#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 6.23 0.01 1.61 0.01 -1.26 -5.00 113.70 115.30 2da1 s SER 2 Ca 0.00 -0.48 0.07 0.00 1.31 0.00 0.00 55.95 56.85 2da1 s SER 2 Cb 0.00 -2.51 -0.02 0.00 0.21 0.00 0.00 66.02 63.70 2da1 s SER 2 CO 0.00 -1.62 -0.21 -0.55 0.41 0.00 0.00 173.24 171.26 2da1 s SER 3 N 3.50 2.51 0.00 2.44 0.15 -1.26 -5.03 113.70 116.02 2da1 s SER 3 Ca 0.33 -0.45 0.00 0.00 0.70 0.00 0.00 55.95 56.53 2da1 s SER 3 Cb -0.10 -0.25 0.00 0.00 -1.71 0.00 0.00 66.02 63.96 2da1 s SER 3 CO 0.16 0.22 0.00 0.61 1.20 0.00 0.00 173.24 175.43 2da1 n GLY 4 N 2.24 0.17 3.36 9.45 0.00 -1.26 -5.12 105.19 114.02 2da1 n GLY 4 Ca -0.16 -0.33 -0.29 0.00 0.00 0.00 0.00 46.02 45.24 2da1 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2da1 s SER 5 N -4.00 -0.33 -0.29 1.61 1.04 -1.26 -5.07 113.70 105.41 2da1 s SER 5 Ca 0.00 1.22 -0.23 0.00 0.48 0.00 0.00 55.95 57.41 2da1 s SER 5 Cb 0.00 -1.83 0.17 0.00 0.10 0.00 0.00 66.02 64.46 2da1 s SER 5 CO 0.00 -4.96 1.26 -0.94 0.98 0.00 0.00 173.24 169.57 2da1 s SER 6 N -2.70 -0.21 0.00 7.02 1.04 -1.26 -5.15 113.70 112.44 2da1 s SER 6 Ca 0.69 0.40 0.00 0.00 0.48 0.00 0.00 55.95 57.51 2da1 s SER 6 Cb -0.20 0.54 0.00 0.00 0.10 0.00 0.00 66.02 66.46 2da1 s SER 6 CO 0.62 -0.07 0.00 0.61 0.98 0.00 0.00 173.24 175.38 2da1 n GLY 7 N 2.14 1.37 3.60 7.32 0.00 -1.26 -5.13 105.19 113.23 2da1 n GLY 7 Ca -0.12 -1.16 -0.25 0.00 0.00 0.00 0.00 46.02 44.48 2da1 n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2da1 s LYS 8 N -2.78 1.97 -0.01 1.61 1.02 -1.26 -5.15 119.74 115.14 2da1 s LYS 8 Ca 0.00 -1.87 0.06 0.00 0.02 0.00 0.00 55.97 54.18 2da1 s LYS 8 Cb 0.00 -1.81 -0.01 0.00 -0.52 0.00 0.00 37.83 35.48 2da1 s LYS 8 CO 0.00 0.10 -0.19 0.50 -0.92 0.00 0.00 175.35 174.85 2da1 s ARG 9 N -3.68 1.53 -0.95 1.68 3.52 -1.26 -5.07 118.95 114.72 2da1 s ARG 9 Ca 0.34 -0.67 -0.24 0.00 -0.13 0.00 0.00 55.73 55.03 2da1 s ARG 9 Cb 0.02 -1.48 -0.05 0.00 -1.56 0.00 0.00 34.95 31.88 2da1 s ARG 9 CO 0.18 0.41 1.94 -1.25 -0.81 0.00 0.00 175.30 175.77 2da1 s PRO 10 N -0.44 2.55 0.55 5.12 0.04 -1.26 -4.96 135.00 136.59 2da1 s PRO 10 Ca 0.07 -0.43 -0.17 0.00 0.04 0.00 0.00 61.00 60.51 2da1 s PRO 10 Cb -0.07 -5.09 -0.06 0.00 0.04 0.00 0.00 34.50 29.32 2da1 s PRO 10 CO -0.01 -3.47 1.04 0.50 0.04 0.00 0.00 177.00 175.09 2da1 s ARG 11 N 6.92 3.58 0.06 4.56 3.52 -1.26 -5.07 118.95 131.26 2da1 s ARG 11 Ca 0.70 1.20 0.01 0.00 -0.13 0.00 0.00 55.73 57.50 2da1 s ARG 11 Cb -0.06 -2.07 -0.03 0.00 -1.56 0.00 0.00 34.95 31.23 2da1 s ARG 11 CO 0.01 -0.59 -0.06 0.95 -0.81 0.00 0.00 175.30 174.81 2da1 s THR 12 N -2.36 0.47 -0.30 4.11 -4.23 -1.26 -5.15 115.64 106.92 2da1 s THR 12 Ca 0.64 -1.59 -0.13 0.00 -1.18 0.00 0.00 61.69 59.43 2da1 s THR 12 Cb -0.15 -1.23 0.14 0.00 1.34 0.00 0.00 72.50 72.60 2da1 s THR 12 CO 0.31 -0.75 0.81 -0.60 -0.54 0.00 0.00 174.62 173.85 2da1 s ARG 13 N -3.05 0.48 0.26 3.99 3.52 -1.26 -5.15 118.95 117.74 2da1 s ARG 13 Ca 0.02 1.08 -0.29 0.00 -0.13 0.00 0.00 55.73 56.41 2da1 s ARG 13 Cb 0.01 0.52 -0.09 0.00 -1.56 0.00 0.00 34.95 33.82 2da1 s ARG 13 CO -0.04 -0.14 1.25 0.42 -0.81 0.00 0.00 175.30 175.98 2da1 s ILE 14 N 2.35 3.12 0.44 4.11 1.01 -1.26 -5.04 121.20 125.93 2da1 s ILE 14 Ca -0.06 1.03 0.01 0.00 0.00 0.00 0.00 60.65 61.63 2da1 s ILE 14 Cb -0.08 -3.66 0.08 0.00 0.01 0.00 0.00 42.46 38.82 2da1 s ILE 14 CO -0.18 0.21 0.60 0.35 0.00 0.00 0.00 174.94 175.92 2da1 n THR 15 N 1.66 0.00 0.13 2.92 -2.24 -1.26 -4.93 114.28 110.56 2da1 n THR 15 Ca 0.02 -1.05 -0.22 0.00 -2.27 0.00 0.00 64.05 60.54 2da1 n THR 15 Cb 0.43 -0.99 -0.15 0.00 -2.10 0.00 0.00 70.33 67.52 2da1 n THR 15 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 2da1 h ASP 16 N -0.28 0.74 0.80 3.42 5.19 -1.99 -1.80 116.42 122.50 2da1 h ASP 16 Ca -0.20 -0.78 -0.02 0.00 -0.62 0.00 0.00 57.03 55.41 2da1 h ASP 16 Cb 0.78 -0.24 -0.00 0.00 0.18 0.00 0.00 39.33 40.04 2da1 h ASP 16 CO 0.23 1.60 -0.11 0.44 -3.12 0.00 0.00 179.24 178.28 2da1 h ASP 17 N 0.14 0.00 0.07 6.45 5.19 -2.01 -2.66 116.42 123.60 2da1 h ASP 17 Ca -0.22 0.00 -0.30 0.00 -0.62 0.00 0.00 57.03 55.89 2da1 h ASP 17 Cb 2.09 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 41.58 2da1 h ASP 17 CO 0.25 0.11 -1.65 0.00 -3.12 0.00 0.00 179.24 174.84 2da1 n GLN 18 N -3.31 0.67 0.02 3.56 6.02 -1.23 -4.23 117.38 118.88 2da1 n GLN 18 Ca -0.00 0.42 -0.10 0.00 -0.01 0.00 0.00 57.00 57.30 2da1 n GLN 18 Cb 0.33 -1.73 -0.04 0.00 1.02 0.00 0.00 30.24 29.82 2da1 n GLN 18 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 2da1 h LEU 19 N -0.45 -0.51 -0.95 1.08 5.85 -1.29 -2.23 115.31 116.81 2da1 h LEU 19 Ca -0.39 0.08 0.24 0.00 0.84 0.00 0.00 57.88 58.65 2da1 h LEU 19 Cb 1.68 0.23 -0.18 0.00 0.37 0.00 0.00 40.66 42.77 2da1 h LEU 19 CO -0.06 -0.22 -0.04 0.08 -0.34 0.00 0.00 178.44 177.86 2da1 h ARG 20 N -0.23 0.02 -0.88 1.25 0.11 -1.67 0.86 114.38 113.84 2da1 h ARG 20 Ca 0.08 -0.00 0.11 0.00 0.10 0.00 0.00 59.98 60.27 2da1 h ARG 20 Cb 0.35 -0.01 -0.08 0.00 1.11 0.00 0.00 29.97 31.34 2da1 h ARG 20 CO -0.22 0.02 0.51 0.28 0.10 0.00 0.00 179.97 180.65 2da1 h VAL 21 N 0.02 0.87 0.00 0.08 2.07 -1.57 0.21 116.25 117.93 2da1 h VAL 21 Ca 0.54 -0.28 -0.10 0.00 0.82 0.00 0.00 66.70 67.68 2da1 h VAL 21 Cb 1.03 -0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.78 2da1 h VAL 21 CO -0.90 0.15 -0.49 -0.07 0.02 0.00 0.00 177.57 176.28 2da1 h LEU 22 N 0.80 0.00 -0.02 2.57 3.38 0.70 -3.19 115.31 119.56 2da1 h LEU 22 Ca 0.44 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.31 2da1 h LEU 22 Cb 0.47 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.22 2da1 h LEU 22 CO -0.28 0.49 -0.36 0.03 0.09 0.00 0.00 178.44 178.40 2da1 h ARG 23 N 0.00 0.28 -0.68 1.13 2.47 0.88 -2.82 114.38 115.65 2da1 h ARG 23 Ca -0.00 -0.28 0.14 0.00 -1.26 0.00 0.00 59.98 58.57 2da1 h ARG 23 Cb 1.02 0.07 -0.10 0.00 -1.65 0.00 0.00 29.97 29.31 2da1 h ARG 23 CO 0.06 0.96 0.16 1.96 0.56 0.00 0.00 179.97 183.68 2da1 h GLN 24 N -0.29 0.27 -0.02 0.04 4.20 -0.69 0.14 115.11 118.75 2da1 h GLN 24 Ca -0.04 -0.02 -0.10 0.00 0.06 0.00 0.00 58.65 58.56 2da1 h GLN 24 Cb 1.08 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.78 2da1 h GLN 24 CO 0.07 0.18 -0.44 1.88 -0.67 0.00 0.00 178.83 179.85 2da1 h TYR 25 N 0.28 0.06 0.21 2.96 0.05 -1.62 -3.23 116.97 115.67 2da1 h TYR 25 Ca 0.37 -0.02 0.01 0.00 0.05 0.00 0.00 58.73 59.14 2da1 h TYR 25 Cb 0.59 -0.01 -0.04 0.00 1.01 0.00 0.00 36.73 38.27 2da1 h TYR 25 CO -0.25 0.49 -0.47 0.35 -1.05 0.00 0.00 178.16 177.22 2da1 h PHE 26 N 0.04 -1.34 -0.64 4.88 3.57 -0.45 0.59 116.94 123.59 2da1 h PHE 26 Ca 0.00 0.03 0.12 0.00 3.53 0.00 0.00 57.97 61.65 2da1 h PHE 26 Cb 0.80 0.56 -0.09 0.00 2.79 0.00 0.00 35.95 40.01 2da1 h PHE 26 CO 0.00 -0.58 0.13 0.22 -2.23 0.00 0.00 178.31 175.86 2da1 h ASP 27 N -0.77 -0.01 -0.76 0.41 1.82 -1.53 0.34 116.42 115.94 2da1 h ASP 27 Ca -0.01 0.12 0.01 0.00 -0.39 0.00 0.00 57.03 56.77 2da1 h ASP 27 Cb 0.75 0.17 -0.04 0.00 0.68 0.00 0.00 39.33 40.89 2da1 h ASP 27 CO -0.22 -0.01 0.50 0.40 -1.61 0.00 0.00 179.24 178.31 2da1 h ILE 28 N 0.26 1.19 -2.19 2.25 2.04 -1.45 -3.43 117.51 116.19 2da1 h ILE 28 Ca 0.34 -0.35 -0.02 0.00 1.00 0.00 0.00 64.86 65.83 2da1 h ILE 28 Cb 0.53 0.08 -0.23 0.00 -0.74 0.00 0.00 36.82 36.46 2da1 h ILE 28 CO -0.44 0.19 -0.06 0.54 0.00 0.00 0.00 178.15 178.38 2da1 s ASN 29 N -6.35 -0.81 0.00 1.72 4.22 0.14 -5.08 114.94 108.78 2da1 s ASN 29 Ca -0.11 1.34 0.00 0.00 -2.14 0.00 0.00 52.86 51.95 2da1 s ASN 29 Cb 0.18 1.22 0.00 0.00 1.28 0.00 0.00 41.25 43.93 2da1 s ASN 29 CO 0.78 -0.23 0.87 0.59 -2.04 0.00 0.00 177.10 177.08 2da1 n ASN 30 N 4.17 0.00 -4.49 3.54 5.03 -1.16 -4.02 115.26 118.33 2da1 n ASN 30 Ca -0.20 0.87 -0.32 0.00 0.87 0.00 0.00 54.58 55.80 2da1 n ASN 30 Cb 0.58 -0.42 -0.13 0.00 -1.02 0.00 0.00 39.78 38.79 2da1 n ASN 30 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 2da1 s SER 31 N -2.98 4.03 0.87 6.41 0.15 -1.26 -4.72 113.70 116.20 2da1 s SER 31 Ca 0.00 -0.26 -0.11 0.00 0.70 0.00 0.00 55.95 56.28 2da1 s SER 31 Cb 0.00 -0.80 0.11 0.00 -1.71 0.00 0.00 66.02 63.62 2da1 s SER 31 CO 0.00 0.31 1.09 -2.16 1.20 0.00 0.00 173.24 173.68 2da1 s PRO 32 N -1.04 1.50 0.17 5.44 0.04 -1.26 -5.07 135.00 134.78 2da1 s PRO 32 Ca 0.13 0.90 0.07 0.00 0.04 0.00 0.00 61.00 62.15 2da1 s PRO 32 Cb -0.11 -1.83 -0.04 0.00 0.04 0.00 0.00 34.50 32.56 2da1 s PRO 32 CO 0.03 -2.10 0.00 -1.54 0.04 0.00 0.00 177.00 173.44 2da1 s SER 33 N -3.42 4.80 0.54 6.66 1.04 -1.26 -4.82 113.70 117.25 2da1 s SER 33 Ca 0.63 -0.38 0.32 0.00 0.48 0.00 0.00 55.95 57.00 2da1 s SER 33 Cb -0.18 -1.03 1.11 0.00 0.10 0.00 0.00 66.02 66.02 2da1 s SER 33 CO 0.57 0.09 1.28 -0.62 0.98 0.00 0.00 173.24 175.54 2da1 n GLU 34 N -0.11 0.01 0.03 4.02 1.02 -1.26 0.23 120.64 124.58 2da1 n GLU 34 Ca -0.10 0.96 -0.19 0.00 -0.02 0.00 0.00 57.16 57.82 2da1 n GLU 34 Cb 0.55 -2.33 -0.12 0.00 -0.02 0.00 0.00 31.44 29.52 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 0.43 0.04 3.49 5.08 -2.00 -3.19 114.58 118.43 2da1 h GLU 35 Ca 0.60 -0.53 -0.12 0.00 -1.00 0.00 0.00 59.36 58.32 2da1 h GLU 35 Cb 2.99 0.17 0.01 0.00 0.50 0.00 0.00 28.75 32.42 2da1 h GLU 35 CO -0.01 1.19 -0.49 1.96 -1.00 0.00 0.00 179.01 180.66 2da1 h GLN 36 N -0.09 0.26 -0.55 2.33 4.20 0.26 -2.23 115.11 119.28 2da1 h GLN 36 Ca -0.11 -0.33 0.16 0.00 0.06 0.00 0.00 58.65 58.43 2da1 h GLN 36 Cb 1.49 0.11 -0.02 0.00 0.30 0.00 0.00 27.48 29.36 2da1 h GLN 36 CO 0.15 1.08 0.54 0.82 -0.67 0.00 0.00 178.83 180.74 2da1 h ILE 37 N -0.41 0.39 0.03 2.54 2.04 -0.65 0.16 117.51 121.61 2da1 h ILE 37 Ca -0.07 0.00 -0.26 0.00 1.00 0.00 0.00 64.86 65.53 2da1 h ILE 37 Cb 1.28 0.59 -0.03 0.00 -0.74 0.00 0.00 36.82 37.92 2da1 h ILE 37 CO 0.09 0.00 -1.40 0.50 0.00 0.00 0.00 178.15 177.34 2da1 h LYS 38 N 0.00 0.06 -0.47 2.37 1.63 -1.57 -2.98 116.57 115.60 2da1 h LYS 38 Ca 0.26 -0.10 0.07 0.00 -0.85 0.00 0.00 60.65 60.04 2da1 h LYS 38 Cb 1.33 0.04 -0.03 0.00 -0.60 0.00 0.00 32.23 32.97 2da1 h LYS 38 CO -0.00 1.05 0.32 1.05 -3.45 0.00 0.00 179.45 178.41 2da1 h GLU 39 N -0.78 0.32 0.05 1.90 4.11 -0.65 -2.50 114.58 117.02 2da1 h GLU 39 Ca -0.36 -0.02 -0.07 0.00 0.07 0.00 0.00 59.36 58.98 2da1 h GLU 39 Cb 1.45 -0.07 0.01 0.00 0.50 0.00 0.00 28.75 30.64 2da1 h GLU 39 CO -0.15 0.21 -0.30 0.52 0.07 0.00 0.00 179.01 179.36 2da1 h MET 40 N 0.33 0.12 -0.91 1.06 2.86 -0.89 -2.65 114.93 114.84 2da1 h MET 40 Ca 0.21 -0.19 0.26 0.00 -2.06 0.00 0.00 59.70 57.92 2da1 h MET 40 Cb 0.41 0.07 -0.04 0.00 0.06 0.00 0.00 31.60 32.11 2da1 h MET 40 CO -0.05 1.08 0.79 0.00 1.06 0.00 0.00 176.91 179.79 2da1 h ALA 41 N 0.05 2.77 0.03 6.32 0.00 -1.29 0.50 119.26 127.64 2da1 h ALA 41 Ca -0.05 -0.03 -0.32 0.00 0.00 0.00 0.00 54.91 54.51 2da1 h ALA 41 Cb 1.22 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 19.04 2da1 h ALA 41 CO 0.06 -1.26 -1.87 -3.47 0.00 0.00 0.00 179.25 172.71 2da1 n ASP 42 N -3.86 1.12 -0.09 0.00 -0.08 -1.02 -1.16 116.55 111.47 2da1 n ASP 42 Ca 0.19 0.31 -0.12 0.00 -1.51 0.00 0.00 54.79 53.66 2da1 n ASP 42 Cb 1.10 -0.16 -0.05 0.00 2.34 0.00 0.00 41.12 44.35 2da1 n ASP 42 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 2da1 h LYS 43 N 0.02 0.58 0.02 -0.67 1.57 0.21 -3.31 116.57 114.98 2da1 h LYS 43 Ca -0.35 -0.27 -0.34 0.00 -1.87 0.00 0.00 60.65 57.82 2da1 h LYS 43 Cb 2.04 -0.01 -0.05 0.00 0.08 0.00 0.00 32.23 34.29 2da1 h LYS 43 CO 0.07 0.85 -2.05 -1.13 -0.57 0.00 0.00 179.45 176.61 2da1 n SER 44 N -4.42 0.96 0.00 0.86 3.41 0.60 -5.00 113.62 110.04 2da1 n SER 44 Ca -0.04 0.19 0.00 0.00 -0.26 0.00 0.00 58.87 58.76 2da1 n SER 44 Cb 0.39 0.07 0.00 0.00 -0.26 0.00 0.00 64.21 64.41 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 1.77 1.83 3.78 5.00 0.00 -0.30 -5.03 105.19 112.23 2da1 n GLY 45 Ca -0.28 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.40 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 3.59 0.00 0.99 1.43 -1.07 -4.85 118.68 118.77 2da1 s LEU 46 Ca 0.00 2.06 -0.08 0.00 -1.03 0.00 0.00 54.13 55.08 2da1 s LEU 46 Cb 0.00 -4.56 0.11 0.00 0.03 0.00 0.00 46.19 41.77 2da1 s LEU 46 CO 0.00 -1.34 0.40 -0.81 0.23 0.00 0.00 176.35 174.83 2da1 n PRO 47 N -1.78 -1.81 0.04 1.29 -0.04 -1.26 -4.07 135.00 127.37 2da1 n PRO 47 Ca 0.11 -0.65 -0.20 0.00 -0.04 0.00 0.00 63.50 62.72 2da1 n PRO 47 Cb 0.52 -0.61 -0.14 0.00 -0.04 0.00 0.00 33.50 33.23 2da1 n PRO 47 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 2da1 h GLN 48 N 0.00 0.29 -0.39 0.54 4.20 -1.95 -3.25 115.11 114.55 2da1 h GLN 48 Ca -0.15 -0.50 -0.01 0.00 0.06 0.00 0.00 58.65 58.05 2da1 h GLN 48 Cb 0.46 0.18 -0.02 0.00 0.30 0.00 0.00 27.48 28.41 2da1 h GLN 48 CO 0.10 1.18 0.20 1.57 -0.67 0.00 0.00 178.83 181.21 2da1 h LYS 49 N 0.08 0.55 0.60 1.46 2.10 -1.96 -0.23 116.57 119.18 2da1 h LYS 49 Ca -0.36 -0.07 -0.03 0.00 -2.00 0.00 0.00 60.65 58.19 2da1 h LYS 49 Cb 2.06 -0.10 0.01 0.00 -0.90 0.00 0.00 32.23 33.29 2da1 h LYS 49 CO 0.13 0.47 -0.29 0.28 -2.00 0.00 0.00 179.45 178.05 2da1 h VAL 50 N 0.49 0.41 -0.78 0.07 2.07 -1.96 -0.03 116.25 116.52 2da1 h VAL 50 Ca 0.14 -0.02 0.08 0.00 0.82 0.00 0.00 66.70 67.71 2da1 h VAL 50 Cb 0.09 0.42 -0.06 0.00 -1.52 0.00 0.00 31.29 30.21 2da1 h VAL 50 CO -0.02 0.00 0.46 0.40 0.02 0.00 0.00 177.57 178.43 2da1 h ILE 51 N -0.82 0.96 -0.03 4.57 2.04 -1.58 -0.23 117.51 122.43 2da1 h ILE 51 Ca -0.08 -0.28 -0.00 0.00 1.00 0.00 0.00 64.86 65.50 2da1 h ILE 51 Cb 0.62 0.09 -0.00 0.00 -0.74 0.00 0.00 36.82 36.79 2da1 h ILE 51 CO 0.14 0.15 0.02 0.11 0.00 0.00 0.00 178.15 178.56 2da1 h LYS 52 N 0.80 0.05 -0.48 2.37 1.57 -0.86 -1.61 116.57 118.42 2da1 h LYS 52 Ca 0.36 -0.00 0.01 0.00 -1.87 0.00 0.00 60.65 59.15 2da1 h LYS 52 Cb 0.26 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.53 2da1 h LYS 52 CO -0.21 0.09 0.30 0.45 -0.57 0.00 0.00 179.45 179.51 2da1 h HIS 53 N -0.01 0.57 0.11 -1.35 3.86 -0.49 -1.43 115.15 116.41 2da1 h HIS 53 Ca 0.01 0.02 0.02 0.00 -1.16 0.00 0.00 60.37 59.25 2da1 h HIS 53 Cb 0.06 -0.19 -0.03 0.00 1.06 0.00 0.00 27.41 28.31 2da1 h HIS 53 CO -0.06 0.34 -0.21 2.35 0.86 0.00 0.00 177.93 181.21 2da1 h TRP 54 N 0.61 -0.55 -0.59 2.45 7.01 -0.87 0.19 115.95 124.19 2da1 h TRP 54 Ca 0.19 0.01 0.06 0.00 2.11 0.00 0.00 58.89 61.26 2da1 h TRP 54 Cb -0.02 0.23 -0.04 0.00 -2.10 0.00 0.00 29.16 27.23 2da1 h TRP 54 CO -0.06 -0.30 0.39 0.74 -2.79 0.00 0.00 178.44 176.42 2da1 h PHE 55 N -0.40 0.57 0.29 2.65 0.04 -1.10 -0.79 116.94 118.20 2da1 h PHE 55 Ca 0.03 0.01 -0.01 0.00 2.80 0.00 0.00 57.97 60.80 2da1 h PHE 55 Cb 0.42 -0.19 0.00 0.00 2.20 0.00 0.00 35.95 38.38 2da1 h PHE 55 CO -0.20 0.30 -0.14 -0.09 -0.60 0.00 0.00 178.31 177.59 2da1 h ARG 56 N 0.56 -0.37 -0.99 1.51 9.65 -0.42 0.46 114.38 124.78 2da1 h ARG 56 Ca 0.26 0.03 0.14 0.00 -1.10 0.00 0.00 59.98 59.30 2da1 h ARG 56 Cb 0.29 0.08 -0.09 0.00 -1.39 0.00 0.00 29.97 28.86 2da1 h ARG 56 CO -0.07 -0.03 0.62 -0.97 2.80 0.00 0.00 179.97 182.31 2da1 h ASN 57 N -0.90 0.88 0.02 -3.80 -1.24 -0.38 0.83 115.58 110.99 2da1 h ASN 57 Ca -0.04 0.06 -0.09 0.00 0.71 0.00 0.00 56.30 56.94 2da1 h ASN 57 Cb 0.51 -0.11 0.01 0.00 0.73 0.00 0.00 38.32 39.46 2da1 h ASN 57 CO 0.06 0.43 -0.39 0.74 -1.29 0.00 0.00 177.43 176.99 2da1 h THR 58 N 0.93 1.55 0.47 -3.57 2.02 -1.18 -3.25 112.91 109.88 2da1 h THR 58 Ca 0.51 -2.13 -0.02 0.00 0.77 0.00 0.00 66.41 65.54 2da1 h THR 58 Cb 0.58 2.89 0.00 0.00 -1.74 0.00 0.00 68.15 69.88 2da1 h THR 58 CO -0.29 0.59 -0.23 0.25 0.37 0.00 0.00 175.52 176.21 2da1 h LEU 59 N -0.47 -0.53 -0.77 2.58 6.46 0.44 0.32 115.31 123.34 2da1 h LEU 59 Ca -0.06 0.02 0.24 0.00 -0.12 0.00 0.00 57.88 57.97 2da1 h LEU 59 Cb 1.18 0.14 -0.14 0.00 -0.73 0.00 0.00 40.66 41.10 2da1 h LEU 59 CO 0.07 -0.29 0.13 0.33 -0.62 0.00 0.00 178.44 178.06 2da1 n PHE 60 N -4.19 0.61 -0.03 1.25 7.35 0.28 0.57 117.46 123.31 2da1 n PHE 60 Ca -0.08 0.92 -0.16 0.00 -0.76 0.00 0.00 57.45 57.37 2da1 n PHE 60 Cb 0.25 -1.15 -0.13 0.00 0.35 0.00 0.00 39.48 38.80 2da1 n PHE 60 CO 0.00 0.00 0.00 0.87 -0.76 0.00 0.00 176.76 176.87 2da1 h LYS 61 N 0.00 0.11 -0.06 -4.13 6.56 -1.58 -3.24 116.57 114.24 2da1 h LYS 61 Ca 0.52 -0.17 0.02 0.00 -1.06 0.00 0.00 60.65 59.96 2da1 h LYS 61 Cb 1.18 0.06 -0.00 0.00 -0.57 0.00 0.00 32.23 32.90 2da1 h LYS 61 CO -0.68 1.02 0.31 0.93 -2.06 0.00 0.00 179.45 178.97 2da1 h GLU 62 N -0.72 0.00 0.05 3.15 4.39 0.41 0.32 114.58 122.18 2da1 h GLU 62 Ca -0.04 0.00 -0.24 0.00 0.34 0.00 0.00 59.36 59.41 2da1 h GLU 62 Cb 1.14 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.77 2da1 h GLU 62 CO 0.05 0.00 -1.18 0.00 -1.16 0.00 0.00 179.01 176.72 2da1 h ARG 63 N 0.00 0.10 -5.58 2.33 2.47 -0.39 -3.45 114.38 109.85 2da1 h ARG 63 Ca 0.03 -0.17 -0.65 0.00 -1.26 0.00 0.00 59.98 57.93 2da1 h ARG 63 Cb 0.65 0.06 -0.11 0.00 -1.65 0.00 0.00 29.97 28.92 2da1 h ARG 63 CO -0.00 1.03 -0.52 1.14 0.56 0.00 0.00 179.97 182.18 2da1 s GLN 64 N -2.68 3.57 -0.17 0.04 -2.07 0.11 -5.09 119.66 113.37 2da1 s GLN 64 Ca -0.02 -0.22 -0.01 0.00 -1.82 0.00 0.00 55.36 53.29 2da1 s GLN 64 Cb 0.09 -3.16 -0.00 0.00 -1.09 0.00 0.00 33.01 28.84 2da1 s GLN 64 CO 0.84 0.61 -0.13 0.45 -1.32 0.00 0.00 175.29 175.74 2da1 s SER 65 N -0.57 3.79 -0.33 12.60 0.15 -1.26 -4.86 113.70 123.22 2da1 s SER 65 Ca 0.12 -0.45 -0.09 0.00 0.70 0.00 0.00 55.95 56.23 2da1 s SER 65 Cb -0.12 -1.60 0.21 0.00 -1.71 0.00 0.00 66.02 62.80 2da1 s SER 65 CO 0.02 0.07 1.11 -0.83 1.20 0.00 0.00 173.24 174.81 2da1 s GLY 66 N 0.92 -1.83 -0.38 9.45 0.00 -1.26 -5.12 107.32 109.09 2da1 s GLY 66 Ca -0.03 0.90 -0.28 0.00 0.00 0.00 0.00 44.72 45.31 2da1 s GLY 66 CO -0.01 4.36 1.72 2.56 0.00 0.00 0.00 173.10 181.72 2da1 s PRO 67 N 1.33 3.32 -0.47 2.90 0.04 -1.26 -4.97 135.00 135.88 2da1 s PRO 67 Ca 0.20 1.23 -0.16 0.00 0.04 0.00 0.00 61.00 62.32 2da1 s PRO 67 Cb 0.10 -4.18 0.07 0.00 0.04 0.00 0.00 34.50 30.54 2da1 s PRO 67 CO -0.13 -1.88 0.41 0.45 0.04 0.00 0.00 177.00 175.89 2da1 s SER 68 N 5.80 6.15 -0.15 6.66 0.15 -1.26 -4.93 113.70 126.12 2da1 s SER 68 Ca 0.74 -1.31 -0.23 0.00 0.70 0.00 0.00 55.95 55.85 2da1 s SER 68 Cb -0.19 -2.19 -0.21 0.00 -1.71 0.00 0.00 66.02 61.72 2da1 s SER 68 CO 0.32 -0.66 0.50 -1.28 1.20 0.00 0.00 173.24 173.32 2da1 h SER 69 N 8.77 0.00 0.00 5.45 0.87 -2.09 -3.58 113.55 122.97 2da1 h SER 69 Ca -0.28 -0.72 0.00 0.00 -1.23 0.00 0.00 61.79 59.55 2da1 h SER 69 Cb 1.11 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.07 2da1 h SER 69 CO 0.88 1.07 0.00 0.61 -0.53 0.00 0.00 176.83 178.87