#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2da1 s SER 2 N 0.00 4.69 -0.66 1.61 0.01 -1.26 -4.92 113.70 113.17 2da1 s SER 2 Ca 0.00 2.58 -0.25 0.00 1.31 0.00 0.00 55.95 59.59 2da1 s SER 2 Cb 0.00 -2.62 0.04 0.00 0.21 0.00 0.00 66.02 63.66 2da1 s SER 2 CO 0.00 -1.94 1.12 -0.55 0.41 0.00 0.00 173.24 172.28 2da1 s SER 3 N -1.43 6.24 -0.02 2.44 0.15 -1.26 -4.75 113.70 115.06 2da1 s SER 3 Ca 0.82 -0.51 -0.00 0.00 0.70 0.00 0.00 55.95 56.96 2da1 s SER 3 Cb -0.36 -2.50 -0.01 0.00 -1.71 0.00 0.00 66.02 61.44 2da1 s SER 3 CO 0.39 -1.57 -0.02 0.61 1.20 0.00 0.00 173.24 173.85 2da1 n GLY 4 N 5.28 -0.02 3.70 9.45 0.00 -1.26 -5.07 105.19 117.26 2da1 n GLY 4 Ca 0.02 -0.01 -0.29 0.00 0.00 0.00 0.00 46.02 45.74 2da1 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2da1 s SER 5 N -4.45 2.78 -0.13 1.61 0.01 -1.26 -5.01 113.70 107.25 2da1 s SER 5 Ca -0.02 1.14 -0.22 0.00 1.31 0.00 0.00 55.95 58.15 2da1 s SER 5 Cb 0.01 -1.79 -0.20 0.00 0.21 0.00 0.00 66.02 64.25 2da1 s SER 5 CO 0.04 -3.03 0.60 0.28 0.41 0.00 0.00 173.24 171.53 2da1 h SER 6 N -1.82 -0.00 -3.51 2.44 0.02 -2.03 -3.51 113.55 105.14 2da1 h SER 6 Ca -0.54 -0.77 0.00 0.00 -0.84 0.00 0.00 61.79 59.64 2da1 h SER 6 Cb 1.33 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.87 2da1 h SER 6 CO 0.58 0.88 0.00 0.61 -1.14 0.00 0.00 176.83 177.77 2da1 n GLY 7 N 1.64 0.37 3.48 -3.77 0.00 -1.26 -5.05 105.19 100.61 2da1 n GLY 7 Ca -0.08 -2.27 -0.19 0.00 0.00 0.00 0.00 46.02 43.49 2da1 n GLY 7 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2da1 n LYS 8 N 0.00 -6.95 -2.77 1.61 3.00 -1.26 -4.96 118.16 106.82 2da1 n LYS 8 Ca 0.00 0.84 -0.40 0.00 -0.00 0.00 0.00 58.31 58.75 2da1 n LYS 8 Cb 0.00 -5.86 -0.06 0.00 0.00 0.00 0.00 35.03 29.11 2da1 n LYS 8 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.40 177.90 2da1 s ARG 9 N -5.63 4.81 0.01 1.64 3.52 -1.26 -5.01 118.95 117.03 2da1 s ARG 9 Ca 0.16 1.45 -0.30 0.00 -0.13 0.00 0.00 55.73 56.91 2da1 s ARG 9 Cb -0.07 -3.23 -0.06 0.00 -1.56 0.00 0.00 34.95 30.03 2da1 s ARG 9 CO 0.73 0.50 1.44 -1.25 -0.81 0.00 0.00 175.30 175.91 2da1 s PRO 10 N -1.26 4.27 -0.19 5.12 0.04 -1.26 -5.01 135.00 136.70 2da1 s PRO 10 Ca 0.42 2.02 -0.10 0.00 0.04 0.00 0.00 61.00 63.38 2da1 s PRO 10 Cb -0.25 -3.58 0.07 0.00 0.04 0.00 0.00 34.50 30.78 2da1 s PRO 10 CO 0.31 -0.60 0.46 0.50 0.04 0.00 0.00 177.00 177.71 2da1 s ARG 11 N 2.46 0.43 0.60 4.56 3.52 -1.26 -5.16 118.95 124.09 2da1 s ARG 11 Ca 0.65 0.92 -0.14 0.00 -0.13 0.00 0.00 55.73 57.03 2da1 s ARG 11 Cb -0.33 0.09 -0.04 0.00 -1.56 0.00 0.00 34.95 33.11 2da1 s ARG 11 CO 0.27 -0.17 1.03 0.99 -0.81 0.00 0.00 175.30 176.61 2da1 s THR 12 N 1.69 4.16 -0.10 4.11 2.01 -1.26 -5.06 115.64 121.19 2da1 s THR 12 Ca -0.08 0.92 -0.03 0.00 0.31 0.00 0.00 61.69 62.81 2da1 s THR 12 Cb -0.09 -3.54 -0.03 0.00 0.01 0.00 0.00 72.50 68.86 2da1 s THR 12 CO -0.14 -0.70 0.01 -0.60 -0.69 0.00 0.00 174.62 172.50 2da1 s ARG 13 N -4.40 3.11 0.11 4.92 3.52 -1.26 -5.11 118.95 119.86 2da1 s ARG 13 Ca 0.60 -0.39 -0.15 0.00 -0.13 0.00 0.00 55.73 55.66 2da1 s ARG 13 Cb -0.13 -2.85 -0.07 0.00 -1.56 0.00 0.00 34.95 30.34 2da1 s ARG 13 CO 0.41 0.65 0.52 0.42 -0.81 0.00 0.00 175.30 176.49 2da1 s ILE 14 N -0.74 4.88 0.38 4.11 1.01 -1.26 -5.09 121.20 124.48 2da1 s ILE 14 Ca 0.12 0.85 0.08 0.00 0.00 0.00 0.00 60.65 61.70 2da1 s ILE 14 Cb -0.12 -3.75 -0.05 0.00 0.01 0.00 0.00 42.46 38.56 2da1 s ILE 14 CO 0.02 0.33 0.16 0.28 0.00 0.00 0.00 174.94 175.73 2da1 s THR 15 N -1.36 2.64 0.51 2.92 -1.32 -1.26 -4.96 115.64 112.81 2da1 s THR 15 Ca 0.35 -1.70 0.20 0.00 -1.21 0.00 0.00 61.69 59.32 2da1 s THR 15 Cb -0.16 -2.97 0.34 0.00 -1.51 0.00 0.00 72.50 68.21 2da1 s THR 15 CO 0.18 -0.09 2.04 0.44 -2.21 0.00 0.00 174.62 174.98 2da1 h ASP 16 N 1.49 0.08 0.62 8.08 3.32 -1.98 0.32 116.42 128.35 2da1 h ASP 16 Ca -0.43 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.51 2da1 h ASP 16 Cb 1.25 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 40.77 2da1 h ASP 16 CO 0.66 0.05 -0.53 0.44 -1.72 0.00 0.00 179.24 178.14 2da1 h ASP 17 N 0.09 0.00 0.51 6.45 3.32 -2.00 -2.09 116.42 122.69 2da1 h ASP 17 Ca 0.18 0.00 -0.29 0.00 0.02 0.00 0.00 57.03 56.94 2da1 h ASP 17 Cb 0.60 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.10 2da1 h ASP 17 CO -0.02 0.53 -1.68 1.56 -1.72 0.00 0.00 179.24 177.92 2da1 h GLN 18 N 0.00 0.01 -0.14 3.56 4.20 -1.24 -3.37 115.11 118.13 2da1 h GLN 18 Ca -0.01 -0.01 -0.06 0.00 0.06 0.00 0.00 58.65 58.63 2da1 h GLN 18 Cb 0.98 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.77 2da1 h GLN 18 CO 0.07 0.54 -0.14 1.25 -0.67 0.00 0.00 178.83 179.87 2da1 h LEU 19 N 0.00 0.38 -1.27 1.46 5.85 -0.44 -3.09 115.31 118.19 2da1 h LEU 19 Ca -0.27 -0.48 0.23 0.00 0.84 0.00 0.00 57.88 58.19 2da1 h LEU 19 Cb 2.00 -0.11 -0.09 0.00 0.37 0.00 0.00 40.66 42.83 2da1 h LEU 19 CO 0.08 0.78 0.63 0.08 -0.34 0.00 0.00 178.44 179.67 2da1 h ARG 20 N -0.02 0.50 -0.18 1.25 0.11 -1.55 0.49 114.38 114.98 2da1 h ARG 20 Ca 0.02 -0.03 -0.07 0.00 0.10 0.00 0.00 59.98 60.01 2da1 h ARG 20 Cb 0.67 -0.11 -0.01 0.00 1.11 0.00 0.00 29.97 31.63 2da1 h ARG 20 CO 0.04 0.33 -0.19 0.28 0.10 0.00 0.00 179.97 180.53 2da1 h VAL 21 N 0.51 1.22 0.00 0.08 2.07 -1.69 0.62 116.25 119.07 2da1 h VAL 21 Ca 0.57 -1.00 0.00 0.00 0.82 0.00 0.00 66.70 67.08 2da1 h VAL 21 Cb 1.24 1.29 0.00 0.00 -1.52 0.00 0.00 31.29 32.30 2da1 h VAL 21 CO -0.31 0.31 -0.73 -0.07 0.02 0.00 0.00 177.57 176.80 2da1 h LEU 22 N 0.29 0.00 0.11 2.57 3.38 -0.21 -3.34 115.31 118.11 2da1 h LEU 22 Ca 0.05 -0.03 -0.23 0.00 0.09 0.00 0.00 57.88 57.76 2da1 h LEU 22 Cb 0.50 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.25 2da1 h LEU 22 CO 0.03 0.02 -1.14 0.03 0.09 0.00 0.00 178.44 177.47 2da1 h ARG 23 N 0.00 0.24 -0.97 1.13 2.47 -0.04 -2.98 114.38 114.23 2da1 h ARG 23 Ca 0.00 -0.41 0.16 0.00 -1.26 0.00 0.00 59.98 58.48 2da1 h ARG 23 Cb 0.96 0.15 -0.10 0.00 -1.65 0.00 0.00 29.97 29.33 2da1 h ARG 23 CO 0.00 1.20 0.58 -0.56 0.56 0.00 0.00 179.97 181.74 2da1 h GLN 24 N -0.39 0.76 -0.07 0.04 3.07 -1.03 -1.39 115.11 116.09 2da1 h GLN 24 Ca -0.24 -0.05 -0.20 0.00 0.09 0.00 0.00 58.65 58.26 2da1 h GLN 24 Cb 1.66 -0.17 0.01 0.00 0.08 0.00 0.00 27.48 29.06 2da1 h GLN 24 CO 0.07 0.51 -0.72 1.88 0.09 0.00 0.00 178.83 180.66 2da1 h TYR 25 N 0.79 0.87 -0.79 0.06 -1.99 -1.69 -3.30 116.97 110.92 2da1 h TYR 25 Ca 0.54 -0.42 0.07 0.00 2.00 0.00 0.00 58.73 60.92 2da1 h TYR 25 Cb 0.75 -0.12 -0.09 0.00 2.00 0.00 0.00 36.73 39.27 2da1 h TYR 25 CO -0.02 1.24 -0.46 0.34 -0.00 0.00 0.00 178.16 179.25 2da1 n PHE 26 N -4.06 -0.35 0.02 4.88 7.35 -0.53 -0.74 117.46 124.02 2da1 n PHE 26 Ca -0.09 0.98 -0.12 0.00 -0.76 0.00 0.00 57.45 57.46 2da1 n PHE 26 Cb 0.72 -0.56 -0.06 0.00 0.35 0.00 0.00 39.48 39.94 2da1 n PHE 26 CO 0.00 0.00 0.00 -0.44 -0.76 0.00 0.00 176.76 175.56 2da1 h ASP 27 N 0.00 -1.18 -0.97 -2.13 5.19 -1.65 -0.98 116.42 114.70 2da1 h ASP 27 Ca 0.13 0.16 0.27 0.00 -0.62 0.00 0.00 57.03 56.96 2da1 h ASP 27 Cb 0.32 0.48 -0.14 0.00 0.18 0.00 0.00 39.33 40.18 2da1 h ASP 27 CO -0.74 -0.41 0.50 0.40 -3.12 0.00 0.00 179.24 175.87 2da1 h ILE 28 N -0.48 0.41 -2.34 0.35 2.04 -1.03 -3.40 117.51 113.06 2da1 h ILE 28 Ca 0.07 -0.14 -0.05 0.00 1.00 0.00 0.00 64.86 65.75 2da1 h ILE 28 Cb 0.61 -0.03 -0.24 0.00 -0.74 0.00 0.00 36.82 36.41 2da1 h ILE 28 CO -0.35 0.07 -0.17 0.21 0.00 0.00 0.00 178.15 177.91 2da1 s ASN 29 N -5.07 -0.70 0.06 1.72 2.47 0.08 -5.07 114.94 108.43 2da1 s ASN 29 Ca -0.11 1.19 -0.12 0.00 0.42 0.00 0.00 52.86 54.24 2da1 s ASN 29 Cb 0.28 1.15 -0.03 0.00 -1.45 0.00 0.00 41.25 41.20 2da1 s ASN 29 CO 0.79 -0.22 0.94 0.59 -3.72 0.00 0.00 177.10 175.48 2da1 n ASN 30 N 4.44 -0.42 -4.30 -4.21 5.03 -1.13 -4.13 115.26 110.55 2da1 n ASN 30 Ca -0.20 1.04 -0.28 0.00 0.87 0.00 0.00 54.58 56.00 2da1 n ASN 30 Cb 0.56 -0.26 -0.15 0.00 -1.02 0.00 0.00 39.78 38.91 2da1 n ASN 30 CO 0.00 0.00 0.00 -0.44 -1.83 0.00 0.00 177.26 174.99 2da1 s SER 31 N -4.28 2.87 0.94 6.41 0.01 -1.26 -4.74 113.70 113.66 2da1 s SER 31 Ca -0.05 -0.55 -0.12 0.00 1.31 0.00 0.00 55.95 56.54 2da1 s SER 31 Cb 0.04 -0.26 0.15 0.00 0.21 0.00 0.00 66.02 66.17 2da1 s SER 31 CO 0.24 0.22 1.09 -2.16 0.41 0.00 0.00 173.24 173.05 2da1 s PRO 32 N -1.17 0.90 0.18 12.44 0.04 -1.26 -5.07 135.00 141.06 2da1 s PRO 32 Ca 0.10 0.70 0.08 0.00 0.04 0.00 0.00 61.00 61.92 2da1 s PRO 32 Cb -0.09 -1.78 -0.04 0.00 0.04 0.00 0.00 34.50 32.63 2da1 s PRO 32 CO 0.02 -2.45 -0.06 -1.54 0.04 0.00 0.00 177.00 173.01 2da1 s SER 33 N -3.43 4.44 0.45 6.66 1.04 -1.26 -4.84 113.70 116.75 2da1 s SER 33 Ca 0.64 -0.52 0.40 0.00 0.48 0.00 0.00 55.95 56.95 2da1 s SER 33 Cb -0.18 -0.82 1.40 0.00 0.10 0.00 0.00 66.02 66.51 2da1 s SER 33 CO 0.57 0.10 1.27 -0.62 0.98 0.00 0.00 173.24 175.54 2da1 n GLU 34 N -0.03 -0.00 -0.04 4.02 1.02 -1.26 0.19 120.64 124.54 2da1 n GLU 34 Ca -0.10 0.90 -0.14 0.00 -0.02 0.00 0.00 57.16 57.80 2da1 n GLU 34 Cb 0.55 -2.04 -0.11 0.00 -0.02 0.00 0.00 31.44 29.82 2da1 n GLU 34 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 2da1 h GLU 35 N 0.00 0.05 -0.11 3.49 5.08 -2.00 -3.12 114.58 117.97 2da1 h GLU 35 Ca 0.77 -0.05 -0.05 0.00 -1.00 0.00 0.00 59.36 59.03 2da1 h GLU 35 Cb 3.02 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 32.28 2da1 h GLU 35 CO -0.04 0.76 -0.12 1.96 -1.00 0.00 0.00 179.01 180.56 2da1 h GLN 36 N -0.64 0.28 -0.90 2.33 4.20 0.17 -1.61 115.11 118.93 2da1 h GLN 36 Ca -0.01 -0.15 0.26 0.00 0.06 0.00 0.00 58.65 58.81 2da1 h GLN 36 Cb 0.78 0.01 -0.04 0.00 0.30 0.00 0.00 27.48 28.53 2da1 h GLN 36 CO 0.01 0.70 0.67 0.82 -0.67 0.00 0.00 178.83 180.37 2da1 h ILE 37 N -0.13 0.50 0.00 2.54 2.04 -0.64 0.20 117.51 122.02 2da1 h ILE 37 Ca 0.02 0.00 -0.14 0.00 1.00 0.00 0.00 64.86 65.74 2da1 h ILE 37 Cb 0.66 0.52 -0.02 0.00 -0.74 0.00 0.00 36.82 37.24 2da1 h ILE 37 CO 0.03 0.00 -0.76 0.50 0.00 0.00 0.00 178.15 177.93 2da1 h LYS 38 N 0.00 0.00 -0.64 2.37 1.63 -1.46 -2.74 116.57 115.73 2da1 h LYS 38 Ca 0.43 0.00 0.12 0.00 -0.85 0.00 0.00 60.65 60.35 2da1 h LYS 38 Cb 1.77 0.00 -0.04 0.00 -0.60 0.00 0.00 32.23 33.36 2da1 h LYS 38 CO -0.00 0.94 0.43 1.05 -3.45 0.00 0.00 179.45 178.42 2da1 h GLU 39 N -1.00 0.36 0.03 1.90 4.11 -0.32 -2.31 114.58 117.35 2da1 h GLU 39 Ca -0.20 -0.02 -0.05 0.00 0.07 0.00 0.00 59.36 59.15 2da1 h GLU 39 Cb 1.14 -0.08 0.01 0.00 0.50 0.00 0.00 28.75 30.31 2da1 h GLU 39 CO -0.12 0.24 -0.23 0.52 0.07 0.00 0.00 179.01 179.48 2da1 h MET 40 N 0.37 0.10 -0.84 1.06 2.86 -0.78 -2.70 114.93 114.99 2da1 h MET 40 Ca 0.30 -0.15 0.24 0.00 -2.06 0.00 0.00 59.70 58.04 2da1 h MET 40 Cb 0.69 0.05 -0.03 0.00 0.06 0.00 0.00 31.60 32.37 2da1 h MET 40 CO -0.08 1.03 0.94 0.00 1.06 0.00 0.00 176.91 179.85 2da1 h ALA 41 N 0.08 2.69 0.05 6.32 0.00 -1.09 0.31 119.26 127.61 2da1 h ALA 41 Ca -0.04 -0.03 -0.35 0.00 0.00 0.00 0.00 54.91 54.49 2da1 h ALA 41 Cb 1.13 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.95 2da1 h ALA 41 CO 0.04 -1.37 -1.99 -3.47 0.00 0.00 0.00 179.25 172.46 2da1 n ASP 42 N -3.44 2.00 -0.19 0.00 2.03 -1.10 -1.64 116.55 114.23 2da1 n ASP 42 Ca 0.18 0.22 -0.04 0.00 0.52 0.00 0.00 54.79 55.67 2da1 n ASP 42 Cb 1.21 -0.79 0.06 0.00 -0.72 0.00 0.00 41.12 40.88 2da1 n ASP 42 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 2da1 h LYS 43 N -0.39 0.57 0.10 -0.67 1.57 -0.19 -3.19 116.57 114.38 2da1 h LYS 43 Ca -0.48 -0.03 -0.36 0.00 -1.87 0.00 0.00 60.65 57.91 2da1 h LYS 43 Cb 1.75 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 33.91 2da1 h LYS 43 CO -0.10 0.37 -1.99 -1.13 -0.57 0.00 0.00 179.45 176.03 2da1 n SER 44 N -4.83 2.09 0.00 0.86 3.41 0.36 -5.00 113.62 110.51 2da1 n SER 44 Ca 0.05 0.20 0.00 0.00 -0.26 0.00 0.00 58.87 58.86 2da1 n SER 44 Cb 0.13 -0.83 0.00 0.00 -0.26 0.00 0.00 64.21 63.24 2da1 n SER 44 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2da1 n GLY 45 N 1.97 0.70 3.79 5.00 0.00 -0.65 -5.02 105.19 110.98 2da1 n GLY 45 Ca -0.33 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.32 2da1 n GLY 45 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2da1 s LEU 46 N 0.00 4.36 0.75 0.99 1.43 -1.11 -4.90 118.68 120.20 2da1 s LEU 46 Ca 0.00 1.72 -0.11 0.00 -1.03 0.00 0.00 54.13 54.71 2da1 s LEU 46 Cb 0.00 -3.86 0.05 0.00 0.03 0.00 0.00 46.19 42.41 2da1 s LEU 46 CO 0.00 -0.02 1.09 -2.16 0.23 0.00 0.00 176.35 175.49 2da1 s PRO 47 N -1.97 2.36 0.27 1.29 0.04 -1.26 -4.14 135.00 131.58 2da1 s PRO 47 Ca 0.47 1.21 -0.03 0.00 0.04 0.00 0.00 61.00 62.69 2da1 s PRO 47 Cb -0.18 -1.91 0.37 0.00 0.04 0.00 0.00 34.50 32.82 2da1 s PRO 47 CO 0.23 -1.57 1.91 1.96 0.04 0.00 0.00 177.00 179.57 2da1 h GLN 48 N -0.91 1.19 -0.79 4.56 4.20 -1.94 -0.75 115.11 120.67 2da1 h GLN 48 Ca -0.44 -0.07 0.03 0.00 0.06 0.00 0.00 58.65 58.22 2da1 h GLN 48 Cb 1.23 -0.27 -0.04 0.00 0.30 0.00 0.00 27.48 28.70 2da1 h GLN 48 CO 0.52 0.79 0.52 1.57 -0.67 0.00 0.00 178.83 181.55 2da1 h LYS 49 N 1.23 0.97 0.14 1.46 2.10 -1.97 0.74 116.57 121.23 2da1 h LYS 49 Ca 0.39 -0.06 -0.01 0.00 -2.00 0.00 0.00 60.65 58.98 2da1 h LYS 49 Cb 0.02 -0.22 0.00 0.00 -0.90 0.00 0.00 32.23 31.14 2da1 h LYS 49 CO -0.13 0.64 -0.07 0.28 -2.00 0.00 0.00 179.45 178.17 2da1 h VAL 50 N 0.99 0.77 -0.10 0.07 2.07 -1.67 -2.70 116.25 115.69 2da1 h VAL 50 Ca 0.31 -1.20 0.04 0.00 0.82 0.00 0.00 66.70 66.66 2da1 h VAL 50 Cb -0.01 1.34 -0.05 0.00 -1.52 0.00 0.00 31.29 31.05 2da1 h VAL 50 CO -0.08 0.22 -0.22 0.40 0.02 0.00 0.00 177.57 177.90 2da1 h ILE 51 N -0.92 0.46 -0.50 4.57 2.04 -1.07 0.16 117.51 122.26 2da1 h ILE 51 Ca -0.02 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.92 2da1 h ILE 51 Cb 0.50 0.46 -0.07 0.00 -0.74 0.00 0.00 36.82 36.98 2da1 h ILE 51 CO 0.03 0.00 0.12 0.11 0.00 0.00 0.00 178.15 178.41 2da1 h LYS 52 N -0.30 0.25 0.15 2.37 1.57 -0.98 -1.65 116.57 117.99 2da1 h LYS 52 Ca 0.09 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.85 2da1 h LYS 52 Cb 0.43 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.68 2da1 h LYS 52 CO -0.27 0.17 -0.07 1.25 -0.57 0.00 0.00 179.45 179.96 2da1 h HIS 53 N 0.26 -0.18 -0.51 -1.35 2.76 -1.05 -2.13 115.15 112.95 2da1 h HIS 53 Ca 0.25 -0.00 0.10 0.00 -2.20 0.00 0.00 60.37 58.51 2da1 h HIS 53 Cb 0.32 0.06 -0.10 0.00 1.55 0.00 0.00 27.41 29.24 2da1 h HIS 53 CO -0.21 -0.07 -0.20 2.35 -1.30 0.00 0.00 177.93 178.50 2da1 h TRP 54 N -0.25 -0.48 -0.86 5.26 7.01 -0.23 0.18 115.95 126.58 2da1 h TRP 54 Ca -0.02 0.05 0.05 0.00 2.11 0.00 0.00 58.89 61.08 2da1 h TRP 54 Cb 0.19 0.29 -0.05 0.00 -2.10 0.00 0.00 29.16 27.49 2da1 h TRP 54 CO -0.05 -0.29 0.57 0.74 -2.79 0.00 0.00 178.44 176.62 2da1 h PHE 55 N -0.08 1.02 0.66 2.65 0.04 -1.18 -1.46 116.94 118.59 2da1 h PHE 55 Ca 0.24 0.03 -0.03 0.00 2.80 0.00 0.00 57.97 61.00 2da1 h PHE 55 Cb 0.45 -0.34 0.01 0.00 2.20 0.00 0.00 35.95 38.27 2da1 h PHE 55 CO -0.49 0.57 -0.32 -0.09 -0.60 0.00 0.00 178.31 177.39 2da1 h ARG 56 N 1.04 -0.85 -0.45 1.51 9.65 -0.14 0.17 114.38 125.31 2da1 h ARG 56 Ca 0.35 0.06 0.09 0.00 -1.10 0.00 0.00 59.98 59.38 2da1 h ARG 56 Cb 0.09 0.19 -0.10 0.00 -1.39 0.00 0.00 29.97 28.77 2da1 h ARG 56 CO -0.11 -0.56 -0.28 -0.97 2.80 0.00 0.00 179.97 180.85 2da1 h ASN 57 N -1.21 -0.95 0.66 -3.80 -0.73 -0.65 0.45 115.58 109.35 2da1 h ASN 57 Ca -0.09 0.19 -0.03 0.00 1.87 0.00 0.00 56.30 58.24 2da1 h ASN 57 Cb 0.69 0.47 0.01 0.00 0.27 0.00 0.00 38.32 39.76 2da1 h ASN 57 CO 0.15 -0.29 -0.32 0.74 -0.37 0.00 0.00 177.43 177.34 2da1 h THR 58 N -0.19 0.00 -0.23 -3.57 2.02 -1.32 -1.89 112.91 107.73 2da1 h THR 58 Ca 0.20 -0.12 0.03 0.00 0.77 0.00 0.00 66.41 67.29 2da1 h THR 58 Cb 0.51 0.00 -0.06 0.00 -1.74 0.00 0.00 68.15 66.86 2da1 h THR 58 CO -0.56 0.00 -0.42 0.25 0.37 0.00 0.00 175.52 175.16 2da1 h LEU 59 N -1.01 -1.39 -1.10 2.58 5.85 -0.42 0.16 115.31 119.97 2da1 h LEU 59 Ca -0.09 0.18 0.29 0.00 0.84 0.00 0.00 57.88 59.09 2da1 h LEU 59 Cb 0.68 0.56 -0.13 0.00 0.37 0.00 0.00 40.66 42.14 2da1 h LEU 59 CO 0.15 -0.33 0.62 0.15 -0.34 0.00 0.00 178.44 178.68 2da1 h PHE 60 N -0.36 0.89 -0.50 1.25 3.04 -0.19 0.41 116.94 121.48 2da1 h PHE 60 Ca 0.04 0.03 -0.11 0.00 3.98 0.00 0.00 57.97 61.92 2da1 h PHE 60 Cb 0.48 -0.25 -0.02 0.00 2.56 0.00 0.00 35.95 38.73 2da1 h PHE 60 CO -0.64 -0.03 -0.10 -0.22 -2.02 0.00 0.00 178.31 175.30 2da1 h LYS 61 N 0.44 0.96 -0.48 1.11 1.63 -0.01 -0.96 116.57 119.26 2da1 h LYS 61 Ca 0.67 -0.36 -0.07 0.00 -0.85 0.00 0.00 60.65 60.05 2da1 h LYS 61 Cb 1.51 -0.06 -0.02 0.00 -0.60 0.00 0.00 32.23 33.06 2da1 h LYS 61 CO -0.48 1.03 0.03 0.93 -3.45 0.00 0.00 179.45 177.51 2da1 h GLU 62 N 0.82 0.82 -0.33 1.90 4.39 0.23 -3.12 114.58 119.31 2da1 h GLU 62 Ca 0.13 -0.25 -0.06 0.00 0.34 0.00 0.00 59.36 59.53 2da1 h GLU 62 Cb 0.66 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.22 2da1 h GLU 62 CO 0.05 0.86 -0.01 0.00 -1.16 0.00 0.00 179.01 178.74 2da1 h ARG 63 N 0.68 0.59 -6.76 2.33 2.47 -0.92 -3.43 114.38 109.35 2da1 h ARG 63 Ca 0.14 -0.19 -0.49 0.00 -1.26 0.00 0.00 59.98 58.17 2da1 h ARG 63 Cb 0.46 -0.05 -0.01 0.00 -1.65 0.00 0.00 29.97 28.72 2da1 h ARG 63 CO 0.02 0.72 0.37 1.14 0.56 0.00 0.00 179.97 182.79 2da1 s GLN 64 N -4.95 4.81 -0.07 0.04 1.03 -0.37 -5.06 119.66 115.09 2da1 s GLN 64 Ca -0.13 1.55 -0.04 0.00 0.04 0.00 0.00 55.36 56.78 2da1 s GLN 64 Cb 0.09 -3.27 0.03 0.00 0.03 0.00 0.00 33.01 29.89 2da1 s GLN 64 CO 0.77 0.45 0.16 -1.12 -2.54 0.00 0.00 175.29 173.01 2da1 s SER 65 N -1.09 -0.14 0.47 12.60 0.01 -1.26 -4.81 113.70 119.48 2da1 s SER 65 Ca 0.42 0.33 0.02 0.00 1.31 0.00 0.00 55.95 58.03 2da1 s SER 65 Cb -0.27 0.25 -0.02 0.00 0.21 0.00 0.00 66.02 66.19 2da1 s SER 65 CO 0.34 -0.12 0.05 -0.83 0.41 0.00 0.00 173.24 173.08 2da1 s GLY 66 N 0.84 2.85 0.47 3.44 0.00 -1.26 -5.04 107.32 108.62 2da1 s GLY 66 Ca -0.06 -0.79 0.26 0.00 0.00 0.00 0.00 44.72 44.13 2da1 s GLY 66 CO -0.04 -2.07 1.90 -0.56 0.00 0.00 0.00 173.10 172.33 2da1 h PRO 67 N 1.53 0.00 -0.90 2.90 0.13 -2.06 -3.05 132.00 130.55 2da1 h PRO 67 Ca -0.41 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.70 2da1 h PRO 67 Cb 1.30 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.38 2da1 h PRO 67 CO 0.69 0.18 0.49 0.66 -0.23 0.00 0.00 178.00 179.79 2da1 h SER 68 N 0.00 1.13 -3.01 1.44 4.64 -2.05 -3.41 113.55 112.29 2da1 h SER 68 Ca -0.00 -0.11 -0.61 0.00 -0.47 0.00 0.00 61.79 60.60 2da1 h SER 68 Cb 0.63 -0.29 -0.06 0.00 -0.31 0.00 0.00 62.40 62.37 2da1 h SER 68 CO 0.02 0.91 -0.22 -0.44 -0.87 0.00 0.00 176.83 176.24 2da1 s SER 69 N -6.24 6.78 0.00 4.97 0.01 -1.15 -5.29 113.70 112.77 2da1 s SER 69 Ca -0.13 0.92 0.00 0.00 1.31 0.00 0.00 55.95 58.06 2da1 s SER 69 Cb 0.17 -2.24 0.00 0.00 0.21 0.00 0.00 66.02 64.16 2da1 s SER 69 CO 0.83 0.31 0.00 0.61 0.41 0.00 0.00 173.24 175.41