 -0.68 0.41 -0.95 0.00 0.00 178.83 178.38 2dl6 n GLY 48 N 1.58 -0.31 1.07 3.46 0.00 -1.18 -4.46 105.19 105.34 2dl6 n GLY 48 Ca -0.15 -0.39 -0.04 0.00 0.00 0.00 0.00 46.02 45.45 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 -1.35 0.90 0.98 1.61 8.25 0.76 -4.74 115.22 121.63 2dl6 n HIS 49 Ca 0.02 -1.72 0.06 0.00 -0.26 0.00 0.00 57.72 55.83 2dl6 n HIS 49 Cb 0.22 -0.35 0.37 0.00 1.12 0.00 0.00 29.99 31.35 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 -1.03 0.49 0.03 -0.41 -0.04 -1.24 -3.15 135.00 129.64 2dl6 n PRO 50 Ca 0.29 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.80 2dl6 n PRO 50 Cb 0.83 -1.40 0.24 0.00 -0.04 0.00 0.00 33.50 33.13 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 -0.90 0.04 -3.05 0.54 -0.58 -1.26 -4.69 120.64 110.74 2dl6 n GLU 51 Ca 0.09 0.40 -0.20 0.00 -0.42 0.00 0.00 57.16 57.04 2dl6 n GLU 51 Cb 0.04 -1.59 0.06 0.00 -0.57 0.00 0.00 31.44 29.38 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 -3.09 1.46 -0.14 -0.32 0.40 -1.19 -3.50 117.98 111.61 2dl6 s PHE 52 Ca 0.03 -0.71 -0.06 0.00 -0.60 0.00 0.00 56.93 55.59 2dl6 s PHE 52 Cb 0.05 -2.21 0.06 0.00 0.51 0.00 0.00 43.02 41.44 2dl6 s PHE 52 CO 0.17 -1.12 0.31 0.00 0.70 0.00 0.00 175.22 175.28 2dl6 s ALA 53 N -2.66 -0.73 0.15 5.36 0.00 -0.96 -4.90 121.76 118.03 2dl6 s ALA 53 Ca 0.61 1.14 -0.34 0.00 0.00 0.00 0.00 51.96 53.37 2dl6 s ALA 53 Cb -0.06 -0.94 -0.15 0.00 0.00 0.00 0.00 23.12 21.97 2dl6 s ALA 53 CO 0.38 -0.47 1.43 0.28 0.00 0.00 0.00 175.76 177.38 2dl6 n VAL 54 N 4.86 0.26 -1.73 0.00 0.31 -1.26 0.13 118.33 120.89 2dl6 n VAL 54 Ca -0.15 -0.06 -0.42 0.00 -0.01 0.00 0.00 64.34 63.70 2dl6 n VAL 54 Cb 0.51 -1.22 -0.01 0.00 -0.91 0.00 0.00 33.84 32.21 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 2.77 3.43 0.01 4.52 2.03 -1.17 -4.78 116.55 123.36 2dl6 n ASP 55 Ca 0.16 1.19 -0.07 0.00 0.52 0.00 0.00 54.79 56.59 2dl6 n ASP 55 Cb 0.26 -1.55 0.11 0.00 -0.72 0.00 0.00 41.12 39.21 2dl6 n ASP 55 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 2dl6 h PRO 56 N 3.63 0.52 -0.60 -0.67 0.13 -1.95 -3.18 132.00 129.89 2dl6 h PRO 56 Ca -0.48 -0.27 0.08 0.00 -0.87 0.00 0.00 66.00 64.46 2dl6 h PRO 56 Cb 1.25 0.01 -0.07 0.00 0.13 0.00 0.00 31.00 32.32 2dl6 h PRO 56 CO 0.70 0.85 0.24 0.00 -0.23 0.00 0.00 178.00 179.57 2dl6 h ARG 57 N 0.42 0.43 0.45 0.86 -0.00 -2.02 -2.64 114.38 111.89 2dl6 h ARG 57 Ca 0.03 -0.03 -0.01 0.00 -0.50 0.00 0.00 59.98 59.47 2dl6 h ARG 57 Cb 0.93 -0.10 -0.01 0.00 0.00 0.00 0.00 29.97 30.79 2dl6 h ARG 57 CO 0.08 0.28 -0.32 0.35 0.00 0.00 0.00 179.97 180.36 2dl6 h PHE 58 N 0.44 -0.86 -0.92 3.04 3.57 -1.95 -3.09 116.94 117.18 2dl6 h PHE 58 Ca 0.29 -0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.87 2dl6 h PHE 58 Cb 0.33 0.32 -0.11 0.00 2.79 0.00 0.00 35.95 39.27 2dl6 h PHE 58 CO -0.15 -0.48 -0.54 1.28 -2.23 0.00 0.00 178.31 176.19 2dl6 n LEU 59 N -5.45 -0.97 -0.13 0.59 4.77 -1.01 -1.48 117.00 113.31 2dl6 n LEU 59 Ca -0.11 1.70 -0.03 0.00 -0.03 0.00 0.00 56.01 57.54 2dl6 n LEU 59 Cb 0.35 -0.24 -0.03 0.00 -2.33 0.00 0.00 43.42 41.16 2dl6 n LEU 59 CO 0.32 -1.36 0.37 0.00 -1.33 0.00 0.00 177.39 175.39 2dl6 n ALA 60 N -3.24 -0.20 -0.30 -1.18 0.00 -1.11 -0.02 120.51 114.47 2dl6 n ALA 60 Ca 0.02 0.26 -0.02 0.00 0.00 0.00 0.00 53.44 53.70 2dl6 n ALA 60 Cb 0.24 0.19 0.02 0.00 0.00 0.00 0.00 19.45 19.90 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 -3.64 -0.01 -0.37 0.00 4.19 -0.55 0.65 117.16 117.43 2dl6 n TYR 61 Ca 0.01 0.94 0.01 0.00 3.31 0.00 0.00 57.90 62.17 2dl6 n TYR 61 Cb 0.08 -0.76 0.07 0.00 0.49 0.00 0.00 39.34 39.22 2dl6 n TYR 61 CO 0.00 0.00 0.00 -1.33 0.91 0.00 0.00 176.86 176.44 2dl6 n MET 62 N -5.11 -0.18 -0.13 2.98 0.00 0.97 0.35 117.12 115.99 2dl6 n MET 62 Ca 0.07 1.51 -0.04 0.00 0.00 0.00 0.00 57.70 59.24 2dl6 n MET 62 Cb 0.30 -2.25 0.03 0.00 0.00 0.00 0.00 33.22 31.30 2dl6 n MET 62 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 175.97 176.90 2dl6 h GLU 63 N 0.00 0.02 -0.99 0.03 3.07 0.25 -0.65 114.58 116.31 2dl6 h GLU 63 Ca 0.38 -0.00 0.35 0.00 -0.50 0.00 0.00 59.36 59.59 2dl6 h GLU 63 Cb 0.63 -0.00 -0.16 0.00 -0.84 0.00 0.00 28.75 28.37 2dl6 h GLU 63 CO -0.98 0.01 0.49 -0.44 -1.40 0.00 0.00 179.01 176.69 2dl6 h ASP 64 N 0.02 0.32 -0.79 1.42 5.19 0.00 0.08 116.42 122.66 2dl6 h ASP 64 Ca 0.21 0.23 0.15 0.00 -0.62 0.00 0.00 57.03 57.00 2dl6 h ASP 64 Cb 0.32 0.23 -0.15 0.00 0.18 0.00 0.00 39.33 39.92 2dl6 h ASP 64 CO -0.43 -0.28 -0.22 0.54 -3.12 0.00 0.00 179.24 175.73 2dl6 n ARG 65 N -5.18 -0.10 0.22 3.56 5.12 -0.25 -0.04 116.66 120.00 2dl6 n ARG 65 Ca 0.33 1.23 -0.14 0.00 -1.93 0.00 0.00 57.85 57.33 2dl6 n ARG 65 Cb 1.06 -1.84 -0.08 0.00 -1.16 0.00 0.00 32.46 30.45 2dl6 n ARG 65 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2dl6 h ARG 66 N 0.00 -0.55 -0.75 5.56 3.08 -1.14 -3.18 114.38 117.40 2dl6 h ARG 66 Ca 0.36 0.04 0.13 0.00 0.07 0.00 0.00 59.98 60.57 2dl6 h ARG 66 Cb 0.55 0.12 -0.13 0.00 0.08 0.00 0.00 29.97 30.60 2dl6 h ARG 66 CO -0.81 -0.26 -0.26 1.17 -1.07 0.00 0.00 179.97 178.74 2dl6 n LYS 67 N -5.24 -0.14 -0.26 0.04 4.81 0.94 0.62 118.16 118.94 2dl6 n LYS 67 Ca -0.11 1.16 0.06 0.00 -0.87 0.00 0.00 58.31 58.55 2dl6 n LYS 67 Cb 0.29 -1.72 0.12 0.00 0.02 0.00 0.00 35.03 33.73 2dl6 n LYS 67 CO 0.00 0.00 0.00 0.94 1.17 0.00 0.00 177.40 179.51 2dl6 n GLN 68 N -5.14 -0.06 -3.85 1.64 7.27 -0.84 -3.88 117.38 112.52 2dl6 n GLN 68 Ca 0.09 1.11 -0.26 0.00 0.07 0.00 0.00 57.00 58.02 2dl6 n GLN 68 Cb 0.32 -1.68 -0.17 0.00 2.41 0.00 0.00 30.24 31.12 2dl6 n GLN 68 CO 0.00 0.00 0.00 0.15 0.07 0.00 0.00 177.06 177.28 2dl6 s LYS 69 N -5.86 1.15 -0.24 3.69 1.02 0.20 -5.01 119.74 114.69 2dl6 s LYS 69 Ca -0.11 -0.15 -0.09 0.00 0.02 0.00 0.00 55.97 55.65 2dl6 s LYS 69 Cb 0.20 -1.41 -0.16 0.00 -0.52 0.00 0.00 37.83 35.93 2dl6 s LYS 69 CO 0.56 -0.31 -0.15 -2.67 -0.92 0.00 0.00 175.35 171.86 2dl6 n TRP 70 N 5.02 0.28 -0.65 3.18 2.14 -1.25 -4.82 117.44 121.34 2dl6 n TRP 70 Ca -0.10 0.09 -0.31 0.00 2.07 0.00 0.00 57.50 59.24 2dl6 n TRP 70 Cb 0.50 -1.03 0.18 0.00 -0.81 0.00 0.00 31.31 30.15 2dl6 n TRP 70 CO 0.00 0.00 0.00 0.00 2.07 0.00 0.00 177.69 179.76 2dl6 n GLN 71 N -3.84 -1.49 -3.62 -2.67 10.64 -1.26 -5.04 117.38 110.10 2dl6 n GLN 71 Ca -0.46 -0.41 -0.05 0.00 -1.83 0.00 0.00 57.00 54.25 2dl6 n GLN 71 Cb 0.92 -1.88 -0.02 0.00 -0.86 0.00 0.00 30.24 28.40 2dl6 n GLN 71 CO 0.00 0.00 0.00 -0.98 -1.83 0.00 0.00 177.06 174.25 2dl6 s ARG 72 N -3.77 0.92 0.32 2.61 1.70 -1.26 -5.14 118.95 114.33 2dl6 s ARG 72 Ca 0.60 -0.44 -0.29 0.00 -0.47 0.00 0.00 55.73 55.13 2dl6 s ARG 72 Cb -0.17 0.36 -0.12 0.00 -0.57 0.00 0.00 34.95 34.45 2dl6 s ARG 72 CO 0.66 -0.41 1.47 0.00 -1.08 0.00 0.00 175.30 175.93 2dl6 s LYS 74 N -1.30 3.92 -0.06 0.00 1.02 -1.26 -5.08 119.74 116.97 2dl6 s LYS 74 Ca 0.59 0.83 0.01 0.00 0.02 0.00 0.00 55.97 57.42 2dl6 s LYS 74 Cb -0.53 -2.21 0.02 0.00 -0.52 0.00 0.00 37.83 34.59 2dl6 s LYS 74 CO 0.57 -0.19 -0.07 -1.59 -0.92 0.00 0.00 175.35 173.15 2dl6 s LYS 75 N -3.94 1.16 0.39 1.68 0.00 -1.26 -5.02 119.74 112.76 2dl6 s LYS 75 Ca 0.57 -0.19 0.07 0.00 0.00 0.00 0.00 55.97 56.42 2dl6 s LYS 75 Cb -0.10 -1.13 0.82 0.00 0.00 0.00 0.00 37.83 37.42 2dl6 s LYS 75 CO 0.30 -0.10 2.00 -0.97 0.00 0.00 0.00 175.35 176.58 2dl6 h ASN 76 N 7.39 0.56 -1.35 0.03 -0.73 -2.07 -2.48 115.58 116.92 2dl6 h ASN 76 Ca -0.33 -0.00 0.42 0.00 1.87 0.00 0.00 56.30 58.26 2dl6 h ASN 76 Cb 1.16 -0.13 -0.09 0.00 0.27 0.00 0.00 38.32 39.53 2dl6 h ASN 76 CO 0.44 0.38 0.93 -3.20 -0.37 0.00 0.00 177.43 175.61 2dl6 n ASN 77 N -4.47 0.08 -4.76 1.15 5.15 -1.26 -4.32 115.26 106.83 2dl6 n ASN 77 Ca 0.07 0.95 -0.41 0.00 -0.60 0.00 0.00 54.58 54.59 2dl6 n ASN 77 Cb 0.17 -0.47 -0.02 0.00 -0.53 0.00 0.00 39.78 38.93 2dl6 n ASN 77 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 2dl6 s SER 78 N -4.11 6.64 0.15 1.20 1.04 -0.94 -4.76 113.70 112.93 2dl6 s SER 78 Ca -0.05 2.73 0.00 0.00 0.48 0.00 0.00 55.95 59.11 2dl6 s SER 78 Cb 0.23 -2.64 0.00 0.00 0.10 0.00 0.00 66.02 63.72 2dl6 s SER 78 CO 0.69 -0.69 0.00 0.61 0.98 0.00 0.00 173.24 174.83 2dl6 n GLY 79 N 1.65 -1.80 0.00 7.32 0.00 -1.26 -4.93 105.19 106.16 2dl6 n GLY 79 Ca 0.04 0.52 0.06 0.00 0.00 0.00 0.00 46.02 46.64 2dl6 n GLY 79 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dl6 n PRO 80 N -2.71 0.49 -1.66 1.61 -0.04 -1.26 -4.84 135.00 126.59 2dl6 n PRO 80 Ca 0.00 0.00 -0.37 0.00 -0.04 0.00 0.00 63.50 63.09 2dl6 n PRO 80 Cb 0.00 -1.36 0.06 0.00 -0.04 0.00 0.00 33.50 32.16 2dl6 n PRO 80 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2dl6 n SER 81 N -0.86 1.25 -3.00 3.54 7.64 -1.26 -2.82 113.62 118.11 2dl6 n SER 81 Ca 0.09 0.81 -0.20 0.00 1.01 0.00 0.00 58.87 60.58 2dl6 n SER 81 Cb 0.04 -1.45 0.06 0.00 -1.01 0.00 0.00 64.21 61.85 2dl6 n SER 81 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2dl6 n SER 82 N -1.21 -5.65 0.00 6.43 7.64 -1.26 -5.22 113.62 114.35 2dl6 n SER 82 Ca 0.15 -0.41 0.00 0.00 1.01 0.00 0.00 58.87 59.61 2dl6 n SER 82 Cb 0.48 -4.30 0.00 0.00 -1.01 0.00 0.00 64.21 59.38 2dl6 n SER 82 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64