#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dl6 n SER 2 N 0.00 2.02 -3.90 1.61 3.41 -1.26 -5.01 113.62 110.50 2dl6 n SER 2 Ca 0.00 0.24 -0.09 0.00 -0.26 0.00 0.00 58.87 58.76 2dl6 n SER 2 Cb 0.00 -0.84 -0.08 0.00 -0.26 0.00 0.00 64.21 63.03 2dl6 n SER 2 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2dl6 s SER 3 N -6.97 0.16 0.00 4.04 0.15 -1.26 -5.17 113.70 104.66 2dl6 s SER 3 Ca -0.27 -0.61 0.00 0.00 0.70 0.00 0.00 55.95 55.77 2dl6 s SER 3 Cb 0.07 0.29 0.00 0.00 -1.71 0.00 0.00 66.02 64.67 2dl6 s SER 3 CO 0.68 -0.63 0.00 0.61 1.20 0.00 0.00 173.24 175.09 2dl6 n GLY 4 N 0.27 1.17 3.87 9.45 0.00 -1.26 -4.86 105.19 113.83 2dl6 n GLY 4 Ca -0.16 -0.13 -0.30 0.00 0.00 0.00 0.00 46.02 45.42 2dl6 n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2dl6 n SER 5 N 0.00 -4.56 -3.98 1.61 3.41 -1.26 -4.96 113.62 103.89 2dl6 n SER 5 Ca 0.00 -0.75 -0.25 0.00 -0.26 0.00 0.00 58.87 57.61 2dl6 n SER 5 Cb 0.00 -3.66 -0.17 0.00 -0.26 0.00 0.00 64.21 60.12 2dl6 n SER 5 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2dl6 s SER 6 N -3.20 1.87 -0.31 4.04 0.15 -1.26 -5.07 113.70 109.91 2dl6 s SER 6 Ca 0.64 -0.29 -0.12 0.00 0.70 0.00 0.00 55.95 56.88 2dl6 s SER 6 Cb -0.33 -0.81 0.19 0.00 -1.71 0.00 0.00 66.02 63.36 2dl6 s SER 6 CO 0.79 -0.02 1.11 -0.83 1.20 0.00 0.00 173.24 175.48 2dl6 s GLY 7 N 1.04 -1.57 -0.03 9.45 0.00 -1.26 -4.92 107.32 110.03 2dl6 s GLY 7 Ca -0.08 1.45 0.05 0.00 0.00 0.00 0.00 44.72 46.15 2dl6 s GLY 7 CO -0.01 4.39 -0.17 -0.54 0.00 0.00 0.00 173.10 176.77 2dl6 s GLU 8 N 2.01 2.36 -0.78 2.90 2.02 -1.26 -5.02 118.70 120.93 2dl6 s GLU 8 Ca 0.15 -0.78 -0.25 0.00 0.02 0.00 0.00 54.97 54.10 2dl6 s GLU 8 Cb 0.04 -2.28 -0.04 0.00 0.10 0.00 0.00 34.13 31.96 2dl6 s GLU 8 CO -0.16 0.60 1.91 -1.25 0.02 0.00 0.00 175.26 176.38 2dl6 s PRO 9 N -0.80 2.59 0.20 0.39 0.04 -1.26 -4.87 135.00 131.28 2dl6 s PRO 9 Ca 0.12 0.10 -0.24 0.00 0.04 0.00 0.00 61.00 61.02 2dl6 s PRO 9 Cb -0.10 -4.77 0.05 0.00 0.04 0.00 0.00 34.50 29.72 2dl6 s PRO 9 CO 0.01 -3.10 0.88 -0.80 0.04 0.00 0.00 177.00 174.03 2dl6 s ASN 10 N 8.07 -0.20 1.30 6.66 0.01 -1.26 -5.17 114.94 124.34 2dl6 s ASN 10 Ca 0.69 -0.48 -0.21 0.00 -0.71 0.00 0.00 52.86 52.14 2dl6 s ASN 10 Cb -0.09 0.57 0.32 0.00 0.41 0.00 0.00 41.25 42.46 2dl6 s ASN 10 CO 0.09 -1.06 1.06 -1.00 -1.51 0.00 0.00 177.10 174.68 2dl6 s HIS 11 N -3.48 -0.09 -1.97 2.20 3.76 -1.26 -4.87 115.29 109.58 2dl6 s HIS 11 Ca 0.12 0.44 0.00 0.00 -0.15 0.00 0.00 55.06 55.47 2dl6 s HIS 11 Cb -0.03 -3.32 0.00 0.00 1.11 0.00 0.00 32.58 30.34 2dl6 s HIS 11 CO 0.04 -4.34 0.88 1.47 -0.85 0.00 0.00 174.74 171.93 2dl6 n LEU 12 N -5.10 0.03 -4.52 0.89 -0.00 -1.26 -4.89 117.00 102.15 2dl6 n LEU 12 Ca 0.14 -0.01 -0.37 0.00 -0.00 0.00 0.00 56.01 55.77 2dl6 n LEU 12 Cb 0.60 -0.01 0.06 0.00 -0.00 0.00 0.00 43.42 44.07 2dl6 n LEU 12 CO 0.42 0.01 0.22 -0.67 -0.00 0.00 0.00 177.39 177.37 2dl6 n ASP 13 N -0.48 -0.53 -3.92 1.45 -0.08 -1.26 -5.02 116.55 106.70 2dl6 n ASP 13 Ca 0.00 0.68 -0.23 0.00 -1.51 0.00 0.00 54.79 53.73 2dl6 n ASP 13 Cb 0.01 -1.27 -0.08 0.00 2.34 0.00 0.00 41.12 42.12 2dl6 n ASP 13 CO 0.00 0.00 0.00 0.68 0.12 0.00 0.00 177.20 178.00 2dl6 s VAL 14 N -1.77 0.42 0.02 5.18 -7.23 -1.26 -5.15 120.40 110.61 2dl6 s VAL 14 Ca 0.70 -2.00 -0.12 0.00 -1.81 0.00 0.00 61.98 58.75 2dl6 s VAL 14 Cb -0.39 -2.40 -0.06 0.00 0.56 0.00 0.00 36.38 34.10 2dl6 s VAL 14 CO 0.53 0.00 0.37 -1.81 -0.31 0.00 0.00 175.10 173.89 2dl6 s ASP 15 N -3.53 6.70 0.21 4.85 1.11 -1.26 -4.99 116.67 119.76 2dl6 s ASP 15 Ca 0.29 0.84 -0.19 0.00 0.18 0.00 0.00 52.55 53.67 2dl6 s ASP 15 Cb 0.03 -2.20 0.20 0.00 1.07 0.00 0.00 42.92 42.01 2dl6 s ASP 15 CO 0.18 0.28 1.56 -0.07 1.18 0.00 0.00 175.17 178.30 2dl6 h LEU 16 N 4.35 -1.33 -0.94 1.23 3.38 -1.99 0.58 115.31 120.58 2dl6 h LEU 16 Ca -0.51 0.28 0.14 0.00 0.09 0.00 0.00 57.88 57.88 2dl6 h LEU 16 Cb 1.21 0.69 -0.09 0.00 0.09 0.00 0.00 40.66 42.56 2dl6 h LEU 16 CO 0.63 -0.29 0.55 -0.33 0.09 0.00 0.00 178.44 179.09 2dl6 h GLU 17 N -0.06 0.79 -6.45 1.13 5.08 -1.99 -3.28 114.58 109.80 2dl6 h GLU 17 Ca 0.30 -0.05 -0.61 0.00 -1.00 0.00 0.00 59.36 58.01 2dl6 h GLU 17 Cb 0.58 -0.18 0.06 0.00 0.50 0.00 0.00 28.75 29.71 2dl6 h GLU 17 CO -0.88 0.52 0.66 2.41 -1.00 0.00 0.00 179.01 180.73 2dl6 n THR 18 N -4.74 0.15 -2.15 1.13 -1.04 0.20 -4.87 114.28 102.96 2dl6 n THR 18 Ca 0.19 -0.04 -0.27 0.00 -2.04 0.00 0.00 64.05 61.89 2dl6 n THR 18 Cb 0.42 -1.31 0.07 0.00 -1.82 0.00 0.00 70.33 67.69 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 0.59 2.27 -0.14 -2.82 1.81 -1.26 -3.17 118.95 116.23 2dl6 s ARG 19 Ca 0.79 -0.11 -0.02 0.00 -1.72 0.00 0.00 55.73 54.66 2dl6 s ARG 19 Cb -0.76 -2.13 0.05 0.00 -0.45 0.00 0.00 34.95 31.66 2dl6 s ARG 19 CO 0.42 -1.23 0.03 0.42 -0.68 0.00 0.00 175.30 174.25 2dl6 s ILE 20 N -3.29 0.40 0.43 1.52 -1.09 -1.04 -4.84 121.20 113.30 2dl6 s ILE 20 Ca 0.60 -0.22 -0.24 0.00 -2.23 0.00 0.00 60.65 58.56 2dl6 s ILE 20 Cb -0.11 -0.77 -0.08 0.00 -1.58 0.00 0.00 42.46 39.92 2dl6 s ILE 20 CO 0.46 -0.01 1.18 -2.16 -1.23 0.00 0.00 174.94 173.18 2dl6 s PRO 21 N 1.93 3.90 -0.07 2.79 0.04 -1.26 -4.32 135.00 138.02 2dl6 s PRO 21 Ca 0.02 1.83 -0.08 0.00 0.04 0.00 0.00 61.00 62.81 2dl6 s PRO 21 Cb -0.15 -2.55 0.02 0.00 0.04 0.00 0.00 34.50 31.86 2dl6 s PRO 21 CO -0.07 -0.45 0.22 0.14 0.04 0.00 0.00 177.00 176.88 2dl6 s VAL 22 N -1.47 0.01 -0.33 -0.36 -7.23 -1.14 -2.99 120.40 106.90 2dl6 s VAL 22 Ca 0.60 -0.06 -0.07 0.00 -1.81 0.00 0.00 61.98 60.64 2dl6 s VAL 22 Cb -0.30 -0.33 0.03 0.00 0.56 0.00 0.00 36.38 36.34 2dl6 s VAL 22 CO 0.37 -0.04 0.10 -0.51 -0.31 0.00 0.00 175.10 174.71 2dl6 s ILE 23 N -0.04 3.84 0.75 -0.62 2.07 0.10 -0.87 121.20 126.44 2dl6 s ILE 23 Ca -0.01 -0.99 -0.15 0.00 -1.41 0.00 0.00 60.65 58.08 2dl6 s ILE 23 Cb -0.02 -3.11 -0.00 0.00 0.13 0.00 0.00 42.46 39.46 2dl6 s ILE 23 CO 0.01 -0.10 0.74 -3.20 -1.91 0.00 0.00 174.94 170.48 2dl6 n ASN 24 N 4.83 -0.48 -0.08 4.50 4.05 -0.01 -2.97 115.26 125.10 2dl6 n ASN 24 Ca -0.13 0.59 -0.09 0.00 0.45 0.00 0.00 54.58 55.40 2dl6 n ASN 24 Cb 0.46 -1.31 -0.11 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 -1.49 1.20 0.33 1.20 5.02 -1.22 -3.27 118.16 119.93 2dl6 n LYS 25 Ca 0.11 0.03 -0.15 0.00 -2.02 0.00 0.00 58.31 56.28 2dl6 n LYS 25 Cb 0.50 -1.39 -0.08 0.00 -0.02 0.00 0.00 35.03 34.04 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 0.19 0.02 -0.18 2.07 -1.93 -3.38 116.25 113.03 2dl6 h VAL 26 Ca -0.42 -0.30 -0.39 0.00 0.82 0.00 0.00 66.70 66.41 2dl6 h VAL 26 Cb 1.87 0.25 -0.06 0.00 -1.52 0.00 0.00 31.29 31.83 2dl6 h VAL 26 CO -0.00 0.02 -2.26 -0.67 0.02 0.00 0.00 177.57 174.68 2dl6 n ASP 27 N -5.38 1.99 0.00 0.57 -0.08 -1.26 -5.04 116.55 107.34 2dl6 n ASP 27 Ca -0.12 0.14 0.00 0.00 -1.51 0.00 0.00 54.79 53.30 2dl6 n ASP 27 Cb 0.36 -0.69 0.00 0.00 2.34 0.00 0.00 41.12 43.14 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 1.81 1.33 3.81 0.27 0.00 -1.20 -5.05 105.19 106.14 2dl6 n GLY 28 Ca -0.44 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.21 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 5.28 -0.23 2.61 2.01 -1.26 -4.74 115.64 117.30 2dl6 s THR 29 Ca 0.00 0.54 -0.14 0.00 0.31 0.00 0.00 61.69 62.40 2dl6 s THR 29 Cb 0.00 -3.59 -0.04 0.00 0.01 0.00 0.00 72.50 68.88 2dl6 s THR 29 CO 0.00 0.52 0.32 -0.22 -0.69 0.00 0.00 174.62 174.55 2dl6 s LEU 30 N -0.47 4.11 -0.23 4.42 2.96 -1.26 -0.83 118.68 127.37 2dl6 s LEU 30 Ca 0.18 0.33 -0.14 0.00 -0.22 0.00 0.00 54.13 54.28 2dl6 s LEU 30 Cb -0.14 -2.36 -0.04 0.00 0.50 0.00 0.00 46.19 44.14 2dl6 s LEU 30 CO 0.07 -0.06 0.30 -0.76 -1.32 0.00 0.00 176.35 174.58 2dl6 s LEU 31 N 1.44 4.11 0.10 -0.68 1.43 -0.05 -4.97 118.68 120.07 2dl6 s LEU 31 Ca 0.14 0.30 -0.00 0.00 -1.03 0.00 0.00 54.13 53.54 2dl6 s LEU 31 Cb -0.15 -2.33 -0.04 0.00 0.03 0.00 0.00 46.19 43.70 2dl6 s LEU 31 CO 0.08 -0.05 0.00 0.68 0.23 0.00 0.00 176.35 177.29 2dl6 s VAL 32 N 1.40 0.31 0.00 -1.59 -7.23 -1.26 -2.88 120.40 109.14 2dl6 s VAL 32 Ca 0.14 -1.89 0.00 0.00 -1.81 0.00 0.00 61.98 58.42 2dl6 s VAL 32 Cb -0.15 -1.81 0.00 0.00 0.56 0.00 0.00 36.38 34.98 2dl6 s VAL 32 CO 0.07 -0.72 0.00 0.61 -0.31 0.00 0.00 175.10 174.76 2dl6 n GLY 33 N -0.03 3.40 0.11 2.32 0.00 -1.26 -3.04 105.19 106.69 2dl6 n GLY 33 Ca -0.10 -0.13 -0.19 0.00 0.00 0.00 0.00 46.02 45.60 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 0.26 -0.99 1.61 4.11 -1.98 -3.32 114.58 114.28 2dl6 h GLU 34 Ca 0.00 -0.45 0.35 0.00 0.07 0.00 0.00 59.36 59.33 2dl6 h GLU 34 Cb 0.00 0.17 -0.17 0.00 0.50 0.00 0.00 28.75 29.24 2dl6 h GLU 34 CO 0.00 1.22 0.37 -0.44 0.07 0.00 0.00 179.01 180.22 2dl6 h ASP 35 N -0.44 0.08 -3.82 3.06 3.32 -1.93 -3.38 116.42 113.31 2dl6 h ASP 35 Ca -0.13 0.25 -0.50 0.00 0.02 0.00 0.00 57.03 56.67 2dl6 h ASP 35 Cb 1.57 0.32 0.01 0.00 0.22 0.00 0.00 39.33 41.45 2dl6 h ASP 35 CO 0.13 -0.35 0.44 0.00 -1.72 0.00 0.00 179.24 177.74 2dl6 s ALA 36 N -5.72 3.34 1.11 3.45 0.00 -1.25 -4.88 121.76 117.82 2dl6 s ALA 36 Ca -0.11 0.80 -0.09 0.00 0.00 0.00 0.00 51.96 52.56 2dl6 s ALA 36 Cb 0.31 -3.29 0.13 0.00 0.00 0.00 0.00 23.12 20.28 2dl6 s ALA 36 CO 0.78 -0.08 0.48 -0.35 0.00 0.00 0.00 175.76 176.59 2dl6 n PRO 37 N 1.06 -1.96 -4.13 0.00 -0.04 -1.26 -4.70 135.00 123.97 2dl6 n PRO 37 Ca -0.00 -0.77 -0.27 0.00 -0.04 0.00 0.00 63.50 62.42 2dl6 n PRO 37 Cb 0.46 -0.72 -0.07 0.00 -0.04 0.00 0.00 33.50 33.13 2dl6 n PRO 37 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2dl6 s ARG 38 N -4.09 2.69 0.33 0.54 0.52 -1.26 -2.51 118.95 115.17 2dl6 s ARG 38 Ca 0.31 -0.94 0.03 0.00 -0.52 0.00 0.00 55.73 54.61 2dl6 s ARG 38 Cb -0.03 -2.54 0.62 0.00 0.52 0.00 0.00 34.95 33.53 2dl6 s ARG 38 CO 0.24 0.48 1.94 -0.09 0.02 0.00 0.00 175.30 177.89 2dl6 h ARG 39 N 2.67 0.88 0.68 3.54 9.65 -1.60 0.21 114.38 130.41 2dl6 h ARG 39 Ca -0.47 -0.05 -0.03 0.00 -1.10 0.00 0.00 59.98 58.32 2dl6 h ARG 39 Cb 1.20 -0.20 0.01 0.00 -1.39 0.00 0.00 29.97 29.58 2dl6 h ARG 39 CO 0.61 0.58 -0.33 0.00 2.80 0.00 0.00 179.97 183.63 2dl6 h ALA 40 N 1.55 -0.91 -0.15 2.80 0.00 -1.88 -2.36 119.26 118.32 2dl6 h ALA 40 Ca 0.35 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.06 2dl6 h ALA 40 Cb 0.20 0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.35 2dl6 h ALA 40 CO -0.12 -1.01 0.00 -0.85 0.00 0.00 0.00 179.25 177.27 2dl6 n GLU 41 N -5.48 1.81 -0.21 0.00 0.28 -1.05 -4.07 120.64 111.92 2dl6 n GLU 41 Ca -0.14 -0.72 -0.05 0.00 -0.16 0.00 0.00 57.16 56.09 2dl6 n GLU 41 Cb 0.37 -1.56 0.10 0.00 1.43 0.00 0.00 31.44 31.79 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 0.97 0.97 -0.39 -1.84 5.85 -0.39 0.24 115.31 120.72 2dl6 h LEU 42 Ca 0.00 -0.19 -0.08 0.00 0.84 0.00 0.00 57.88 58.44 2dl6 h LEU 42 Cb 0.71 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.47 2dl6 h LEU 42 CO 0.09 0.93 -0.08 1.05 -0.34 0.00 0.00 178.44 180.09 2dl6 h GLU 43 N 0.98 0.74 0.00 1.25 4.11 -1.77 0.36 114.58 120.26 2dl6 h GLU 43 Ca 0.21 -0.28 -0.09 0.00 0.07 0.00 0.00 59.36 59.27 2dl6 h GLU 43 Cb 0.34 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 2dl6 h GLU 43 CO -0.00 0.88 -0.44 0.00 0.07 0.00 0.00 179.01 179.52 2dl6 h MET 44 N 0.54 0.00 0.22 1.06 -0.00 -1.79 -3.00 114.93 111.96 2dl6 h MET 44 Ca 0.10 0.00 -0.34 0.00 -0.00 0.00 0.00 59.70 59.46 2dl6 h MET 44 Cb 0.60 0.00 0.02 0.00 -0.00 0.00 0.00 31.60 32.22 2dl6 h MET 44 CO 0.04 0.44 -1.59 2.35 -0.00 0.00 0.00 176.91 178.14 2dl6 h TRP 45 N 0.00 0.84 0.00 -0.10 7.01 -0.33 -3.26 115.95 120.11 2dl6 h TRP 45 Ca -0.00 -0.61 0.00 0.00 2.11 0.00 0.00 58.89 60.38 2dl6 h TRP 45 Cb 1.07 -0.03 0.00 0.00 -2.10 0.00 0.00 29.16 28.09 2dl6 h TRP 45 CO 0.00 1.62 0.00 1.28 -2.79 0.00 0.00 178.44 178.55 2dl6 n LEU 46 N -3.68 0.00 -0.05 0.65 4.77 0.13 -0.56 117.00 118.26 2dl6 n LEU 46 Ca -0.21 0.00 -0.19 0.00 -0.03 0.00 0.00 56.01 55.58 2dl6 n LEU 46 Cb 1.08 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 42.04 2dl6 n LEU 46 CO 0.55 0.00 -0.18 1.56 -1.33 0.00 0.00 177.39 177.99 2dl6 h GLN 47 N 0.00 0.10 0.00 3.23 1.08 -1.57 -3.31 115.11 114.65 2dl6 h GLN 47 Ca 0.00 -0.17 0.00 0.00 -1.45 0.00 0.00 58.65 57.03 2dl6 h GLN 47 Cb 0.00 0.06 0.00 0.00 -0.05 0.00 0.00 27.48 27.49 2dl6 h GLN 47 CO 0.00 1.08 -0.59 0.41 -0.95 0.00 0.00 178.83 178.78 2dl6 n GLY 48 N 1.60 -0.00 1.01 3.46 0.00 -1.20 -4.53 105.19 105.52 2dl6 n GLY 48 Ca -0.22 -0.28 -0.02 0.00 0.00 0.00 0.00 46.02 45.50 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 -1.31 0.78 0.97 1.61 8.25 0.28 -4.74 115.22 121.07 2dl6 n HIS 49 Ca 0.01 -1.68 0.06 0.00 -0.26 0.00 0.00 57.72 55.85 2dl6 n HIS 49 Cb 0.17 -0.34 0.33 0.00 1.12 0.00 0.00 29.99 31.27 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 -1.05 0.49 0.00 -0.41 -0.04 -1.24 -3.15 135.00 129.60 2dl6 n PRO 50 Ca 0.27 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.78 2dl6 n PRO 50 Cb 0.82 -1.36 0.20 0.00 -0.04 0.00 0.00 33.50 33.12 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 -0.86 0.02 -3.12 0.54 -0.58 -1.26 -4.70 120.64 110.67 2dl6 n GLU 51 Ca 0.08 0.32 -0.20 0.00 -0.42 0.00 0.00 57.16 56.95 2dl6 n GLU 51 Cb 0.04 -1.50 0.05 0.00 -0.57 0.00 0.00 31.44 29.46 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 -2.95 1.49 -0.15 -0.32 0.40 -1.19 -3.44 117.98 111.82 2dl6 s PHE 52 Ca 0.05 -0.72 -0.07 0.00 -0.60 0.00 0.00 56.93 55.59 2dl6 s PHE 52 Cb 0.06 -2.19 0.06 0.00 0.51 0.00 0.00 43.02 41.47 2dl6 s PHE 52 CO 0.17 -1.06 0.35 0.00 0.70 0.00 0.00 175.22 175.38 2dl6 s ALA 53 N -2.66 -0.86 -0.02 5.36 0.00 -1.16 -4.90 121.76 117.51 2dl6 s ALA 53 Ca 0.59 1.29 -0.35 0.00 0.00 0.00 0.00 51.96 53.49 2dl6 s ALA 53 Cb -0.06 -0.95 -0.13 0.00 0.00 0.00 0.00 23.12 21.99 2dl6 s ALA 53 CO 0.37 -0.41 1.74 0.28 0.00 0.00 0.00 175.76 177.74 2dl6 n VAL 54 N 4.65 0.34 -1.70 0.00 0.31 -1.26 0.01 118.33 120.68 2dl6 n VAL 54 Ca -0.18 -0.06 -0.43 0.00 -0.01 0.00 0.00 64.34 63.66 2dl6 n VAL 54 Cb 0.53 -1.64 -0.02 0.00 -0.91 0.00 0.00 33.84 31.80 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 5.27 3.10 0.17 4.52 -0.08 -1.16 -4.82 116.55 123.56 2dl6 n ASP 55 Ca 0.21 1.17 0.02 0.00 -1.51 0.00 0.00 54.79 54.68 2dl6 n ASP 55 Cb 0.27 -1.50 0.31 0.00 2.34 0.00 0.00 41.12 42.54 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 3.79 0.00 -0.86 -0.67 0.13 -1.95 -3.06 132.00 129.39 2dl6 h PRO 56 Ca -0.46 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 64.71 2dl6 h PRO 56 Cb 1.26 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.34 2dl6 h PRO 56 CO 0.72 0.45 0.57 0.07 -0.23 0.00 0.00 178.00 179.57 2dl6 h ARG 57 N 0.00 1.02 -0.16 0.86 -0.00 -1.99 -1.23 114.38 112.88 2dl6 h ARG 57 Ca -0.00 -0.06 -0.02 0.00 -0.00 0.00 0.00 59.98 59.89 2dl6 h ARG 57 Cb 0.83 -0.23 -0.01 0.00 -0.00 0.00 0.00 29.97 30.56 2dl6 h ARG 57 CO 0.06 0.68 0.02 0.35 -0.00 0.00 0.00 179.97 181.07 2dl6 h PHE 58 N 1.06 0.28 -0.50 4.08 3.57 -1.92 -0.36 116.94 123.15 2dl6 h PHE 58 Ca 0.35 -0.04 0.02 0.00 3.53 0.00 0.00 57.97 61.82 2dl6 h PHE 58 Cb 0.06 -0.08 -0.03 0.00 2.79 0.00 0.00 35.95 38.69 2dl6 h PHE 58 CO -0.00 0.45 0.31 -0.07 -2.23 0.00 0.00 178.31 176.77 2dl6 h LEU 59 N 0.04 0.51 -0.45 0.59 3.38 -1.51 -2.57 115.31 115.29 2dl6 h LEU 59 Ca 0.05 -0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.97 2dl6 h LEU 59 Cb 0.32 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 2dl6 h LEU 59 CO 0.00 0.37 0.10 0.00 0.09 0.00 0.00 178.44 179.00 2dl6 h ALA 60 N 1.21 0.59 -0.94 1.53 0.00 -1.18 -2.80 119.26 117.67 2dl6 h ALA 60 Ca 0.19 -0.21 0.18 0.00 0.00 0.00 0.00 54.91 55.07 2dl6 h ALA 60 Cb -0.02 -0.17 -0.08 0.00 0.00 0.00 0.00 17.79 17.52 2dl6 h ALA 60 CO -0.07 0.29 0.60 -0.92 0.00 0.00 0.00 179.25 179.15 2dl6 h TYR 61 N 0.60 0.81 0.00 0.00 3.20 -0.72 0.32 116.97 121.19 2dl6 h TYR 61 Ca 0.14 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.01 2dl6 h TYR 61 Cb 0.34 -0.25 -0.00 0.00 1.54 0.00 0.00 36.73 38.36 2dl6 h TYR 61 CO 0.02 0.24 -0.12 0.52 -1.64 0.00 0.00 178.16 177.18 2dl6 h MET 62 N 0.63 0.00 0.27 1.82 2.86 -1.19 -2.90 114.93 116.43 2dl6 h MET 62 Ca 0.50 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 58.12 2dl6 h MET 62 Cb 0.91 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.58 2dl6 h MET 62 CO -0.25 0.12 -0.13 0.93 1.06 0.00 0.00 176.91 178.64 2dl6 h GLU 63 N 0.00 -0.36 -1.28 1.72 4.39 -0.39 -3.23 114.58 115.43 2dl6 h GLU 63 Ca -0.00 0.02 0.37 0.00 0.34 0.00 0.00 59.36 60.09 2dl6 h GLU 63 Cb 0.23 0.08 -0.05 0.00 -0.10 0.00 0.00 28.75 28.91 2dl6 h GLU 63 CO 0.02 -0.17 1.01 0.22 -1.16 0.00 0.00 179.01 178.93 2dl6 h ASP 64 N -1.07 0.00 -0.10 1.42 1.82 -1.40 0.24 116.42 117.33 2dl6 h ASP 64 Ca -0.04 0.00 0.02 0.00 -0.39 0.00 0.00 57.03 56.63 2dl6 h ASP 64 Cb 0.35 0.00 -0.05 0.00 0.68 0.00 0.00 39.33 40.31 2dl6 h ASP 64 CO 0.06 0.00 -0.47 0.03 -1.61 0.00 0.00 179.24 177.25 2dl6 h ARG 65 N 0.00 -0.50 0.00 0.28 3.08 -1.53 0.28 114.38 116.00 2dl6 h ARG 65 Ca 0.61 0.03 -0.24 0.00 0.07 0.00 0.00 59.98 60.45 2dl6 h ARG 65 Cb 2.63 0.11 -0.04 0.00 0.08 0.00 0.00 29.97 32.75 2dl6 h ARG 65 CO -0.01 -0.33 -1.59 2.89 -1.07 0.00 0.00 179.97 179.86 2dl6 n ARG 66 N -5.04 0.63 0.29 0.04 0.00 -0.48 -3.94 116.66 108.16 2dl6 n ARG 66 Ca -0.05 0.27 0.13 0.00 -0.00 0.00 0.00 57.85 58.20 2dl6 n ARG 66 Cb 0.33 -1.80 0.84 0.00 -0.00 0.00 0.00 32.46 31.83 2dl6 n ARG 66 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.63 178.50 2dl6 h LYS 67 N 0.00 0.00 -1.37 2.89 1.57 -0.48 -2.37 116.57 116.81 2dl6 h LYS 67 Ca -0.24 0.00 0.40 0.00 -1.87 0.00 0.00 60.65 58.94 2dl6 h LYS 67 Cb 1.85 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 34.08 2dl6 h LYS 67 CO 0.07 0.01 0.95 -0.56 -0.57 0.00 0.00 179.45 179.35 2dl6 h GLN 68 N 0.00 0.08 -3.20 3.15 3.07 -1.06 -3.38 115.11 113.77 2dl6 h GLN 68 Ca -0.00 -0.00 -0.22 0.00 0.09 0.00 0.00 58.65 58.52 2dl6 h GLN 68 Cb 0.02 -0.02 -0.30 0.00 0.08 0.00 0.00 27.48 27.26 2dl6 h GLN 68 CO 0.00 0.05 -0.55 0.15 0.09 0.00 0.00 178.83 178.58 2dl6 s LYS 69 N -5.09 0.15 0.84 0.06 1.02 -0.89 -5.14 119.74 110.68 2dl6 s LYS 69 Ca -0.06 0.39 -0.09 0.00 0.02 0.00 0.00 55.97 56.22 2dl6 s LYS 69 Cb 0.26 -0.10 0.15 0.00 -0.52 0.00 0.00 37.83 37.62 2dl6 s LYS 69 CO 0.83 -0.13 1.16 -1.58 -0.92 0.00 0.00 175.35 174.71 2dl6 s TRP 70 N 0.95 1.83 1.02 3.18 0.51 -1.26 -4.94 118.94 120.23 2dl6 s TRP 70 Ca -0.07 0.15 -0.12 0.00 -2.12 0.00 0.00 56.10 53.94 2dl6 s TRP 70 Cb -0.09 -3.58 0.20 0.00 -0.81 0.00 0.00 33.47 29.19 2dl6 s TRP 70 CO -0.05 -2.12 1.08 -1.14 -0.51 0.00 0.00 176.95 174.20 2dl6 s GLN 71 N -5.53 0.26 0.00 4.98 2.00 -1.26 -4.88 119.66 115.23 2dl6 s GLN 71 Ca 0.69 0.75 0.04 0.00 -2.00 0.00 0.00 55.36 54.84 2dl6 s GLN 71 Cb -0.06 -1.70 0.25 0.00 0.80 0.00 0.00 33.01 32.30 2dl6 s GLN 71 CO 0.49 -2.90 1.03 -2.13 -0.50 0.00 0.00 175.29 171.27 2dl6 n ARG 72 N -4.33 0.86 -1.69 1.67 0.63 -1.26 -4.86 116.66 107.68 2dl6 n ARG 72 Ca 0.05 0.00 -0.44 0.00 -0.92 0.00 0.00 57.85 56.54 2dl6 n ARG 72 Cb 0.55 -1.08 -0.04 0.00 0.45 0.00 0.00 32.46 32.35 2dl6 n ARG 72 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2dl6 s LYS 74 N 0.94 4.08 0.52 0.00 2.36 -1.26 -5.07 119.74 121.31 2dl6 s LYS 74 Ca 0.77 0.38 -0.03 0.00 -2.55 0.00 0.00 55.97 54.54 2dl6 s LYS 74 Cb -0.61 -3.65 0.00 0.00 -1.05 0.00 0.00 37.83 32.53 2dl6 s LYS 74 CO 0.36 -0.36 0.78 0.21 1.55 0.00 0.00 175.35 177.90 2dl6 s LYS 75 N 2.33 3.00 -0.06 4.03 2.20 -1.26 -5.00 119.74 124.98 2dl6 s LYS 75 Ca 0.22 -0.25 -0.29 0.00 -0.36 0.00 0.00 55.97 55.29 2dl6 s LYS 75 Cb -0.16 -2.42 -0.07 0.00 -1.51 0.00 0.00 37.83 33.67 2dl6 s LYS 75 CO 0.09 -0.48 2.00 1.21 -0.36 0.00 0.00 175.35 177.81 2dl6 s ASN 76 N -4.26 6.16 -0.02 1.43 2.47 -1.26 -4.97 114.94 114.49 2dl6 s ASN 76 Ca 0.51 2.35 -0.02 0.00 0.42 0.00 0.00 52.86 56.12 2dl6 s ASN 76 Cb -0.10 -2.52 0.01 0.00 -1.45 0.00 0.00 41.25 37.18 2dl6 s ASN 76 CO 0.41 -1.33 0.06 0.21 -3.72 0.00 0.00 177.10 172.74 2dl6 s ASN 77 N 5.51 -0.06 0.73 -4.21 3.84 -1.26 -5.16 114.94 114.33 2dl6 s ASN 77 Ca 0.90 0.13 -0.07 0.00 0.21 0.00 0.00 52.86 54.03 2dl6 s ASN 77 Cb -0.38 0.12 0.08 0.00 -0.55 0.00 0.00 41.25 40.52 2dl6 s ASN 77 CO 0.38 -0.03 1.04 -0.55 -2.79 0.00 0.00 177.10 175.15 2dl6 s SER 78 N 0.14 4.61 0.00 -4.21 0.15 -1.26 -4.99 113.70 108.14 2dl6 s SER 78 Ca -0.01 0.34 0.00 0.00 0.70 0.00 0.00 55.95 56.98 2dl6 s SER 78 Cb -0.02 -0.90 0.00 0.00 -1.71 0.00 0.00 66.02 63.39 2dl6 s SER 78 CO -0.00 -1.73 0.00 0.61 1.20 0.00 0.00 173.24 173.32 2dl6 n GLY 79 N -2.98 0.47 3.06 9.45 0.00 -1.26 -5.10 105.19 108.83 2dl6 n GLY 79 Ca 0.09 -1.59 -0.26 0.00 0.00 0.00 0.00 46.02 44.26 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 0.00 -2.88 -3.03 1.61 -0.04 -1.26 -5.01 135.00 124.38 2dl6 n PRO 80 Ca 0.00 -1.53 -0.38 0.00 -0.04 0.00 0.00 63.50 61.55 2dl6 n PRO 80 Cb 0.00 -1.43 -0.06 0.00 -0.04 0.00 0.00 33.50 31.97 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 -4.08 7.28 1.16 3.54 0.15 -1.26 -5.05 113.70 115.44 2dl6 s SER 81 Ca 0.62 1.56 -0.17 0.00 0.70 0.00 0.00 55.95 58.66 2dl6 s SER 81 Cb -0.06 -2.47 0.18 0.00 -1.71 0.00 0.00 66.02 61.96 2dl6 s SER 81 CO 0.48 0.17 0.34 -1.20 1.20 0.00 0.00 173.24 174.22 2dl6 n SER 82 N 1.37 -2.32 0.00 5.45 7.64 -1.26 -5.29 113.62 119.20 2dl6 n SER 82 Ca -0.05 -0.20 0.00 0.00 1.01 0.00 0.00 58.87 59.63 2dl6 n SER 82 Cb 0.49 -1.03 0.00 0.00 -1.01 0.00 0.00 64.21 62.66 2dl6 n SER 82 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64