#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 6.19 -0.16 1.61 0.01 -1.26 -5.05 113.70 115.04 2dl6 s SER 2 Ca 0.00 0.29 -0.15 0.00 1.31 0.00 0.00 55.95 57.40 2dl6 s SER 2 Cb 0.00 -1.84 -0.12 0.00 0.21 0.00 0.00 66.02 64.27 2dl6 s SER 2 CO 0.00 -0.34 0.11 -1.28 0.41 0.00 0.00 173.24 172.15 2dl6 h SER 3 N 0.78 0.00 0.00 2.44 0.87 -2.12 -3.50 113.55 112.03 2dl6 h SER 3 Ca -0.49 -0.32 0.00 0.00 -1.23 0.00 0.00 61.79 59.75 2dl6 h SER 3 Cb 1.23 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.19 2dl6 h SER 3 CO 0.60 1.04 0.00 0.61 -0.53 0.00 0.00 176.83 178.55 2dl6 n GLY 4 N 1.57 0.57 3.96 5.77 0.00 -1.26 -5.13 105.19 110.67 2dl6 n GLY 4 Ca -0.16 -0.06 -0.23 0.00 0.00 0.00 0.00 46.02 45.56 2dl6 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dl6 s SER 5 N -0.98 4.88 -0.01 1.61 1.04 -1.26 -5.12 113.70 113.86 2dl6 s SER 5 Ca 0.00 0.08 0.01 0.00 0.48 0.00 0.00 55.95 56.52 2dl6 s SER 5 Cb 0.00 -0.76 0.00 0.00 0.10 0.00 0.00 66.02 65.36 2dl6 s SER 5 CO 0.00 -1.48 -0.03 -0.44 0.98 0.00 0.00 173.24 172.27 2dl6 s SER 6 N -4.53 0.42 0.00 7.02 0.01 -1.26 -5.02 113.70 110.34 2dl6 s SER 6 Ca 0.60 -0.06 0.00 0.00 1.31 0.00 0.00 55.95 57.81 2dl6 s SER 6 Cb -0.09 -0.09 0.00 0.00 0.21 0.00 0.00 66.02 66.05 2dl6 s SER 6 CO 0.42 0.01 0.00 0.61 0.41 0.00 0.00 173.24 174.69 2dl6 n GLY 7 N 3.23 0.94 3.52 3.44 0.00 -1.26 -5.18 105.19 109.87 2dl6 n GLY 7 Ca -0.16 -0.59 -0.15 0.00 0.00 0.00 0.00 46.02 45.13 2dl6 n GLY 7 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2dl6 s GLU 8 N -0.15 0.98 0.00 1.61 1.03 -1.26 -5.02 118.70 115.90 2dl6 s GLU 8 Ca 0.00 0.09 0.07 0.00 0.03 0.00 0.00 54.97 55.16 2dl6 s GLU 8 Cb 0.00 0.46 0.44 0.00 -0.80 0.00 0.00 34.13 34.23 2dl6 s GLU 8 CO 0.00 -0.34 0.89 -0.35 -1.33 0.00 0.00 175.26 174.13 2dl6 n PRO 9 N 0.60 0.49 -3.39 -4.83 -0.04 -1.26 -4.82 135.00 121.74 2dl6 n PRO 9 Ca -0.16 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.11 2dl6 n PRO 9 Cb 0.59 -1.24 0.08 0.00 -0.04 0.00 0.00 33.50 32.89 2dl6 n PRO 9 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2dl6 n ASN 10 N -0.74 -4.04 -4.71 3.54 4.13 -1.26 -4.95 115.26 107.23 2dl6 n ASN 10 Ca 0.05 -0.52 -0.34 0.00 1.68 0.00 0.00 54.58 55.45 2dl6 n ASN 10 Cb 0.03 -4.63 0.11 0.00 -1.54 0.00 0.00 39.78 33.75 2dl6 n ASN 10 CO 0.00 0.00 0.00 -1.38 0.28 0.00 0.00 177.26 176.16 2dl6 s HIS 11 N -3.31 1.87 -0.09 3.10 -3.43 -1.26 -5.03 115.29 107.15 2dl6 s HIS 11 Ca 0.27 1.62 0.03 0.00 -0.80 0.00 0.00 55.06 56.18 2dl6 s HIS 11 Cb -0.12 -3.56 0.01 0.00 -1.43 0.00 0.00 32.58 27.48 2dl6 s HIS 11 CO 0.66 -2.90 -0.17 -0.51 -2.00 0.00 0.00 174.74 169.81 2dl6 s LEU 12 N -5.31 1.84 -0.27 5.38 1.02 -1.26 -5.10 118.68 114.98 2dl6 s LEU 12 Ca 0.76 -0.43 -0.04 0.00 0.02 0.00 0.00 54.13 54.44 2dl6 s LEU 12 Cb -0.32 -1.10 0.09 0.00 0.02 0.00 0.00 46.19 44.88 2dl6 s LEU 12 CO 0.47 0.08 0.12 -0.62 0.02 0.00 0.00 176.35 176.43 2dl6 s ASP 13 N 0.59 3.31 0.45 2.29 -1.08 -1.26 -5.14 116.67 115.83 2dl6 s ASP 13 Ca -0.15 -1.16 -0.02 0.00 -0.52 0.00 0.00 52.55 50.70 2dl6 s ASP 13 Cb -0.16 -0.33 -0.02 0.00 -1.46 0.00 0.00 42.92 40.94 2dl6 s ASP 13 CO 0.05 -0.42 0.70 0.68 0.52 0.00 0.00 175.17 176.70 2dl6 s VAL 14 N 2.11 4.56 0.32 1.11 -7.23 -1.26 -5.01 120.40 115.00 2dl6 s VAL 14 Ca 0.08 -0.21 -0.03 0.00 -1.81 0.00 0.00 61.98 60.01 2dl6 s VAL 14 Cb -0.16 -3.71 -0.00 0.00 0.56 0.00 0.00 36.38 33.07 2dl6 s VAL 14 CO -0.31 -0.58 0.43 -1.81 -0.31 0.00 0.00 175.10 172.52 2dl6 s ASP 15 N -4.14 0.81 0.39 4.85 1.01 -1.26 -4.94 116.67 113.38 2dl6 s ASP 15 Ca 0.46 -1.44 0.17 0.00 0.71 0.00 0.00 52.55 52.45 2dl6 s ASP 15 Cb -0.10 0.63 0.90 0.00 1.01 0.00 0.00 42.92 45.36 2dl6 s ASP 15 CO 0.40 -1.23 1.43 -0.07 0.21 0.00 0.00 175.17 175.92 2dl6 h LEU 16 N 2.17 0.00 0.04 1.23 3.38 -1.98 0.11 115.31 120.25 2dl6 h LEU 16 Ca -0.28 0.00 -0.38 0.00 0.09 0.00 0.00 57.88 57.31 2dl6 h LEU 16 Cb 1.24 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.94 2dl6 h LEU 16 CO 0.39 0.00 -2.31 -1.84 0.09 0.00 0.00 178.44 174.78 2dl6 n GLU 17 N -2.22 0.69 -1.63 1.13 0.28 -1.26 -3.93 120.64 113.69 2dl6 n GLU 17 Ca -0.01 0.18 -0.40 0.00 -0.16 0.00 0.00 57.16 56.77 2dl6 n GLU 17 Cb 0.32 -1.59 0.03 0.00 1.43 0.00 0.00 31.44 31.63 2dl6 n GLU 17 CO 0.00 0.00 0.00 2.41 -0.16 0.00 0.00 177.13 179.38 2dl6 n THR 18 N -3.29 3.01 -2.97 3.84 -1.04 0.38 -4.79 114.28 109.41 2dl6 n THR 18 Ca -0.40 -0.50 -0.19 0.00 -2.04 0.00 0.00 64.05 60.92 2dl6 n THR 18 Cb 1.02 -1.24 0.02 0.00 -1.82 0.00 0.00 70.33 68.31 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 -2.38 2.81 -0.07 -2.82 1.81 -1.26 -2.38 118.95 114.66 2dl6 s ARG 19 Ca 0.68 -1.01 -0.03 0.00 -1.72 0.00 0.00 55.73 53.66 2dl6 s ARG 19 Cb -0.48 -2.67 0.04 0.00 -0.45 0.00 0.00 34.95 31.38 2dl6 s ARG 19 CO 0.53 -0.35 0.13 0.42 -0.68 0.00 0.00 175.30 175.35 2dl6 s ILE 20 N -2.46 -0.18 0.31 1.52 -1.09 -1.20 -4.84 121.20 113.27 2dl6 s ILE 20 Ca 0.54 0.33 -0.29 0.00 -2.23 0.00 0.00 60.65 58.99 2dl6 s ILE 20 Cb -0.10 -0.24 -0.10 0.00 -1.58 0.00 0.00 42.46 40.44 2dl6 s ILE 20 CO 0.35 0.14 1.23 -2.16 -1.23 0.00 0.00 174.94 173.26 2dl6 s PRO 21 N 1.96 4.46 -0.02 2.79 0.04 -1.26 -4.54 135.00 138.44 2dl6 s PRO 21 Ca 0.00 2.06 -0.00 0.00 0.04 0.00 0.00 61.00 63.10 2dl6 s PRO 21 Cb -0.12 -3.12 0.03 0.00 0.04 0.00 0.00 34.50 31.33 2dl6 s PRO 21 CO -0.05 -0.04 0.03 0.14 0.04 0.00 0.00 177.00 177.12 2dl6 s VAL 22 N -1.10 -0.05 -0.33 -0.36 -7.23 -1.20 -2.29 120.40 107.85 2dl6 s VAL 22 Ca 0.48 0.18 -0.12 0.00 -1.81 0.00 0.00 61.98 60.71 2dl6 s VAL 22 Cb -0.37 -0.07 -0.01 0.00 0.56 0.00 0.00 36.38 36.49 2dl6 s VAL 22 CO 0.48 0.08 0.21 -0.51 -0.31 0.00 0.00 175.10 175.04 2dl6 s ILE 23 N 0.90 5.00 1.00 -0.62 2.07 0.13 -1.64 121.20 128.04 2dl6 s ILE 23 Ca -0.08 -0.32 -0.11 0.00 -1.41 0.00 0.00 60.65 58.73 2dl6 s ILE 23 Cb -0.11 -3.57 0.18 0.00 0.13 0.00 0.00 42.46 39.09 2dl6 s ILE 23 CO -0.03 0.01 1.04 -3.20 -1.91 0.00 0.00 174.94 170.86 2dl6 n ASN 24 N 5.05 -0.44 -0.06 4.50 4.05 -0.33 -2.64 115.26 125.40 2dl6 n ASN 24 Ca -0.13 0.24 -0.08 0.00 0.45 0.00 0.00 54.58 55.06 2dl6 n ASN 24 Cb 0.49 -1.39 -0.07 0.00 1.23 0.00 0.00 39.78 40.04 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 -4.27 1.02 0.34 1.20 4.01 -1.21 -3.65 118.16 115.59 2dl6 n LYS 25 Ca 0.09 0.05 -0.14 0.00 -0.51 0.00 0.00 58.31 57.80 2dl6 n LYS 25 Cb 0.53 -1.27 -0.07 0.00 -0.51 0.00 0.00 35.03 33.71 2dl6 n LYS 25 CO 0.00 0.00 0.00 0.28 -1.11 0.00 0.00 177.40 176.57 2dl6 h VAL 26 N 0.00 0.00 0.02 -0.18 2.07 -1.94 -3.37 116.25 112.85 2dl6 h VAL 26 Ca -0.30 0.00 -0.38 0.00 0.82 0.00 0.00 66.70 66.84 2dl6 h VAL 26 Cb 1.54 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 31.25 2dl6 h VAL 26 CO -0.03 0.00 -2.38 0.47 0.02 0.00 0.00 177.57 175.66 2dl6 n ASP 27 N -4.56 1.92 0.00 0.57 8.00 -1.26 -5.04 116.55 116.18 2dl6 n ASP 27 Ca -0.11 -0.06 0.00 0.00 0.71 0.00 0.00 54.79 55.33 2dl6 n ASP 27 Cb 0.36 -0.44 0.00 0.00 -0.02 0.00 0.00 41.12 41.02 2dl6 n ASP 27 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2dl6 n GLY 28 N 2.18 0.97 3.74 0.44 0.00 -1.24 -5.05 105.19 106.23 2dl6 n GLY 28 Ca -0.42 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.23 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 -1.94 5.28 -0.18 2.61 2.01 -1.26 -4.73 115.64 117.44 2dl6 s THR 29 Ca 0.00 0.59 -0.14 0.00 0.31 0.00 0.00 61.69 62.45 2dl6 s THR 29 Cb 0.00 -3.64 -0.05 0.00 0.01 0.00 0.00 72.50 68.82 2dl6 s THR 29 CO 0.00 0.41 0.30 -0.22 -0.69 0.00 0.00 174.62 174.42 2dl6 s LEU 30 N 0.28 4.21 -0.23 4.42 2.96 -1.26 -1.18 118.68 127.88 2dl6 s LEU 30 Ca 0.18 0.47 -0.12 0.00 -0.22 0.00 0.00 54.13 54.44 2dl6 s LEU 30 Cb -0.13 -2.38 -0.05 0.00 0.50 0.00 0.00 46.19 44.13 2dl6 s LEU 30 CO 0.05 0.06 0.21 -0.76 -1.32 0.00 0.00 176.35 174.59 2dl6 s LEU 31 N 0.71 4.13 0.06 -0.68 1.43 -0.65 -4.97 118.68 118.71 2dl6 s LEU 31 Ca 0.16 0.20 0.02 0.00 -1.03 0.00 0.00 54.13 53.49 2dl6 s LEU 31 Cb -0.13 -2.19 -0.03 0.00 0.03 0.00 0.00 46.19 43.87 2dl6 s LEU 31 CO 0.05 0.04 -0.08 0.68 0.23 0.00 0.00 176.35 177.27 2dl6 s VAL 32 N 1.09 0.61 0.00 -1.59 -7.23 -1.26 -3.21 120.40 108.80 2dl6 s VAL 32 Ca 0.10 -1.28 0.00 0.00 -1.81 0.00 0.00 61.98 58.99 2dl6 s VAL 32 Cb -0.14 -0.87 0.00 0.00 0.56 0.00 0.00 36.38 35.94 2dl6 s VAL 32 CO 0.05 -0.48 0.00 0.61 -0.31 0.00 0.00 175.10 174.97 2dl6 n GLY 33 N 1.12 2.39 0.13 2.32 0.00 -1.26 -2.99 105.19 106.90 2dl6 n GLY 33 Ca -0.20 -0.34 -0.15 0.00 0.00 0.00 0.00 46.02 45.33 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 0.33 -1.05 1.61 9.09 -1.98 -3.27 114.58 119.30 2dl6 h GLU 34 Ca 0.00 -0.46 0.30 0.00 0.05 0.00 0.00 59.36 59.25 2dl6 h GLU 34 Cb 0.00 0.16 -0.12 0.00 -1.65 0.00 0.00 28.75 27.13 2dl6 h GLU 34 CO 0.00 1.17 0.64 -0.44 0.05 0.00 0.00 179.01 180.43 2dl6 h ASP 35 N 0.14 0.51 -3.50 3.06 3.32 -1.92 -3.39 116.42 114.63 2dl6 h ASP 35 Ca -0.11 0.14 -0.53 0.00 0.02 0.00 0.00 57.03 56.55 2dl6 h ASP 35 Cb 1.81 0.07 -0.03 0.00 0.22 0.00 0.00 39.33 41.40 2dl6 h ASP 35 CO 0.19 -0.01 0.10 0.00 -1.72 0.00 0.00 179.24 177.80 2dl6 s ALA 36 N -5.60 3.45 1.12 3.45 0.00 -1.24 -4.86 121.76 118.08 2dl6 s ALA 36 Ca -0.10 0.20 -0.16 0.00 0.00 0.00 0.00 51.96 51.90 2dl6 s ALA 36 Cb 0.28 -2.83 0.25 0.00 0.00 0.00 0.00 23.12 20.82 2dl6 s ALA 36 CO 0.80 0.33 1.10 -1.25 0.00 0.00 0.00 175.76 176.74 2dl6 s PRO 37 N -1.61 -0.53 0.29 0.00 0.04 -1.26 -4.75 135.00 127.18 2dl6 s PRO 37 Ca 0.39 0.18 -0.07 0.00 0.04 0.00 0.00 61.00 61.54 2dl6 s PRO 37 Cb -0.19 -1.65 -0.06 0.00 0.04 0.00 0.00 34.50 32.64 2dl6 s PRO 37 CO 0.22 -3.30 0.59 1.03 0.04 0.00 0.00 177.00 175.58 2dl6 s ARG 38 N -5.20 3.70 0.20 4.56 0.52 -1.26 -3.21 118.95 118.26 2dl6 s ARG 38 Ca 0.68 0.15 -0.10 0.00 -0.52 0.00 0.00 55.73 55.95 2dl6 s ARG 38 Cb -0.14 -2.60 0.23 0.00 0.52 0.00 0.00 34.95 32.96 2dl6 s ARG 38 CO 0.57 0.20 1.78 -0.09 0.02 0.00 0.00 175.30 177.78 2dl6 h ARG 39 N 1.83 0.54 0.05 3.54 9.65 -1.66 0.78 114.38 129.11 2dl6 h ARG 39 Ca -0.47 -0.03 0.01 0.00 -1.10 0.00 0.00 59.98 58.38 2dl6 h ARG 39 Cb 1.18 -0.12 -0.03 0.00 -1.39 0.00 0.00 29.97 29.62 2dl6 h ARG 39 CO 0.66 0.36 -0.29 0.00 2.80 0.00 0.00 179.97 183.50 2dl6 h ALA 40 N 1.35 -0.79 0.00 2.80 0.00 -1.78 -2.09 119.26 118.75 2dl6 h ALA 40 Ca 0.28 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 55.08 2dl6 h ALA 40 Cb 0.24 0.71 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 2dl6 h ALA 40 CO -0.21 -0.87 -0.27 1.05 0.00 0.00 0.00 179.25 178.95 2dl6 h GLU 41 N -0.41 0.00 -1.01 0.00 4.11 -1.82 -3.18 114.58 112.27 2dl6 h GLU 41 Ca -0.00 0.00 0.34 0.00 0.07 0.00 0.00 59.36 59.76 2dl6 h GLU 41 Cb 0.41 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.58 2dl6 h GLU 41 CO -0.17 0.27 0.67 -0.11 0.07 0.00 0.00 179.01 179.74 2dl6 n LEU 42 N -3.74 0.12 0.41 3.06 7.94 0.27 0.71 117.00 125.77 2dl6 n LEU 42 Ca -0.01 0.89 -0.16 0.00 -1.11 0.00 0.00 56.01 55.61 2dl6 n LEU 42 Cb 0.37 -0.44 -0.08 0.00 0.53 0.00 0.00 43.42 43.81 2dl6 n LEU 42 CO 0.35 -0.95 0.49 -0.33 -1.11 0.00 0.00 177.39 175.83 2dl6 h GLU 43 N 0.00 -1.02 -0.19 1.96 5.08 -1.65 0.24 114.58 119.00 2dl6 h GLU 43 Ca 0.60 0.07 -0.08 0.00 -1.00 0.00 0.00 59.36 58.95 2dl6 h GLU 43 Cb 2.04 0.23 -0.01 0.00 0.50 0.00 0.00 28.75 31.51 2dl6 h GLU 43 CO -0.26 -0.68 -0.23 0.52 -1.00 0.00 0.00 179.01 177.36 2dl6 h MET 44 N -1.13 0.35 -0.54 2.33 2.86 0.03 -2.82 114.93 116.01 2dl6 h MET 44 Ca -0.11 -0.12 -0.10 0.00 -2.06 0.00 0.00 59.70 57.31 2dl6 h MET 44 Cb 0.81 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 32.42 2dl6 h MET 44 CO 0.18 0.57 -0.08 2.35 1.06 0.00 0.00 176.91 180.99 2dl6 h TRP 45 N 0.31 1.08 0.00 -0.22 7.01 -0.56 -2.29 115.95 121.28 2dl6 h TRP 45 Ca 0.05 -0.21 0.00 0.00 2.11 0.00 0.00 58.89 60.84 2dl6 h TRP 45 Cb 0.59 -0.27 0.00 0.00 -2.10 0.00 0.00 29.16 27.37 2dl6 h TRP 45 CO 0.01 1.00 0.00 1.28 -2.79 0.00 0.00 178.44 177.94 2dl6 n LEU 46 N -4.16 0.60 -0.04 0.65 4.77 0.82 0.38 117.00 120.03 2dl6 n LEU 46 Ca 0.02 0.66 -0.13 0.00 -0.03 0.00 0.00 56.01 56.53 2dl6 n LEU 46 Cb 0.38 -0.59 -0.08 0.00 -2.33 0.00 0.00 43.42 40.80 2dl6 n LEU 46 CO 0.45 -0.57 0.66 1.56 -1.33 0.00 0.00 177.39 178.15 2dl6 h GLN 47 N 0.00 0.21 -0.00 3.23 1.08 -1.28 -2.65 115.11 115.70 2dl6 h GLN 47 Ca 0.00 -0.10 0.00 0.00 -1.45 0.00 0.00 58.65 57.10 2dl6 h GLN 47 Cb 0.32 -0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.75 2dl6 h GLN 47 CO 0.00 0.58 -0.56 0.41 -0.95 0.00 0.00 178.83 178.31 2dl6 n GLY 48 N 0.06 -0.23 1.04 3.46 0.00 -1.13 -4.46 105.19 103.92 2dl6 n GLY 48 Ca -0.07 -0.39 -0.03 0.00 0.00 0.00 0.00 46.02 45.53 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 -1.06 0.85 0.94 1.61 8.25 0.16 -4.73 115.22 121.25 2dl6 n HIS 49 Ca 0.03 -1.70 0.08 0.00 -0.26 0.00 0.00 57.72 55.87 2dl6 n HIS 49 Cb 0.23 -0.35 0.45 0.00 1.12 0.00 0.00 29.99 31.45 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 -1.04 0.45 0.00 -0.41 -0.04 -1.00 -2.97 135.00 130.00 2dl6 n PRO 50 Ca 0.28 0.02 0.06 0.00 -0.04 0.00 0.00 63.50 63.82 2dl6 n PRO 50 Cb 0.82 -1.50 0.32 0.00 -0.04 0.00 0.00 33.50 33.10 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 -1.04 0.15 -3.47 0.54 -0.58 -1.26 -4.72 120.64 110.26 2dl6 n GLU 51 Ca 0.11 0.19 -0.23 0.00 -0.42 0.00 0.00 57.16 56.81 2dl6 n GLU 51 Cb 0.06 -1.50 0.02 0.00 -0.57 0.00 0.00 31.44 29.45 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 -2.66 1.67 -0.22 -0.32 0.40 -1.16 -3.32 117.98 112.37 2dl6 s PHE 52 Ca 0.11 -0.75 -0.08 0.00 -0.60 0.00 0.00 56.93 55.61 2dl6 s PHE 52 Cb 0.09 -2.08 0.10 0.00 0.51 0.00 0.00 43.02 41.64 2dl6 s PHE 52 CO 0.20 -0.73 0.48 0.00 0.70 0.00 0.00 175.22 175.87 2dl6 s ALA 53 N -2.69 -1.36 0.30 5.36 0.00 -1.08 -4.92 121.76 117.37 2dl6 s ALA 53 Ca 0.48 1.71 -0.28 0.00 0.00 0.00 0.00 51.96 53.86 2dl6 s ALA 53 Cb -0.04 -1.40 -0.13 0.00 0.00 0.00 0.00 23.12 21.54 2dl6 s ALA 53 CO 0.30 -0.75 1.13 0.28 0.00 0.00 0.00 175.76 176.71 2dl6 n VAL 54 N 5.31 1.89 -1.63 0.00 0.31 -1.26 0.22 118.33 123.17 2dl6 n VAL 54 Ca -0.10 -0.47 -0.46 0.00 -0.01 0.00 0.00 64.34 63.29 2dl6 n VAL 54 Cb 0.50 -1.20 -0.03 0.00 -0.91 0.00 0.00 33.84 32.20 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 1.16 2.14 0.19 4.52 2.03 -0.97 -4.74 116.55 120.87 2dl6 n ASP 55 Ca 0.08 1.14 0.04 0.00 0.52 0.00 0.00 54.79 56.58 2dl6 n ASP 55 Cb 0.33 -1.34 0.36 0.00 -0.72 0.00 0.00 41.12 39.75 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 3.79 0.00 -0.00 -0.67 0.13 -1.94 -2.79 132.00 130.51 2dl6 h PRO 56 Ca -0.44 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.58 2dl6 h PRO 56 Cb 1.31 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.42 2dl6 h PRO 56 CO 0.73 0.39 -0.54 0.00 -0.23 0.00 0.00 178.00 178.35 2dl6 h ARG 57 N 0.00 0.00 0.13 0.86 2.47 -1.99 -1.12 114.38 114.73 2dl6 h ARG 57 Ca -0.00 -0.00 -0.29 0.00 -1.26 0.00 0.00 59.98 58.43 2dl6 h ARG 57 Cb 0.79 0.00 0.02 0.00 -1.65 0.00 0.00 29.97 29.13 2dl6 h ARG 57 CO 0.05 0.54 -1.25 0.35 0.56 0.00 0.00 179.97 180.22 2dl6 h PHE 58 N 0.00 0.78 0.21 3.04 3.57 -1.89 -3.20 116.94 119.45 2dl6 h PHE 58 Ca -0.01 -0.52 -0.01 0.00 3.53 0.00 0.00 57.97 60.97 2dl6 h PHE 58 Cb 0.95 -0.05 0.00 0.00 2.79 0.00 0.00 35.95 39.64 2dl6 h PHE 58 CO 0.00 1.38 -0.10 -0.07 -2.23 0.00 0.00 178.31 177.29 2dl6 h LEU 59 N 0.18 -0.24 -1.00 0.59 3.38 -1.43 -3.24 115.31 113.54 2dl6 h LEU 59 Ca -0.17 0.01 0.39 0.00 0.09 0.00 0.00 57.88 58.20 2dl6 h LEU 59 Cb 1.94 0.06 -0.18 0.00 0.09 0.00 0.00 40.66 42.57 2dl6 h LEU 59 CO 0.22 0.03 0.45 0.00 0.09 0.00 0.00 178.44 179.24 2dl6 h ALA 60 N -1.46 1.99 0.14 1.53 0.00 -1.38 -0.58 119.26 119.51 2dl6 h ALA 60 Ca -0.03 0.28 -0.00 0.00 0.00 0.00 0.00 54.91 55.16 2dl6 h ALA 60 Cb 0.22 0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 2dl6 h ALA 60 CO 0.05 -0.88 -0.20 -0.92 0.00 0.00 0.00 179.25 177.30 2dl6 h TYR 61 N 0.01 -0.55 -0.91 0.00 3.20 -1.62 -2.32 116.97 114.77 2dl6 h TYR 61 Ca 0.80 0.01 0.21 0.00 3.14 0.00 0.00 58.73 62.89 2dl6 h TYR 61 Cb 2.06 0.22 -0.17 0.00 1.54 0.00 0.00 36.73 40.38 2dl6 h TYR 61 CO -0.09 -0.25 -0.14 -1.33 -1.64 0.00 0.00 178.16 174.71 2dl6 n MET 62 N -3.53 -0.08 -0.09 1.82 2.81 -0.24 0.78 117.12 118.59 2dl6 n MET 62 Ca -0.04 1.40 -0.06 0.00 -1.81 0.00 0.00 57.70 57.19 2dl6 n MET 62 Cb 0.17 -2.14 0.00 0.00 -0.71 0.00 0.00 33.22 30.54 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 -0.01 -0.98 0.03 4.57 -1.30 -1.05 114.58 115.85 2dl6 h GLU 63 Ca 0.48 0.00 0.19 0.00 -1.18 0.00 0.00 59.36 58.85 2dl6 h GLU 63 Cb 0.83 0.00 -0.11 0.00 -0.16 0.00 0.00 28.75 29.32 2dl6 h GLU 63 CO -0.91 -0.01 0.57 0.22 -1.18 0.00 0.00 179.01 177.71 2dl6 h ASP 64 N -0.01 0.72 -0.72 1.04 3.58 0.89 -1.60 116.42 120.32 2dl6 h ASP 64 Ca 0.16 0.10 0.25 0.00 0.42 0.00 0.00 57.03 57.97 2dl6 h ASP 64 Cb 0.26 -0.02 -0.13 0.00 1.72 0.00 0.00 39.33 41.15 2dl6 h ASP 64 CO -0.35 0.24 0.22 -1.14 -2.88 0.00 0.00 179.24 175.32 2dl6 n ARG 65 N -4.81 -0.05 -0.02 0.28 0.63 -0.40 0.11 116.66 112.41 2dl6 n ARG 65 Ca 0.23 1.03 -0.16 0.00 -0.92 0.00 0.00 57.85 58.03 2dl6 n ARG 65 Cb 0.57 -1.75 -0.13 0.00 0.45 0.00 0.00 32.46 31.60 2dl6 n ARG 65 CO 0.00 0.00 0.00 -0.09 -2.51 0.00 0.00 177.63 175.03 2dl6 h ARG 66 N 0.00 0.15 -0.09 -0.14 2.43 -1.43 -3.24 114.38 112.07 2dl6 h ARG 66 Ca 0.53 -0.22 0.03 0.00 -0.81 0.00 0.00 59.98 59.51 2dl6 h ARG 66 Cb 1.29 0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 30.91 2dl6 h ARG 66 CO -0.61 1.05 0.59 0.87 -1.51 0.00 0.00 179.97 180.36 2dl6 h LYS 67 N -0.64 0.00 0.16 0.20 6.56 0.77 0.23 116.57 123.84 2dl6 h LYS 67 Ca -0.05 0.00 -0.01 0.00 -1.06 0.00 0.00 60.65 59.53 2dl6 h LYS 67 Cb 1.20 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.86 2dl6 h LYS 67 CO 0.06 0.00 -0.08 0.37 -2.06 0.00 0.00 179.45 177.75 2dl6 h GLN 68 N 0.00 -0.20 -0.74 3.15 5.75 -1.20 -3.22 115.11 118.65 2dl6 h GLN 68 Ca 0.04 0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.56 2dl6 h GLN 68 Cb 1.22 0.05 0.00 0.00 1.07 0.00 0.00 27.48 29.81 2dl6 h GLN 68 CO -0.00 -0.14 0.00 1.63 -2.65 0.00 0.00 178.83 177.67 2dl6 n LYS 69 N -2.77 2.06 -0.55 1.69 4.76 -0.76 -4.93 118.16 117.66 2dl6 n LYS 69 Ca -0.03 -0.94 -0.26 0.00 -2.87 0.00 0.00 58.31 54.22 2dl6 n LYS 69 Cb 0.08 -1.62 0.18 0.00 -1.84 0.00 0.00 35.03 31.83 2dl6 n LYS 69 CO 0.00 0.00 0.00 1.87 -1.37 0.00 0.00 177.40 177.90 2dl6 n TRP 70 N 0.19 -2.11 -2.78 2.13 -0.00 -0.00 -4.87 117.44 110.00 2dl6 n TRP 70 Ca 0.08 -0.05 -0.43 0.00 -0.00 0.00 0.00 57.50 57.10 2dl6 n TRP 70 Cb 0.47 -1.46 -0.04 0.00 -0.00 0.00 0.00 31.31 30.29 2dl6 n TRP 70 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 177.69 177.04 2dl6 s GLN 71 N -3.68 3.73 0.31 5.87 -0.21 -1.26 -5.02 119.66 119.39 2dl6 s GLN 71 Ca 0.49 0.45 0.09 0.00 0.02 0.00 0.00 55.36 56.41 2dl6 s GLN 71 Cb -0.10 -3.86 -0.06 0.00 1.00 0.00 0.00 33.01 30.00 2dl6 s GLN 71 CO 0.51 -1.10 -0.11 -0.98 -2.12 0.00 0.00 175.29 171.49 2dl6 s ARG 72 N 3.72 1.70 0.30 2.91 3.03 -1.26 -5.16 118.95 124.18 2dl6 s ARG 72 Ca 0.39 -1.85 -0.02 0.00 2.03 0.00 0.00 55.73 56.28 2dl6 s ARG 72 Cb -0.11 -1.54 -0.01 0.00 -1.03 0.00 0.00 34.95 32.27 2dl6 s ARG 72 CO 0.23 0.15 0.38 0.00 -1.13 0.00 0.00 175.30 174.93 2dl6 s LYS 74 N -3.47 4.20 0.52 0.00 2.20 -1.26 -5.00 119.74 116.93 2dl6 s LYS 74 Ca 0.32 2.27 0.07 0.00 -0.36 0.00 0.00 55.97 58.28 2dl6 s LYS 74 Cb 0.01 -3.70 0.04 0.00 -1.51 0.00 0.00 37.83 32.67 2dl6 s LYS 74 CO 0.18 -0.75 0.52 -1.59 -0.36 0.00 0.00 175.35 173.36 2dl6 s LYS 75 N 2.99 2.34 0.14 4.03 0.00 -1.26 -5.14 119.74 122.85 2dl6 s LYS 75 Ca 0.73 -1.78 0.07 0.00 0.00 0.00 0.00 55.97 54.99 2dl6 s LYS 75 Cb -0.38 -2.34 -0.04 0.00 0.00 0.00 0.00 37.83 35.07 2dl6 s LYS 75 CO 0.31 -0.60 -0.01 -0.80 0.00 0.00 0.00 175.35 174.26 2dl6 s ASN 76 N -4.37 4.80 0.27 0.03 0.01 -1.26 -5.10 114.94 109.32 2dl6 s ASN 76 Ca 0.46 -0.34 -0.29 0.00 -0.71 0.00 0.00 52.86 51.98 2dl6 s ASN 76 Cb -0.04 -1.04 -0.10 0.00 0.41 0.00 0.00 41.25 40.48 2dl6 s ASN 76 CO 0.28 0.12 1.29 0.21 -1.51 0.00 0.00 177.10 177.49 2dl6 s ASN 77 N -2.70 6.88 0.40 -1.22 2.47 -1.26 -5.04 114.94 114.47 2dl6 s ASN 77 Ca 0.26 2.53 0.08 0.00 0.42 0.00 0.00 52.86 56.15 2dl6 s ASN 77 Cb -0.10 -2.63 -0.05 0.00 -1.45 0.00 0.00 41.25 37.02 2dl6 s ASN 77 CO 0.18 -0.49 0.19 -0.94 -3.72 0.00 0.00 177.10 172.32 2dl6 s SER 78 N -0.21 4.53 0.41 -4.21 1.04 -1.26 -5.09 113.70 108.91 2dl6 s SER 78 Ca 0.52 -0.98 -0.26 0.00 0.48 0.00 0.00 55.95 55.71 2dl6 s SER 78 Cb -0.38 -0.54 -0.10 0.00 0.10 0.00 0.00 66.02 65.10 2dl6 s SER 78 CO 0.46 -0.49 1.23 0.61 0.98 0.00 0.00 173.24 176.02 2dl6 n GLY 79 N -1.24 0.43 1.19 7.32 0.00 -1.26 -4.99 105.19 106.64 2dl6 n GLY 79 Ca -0.01 0.21 -0.10 0.00 0.00 0.00 0.00 46.02 46.12 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 0.15 -1.76 -1.94 1.61 -0.04 -1.26 -5.05 135.00 126.72 2dl6 n PRO 80 Ca 0.07 -0.60 -0.29 0.00 -0.04 0.00 0.00 63.50 62.64 2dl6 n PRO 80 Cb 0.39 -0.56 0.13 0.00 -0.04 0.00 0.00 33.50 33.42 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 -2.51 3.91 0.13 3.54 0.15 -1.26 -5.11 113.70 112.55 2dl6 s SER 81 Ca 0.24 0.53 -0.24 0.00 0.70 0.00 0.00 55.95 57.17 2dl6 s SER 81 Cb -0.02 -0.83 0.08 0.00 -1.71 0.00 0.00 66.02 63.54 2dl6 s SER 81 CO 0.19 -2.25 0.67 -0.44 1.20 0.00 0.00 173.24 172.61 2dl6 s SER 82 N -4.71 -0.51 0.00 5.45 0.01 -1.26 -5.32 113.70 107.36 2dl6 s SER 82 Ca 0.67 -0.02 0.00 0.00 1.31 0.00 0.00 55.95 57.91 2dl6 s SER 82 Cb -0.08 0.55 0.00 0.00 0.21 0.00 0.00 66.02 66.71 2dl6 s SER 82 CO 0.50 -0.90 0.13 0.61 0.41 0.00 0.00 173.24 173.99