#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dzm s SER 2 N 0.00 -0.68 -1.35 1.61 0.15 -1.26 -4.94 113.70 107.23 2dzm s SER 2 Ca 0.00 0.91 -0.14 0.00 0.70 0.00 0.00 55.95 57.42 2dzm s SER 2 Cb 0.00 0.78 0.14 0.00 -1.71 0.00 0.00 66.02 65.23 2dzm s SER 2 CO 0.00 -0.51 0.34 -0.24 1.20 0.00 0.00 173.24 174.03 2dzm n SER 3 N 1.38 -0.87 -1.85 5.45 2.88 -1.26 -3.04 113.62 116.31 2dzm n SER 3 Ca -0.18 -0.94 -0.00 0.00 -1.33 0.00 0.00 58.87 56.42 2dzm n SER 3 Cb 0.56 -1.19 -0.00 0.00 -0.75 0.00 0.00 64.21 62.83 2dzm n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dzm n GLY 4 N -1.22 -3.37 3.61 0.46 0.00 -1.26 -5.00 105.19 98.41 2dzm n GLY 4 Ca 0.01 0.05 -0.40 0.00 0.00 0.00 0.00 46.02 45.68 2dzm n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dzm s SER 5 N -0.40 6.34 0.00 1.61 0.01 -1.17 -4.89 113.70 115.21 2dzm s SER 5 Ca -0.02 0.38 0.00 0.00 1.31 0.00 0.00 55.95 57.62 2dzm s SER 5 Cb 0.00 -2.25 0.00 0.00 0.21 0.00 0.00 66.02 63.98 2dzm s SER 5 CO 0.23 -0.25 0.00 -1.20 0.41 0.00 0.00 173.24 172.43 2dzm n SER 6 N 5.45 1.91 -4.70 2.44 7.64 -1.26 -4.98 113.62 120.12 2dzm n SER 6 Ca -0.06 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.40 2dzm n SER 6 Cb 0.50 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.67 2dzm n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2dzm s GLY 7 N -4.42 1.47 0.40 0.23 0.00 -1.26 -4.94 107.32 98.80 2dzm s GLY 7 Ca 0.00 1.37 -0.27 0.00 0.00 0.00 0.00 44.72 45.82 2dzm s GLY 7 CO 0.00 2.85 1.38 1.09 0.00 0.00 0.00 173.10 178.41 2dzm s ARG 8 N 1.93 3.96 0.18 2.90 1.70 -1.26 -4.62 118.95 123.74 2dzm s ARG 8 Ca 0.74 2.32 -0.30 0.00 -0.47 0.00 0.00 55.73 58.02 2dzm s ARG 8 Cb -0.44 -2.81 -0.08 0.00 -0.57 0.00 0.00 34.95 31.06 2dzm s ARG 8 CO 0.33 -0.56 1.18 -1.64 -1.08 0.00 0.00 175.30 173.53 2dzm s MET 9 N -2.22 4.51 -0.15 3.89 -1.94 -1.26 -3.38 119.30 118.75 2dzm s MET 9 Ca 0.56 1.85 -0.02 0.00 -1.71 0.00 0.00 55.69 56.37 2dzm s MET 9 Cb -0.42 -3.25 -0.02 0.00 2.01 0.00 0.00 34.83 33.16 2dzm s MET 9 CO 0.54 -0.07 -0.09 -0.51 -0.01 0.00 0.00 175.02 174.89 2dzm s LEU 10 N -0.24 2.92 -0.82 -0.03 1.43 -1.10 -4.93 118.68 115.92 2dzm s LEU 10 Ca 0.52 -0.27 -0.23 0.00 -1.03 0.00 0.00 54.13 53.13 2dzm s LEU 10 Cb -0.32 -1.68 0.07 0.00 0.03 0.00 0.00 46.19 44.28 2dzm s LEU 10 CO 0.36 0.15 1.20 -0.62 0.23 0.00 0.00 176.35 177.67 2dzm s ASP 11 N 0.47 6.33 -0.46 2.29 -1.08 -1.22 -3.08 116.67 119.93 2dzm s ASP 11 Ca -0.07 -1.14 -0.18 0.00 -0.52 0.00 0.00 52.55 50.64 2dzm s ASP 11 Cb -0.15 -2.49 0.04 0.00 -1.46 0.00 0.00 42.92 38.86 2dzm s ASP 11 CO 0.04 -1.50 0.52 -0.36 0.52 0.00 0.00 175.17 174.38 2dzm s PHE 12 N 4.50 3.13 -0.53 -5.34 0.40 0.89 -1.12 117.98 119.91 2dzm s PHE 12 Ca 0.33 -0.45 -0.21 0.00 -0.60 0.00 0.00 56.93 56.01 2dzm s PHE 12 Cb -0.08 -3.18 0.06 0.00 0.51 0.00 0.00 43.02 40.32 2dzm s PHE 12 CO 0.03 -0.84 0.74 0.50 0.70 0.00 0.00 175.22 176.35 2dzm s ARG 13 N 2.32 3.18 -0.31 0.44 3.52 -0.58 -0.18 118.95 127.35 2dzm s ARG 13 Ca 0.13 -0.72 -0.17 0.00 -0.13 0.00 0.00 55.73 54.84 2dzm s ARG 13 Cb -0.18 -4.10 -0.02 0.00 -1.56 0.00 0.00 34.95 29.09 2dzm s ARG 13 CO 0.13 -1.34 0.47 0.08 -0.81 0.00 0.00 175.30 173.84 2dzm s VAL 14 N 3.09 5.07 -0.53 7.11 1.01 -0.54 -0.51 120.40 135.11 2dzm s VAL 14 Ca 0.20 0.51 -0.20 0.00 0.00 0.00 0.00 61.98 62.49 2dzm s VAL 14 Cb -0.17 -3.86 0.06 0.00 0.00 0.00 0.00 36.38 32.40 2dzm s VAL 14 CO 0.14 -0.05 0.72 -0.70 0.00 0.00 0.00 175.10 175.21 2dzm s GLU 15 N 2.28 3.17 0.18 2.72 2.12 0.18 -1.62 118.70 127.72 2dzm s GLU 15 Ca 0.18 -0.77 0.08 0.00 0.36 0.00 0.00 54.97 54.82 2dzm s GLU 15 Cb -0.16 -4.10 -0.04 0.00 0.26 0.00 0.00 34.13 30.09 2dzm s GLU 15 CO 0.11 -1.33 -0.04 -0.47 -0.54 0.00 0.00 175.26 173.00 2dzm s TYR 16 N 3.00 2.76 0.12 5.30 5.04 -1.03 -3.23 117.35 129.31 2dzm s TYR 16 Ca 0.19 -0.17 -0.22 0.00 -2.44 0.00 0.00 57.07 54.43 2dzm s TYR 16 Cb -0.18 -1.34 -0.03 0.00 0.35 0.00 0.00 41.96 40.76 2dzm s TYR 16 CO 0.13 0.52 1.11 0.54 -1.34 0.00 0.00 175.55 176.51 2dzm n ARG 17 N -0.06 -0.30 -0.00 4.97 1.74 -1.26 -0.56 116.66 121.18 2dzm n ARG 17 Ca -0.10 1.09 -0.10 0.00 -0.77 0.00 0.00 57.85 57.97 2dzm n ARG 17 Cb 0.55 -1.60 -0.07 0.00 -1.02 0.00 0.00 32.46 30.33 2dzm n ARG 17 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 2dzm h ASP 18 N 0.00 -1.15 -5.75 0.55 3.32 -1.99 -3.47 116.42 107.93 2dzm h ASP 18 Ca 0.13 0.13 0.31 0.00 0.02 0.00 0.00 57.03 57.62 2dzm h ASP 18 Cb 0.31 0.44 -0.09 0.00 0.22 0.00 0.00 39.33 40.21 2dzm h ASP 18 CO -0.68 -0.33 0.82 0.00 -1.72 0.00 0.00 179.24 177.34 2dzm s ARG 19 N -4.80 0.51 -0.00 3.56 3.03 0.27 -5.15 118.95 116.37 2dzm s ARG 19 Ca -0.10 -0.31 -0.22 0.00 2.03 0.00 0.00 55.73 57.13 2dzm s ARG 19 Cb 0.05 0.15 -0.05 0.00 -1.03 0.00 0.00 34.95 34.07 2dzm s ARG 19 CO 0.40 -0.23 0.65 0.54 -1.13 0.00 0.00 175.30 175.53 2dzm s ASN 20 N -3.34 7.03 0.05 -2.89 4.22 -1.26 -2.45 114.94 116.30 2dzm s ASN 20 Ca 0.21 1.23 0.08 0.00 -2.14 0.00 0.00 52.86 52.23 2dzm s ASN 20 Cb 0.02 -2.40 -0.03 0.00 1.28 0.00 0.00 41.25 40.13 2dzm s ASN 20 CO -0.02 0.05 -0.21 0.54 -2.04 0.00 0.00 177.10 175.42 2dzm s VAL 21 N -0.02 1.71 -0.12 3.54 0.11 -0.64 -4.97 120.40 120.01 2dzm s VAL 21 Ca 0.34 -1.23 -0.18 0.00 -2.93 0.00 0.00 61.98 57.97 2dzm s VAL 21 Cb -0.19 -1.49 -0.04 0.00 -1.53 0.00 0.00 36.38 33.13 2dzm s VAL 21 CO 0.19 0.21 0.49 -0.62 -3.33 0.00 0.00 175.10 172.03 2dzm s ASP 22 N -1.22 6.70 0.03 3.54 -1.08 -1.26 -1.46 116.67 121.91 2dzm s ASP 22 Ca 0.08 0.83 0.08 0.00 -0.52 0.00 0.00 52.55 53.02 2dzm s ASP 22 Cb -0.09 -2.29 -0.03 0.00 -1.46 0.00 0.00 42.92 39.05 2dzm s ASP 22 CO 0.02 -0.01 -0.22 -0.69 0.52 0.00 0.00 175.17 174.79 2dzm s VAL 23 N 0.67 2.50 -0.17 1.11 1.01 0.75 -4.95 120.40 121.32 2dzm s VAL 23 Ca 0.27 -1.22 0.00 0.00 0.00 0.00 0.00 61.98 61.03 2dzm s VAL 23 Cb -0.15 -2.01 0.04 0.00 0.00 0.00 0.00 36.38 34.26 2dzm s VAL 23 CO 0.11 0.39 -0.08 -0.69 0.00 0.00 0.00 175.10 174.82 2dzm s VAL 24 N -0.84 1.32 -0.16 2.92 1.01 -1.26 -0.07 120.40 123.32 2dzm s VAL 24 Ca 0.13 -0.71 -0.10 0.00 0.00 0.00 0.00 61.98 61.30 2dzm s VAL 24 Cb -0.10 -1.42 0.05 0.00 0.00 0.00 0.00 36.38 34.92 2dzm s VAL 24 CO 0.03 0.21 0.40 -1.48 0.00 0.00 0.00 175.10 174.26 2dzm s LEU 25 N 1.55 0.03 1.07 3.92 2.34 -1.18 -4.92 118.68 121.50 2dzm s LEU 25 Ca 0.01 0.86 -0.12 0.00 0.06 0.00 0.00 54.13 54.94 2dzm s LEU 25 Cb -0.15 1.34 0.21 0.00 -0.56 0.00 0.00 46.19 47.02 2dzm s LEU 25 CO -0.08 -0.18 0.91 -1.84 -1.06 0.00 0.00 176.35 174.10 2dzm n GLU 26 N 3.98 -1.57 0.04 1.48 0.00 -1.26 -2.70 120.64 120.62 2dzm n GLU 26 Ca -0.21 -0.42 0.13 0.00 0.00 0.00 0.00 57.16 56.66 2dzm n GLU 26 Cb 0.56 -2.17 0.53 0.00 0.00 0.00 0.00 31.44 30.35 2dzm n GLU 26 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.13 176.73 2dzm n ASP 27 N -4.14 0.33 0.00 -1.84 5.68 -1.22 -3.02 116.55 112.35 2dzm n ASP 27 Ca 0.06 0.53 0.14 0.00 -0.50 0.00 0.00 54.79 55.02 2dzm n ASP 27 Cb 0.54 -0.62 0.66 0.00 -1.14 0.00 0.00 41.12 40.56 2dzm n ASP 27 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 2dzm n THR 28 N -1.81 0.04 -2.77 2.12 -2.24 -1.26 -0.88 114.28 107.48 2dzm n THR 28 Ca 0.06 0.01 -0.30 0.00 -2.27 0.00 0.00 64.05 61.55 2dzm n THR 28 Cb 0.37 -0.52 -0.03 0.00 -2.10 0.00 0.00 70.33 68.05 2dzm n THR 28 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2dzm s THR 30 N -2.45 4.24 0.56 0.00 2.01 -1.26 -2.61 115.64 116.13 2dzm s THR 30 Ca 0.52 1.95 0.42 0.00 0.31 0.00 0.00 61.69 64.88 2dzm s THR 30 Cb -0.10 -4.26 0.62 0.00 0.01 0.00 0.00 72.50 68.77 2dzm s THR 30 CO 0.33 0.48 1.66 -0.37 -0.69 0.00 0.00 174.62 176.03 2dzm h VAL 31 N 3.35 0.19 -0.74 3.82 -1.51 -1.46 0.69 116.25 120.59 2dzm h VAL 31 Ca -0.45 0.00 -0.02 0.00 -1.23 0.00 0.00 66.70 64.99 2dzm h VAL 31 Cb 1.20 0.20 -0.03 0.00 -2.13 0.00 0.00 31.29 30.53 2dzm h VAL 31 CO 0.68 0.00 0.37 1.23 -1.23 0.00 0.00 177.57 178.62 2dzm h GLY 32 N 0.00 1.11 -0.51 5.19 0.00 -1.80 -3.11 103.07 103.96 2dzm h GLY 32 Ca 0.72 -0.52 0.07 0.00 0.00 0.00 0.00 47.33 47.59 2dzm h GLY 32 CO -0.01 0.50 -0.52 0.83 0.00 0.00 0.00 176.54 177.35 2dzm h GLU 33 N 1.04 -0.28 -0.73 4.80 4.39 0.06 0.79 114.58 124.64 2dzm h GLU 33 Ca 0.26 0.02 0.25 0.00 0.34 0.00 0.00 59.36 60.22 2dzm h GLU 33 Cb 0.08 0.06 -0.13 0.00 -0.10 0.00 0.00 28.75 28.66 2dzm h GLU 33 CO -0.04 -0.19 0.18 -0.89 -1.16 0.00 0.00 179.01 176.92 2dzm n ILE 34 N -5.37 -0.31 0.35 3.13 5.41 -1.17 -0.03 119.36 121.37 2dzm n ILE 34 Ca -0.01 1.55 -0.14 0.00 1.00 0.00 0.00 62.75 65.16 2dzm n ILE 34 Cb 0.34 -2.38 -0.07 0.00 -0.71 0.00 0.00 39.64 36.82 2dzm n ILE 34 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 176.55 176.66 2dzm h LYS 35 N 0.00 -0.86 -0.51 0.38 1.57 -0.99 -0.30 116.57 115.86 2dzm h LYS 35 Ca 0.52 0.06 0.12 0.00 -1.87 0.00 0.00 60.65 59.48 2dzm h LYS 35 Cb 1.23 0.19 -0.03 0.00 0.08 0.00 0.00 32.23 33.71 2dzm h LYS 35 CO -0.63 -0.57 0.35 0.37 -0.57 0.00 0.00 179.45 178.40 2dzm h GLN 36 N -0.89 0.16 -0.20 3.15 4.15 -0.38 -1.62 115.11 119.49 2dzm h GLN 36 Ca -0.09 -0.01 -0.03 0.00 0.77 0.00 0.00 58.65 59.29 2dzm h GLN 36 Cb 0.69 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.33 2dzm h GLN 36 CO 0.14 0.11 -0.00 0.82 -1.93 0.00 0.00 178.83 177.97 2dzm h ILE 37 N 0.17 1.26 -0.01 2.39 2.04 -0.18 -2.57 117.51 120.60 2dzm h ILE 37 Ca 0.24 -0.88 0.00 0.00 1.00 0.00 0.00 64.86 65.23 2dzm h ILE 37 Cb 0.73 1.44 -0.00 0.00 -0.74 0.00 0.00 36.82 38.25 2dzm h ILE 37 CO -0.04 0.27 0.12 -0.07 0.00 0.00 0.00 178.15 178.43 2dzm h LEU 38 N 0.11 0.00 0.00 1.44 3.38 -0.04 0.35 115.31 120.54 2dzm h LEU 38 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 2dzm h LEU 38 Cb 0.40 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.15 2dzm h LEU 38 CO 0.01 0.00 -0.02 -0.08 0.09 0.00 0.00 178.44 178.44 2dzm h GLU 39 N 0.00 0.00 -0.01 1.13 4.81 -1.32 0.13 114.58 119.32 2dzm h GLU 39 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2dzm h GLU 39 Cb 0.23 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.61 2dzm h GLU 39 CO -0.00 0.00 -0.46 0.09 -0.73 0.00 0.00 179.01 177.91 2dzm n ASN 40 N -2.32 1.07 -0.00 1.04 3.02 0.12 -2.12 115.26 116.06 2dzm n ASN 40 Ca 0.05 -0.85 -0.01 0.00 -0.03 0.00 0.00 54.58 53.75 2dzm n ASN 40 Cb 0.44 0.34 -0.01 0.00 -0.61 0.00 0.00 39.78 39.95 2dzm n ASN 40 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2dzm n GLU 41 N -0.87 1.15 0.00 3.52 -0.58 -1.17 -4.72 120.64 117.97 2dzm n GLU 41 Ca 0.09 0.00 0.08 0.00 -0.42 0.00 0.00 57.16 56.92 2dzm n GLU 41 Cb 0.36 -1.02 -0.03 0.00 -0.57 0.00 0.00 31.44 30.18 2dzm n GLU 41 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 2dzm n LEU 42 N -2.38 1.41 -2.10 -4.62 4.77 0.43 -4.86 117.00 109.65 2dzm n LEU 42 Ca -0.02 -0.67 -0.21 0.00 -0.03 0.00 0.00 56.01 55.08 2dzm n LEU 42 Cb 0.52 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.57 2dzm n LEU 42 CO 0.01 0.28 -0.24 0.00 -1.33 0.00 0.00 177.39 176.12 2dzm n GLN 43 N -0.55 -1.61 -3.68 3.23 3.00 -0.90 -4.96 117.38 111.92 2dzm n GLN 43 Ca 0.06 1.09 -0.37 0.00 -0.01 0.00 0.00 57.00 57.77 2dzm n GLN 43 Cb 0.34 -5.65 -0.07 0.00 0.00 0.00 0.00 30.24 24.86 2dzm n GLN 43 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.06 177.48 2dzm s ILE 44 N -2.93 5.34 0.18 5.09 1.01 -1.25 -4.99 121.20 123.66 2dzm s ILE 44 Ca 0.00 0.42 -0.30 0.00 0.00 0.00 0.00 60.65 60.77 2dzm s ILE 44 Cb 0.00 -3.54 -0.09 0.00 0.01 0.00 0.00 42.46 38.85 2dzm s ILE 44 CO 0.00 0.51 1.31 -2.16 0.00 0.00 0.00 174.94 174.60 2dzm s PRO 45 N -0.29 4.39 0.33 2.79 0.04 -1.26 -3.90 135.00 137.09 2dzm s PRO 45 Ca 0.16 2.04 0.22 0.00 0.04 0.00 0.00 61.00 63.46 2dzm s PRO 45 Cb -0.13 -3.21 1.19 0.00 0.04 0.00 0.00 34.50 32.39 2dzm s PRO 45 CO 0.04 -0.27 1.67 0.28 0.04 0.00 0.00 177.00 178.77 2dzm n VAL 46 N 2.82 1.02 0.20 -0.36 0.31 -1.26 -0.58 118.33 120.48 2dzm n VAL 46 Ca 0.07 0.73 0.10 0.00 -0.01 0.00 0.00 64.34 65.23 2dzm n VAL 46 Cb 0.43 -1.73 0.13 0.00 -0.91 0.00 0.00 33.84 31.76 2dzm n VAL 46 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 2dzm h SER 47 N 0.00 0.00 -0.16 4.52 0.02 -1.99 -3.20 113.55 112.73 2dzm h SER 47 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2dzm h SER 47 Cb 0.01 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.55 2dzm h SER 47 CO 0.00 0.10 0.00 0.29 -1.14 0.00 0.00 176.83 176.08 2dzm n LYS 48 N -3.11 1.61 -4.17 3.45 4.76 0.26 -4.98 118.16 115.98 2dzm n LYS 48 Ca 0.03 -1.64 -0.28 0.00 -2.87 0.00 0.00 58.31 53.55 2dzm n LYS 48 Cb 0.57 -1.29 -0.08 0.00 -1.84 0.00 0.00 35.03 32.39 2dzm n LYS 48 CO 0.00 0.00 0.00 -1.64 -1.37 0.00 0.00 177.40 174.39 2dzm s MET 49 N -1.11 2.45 -0.18 1.97 -1.94 -0.94 -4.33 119.30 115.22 2dzm s MET 49 Ca 0.21 -0.97 -0.04 0.00 -1.71 0.00 0.00 55.69 53.18 2dzm s MET 49 Cb 0.13 -2.44 0.06 0.00 2.01 0.00 0.00 34.83 34.58 2dzm s MET 49 CO 0.18 0.50 0.07 -0.51 -0.01 0.00 0.00 175.02 175.25 2dzm s LEU 50 N -2.59 0.67 -0.06 -0.03 1.43 -1.24 -4.92 118.68 111.94 2dzm s LEU 50 Ca 0.26 -0.69 -0.30 0.00 -1.03 0.00 0.00 54.13 52.37 2dzm s LEU 50 Cb -0.11 -0.38 -0.05 0.00 0.03 0.00 0.00 46.19 45.68 2dzm s LEU 50 CO 0.18 -0.33 1.61 -0.22 0.23 0.00 0.00 176.35 177.82 2dzm s LEU 51 N 2.03 4.31 0.17 1.79 1.98 -1.26 -3.81 118.68 123.88 2dzm s LEU 51 Ca 0.01 2.18 -0.02 0.00 -2.89 0.00 0.00 54.13 53.41 2dzm s LEU 51 Cb -0.16 -3.53 -0.04 0.00 0.66 0.00 0.00 46.19 43.12 2dzm s LEU 51 CO -0.09 -0.90 0.12 -0.54 -1.89 0.00 0.00 176.35 173.05 2dzm s LYS 52 N 3.93 1.08 0.00 1.98 1.02 -1.25 -4.90 119.74 121.61 2dzm s LYS 52 Ca 0.71 -1.49 0.00 0.00 0.02 0.00 0.00 55.97 55.21 2dzm s LYS 52 Cb -0.32 0.27 0.00 0.00 -0.52 0.00 0.00 37.83 37.26 2dzm s LYS 52 CO 0.28 -0.34 0.00 0.41 -0.92 0.00 0.00 175.35 174.78 2dzm n GLY 53 N -0.19 2.14 2.60 -3.33 0.00 -1.26 -3.66 105.19 101.48 2dzm n GLY 53 Ca -0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.68 2dzm n GLY 53 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2dzm n TRP 54 N -0.43 -2.18 -0.05 1.61 7.02 -1.26 -4.87 117.44 117.28 2dzm n TRP 54 Ca 0.00 0.39 -0.15 0.00 -1.02 0.00 0.00 57.50 56.72 2dzm n TRP 54 Cb 0.00 -1.36 -0.07 0.00 -2.42 0.00 0.00 31.31 27.46 2dzm n TRP 54 CO 0.00 0.00 0.00 -0.22 -2.02 0.00 0.00 177.69 175.45 2dzm h LYS 55 N 0.05 0.54 -4.69 -0.99 3.64 -1.98 -3.41 116.57 109.72 2dzm h LYS 55 Ca -0.32 -0.37 -0.71 0.00 -1.27 0.00 0.00 60.65 57.99 2dzm h LYS 55 Cb 1.15 0.05 -0.20 0.00 -0.41 0.00 0.00 32.23 32.83 2dzm h LYS 55 CO 0.34 0.98 -0.32 -0.08 -2.27 0.00 0.00 179.45 178.10 2dzm s THR 56 N -3.95 5.17 0.00 1.00 -1.32 -1.26 -5.01 115.64 110.27 2dzm s THR 56 Ca -0.13 -0.49 0.00 0.00 -1.21 0.00 0.00 61.69 59.86 2dzm s THR 56 Cb 0.06 -3.98 0.00 0.00 -1.51 0.00 0.00 72.50 67.07 2dzm s THR 56 CO 0.81 -0.36 0.00 0.61 -2.21 0.00 0.00 174.62 173.47 2dzm n GLY 57 N 5.13 1.63 3.17 6.08 0.00 -1.26 -3.90 105.19 116.04 2dzm n GLY 57 Ca -0.09 -0.04 -0.35 0.00 0.00 0.00 0.00 46.02 45.54 2dzm n GLY 57 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2dzm s ASP 58 N -2.91 4.95 0.31 1.61 1.01 -1.26 -4.53 116.67 115.85 2dzm s ASP 58 Ca 0.00 -1.36 -0.29 0.00 0.71 0.00 0.00 52.55 51.61 2dzm s ASP 58 Cb 0.00 -1.73 -0.10 0.00 1.01 0.00 0.00 42.92 42.10 2dzm s ASP 58 CO 0.00 -0.30 1.27 -0.69 0.21 0.00 0.00 175.17 175.66 2dzm s VAL 59 N 1.24 2.92 0.11 -1.27 1.01 -1.25 -5.02 120.40 118.14 2dzm s VAL 59 Ca -0.03 0.91 -0.07 0.00 0.00 0.00 0.00 61.98 62.78 2dzm s VAL 59 Cb -0.20 -3.58 -0.06 0.00 0.00 0.00 0.00 36.38 32.54 2dzm s VAL 59 CO -0.01 0.21 0.39 -1.83 0.00 0.00 0.00 175.10 173.85 2dzm s GLU 60 N -1.54 3.68 0.31 2.72 -1.05 -1.26 -4.95 118.70 116.60 2dzm s GLU 60 Ca 0.49 0.03 0.16 0.00 -0.15 0.00 0.00 54.97 55.50 2dzm s GLU 60 Cb -0.38 -2.91 0.87 0.00 -0.44 0.00 0.00 34.13 31.26 2dzm s GLU 60 CO 0.49 0.51 1.43 -3.47 0.95 0.00 0.00 175.26 175.17 2dzm n ASP 61 N 0.48 0.41 -0.37 0.83 -0.08 -1.26 -0.03 116.55 116.54 2dzm n ASP 61 Ca -0.05 0.63 0.02 0.00 -1.51 0.00 0.00 54.79 53.89 2dzm n ASP 61 Cb 0.52 -0.63 0.07 0.00 2.34 0.00 0.00 41.12 43.42 2dzm n ASP 61 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08 2dzm n SER 62 N -2.10 1.04 -4.71 1.67 2.88 -1.26 -3.98 113.62 107.15 2dzm n SER 62 Ca -0.01 -2.03 -0.26 0.00 -1.33 0.00 0.00 58.87 55.24 2dzm n SER 62 Cb 0.19 -0.17 -0.07 0.00 -0.75 0.00 0.00 64.21 63.42 2dzm n SER 62 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 2dzm s THR 63 N -1.73 3.96 -0.08 2.46 2.01 0.96 -5.05 115.64 118.17 2dzm s THR 63 Ca 0.11 -1.33 -0.01 0.00 0.31 0.00 0.00 61.69 60.78 2dzm s THR 63 Cb 0.06 -3.01 -0.03 0.00 0.01 0.00 0.00 72.50 69.53 2dzm s THR 63 CO 0.07 -0.12 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.15 2dzm s VAL 64 N -1.76 3.96 0.14 3.82 1.01 -1.26 -1.44 120.40 124.88 2dzm s VAL 64 Ca 0.29 -0.38 -0.29 0.00 0.00 0.00 0.00 61.98 61.60 2dzm s VAL 64 Cb -0.09 -2.65 -0.03 0.00 0.00 0.00 0.00 36.38 33.60 2dzm s VAL 64 CO 0.20 0.59 1.57 -0.07 0.00 0.00 0.00 175.10 177.39 2dzm h LEU 65 N 5.34 -1.48 -1.49 3.92 3.38 -1.56 0.19 115.31 123.61 2dzm h LEU 65 Ca -0.48 0.21 0.47 0.00 0.09 0.00 0.00 57.88 58.17 2dzm h LEU 65 Cb 1.18 0.63 -0.12 0.00 0.09 0.00 0.00 40.66 42.43 2dzm h LEU 65 CO 0.54 -0.39 0.95 0.07 0.09 0.00 0.00 178.44 179.69 2dzm h LYS 66 N -0.39 0.04 -0.76 1.13 2.10 -1.28 1.25 116.57 118.65 2dzm h LYS 66 Ca 0.11 -0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.76 2dzm h LYS 66 Cb 0.60 -0.01 -0.04 0.00 -0.90 0.00 0.00 32.23 31.89 2dzm h LYS 66 CO -0.53 0.02 0.49 1.03 -2.00 0.00 0.00 179.45 178.46 2dzm h SER 67 N 0.04 0.89 0.88 7.07 0.87 -0.92 -2.38 113.55 120.01 2dzm h SER 67 Ca 0.86 -0.04 0.00 0.00 -1.23 0.00 0.00 61.79 61.38 2dzm h SER 67 Cb 2.85 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 64.59 2dzm h SER 67 CO -0.38 0.66 -0.73 -0.07 -0.53 0.00 0.00 176.83 175.78 2dzm h LEU 68 N 1.03 0.00 -2.82 2.23 3.38 0.14 -3.48 115.31 115.79 2dzm h LEU 68 Ca 0.28 -0.17 -0.55 0.00 0.09 0.00 0.00 57.88 57.52 2dzm h LEU 68 Cb -0.09 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.60 2dzm h LEU 68 CO -0.06 0.09 -0.96 1.41 0.09 0.00 0.00 178.44 179.01 2dzm n HIS 69 N -2.25 -1.50 -1.41 1.13 8.25 0.92 -4.83 115.22 115.53 2dzm n HIS 69 Ca 0.02 0.44 -0.37 0.00 -0.26 0.00 0.00 57.72 57.55 2dzm n HIS 69 Cb 0.47 -3.13 0.05 0.00 1.12 0.00 0.00 29.99 28.50 2dzm n HIS 69 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 2dzm n LEU 70 N -4.63 1.17 -4.77 2.41 7.99 -1.26 -4.92 117.00 112.99 2dzm n LEU 70 Ca -0.22 0.69 -0.36 0.00 -0.01 0.00 0.00 56.01 56.11 2dzm n LEU 70 Cb 0.63 -1.22 -0.00 0.00 -0.11 0.00 0.00 43.42 42.73 2dzm n LEU 70 CO 0.76 -2.93 0.80 -2.16 -1.51 0.00 0.00 177.39 172.36 2dzm s PRO 71 N -2.42 3.54 0.22 3.23 0.04 -1.26 -4.89 135.00 133.45 2dzm s PRO 71 Ca 0.69 1.68 0.00 0.00 0.04 0.00 0.00 61.00 63.41 2dzm s PRO 71 Cb -0.40 -2.18 0.52 0.00 0.04 0.00 0.00 34.50 32.47 2dzm s PRO 71 CO 0.55 -0.71 1.14 1.17 0.04 0.00 0.00 177.00 179.18 2dzm n LYS 72 N -0.94 -0.06 -3.26 4.56 3.00 -1.26 -3.25 118.16 116.95 2dzm n LYS 72 Ca 0.10 1.10 -0.44 0.00 -0.00 0.00 0.00 58.31 59.06 2dzm n LYS 72 Cb 0.50 -1.72 -0.07 0.00 0.00 0.00 0.00 35.03 33.74 2dzm n LYS 72 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.40 176.60 2dzm s ASN 73 N -5.04 6.19 0.10 3.14 0.01 -1.26 -3.45 114.94 114.63 2dzm s ASN 73 Ca -0.10 -1.16 -0.08 0.00 -0.71 0.00 0.00 52.86 50.82 2dzm s ASN 73 Cb 0.21 -2.24 -0.06 0.00 0.41 0.00 0.00 41.25 39.57 2dzm s ASN 73 CO 0.57 -0.80 0.39 0.20 -1.51 0.00 0.00 177.10 175.94 2dzm s ASN 74 N 2.75 6.57 -0.19 -1.22 0.01 -0.27 -5.04 114.94 117.55 2dzm s ASN 74 Ca 0.10 0.71 -0.05 0.00 -0.71 0.00 0.00 52.86 52.91 2dzm s ASN 74 Cb -0.22 -2.14 0.08 0.00 0.41 0.00 0.00 41.25 39.37 2dzm s ASN 74 CO 0.09 0.13 0.14 -0.94 -1.51 0.00 0.00 177.10 175.01 2dzm s SER 75 N -2.01 1.99 0.49 -1.22 1.04 -1.26 -1.53 113.70 111.20 2dzm s SER 75 Ca 0.36 -0.48 0.02 0.00 0.48 0.00 0.00 55.95 56.32 2dzm s SER 75 Cb -0.13 0.01 -0.01 0.00 0.10 0.00 0.00 66.02 65.99 2dzm s SER 75 CO 0.20 -0.34 0.06 -0.76 0.98 0.00 0.00 173.24 173.37 2dzm s LEU 76 N 2.21 2.11 -0.21 2.42 1.43 0.34 -4.91 118.68 122.07 2dzm s LEU 76 Ca 0.04 -1.72 -0.18 0.00 -1.03 0.00 0.00 54.13 51.24 2dzm s LEU 76 Cb -0.16 -0.45 0.06 0.00 0.03 0.00 0.00 46.19 45.66 2dzm s LEU 76 CO -0.11 -0.95 0.55 -0.72 0.23 0.00 0.00 176.35 175.34 2dzm s TYR 77 N -3.00 -0.64 -0.04 0.29 1.13 -1.24 -0.65 117.35 113.20 2dzm s TYR 77 Ca 0.09 1.51 -0.07 0.00 -1.41 0.00 0.00 57.07 57.18 2dzm s TYR 77 Cb 0.01 0.25 -0.05 0.00 -1.10 0.00 0.00 41.96 41.07 2dzm s TYR 77 CO 0.06 -0.31 0.23 0.08 -2.51 0.00 0.00 175.55 173.10 2dzm s VAL 78 N 0.51 5.35 -0.20 -3.49 1.01 -1.20 -3.76 120.40 118.61 2dzm s VAL 78 Ca -0.02 0.24 -0.02 0.00 0.00 0.00 0.00 61.98 62.19 2dzm s VAL 78 Cb -0.04 -3.52 0.06 0.00 0.00 0.00 0.00 36.38 32.87 2dzm s VAL 78 CO -0.02 0.48 0.01 -0.76 0.00 0.00 0.00 175.10 174.81 2dzm s LEU 79 N -1.43 1.52 -0.64 3.92 1.43 -1.25 -4.63 118.68 117.61 2dzm s LEU 79 Ca 0.23 -0.91 -0.12 0.00 -1.03 0.00 0.00 54.13 52.30 2dzm s LEU 79 Cb -0.13 -0.74 0.17 0.00 0.03 0.00 0.00 46.19 45.51 2dzm s LEU 79 CO 0.12 -0.29 0.55 0.42 0.23 0.00 0.00 176.35 177.38 2dzm s THR 80 N 1.74 4.89 0.02 5.49 -4.23 -1.26 -3.73 115.64 118.56 2dzm s THR 80 Ca -0.02 -2.15 -0.22 0.00 -1.18 0.00 0.00 61.69 58.11 2dzm s THR 80 Cb -0.17 -4.11 -0.16 0.00 1.34 0.00 0.00 72.50 69.39 2dzm s THR 80 CO -0.07 -0.91 1.32 1.55 -0.54 0.00 0.00 174.62 175.97 2dzm h PRO 81 N 8.09 0.24 0.16 3.99 0.13 -1.99 -3.37 132.00 139.25 2dzm h PRO 81 Ca -0.09 -0.12 -0.01 0.00 -0.87 0.00 0.00 66.00 64.91 2dzm h PRO 81 Cb 1.05 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.18 2dzm h PRO 81 CO 0.84 0.65 -0.08 0.22 -0.23 0.00 0.00 178.00 179.41 2dzm h ASP 82 N -0.17 -0.18 -0.81 1.44 3.58 -1.91 -3.46 116.42 114.90 2dzm h ASP 82 Ca 0.02 0.01 -0.60 0.00 0.42 0.00 0.00 57.03 56.88 2dzm h ASP 82 Cb 0.61 0.05 0.06 0.00 1.72 0.00 0.00 39.33 41.77 2dzm h ASP 82 CO 0.02 0.16 -0.15 -0.11 -2.88 0.00 0.00 179.24 176.28 2dzm n LEU 83 N -4.20 -0.43 -4.67 2.28 7.94 -1.26 -4.90 117.00 111.76 2dzm n LEU 83 Ca -0.03 0.92 -0.28 0.00 -1.11 0.00 0.00 56.01 55.51 2dzm n LEU 83 Cb 0.09 -0.75 0.18 0.00 0.53 0.00 0.00 43.42 43.47 2dzm n LEU 83 CO 0.07 -1.91 0.64 -2.16 -1.11 0.00 0.00 177.39 172.91 2dzm s PRO 84 N -0.34 0.30 0.53 1.96 0.04 -1.26 -4.94 135.00 131.29 2dzm s PRO 84 Ca 0.64 0.48 -0.20 0.00 0.04 0.00 0.00 61.00 61.96 2dzm s PRO 84 Cb -0.91 -1.73 -0.06 0.00 0.04 0.00 0.00 34.50 31.85 2dzm s PRO 84 CO 0.46 -2.81 1.13 -1.25 0.04 0.00 0.00 177.00 174.57 2dzm s PRO 85 N -4.97 3.40 0.00 0.56 0.04 -1.26 -4.92 135.00 127.86 2dzm s PRO 85 Ca 0.66 1.63 0.15 0.00 0.04 0.00 0.00 61.00 63.47 2dzm s PRO 85 Cb -0.19 -2.05 0.76 0.00 0.04 0.00 0.00 34.50 33.06 2dzm s PRO 85 CO 0.58 -0.81 1.40 -0.35 0.04 0.00 0.00 177.00 177.85 2dzm n PRO 86 N -1.21 0.23 -3.91 0.56 -0.04 -1.26 -4.86 135.00 124.52 2dzm n PRO 86 Ca 0.11 0.13 -0.31 0.00 -0.04 0.00 0.00 63.50 63.39 2dzm n PRO 86 Cb 0.51 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.47 2dzm n PRO 86 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2dzm n SER 87 N -1.26 -4.17 -4.31 3.54 7.64 -1.26 -1.08 113.62 112.72 2dzm n SER 87 Ca 0.07 -0.78 -0.35 0.00 1.01 0.00 0.00 58.87 58.83 2dzm n SER 87 Cb 0.11 -3.37 -0.07 0.00 -1.01 0.00 0.00 64.21 59.88 2dzm n SER 87 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2dzm n SER 88 N -2.67 -0.89 -3.55 6.43 3.41 -1.26 -4.90 113.62 110.19 2dzm n SER 88 Ca 0.05 -1.17 -0.15 0.00 -0.26 0.00 0.00 58.87 57.33 2dzm n SER 88 Cb 0.52 -2.06 -0.06 0.00 -0.26 0.00 0.00 64.21 62.35 2dzm n SER 88 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2dzm s SER 89 N -3.84 -0.56 0.12 4.04 1.04 -0.24 -5.18 113.70 109.07 2dzm s SER 89 Ca 0.39 0.69 -0.26 0.00 0.48 0.00 0.00 55.95 57.25 2dzm s SER 89 Cb -0.22 0.56 0.08 0.00 0.10 0.00 0.00 66.02 66.53 2dzm s SER 89 CO 0.98 -0.47 1.05 -0.44 0.98 0.00 0.00 173.24 175.34 2dzm s SER 90 N -0.96 -0.11 -0.66 7.02 0.01 -1.26 -4.84 113.70 112.90 2dzm s SER 90 Ca -0.06 -0.41 0.02 0.00 1.31 0.00 0.00 55.95 56.81 2dzm s SER 90 Cb -0.01 0.42 0.16 0.00 0.21 0.00 0.00 66.02 66.80 2dzm s SER 90 CO 0.06 -0.79 0.46 -2.28 0.41 0.00 0.00 173.24 171.10 2dzm s HIS 91 N -2.84 3.47 -0.44 2.43 2.46 -1.26 -5.05 115.29 114.06 2dzm s HIS 91 Ca 0.15 -3.10 -0.35 0.00 0.47 0.00 0.00 55.06 52.23 2dzm s HIS 91 Cb -0.00 -2.94 -0.16 0.00 -0.13 0.00 0.00 32.58 29.35 2dzm s HIS 91 CO 0.02 -0.70 1.78 0.00 -2.47 0.00 0.00 174.74 173.36 2dzm n ALA 92 N 2.71 0.18 -1.48 1.58 0.00 -1.26 -4.82 120.51 117.43 2dzm n ALA 92 Ca 0.13 0.12 -0.35 0.00 0.00 0.00 0.00 53.44 53.34 2dzm n ALA 92 Cb 0.35 -1.71 0.09 0.00 0.00 0.00 0.00 19.45 18.18 2dzm n ALA 92 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2dzm s GLY 93 N 5.09 2.57 -0.27 0.00 0.00 -1.26 -4.88 107.32 108.57 2dzm s GLY 93 Ca 0.99 1.05 -0.01 0.00 0.00 0.00 0.00 44.72 46.75 2dzm s GLY 93 CO 0.53 1.48 2.09 0.00 0.00 0.00 0.00 173.10 177.19 2dzm n ALA 94 N -2.45 5.03 -3.01 3.20 0.00 -1.26 -4.82 120.51 117.21 2dzm n ALA 94 Ca 0.15 -1.47 -0.44 0.00 0.00 0.00 0.00 53.44 51.68 2dzm n ALA 94 Cb 0.49 -1.37 -0.02 0.00 0.00 0.00 0.00 19.45 18.55 2dzm n ALA 94 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2dzm s LEU 95 N -1.51 5.38 -0.33 0.00 2.01 -1.26 -4.95 118.68 118.01 2dzm s LEU 95 Ca 0.28 -2.25 0.01 0.00 0.01 0.00 0.00 54.13 52.18 2dzm s LEU 95 Cb 0.21 -2.36 0.10 0.00 0.01 0.00 0.00 46.19 44.15 2dzm s LEU 95 CO -0.02 -0.94 0.09 -1.58 1.01 0.00 0.00 176.35 174.91 2dzm s GLN 96 N 2.10 1.04 -0.20 1.70 2.00 -1.26 -5.08 119.66 119.96 2dzm s GLN 96 Ca 0.31 -1.44 -0.12 0.00 -2.00 0.00 0.00 55.36 52.11 2dzm s GLN 96 Cb -0.06 -2.47 0.06 0.00 0.80 0.00 0.00 33.01 31.35 2dzm s GLN 96 CO -0.09 -0.98 0.49 -1.83 -0.50 0.00 0.00 175.29 172.38 2dzm s GLU 97 N 1.26 0.50 -0.23 1.67 1.03 -1.26 -5.05 118.70 116.62 2dzm s GLU 97 Ca 0.11 0.86 0.03 0.00 0.03 0.00 0.00 54.97 56.00 2dzm s GLU 97 Cb -0.18 0.07 -0.16 0.00 -0.80 0.00 0.00 34.13 33.06 2dzm s GLU 97 CO -0.17 -0.14 -0.19 0.45 -1.33 0.00 0.00 175.26 173.88 2dzm n SER 98 N 3.98 2.04 -3.91 0.83 2.88 -1.26 -5.01 113.62 113.17 2dzm n SER 98 Ca -0.21 -0.12 -0.28 0.00 -1.33 0.00 0.00 58.87 56.94 2dzm n SER 98 Cb 0.56 -0.27 0.01 0.00 -0.75 0.00 0.00 64.21 63.77 2dzm n SER 98 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2dzm n LEU 99 N -3.15 -2.50 -0.70 2.46 4.77 -1.26 -5.06 117.00 111.56 2dzm n LEU 99 Ca -0.41 -0.88 0.13 0.00 -0.03 0.00 0.00 56.01 54.83 2dzm n LEU 99 Cb 0.95 -2.44 0.33 0.00 -2.33 0.00 0.00 43.42 39.93 2dzm n LEU 99 CO 0.25 0.42 0.76 -3.20 -1.33 0.00 0.00 177.39 174.29