#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 5.95 -0.29 1.61 0.01 -1.26 -5.11 113.70 114.62 2dl6 s SER 2 Ca 0.00 -0.05 0.03 0.00 1.31 0.00 0.00 55.95 57.23 2dl6 s SER 2 Cb 0.00 -1.66 0.18 0.00 0.21 0.00 0.00 66.02 64.75 2dl6 s SER 2 CO 0.00 -0.03 0.49 -0.55 0.41 0.00 0.00 173.24 173.57 2dl6 s SER 3 N -3.73 -0.58 0.00 2.44 0.15 -1.26 -5.00 113.70 105.73 2dl6 s SER 3 Ca 0.33 0.05 0.00 0.00 0.70 0.00 0.00 55.95 57.03 2dl6 s SER 3 Cb -0.09 1.58 0.00 0.00 -1.71 0.00 0.00 66.02 65.80 2dl6 s SER 3 CO 0.27 -0.32 0.00 0.61 1.20 0.00 0.00 173.24 175.00 2dl6 n GLY 4 N 5.39 0.00 2.71 9.45 0.00 -1.26 -5.13 105.19 116.35 2dl6 n GLY 4 Ca 0.02 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.79 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 0.00 2.12 0.92 1.61 0.15 -1.26 -5.14 113.70 112.10 2dl6 s SER 5 Ca 0.00 -0.41 -0.13 0.00 0.70 0.00 0.00 55.95 56.11 2dl6 s SER 5 Cb 0.00 -0.41 0.03 0.00 -1.71 0.00 0.00 66.02 63.93 2dl6 s SER 5 CO 0.00 -0.27 0.47 -1.54 1.20 0.00 0.00 173.24 173.10 2dl6 n SER 6 N 5.16 -1.82 -2.11 5.45 3.41 -1.26 -5.02 113.62 117.44 2dl6 n SER 6 Ca -0.07 0.37 -0.08 0.00 -0.26 0.00 0.00 58.87 58.83 2dl6 n SER 6 Cb 0.49 -1.23 -0.01 0.00 -0.26 0.00 0.00 64.21 63.20 2dl6 n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dl6 n GLY 7 N 1.45 2.39 3.55 5.00 0.00 -1.26 -5.19 105.19 111.14 2dl6 n GLY 7 Ca 0.07 -1.46 -0.11 0.00 0.00 0.00 0.00 46.02 44.53 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 -2.39 0.70 -0.20 1.61 -1.05 -1.26 -5.06 118.70 111.05 2dl6 s GLU 8 Ca 0.15 0.07 -0.29 0.00 -0.15 0.00 0.00 54.97 54.75 2dl6 s GLU 8 Cb -0.01 0.33 -0.03 0.00 -0.44 0.00 0.00 34.13 33.98 2dl6 s GLU 8 CO 0.11 -0.24 1.59 -1.25 0.95 0.00 0.00 175.26 176.42 2dl6 s PRO 9 N -1.54 3.88 0.50 -4.83 0.04 -1.26 -5.00 135.00 126.78 2dl6 s PRO 9 Ca -0.02 1.72 0.04 0.00 0.04 0.00 0.00 61.00 62.79 2dl6 s PRO 9 Cb -0.01 -4.01 -0.01 0.00 0.04 0.00 0.00 34.50 30.52 2dl6 s PRO 9 CO 0.01 -1.19 0.18 -0.80 0.04 0.00 0.00 177.00 175.23 2dl6 s ASN 10 N 3.94 4.36 1.22 6.66 -0.87 -1.26 -5.14 114.94 123.85 2dl6 s ASN 10 Ca 0.70 -1.37 -0.20 0.00 -1.57 0.00 0.00 52.86 50.42 2dl6 s ASN 10 Cb -0.26 0.22 0.29 0.00 -0.02 0.00 0.00 41.25 41.49 2dl6 s ASN 10 CO 0.28 -0.85 1.10 -1.38 -2.57 0.00 0.00 177.10 173.68 2dl6 s HIS 11 N -2.77 0.37 0.22 2.20 -3.43 -1.26 -4.96 115.29 105.66 2dl6 s HIS 11 Ca 0.25 0.49 -0.30 0.00 -0.80 0.00 0.00 55.06 54.69 2dl6 s HIS 11 Cb 0.01 -3.42 -0.09 0.00 -1.43 0.00 0.00 32.58 27.65 2dl6 s HIS 11 CO 0.14 -3.98 1.32 -0.51 -2.00 0.00 0.00 174.74 169.72 2dl6 s LEU 12 N -7.01 4.42 -0.07 5.38 1.43 -1.26 -4.90 118.68 116.66 2dl6 s LEU 12 Ca 0.71 2.45 0.08 0.00 -1.03 0.00 0.00 54.13 56.34 2dl6 s LEU 12 Cb -0.10 -3.61 0.35 0.00 0.03 0.00 0.00 46.19 42.86 2dl6 s LEU 12 CO 0.56 -0.54 1.14 -0.67 0.23 0.00 0.00 176.35 177.07 2dl6 n ASP 13 N 2.43 2.67 -3.51 2.29 2.03 -1.26 -4.93 116.55 116.27 2dl6 n ASP 13 Ca 0.06 -2.27 -0.30 0.00 0.52 0.00 0.00 54.79 52.79 2dl6 n ASP 13 Cb 0.42 -0.45 0.29 0.00 -0.72 0.00 0.00 41.12 40.66 2dl6 n ASP 13 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 2dl6 s VAL 14 N -1.71 1.24 -0.00 5.18 -7.23 -1.26 -5.05 120.40 111.57 2dl6 s VAL 14 Ca 0.24 0.00 0.06 0.00 -1.81 0.00 0.00 61.98 60.47 2dl6 s VAL 14 Cb 0.16 -2.01 -0.02 0.00 0.56 0.00 0.00 36.38 35.07 2dl6 s VAL 14 CO 0.10 0.00 -0.20 -1.81 -0.31 0.00 0.00 175.10 172.89 2dl6 s ASP 15 N -2.97 2.31 0.35 4.85 1.11 -1.26 -5.00 116.67 116.06 2dl6 s ASP 15 Ca 0.68 -0.39 0.16 0.00 0.18 0.00 0.00 52.55 53.19 2dl6 s ASP 15 Cb -0.15 -0.24 1.20 0.00 1.07 0.00 0.00 42.92 44.80 2dl6 s ASP 15 CO 0.59 0.22 1.59 -0.07 1.18 0.00 0.00 175.17 178.68 2dl6 h LEU 16 N 5.49 0.22 -0.65 1.23 3.38 -1.96 1.69 115.31 124.70 2dl6 h LEU 16 Ca -0.39 0.25 -0.14 0.00 0.09 0.00 0.00 57.88 57.69 2dl6 h LEU 16 Cb 1.15 0.28 -0.01 0.00 0.09 0.00 0.00 40.66 42.17 2dl6 h LEU 16 CO 0.47 -0.37 -0.54 1.05 0.09 0.00 0.00 178.44 179.14 2dl6 h GLU 17 N 0.06 0.38 -6.29 1.13 -0.00 -1.96 -3.18 114.58 104.71 2dl6 h GLU 17 Ca 0.78 -0.23 -0.64 0.00 -0.00 0.00 0.00 59.36 59.27 2dl6 h GLU 17 Cb 1.97 0.02 0.03 0.00 -0.00 0.00 0.00 28.75 30.77 2dl6 h GLU 17 CO -0.77 0.82 0.94 2.41 -0.00 0.00 0.00 179.01 182.42 2dl6 n THR 18 N -3.94 0.36 -1.93 -1.06 -1.04 0.58 -4.70 114.28 102.54 2dl6 n THR 18 Ca -0.02 -0.06 -0.30 0.00 -2.04 0.00 0.00 64.05 61.62 2dl6 n THR 18 Cb 0.58 -1.58 0.03 0.00 -1.82 0.00 0.00 70.33 67.54 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 3.01 3.15 -0.17 -2.82 1.81 -1.26 -1.44 118.95 121.23 2dl6 s ARG 19 Ca 0.90 0.54 0.00 0.00 -1.72 0.00 0.00 55.73 55.45 2dl6 s ARG 19 Cb -0.79 -2.07 0.04 0.00 -0.45 0.00 0.00 34.95 31.68 2dl6 s ARG 19 CO 0.51 -0.82 -0.09 0.42 -0.68 0.00 0.00 175.30 174.64 2dl6 s ILE 20 N -3.26 1.35 0.33 1.52 -1.09 -1.18 -4.77 121.20 114.09 2dl6 s ILE 20 Ca 0.56 -0.71 -0.28 0.00 -2.23 0.00 0.00 60.65 57.99 2dl6 s ILE 20 Cb -0.11 -1.43 -0.10 0.00 -1.58 0.00 0.00 42.46 39.24 2dl6 s ILE 20 CO 0.52 0.22 1.22 -2.16 -1.23 0.00 0.00 174.94 173.51 2dl6 s PRO 21 N 1.54 4.40 -0.10 2.79 0.04 -1.26 -4.57 135.00 137.83 2dl6 s PRO 21 Ca 0.01 2.03 -0.06 0.00 0.04 0.00 0.00 61.00 63.02 2dl6 s PRO 21 Cb -0.15 -3.05 0.04 0.00 0.04 0.00 0.00 34.50 31.38 2dl6 s PRO 21 CO -0.08 -0.08 0.25 0.14 0.04 0.00 0.00 177.00 177.26 2dl6 s VAL 22 N -1.19 -0.03 -0.36 -0.36 -7.23 -1.22 -2.61 120.40 107.40 2dl6 s VAL 22 Ca 0.49 0.11 -0.12 0.00 -1.81 0.00 0.00 61.98 60.65 2dl6 s VAL 22 Cb -0.36 -0.38 0.01 0.00 0.56 0.00 0.00 36.38 36.21 2dl6 s VAL 22 CO 0.47 0.04 0.21 -0.51 -0.31 0.00 0.00 175.10 175.01 2dl6 s ILE 23 N 0.98 4.82 1.05 -0.62 2.07 0.14 -1.58 121.20 128.06 2dl6 s ILE 23 Ca -0.07 -0.59 -0.14 0.00 -1.41 0.00 0.00 60.65 58.44 2dl6 s ILE 23 Cb -0.08 -3.58 0.14 0.00 0.13 0.00 0.00 42.46 39.07 2dl6 s ILE 23 CO -0.06 -0.12 0.55 -3.20 -1.91 0.00 0.00 174.94 170.20 2dl6 n ASN 24 N 5.04 -1.69 -0.04 4.50 4.05 0.18 -2.99 115.26 124.30 2dl6 n ASN 24 Ca -0.12 0.08 -0.05 0.00 0.45 0.00 0.00 54.58 54.94 2dl6 n ASN 24 Cb 0.48 -1.19 -0.06 0.00 1.23 0.00 0.00 39.78 40.24 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 -3.04 2.34 0.34 1.20 5.02 -1.23 -3.60 118.16 119.18 2dl6 n LYS 25 Ca 0.05 0.00 -0.17 0.00 -2.02 0.00 0.00 58.31 56.17 2dl6 n LYS 25 Cb 0.56 -1.21 -0.09 0.00 -0.02 0.00 0.00 35.03 34.27 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 0.40 0.00 -0.18 2.07 -1.94 -3.38 116.25 113.22 2dl6 h VAL 26 Ca -0.23 0.00 -0.19 0.00 0.82 0.00 0.00 66.70 67.10 2dl6 h VAL 26 Cb 1.50 0.40 -0.03 0.00 -1.52 0.00 0.00 31.29 31.63 2dl6 h VAL 26 CO 0.01 0.00 -1.71 -0.90 0.02 0.00 0.00 177.57 174.98 2dl6 n ASP 27 N -5.44 2.89 0.00 0.57 5.75 -1.26 -5.07 116.55 113.99 2dl6 n ASP 27 Ca -0.13 -0.05 0.00 0.00 -0.01 0.00 0.00 54.79 54.60 2dl6 n ASP 27 Cb 0.34 0.04 0.00 0.00 -1.03 0.00 0.00 41.12 40.46 2dl6 n ASP 27 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2dl6 n GLY 28 N 2.77 0.69 3.64 6.12 0.00 -1.24 -5.05 105.19 112.13 2dl6 n GLY 28 Ca -0.21 -0.39 -0.35 0.00 0.00 0.00 0.00 46.02 45.07 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 -1.37 4.72 -0.37 2.61 2.01 -1.26 -4.77 115.64 117.22 2dl6 s THR 29 Ca 0.00 -0.06 -0.14 0.00 0.31 0.00 0.00 61.69 61.80 2dl6 s THR 29 Cb 0.00 -3.11 -0.00 0.00 0.01 0.00 0.00 72.50 69.40 2dl6 s THR 29 CO 0.00 0.49 0.26 -0.22 -0.69 0.00 0.00 174.62 174.46 2dl6 s LEU 30 N 0.16 4.77 0.12 4.42 2.96 -1.26 -0.65 118.68 129.20 2dl6 s LEU 30 Ca 0.04 -0.64 -0.26 0.00 -0.22 0.00 0.00 54.13 53.05 2dl6 s LEU 30 Cb -0.12 -2.14 -0.07 0.00 0.50 0.00 0.00 46.19 44.35 2dl6 s LEU 30 CO 0.01 -0.33 0.81 -0.76 -1.32 0.00 0.00 176.35 174.75 2dl6 s LEU 31 N 1.70 4.54 -0.05 -0.68 1.43 -0.62 -4.93 118.68 120.07 2dl6 s LEU 31 Ca 0.06 1.61 -0.09 0.00 -1.03 0.00 0.00 54.13 54.68 2dl6 s LEU 31 Cb -0.18 -3.33 0.02 0.00 0.03 0.00 0.00 46.19 42.73 2dl6 s LEU 31 CO 0.10 0.10 0.21 0.68 0.23 0.00 0.00 176.35 177.68 2dl6 s VAL 32 N -0.62 0.04 0.00 -1.59 -7.23 -1.26 -3.40 120.40 106.33 2dl6 s VAL 32 Ca 0.38 -0.30 0.00 0.00 -1.81 0.00 0.00 61.98 60.25 2dl6 s VAL 32 Cb -0.22 -0.41 0.00 0.00 0.56 0.00 0.00 36.38 36.31 2dl6 s VAL 32 CO 0.26 -0.16 0.00 0.61 -0.31 0.00 0.00 175.10 175.49 2dl6 n GLY 33 N 2.20 2.87 0.32 2.32 0.00 -1.26 -2.43 105.19 109.20 2dl6 n GLY 33 Ca -0.17 -0.24 -0.04 0.00 0.00 0.00 0.00 46.02 45.57 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 0.96 -0.89 1.61 9.09 -1.98 -2.80 114.58 120.56 2dl6 h GLU 34 Ca 0.00 -0.19 0.23 0.00 0.05 0.00 0.00 59.36 59.46 2dl6 h GLU 34 Cb 0.00 -0.15 -0.13 0.00 -1.65 0.00 0.00 28.75 26.82 2dl6 h GLU 34 CO 0.00 0.82 0.34 -0.44 0.05 0.00 0.00 179.01 179.78 2dl6 h ASP 35 N 0.93 0.21 -3.20 3.06 3.32 -1.88 -3.40 116.42 115.45 2dl6 h ASP 35 Ca 0.21 0.17 -0.51 0.00 0.02 0.00 0.00 57.03 56.92 2dl6 h ASP 35 Cb 0.27 0.19 -0.00 0.00 0.22 0.00 0.00 39.33 40.00 2dl6 h ASP 35 CO -0.01 -0.08 -0.12 0.00 -1.72 0.00 0.00 179.24 177.32 2dl6 s ALA 36 N -5.89 3.60 1.25 3.45 0.00 -1.06 -4.81 121.76 118.31 2dl6 s ALA 36 Ca -0.12 -0.58 -0.21 0.00 0.00 0.00 0.00 51.96 51.06 2dl6 s ALA 36 Cb 0.26 -2.31 0.31 0.00 0.00 0.00 0.00 23.12 21.37 2dl6 s ALA 36 CO 0.78 0.17 1.11 -1.25 0.00 0.00 0.00 175.76 176.56 2dl6 s PRO 37 N -3.72 -1.60 -0.03 0.00 0.04 -1.26 -4.80 135.00 123.62 2dl6 s PRO 37 Ca 0.44 -0.20 -0.10 0.00 0.04 0.00 0.00 61.00 61.18 2dl6 s PRO 37 Cb -0.11 -1.56 -0.05 0.00 0.04 0.00 0.00 34.50 32.82 2dl6 s PRO 37 CO 0.32 -3.94 0.29 1.03 0.04 0.00 0.00 177.00 174.74 2dl6 s ARG 38 N -5.51 3.68 0.39 4.56 0.52 -1.26 -3.13 118.95 118.20 2dl6 s ARG 38 Ca 0.72 0.12 0.20 0.00 -0.52 0.00 0.00 55.73 56.25 2dl6 s ARG 38 Cb -0.08 -3.17 1.18 0.00 0.52 0.00 0.00 34.95 33.40 2dl6 s ARG 38 CO 0.56 0.71 1.70 -0.09 0.02 0.00 0.00 175.30 178.19 2dl6 h ARG 39 N 4.60 0.29 0.60 3.54 1.12 -1.29 0.35 114.38 123.59 2dl6 h ARG 39 Ca -0.52 -0.02 -0.03 0.00 -1.11 0.00 0.00 59.98 58.30 2dl6 h ARG 39 Cb 1.22 -0.07 0.00 0.00 -0.01 0.00 0.00 29.97 31.11 2dl6 h ARG 39 CO 0.61 0.19 -0.31 0.00 -3.11 0.00 0.00 179.97 177.36 2dl6 h ALA 40 N 1.67 -1.20 -0.03 2.80 0.00 -1.81 -2.58 119.26 118.11 2dl6 h ALA 40 Ca 0.69 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.42 2dl6 h ALA 40 Cb 1.83 0.37 0.00 0.00 0.00 0.00 0.00 17.79 19.99 2dl6 h ALA 40 CO -0.41 -1.15 0.00 -0.85 0.00 0.00 0.00 179.25 176.84 2dl6 n GLU 41 N -4.33 1.12 -0.14 0.00 0.28 -0.59 -3.83 120.64 113.15 2dl6 n GLU 41 Ca -0.10 -0.13 -0.09 0.00 -0.16 0.00 0.00 57.16 56.68 2dl6 n GLU 41 Cb 0.34 -1.27 0.06 0.00 1.43 0.00 0.00 31.44 32.00 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 0.19 0.92 0.84 -1.84 5.85 0.08 -0.81 115.31 120.53 2dl6 h LEU 42 Ca 0.00 -0.30 -0.04 0.00 0.84 0.00 0.00 57.88 58.38 2dl6 h LEU 42 Cb 0.29 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.07 2dl6 h LEU 42 CO 0.01 1.05 -0.48 -0.08 -0.34 0.00 0.00 178.44 178.61 2dl6 h GLU 43 N 0.81 -1.18 -0.15 1.25 4.81 -1.73 0.14 114.58 118.53 2dl6 h GLU 43 Ca 0.12 0.08 -0.03 0.00 -0.13 0.00 0.00 59.36 59.41 2dl6 h GLU 43 Cb 0.68 0.27 -0.01 0.00 0.63 0.00 0.00 28.75 30.31 2dl6 h GLU 43 CO 0.05 -0.78 -0.03 0.52 -0.73 0.00 0.00 179.01 178.03 2dl6 h MET 44 N -1.22 0.22 -0.51 1.92 2.86 -1.84 -2.43 114.93 113.94 2dl6 h MET 44 Ca -0.11 -0.03 -0.11 0.00 -2.06 0.00 0.00 59.70 57.39 2dl6 h MET 44 Cb 0.96 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.57 2dl6 h MET 44 CO 0.14 0.28 -0.10 2.35 1.06 0.00 0.00 176.91 180.64 2dl6 h TRP 45 N 0.22 1.08 0.00 -0.22 7.01 -0.83 -2.41 115.95 120.81 2dl6 h TRP 45 Ca 0.05 -0.23 0.00 0.00 2.11 0.00 0.00 58.89 60.83 2dl6 h TRP 45 Cb 0.21 -0.27 0.00 0.00 -2.10 0.00 0.00 29.16 27.00 2dl6 h TRP 45 CO 0.00 1.02 0.00 1.28 -2.79 0.00 0.00 178.44 177.96 2dl6 n LEU 46 N -4.20 0.61 -0.04 0.65 4.77 0.45 0.35 117.00 119.59 2dl6 n LEU 46 Ca 0.01 0.68 -0.12 0.00 -0.03 0.00 0.00 56.01 56.54 2dl6 n LEU 46 Cb 0.39 -0.62 -0.07 0.00 -2.33 0.00 0.00 43.42 40.78 2dl6 n LEU 46 CO 0.45 -0.63 0.69 1.56 -1.33 0.00 0.00 177.39 178.13 2dl6 h GLN 47 N 0.00 0.21 -0.00 3.23 4.20 -1.25 -2.58 115.11 118.91 2dl6 h GLN 47 Ca 0.00 -0.08 0.00 0.00 0.06 0.00 0.00 58.65 58.63 2dl6 h GLN 47 Cb 0.28 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.05 2dl6 h GLN 47 CO 0.00 0.53 -0.54 0.41 -0.67 0.00 0.00 178.83 178.56 2dl6 n GLY 48 N -0.07 -0.20 1.06 3.46 0.00 -1.12 -4.47 105.19 103.85 2dl6 n GLY 48 Ca -0.06 -0.38 -0.03 0.00 0.00 0.00 0.00 46.02 45.55 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 -1.05 0.88 0.98 1.61 8.25 0.15 -4.73 115.22 121.31 2dl6 n HIS 49 Ca 0.03 -1.71 0.08 0.00 -0.26 0.00 0.00 57.72 55.86 2dl6 n HIS 49 Cb 0.22 -0.35 0.45 0.00 1.12 0.00 0.00 29.99 31.43 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 0.00 -0.41 -0.04 -0.97 -3.00 135.00 130.04 2dl6 n PRO 50 Ca 0.28 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.81 2dl6 n PRO 50 Cb 0.82 -1.48 0.35 0.00 -0.04 0.00 0.00 33.50 33.15 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 -0.98 0.19 -3.52 0.54 1.02 -1.26 -4.73 120.64 111.90 2dl6 n GLU 51 Ca 0.11 0.16 -0.23 0.00 -0.02 0.00 0.00 57.16 57.18 2dl6 n GLU 51 Cb 0.05 -1.50 0.02 0.00 -0.02 0.00 0.00 31.44 29.99 2dl6 n GLU 51 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 2dl6 s PHE 52 N -2.58 1.55 -0.18 -0.32 0.40 -1.16 -3.58 117.98 112.11 2dl6 s PHE 52 Ca 0.13 -0.79 -0.07 0.00 -0.60 0.00 0.00 56.93 55.60 2dl6 s PHE 52 Cb 0.09 -2.04 0.08 0.00 0.51 0.00 0.00 43.02 41.66 2dl6 s PHE 52 CO 0.21 -0.75 0.40 0.00 0.70 0.00 0.00 175.22 175.77 2dl6 s ALA 53 N -2.72 -1.04 0.11 5.36 0.00 -1.16 -4.94 121.76 117.37 2dl6 s ALA 53 Ca 0.46 1.44 -0.34 0.00 0.00 0.00 0.00 51.96 53.51 2dl6 s ALA 53 Cb -0.04 -1.15 -0.14 0.00 0.00 0.00 0.00 23.12 21.79 2dl6 s ALA 53 CO 0.29 -0.58 1.57 0.28 0.00 0.00 0.00 175.76 177.32 2dl6 n VAL 54 N 5.01 0.07 -1.70 0.00 0.31 -1.26 0.25 118.33 121.01 2dl6 n VAL 54 Ca -0.13 -0.01 -0.42 0.00 -0.01 0.00 0.00 64.34 63.77 2dl6 n VAL 54 Cb 0.51 -1.45 0.00 0.00 -0.91 0.00 0.00 33.84 32.00 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 3.66 2.69 0.22 4.52 2.03 -1.07 -4.80 116.55 123.79 2dl6 n ASP 55 Ca 0.18 1.15 0.09 0.00 0.52 0.00 0.00 54.79 56.74 2dl6 n ASP 55 Cb 0.27 -1.50 0.50 0.00 -0.72 0.00 0.00 41.12 39.67 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 2.31 0.00 0.12 -0.67 0.13 -1.94 -3.19 132.00 128.77 2dl6 h PRO 56 Ca -0.47 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.65 2dl6 h PRO 56 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 2dl6 h PRO 56 CO 0.61 0.24 -0.06 0.00 -0.23 0.00 0.00 178.00 178.56 2dl6 h ARG 57 N 0.00 -0.16 -0.95 0.86 2.47 -2.00 -1.76 114.38 112.83 2dl6 h ARG 57 Ca -0.00 0.01 0.12 0.00 -1.26 0.00 0.00 59.98 58.85 2dl6 h ARG 57 Cb 0.67 0.04 -0.08 0.00 -1.65 0.00 0.00 29.97 28.94 2dl6 h ARG 57 CO 0.03 0.00 0.58 0.35 0.56 0.00 0.00 179.97 181.49 2dl6 h PHE 58 N -0.29 1.05 0.44 3.04 3.04 -1.94 -2.49 116.94 119.79 2dl6 h PHE 58 Ca -0.02 0.03 -0.02 0.00 3.98 0.00 0.00 57.97 61.94 2dl6 h PHE 58 Cb 0.24 -0.33 0.00 0.00 2.56 0.00 0.00 35.95 38.42 2dl6 h PHE 58 CO -0.03 0.40 -0.21 -0.07 -2.02 0.00 0.00 178.31 176.38 2dl6 h LEU 59 N 0.91 -0.50 -0.91 0.59 3.38 -1.56 -3.13 115.31 114.08 2dl6 h LEU 59 Ca 0.48 -0.06 0.16 0.00 0.09 0.00 0.00 57.88 58.55 2dl6 h LEU 59 Cb 0.49 0.13 -0.16 0.00 0.09 0.00 0.00 40.66 41.21 2dl6 h LEU 59 CO -0.27 -0.24 -0.29 0.00 0.09 0.00 0.00 178.44 177.72 2dl6 n ALA 60 N -2.44 0.06 -0.27 1.53 0.00 -0.68 -0.34 120.51 118.37 2dl6 n ALA 60 Ca -0.11 0.96 -0.00 0.00 0.00 0.00 0.00 53.44 54.29 2dl6 n ALA 60 Cb 0.28 -0.51 0.03 0.00 0.00 0.00 0.00 19.45 19.26 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 -5.42 0.04 -0.08 0.00 9.36 -1.14 0.18 117.16 120.10 2dl6 n TYR 61 Ca 0.12 0.86 -0.13 0.00 3.32 0.00 0.00 57.90 62.07 2dl6 n TYR 61 Cb 0.41 -0.77 -0.09 0.00 -0.63 0.00 0.00 39.34 38.26 2dl6 n TYR 61 CO 0.00 0.00 0.00 0.52 0.22 0.00 0.00 176.86 177.60 2dl6 h MET 62 N 0.00 -0.42 -0.86 2.98 2.86 -0.83 -1.31 114.93 117.34 2dl6 h MET 62 Ca 0.25 0.03 0.16 0.00 -2.06 0.00 0.00 59.70 58.08 2dl6 h MET 62 Cb 0.43 0.10 -0.15 0.00 0.06 0.00 0.00 31.60 32.03 2dl6 h MET 62 CO -0.70 -0.28 -0.27 0.39 1.06 0.00 0.00 176.91 177.12 2dl6 n GLU 63 N -5.20 -0.13 -0.28 1.72 4.71 0.13 0.17 120.64 121.76 2dl6 n GLU 63 Ca -0.04 1.34 0.03 0.00 -0.01 0.00 0.00 57.16 58.48 2dl6 n GLU 63 Cb 0.33 -2.00 0.08 0.00 -1.01 0.00 0.00 31.44 28.84 2dl6 n GLU 63 CO 0.00 0.00 0.00 -3.47 0.09 0.00 0.00 177.13 173.75 2dl6 n ASP 64 N -5.35 -0.35 -0.29 1.62 -0.08 -0.49 0.23 116.55 111.83 2dl6 n ASP 64 Ca 0.12 1.31 0.04 0.00 -1.51 0.00 0.00 54.79 54.75 2dl6 n ASP 64 Cb 0.40 -0.36 0.19 0.00 2.34 0.00 0.00 41.12 43.68 2dl6 n ASP 64 CO 0.00 0.00 0.00 0.03 0.12 0.00 0.00 177.20 177.35 2dl6 h ARG 65 N 0.00 0.69 -0.38 -0.67 -0.00 -0.36 -2.19 114.38 111.47 2dl6 h ARG 65 Ca 0.33 -0.04 0.08 0.00 -0.50 0.00 0.00 59.98 59.85 2dl6 h ARG 65 Cb 0.52 -0.16 -0.09 0.00 0.00 0.00 0.00 29.97 30.24 2dl6 h ARG 65 CO -0.77 0.46 -0.28 0.00 0.00 0.00 0.00 179.97 179.38 2dl6 h ARG 66 N 0.71 -0.21 -0.99 0.04 2.47 0.28 -0.81 114.38 115.87 2dl6 h ARG 66 Ca 0.42 0.01 0.28 0.00 -1.26 0.00 0.00 59.98 59.43 2dl6 h ARG 66 Cb 0.48 0.05 -0.18 0.00 -1.65 0.00 0.00 29.97 28.66 2dl6 h ARG 66 CO -0.29 -0.14 0.06 0.87 0.56 0.00 0.00 179.97 181.02 2dl6 h LYS 67 N -0.22 0.01 -0.80 0.04 6.56 -1.23 0.57 116.57 121.49 2dl6 h LYS 67 Ca 0.18 -0.00 0.19 0.00 -1.06 0.00 0.00 60.65 59.96 2dl6 h LYS 67 Cb 0.50 -0.00 -0.14 0.00 -0.57 0.00 0.00 32.23 32.02 2dl6 h LYS 67 CO -0.50 0.01 0.05 0.37 -2.06 0.00 0.00 179.45 177.31 2dl6 h GLN 68 N 0.01 0.11 -3.15 3.15 4.15 -1.20 -3.39 115.11 114.79 2dl6 h GLN 68 Ca 0.61 -0.01 -0.25 0.00 0.77 0.00 0.00 58.65 59.78 2dl6 h GLN 68 Cb 1.29 -0.03 -0.33 0.00 0.21 0.00 0.00 27.48 28.63 2dl6 h GLN 68 CO -0.91 0.07 -0.59 0.21 -1.93 0.00 0.00 178.83 175.68 2dl6 s LYS 69 N -6.08 0.10 0.25 1.69 2.47 0.20 -5.06 119.74 113.30 2dl6 s LYS 69 Ca -0.13 0.47 0.07 0.00 -1.56 0.00 0.00 55.97 54.82 2dl6 s LYS 69 Cb 0.24 -0.19 -0.04 0.00 -1.46 0.00 0.00 37.83 36.38 2dl6 s LYS 69 CO 0.76 -0.21 0.18 -1.58 0.16 0.00 0.00 175.35 174.66 2dl6 s TRP 70 N 1.57 3.09 0.97 4.03 0.52 -1.24 -4.69 118.94 123.19 2dl6 s TRP 70 Ca -0.05 -0.11 -0.13 0.00 0.02 0.00 0.00 56.10 55.83 2dl6 s TRP 70 Cb -0.12 -1.40 0.07 0.00 -1.15 0.00 0.00 33.47 30.87 2dl6 s TRP 70 CO -0.06 0.53 0.47 1.04 0.02 0.00 0.00 176.95 178.94 2dl6 n GLN 71 N -1.12 -0.53 -0.24 4.98 3.00 -1.26 -4.75 117.38 117.46 2dl6 n GLN 71 Ca -0.08 -0.11 0.21 0.00 -0.01 0.00 0.00 57.00 57.01 2dl6 n GLN 71 Cb 0.58 -1.91 0.40 0.00 0.00 0.00 0.00 30.24 29.30 2dl6 n GLN 71 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.06 179.95 2dl6 n ARG 72 N -2.16 -0.05 -2.39 -1.09 1.85 -1.26 -4.23 116.66 107.34 2dl6 n ARG 72 Ca 0.07 1.05 -0.41 0.00 -1.00 0.00 0.00 57.85 57.56 2dl6 n ARG 72 Cb 0.54 -1.84 -0.04 0.00 -1.05 0.00 0.00 32.46 30.08 2dl6 n ARG 72 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2dl6 s LYS 74 N -1.20 3.92 0.16 0.00 2.20 -1.26 -4.91 119.74 118.65 2dl6 s LYS 74 Ca 0.47 1.07 -0.14 0.00 -0.36 0.00 0.00 55.97 57.01 2dl6 s LYS 74 Cb -0.33 -3.84 0.05 0.00 -1.51 0.00 0.00 37.83 32.20 2dl6 s LYS 74 CO 0.42 -1.11 1.79 -0.22 -0.36 0.00 0.00 175.35 175.87 2dl6 h LYS 75 N 8.94 0.70 -7.38 4.03 1.63 -1.93 -3.43 116.57 119.13 2dl6 h LYS 75 Ca -0.24 -0.07 -0.48 0.00 -0.85 0.00 0.00 60.65 59.01 2dl6 h LYS 75 Cb 1.08 -0.14 0.13 0.00 -0.60 0.00 0.00 32.23 32.70 2dl6 h LYS 75 CO 1.05 0.52 0.28 1.21 -3.45 0.00 0.00 179.45 179.06 2dl6 s ASN 76 N -5.77 3.75 -0.04 4.20 3.84 -1.26 -5.08 114.94 114.58 2dl6 s ASN 76 Ca -0.13 1.36 -0.29 0.00 0.21 0.00 0.00 52.86 54.01 2dl6 s ASN 76 Cb 0.12 -2.05 0.10 0.00 -0.55 0.00 0.00 41.25 38.87 2dl6 s ASN 76 CO 0.75 -2.45 0.84 0.21 -2.79 0.00 0.00 177.10 173.67 2dl6 s ASN 77 N -3.63 -0.45 0.83 -4.21 2.47 -1.26 -5.16 114.94 103.52 2dl6 s ASN 77 Ca 0.63 0.27 -0.13 0.00 0.42 0.00 0.00 52.86 54.05 2dl6 s ASN 77 Cb -0.17 0.42 0.09 0.00 -1.45 0.00 0.00 41.25 40.14 2dl6 s ASN 77 CO 0.56 -0.58 1.13 -1.20 -3.72 0.00 0.00 177.10 173.29 2dl6 n SER 78 N 0.28 0.69 0.00 -4.21 7.64 -1.26 -4.91 113.62 111.85 2dl6 n SER 78 Ca -0.12 0.55 0.00 0.00 1.01 0.00 0.00 58.87 60.30 2dl6 n SER 78 Cb 0.60 -1.48 0.00 0.00 -1.01 0.00 0.00 64.21 62.32 2dl6 n SER 78 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dl6 n GLY 79 N 0.58 -2.57 3.55 0.23 0.00 -1.26 -3.70 105.19 102.03 2dl6 n GLY 79 Ca 0.13 0.51 -0.37 0.00 0.00 0.00 0.00 46.02 46.29 2dl6 n GLY 79 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dl6 s PRO 80 N -2.25 2.62 -0.04 1.61 0.04 -1.26 -4.94 135.00 130.77 2dl6 s PRO 80 Ca 0.00 0.52 -0.01 0.00 0.04 0.00 0.00 61.00 61.54 2dl6 s PRO 80 Cb 0.00 -4.46 0.03 0.00 0.04 0.00 0.00 34.50 30.12 2dl6 s PRO 80 CO 0.00 -2.80 0.08 -1.54 0.04 0.00 0.00 177.00 172.78 2dl6 s SER 81 N 8.10 0.05 -0.35 6.66 1.04 -1.24 -5.12 113.70 122.83 2dl6 s SER 81 Ca 0.67 0.16 -0.00 0.00 0.48 0.00 0.00 55.95 57.26 2dl6 s SER 81 Cb -0.12 0.04 0.09 0.00 0.10 0.00 0.00 66.02 66.13 2dl6 s SER 81 CO 0.18 -0.15 0.09 -0.44 0.98 0.00 0.00 173.24 173.91 2dl6 s SER 82 N 1.19 4.98 0.00 7.02 0.01 -1.26 -5.13 113.70 120.51 2dl6 s SER 82 Ca -0.08 -1.81 0.00 0.00 1.31 0.00 0.00 55.95 55.37 2dl6 s SER 82 Cb -0.12 -1.73 0.00 0.00 0.21 0.00 0.00 66.02 64.38 2dl6 s SER 82 CO -0.04 -0.40 0.20 0.61 0.41 0.00 0.00 173.24 174.02