#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 6.76 0.05 1.61 0.15 -1.26 -4.77 113.70 116.24 2dzm s SER 2 Ca 0.00 -2.20 -0.18 0.00 0.70 0.00 0.00 55.95 54.26 2dzm s SER 2 Cb 0.00 -2.55 -0.15 0.00 -1.71 0.00 0.00 66.02 61.60 2dzm s SER 2 CO 0.00 -1.22 1.29 0.28 1.20 0.00 0.00 173.24 174.79 2dzm h SER 3 N 8.20 0.55 -1.07 5.45 0.02 -2.12 -3.49 113.55 121.09 2dzm h SER 3 Ca 0.36 -0.56 0.00 0.00 -0.84 0.00 0.00 61.79 60.74 2dzm h SER 3 Cb 0.92 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 63.30 2dzm h SER 3 CO 1.42 1.01 0.00 0.61 -1.14 0.00 0.00 176.83 178.73 2dzm n GLY 4 N 0.45 4.88 3.02 -3.77 0.00 -1.26 -5.17 105.19 103.35 2dzm n GLY 4 Ca -0.07 -0.99 -0.09 0.00 0.00 0.00 0.00 46.02 44.87 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 0.00 0.19 -0.52 1.61 0.01 -1.26 -5.06 113.70 108.67 2dzm s SER 5 Ca 0.00 -0.45 0.02 0.00 1.31 0.00 0.00 55.95 56.83 2dzm s SER 5 Cb 0.00 0.14 0.44 0.00 0.21 0.00 0.00 66.02 66.80 2dzm s SER 5 CO 0.00 -0.34 1.61 -1.20 0.41 0.00 0.00 173.24 173.72 2dzm n SER 6 N 1.46 6.28 0.00 2.44 7.64 -1.26 -4.96 113.62 125.22 2dzm n SER 6 Ca -0.23 -3.77 0.00 0.00 1.01 0.00 0.00 58.87 55.88 2dzm n SER 6 Cb 0.56 -0.69 0.00 0.00 -1.01 0.00 0.00 64.21 63.07 2dzm n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dzm n GLY 7 N -0.74 3.78 3.62 0.23 0.00 -1.26 -5.12 105.19 105.70 2dzm n GLY 7 Ca 0.52 -0.20 -0.39 0.00 0.00 0.00 0.00 46.02 45.95 2dzm n GLY 7 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2dzm s ARG 8 N -0.97 4.04 0.27 1.61 1.70 -1.26 -5.04 118.95 119.31 2dzm s ARG 8 Ca 0.00 0.01 -0.29 0.00 -0.47 0.00 0.00 55.73 54.98 2dzm s ARG 8 Cb 0.00 -3.62 -0.09 0.00 -0.57 0.00 0.00 34.95 30.66 2dzm s ARG 8 CO 0.00 -0.19 1.01 -1.64 -1.08 0.00 0.00 175.30 173.39 2dzm s MET 9 N 1.81 4.71 -0.21 3.89 -1.94 -1.26 -3.73 119.30 122.58 2dzm s MET 9 Ca 0.14 1.59 -0.03 0.00 -1.71 0.00 0.00 55.69 55.69 2dzm s MET 9 Cb -0.15 -3.16 -0.01 0.00 2.01 0.00 0.00 34.83 33.52 2dzm s MET 9 CO 0.09 0.35 -0.07 -0.51 -0.01 0.00 0.00 175.02 174.87 2dzm s LEU 10 N -1.44 2.81 -0.73 -0.03 1.43 -1.23 -4.97 118.68 114.52 2dzm s LEU 10 Ca 0.44 -0.40 -0.26 0.00 -1.03 0.00 0.00 54.13 52.87 2dzm s LEU 10 Cb -0.27 -1.70 0.04 0.00 0.03 0.00 0.00 46.19 44.28 2dzm s LEU 10 CO 0.34 0.01 1.24 -0.62 0.23 0.00 0.00 176.35 177.55 2dzm s ASP 11 N 1.32 6.16 -0.43 2.29 -1.08 -1.14 -3.77 116.67 120.03 2dzm s ASP 11 Ca 0.04 -0.52 -0.16 0.00 -0.52 0.00 0.00 52.55 51.39 2dzm s ASP 11 Cb -0.14 -2.54 0.03 0.00 -1.46 0.00 0.00 42.92 38.81 2dzm s ASP 11 CO -0.03 -1.79 0.37 -0.36 0.52 0.00 0.00 175.17 173.88 2dzm s PHE 12 N 5.53 3.21 -0.49 -5.34 0.08 0.69 -1.22 117.98 120.44 2dzm s PHE 12 Ca 0.33 -0.58 -0.19 0.00 0.12 0.00 0.00 56.93 56.61 2dzm s PHE 12 Cb -0.09 -2.81 0.05 0.00 -0.57 0.00 0.00 43.02 39.60 2dzm s PHE 12 CO 0.14 -0.67 0.63 0.50 -0.10 0.00 0.00 175.22 175.72 2dzm s ARG 13 N 1.85 3.15 -0.28 0.44 3.52 -0.88 -0.10 118.95 126.64 2dzm s ARG 13 Ca 0.07 -0.77 -0.16 0.00 -0.13 0.00 0.00 55.73 54.74 2dzm s ARG 13 Cb -0.19 -4.06 -0.03 0.00 -1.56 0.00 0.00 34.95 29.10 2dzm s ARG 13 CO 0.11 -1.18 0.42 0.08 -0.81 0.00 0.00 175.30 173.92 2dzm s VAL 14 N 2.69 5.13 -0.51 7.11 1.01 0.05 -0.93 120.40 134.95 2dzm s VAL 14 Ca 0.17 0.57 -0.17 0.00 0.00 0.00 0.00 61.98 62.55 2dzm s VAL 14 Cb -0.18 -3.76 0.08 0.00 0.00 0.00 0.00 36.38 32.52 2dzm s VAL 14 CO 0.13 0.08 0.53 -0.70 0.00 0.00 0.00 175.10 175.15 2dzm s GLU 15 N 2.15 3.04 0.02 2.72 2.12 -0.18 -0.98 118.70 127.60 2dzm s GLU 15 Ca 0.16 -1.21 0.06 0.00 0.36 0.00 0.00 54.97 54.35 2dzm s GLU 15 Cb -0.16 -4.15 -0.03 0.00 0.26 0.00 0.00 34.13 30.05 2dzm s GLU 15 CO 0.10 -1.20 -0.17 -0.47 -0.54 0.00 0.00 175.26 172.99 2dzm s TYR 16 N 2.15 2.60 0.15 5.30 5.04 -1.16 -3.30 117.35 128.13 2dzm s TYR 16 Ca 0.09 -0.23 -0.18 0.00 -2.44 0.00 0.00 57.07 54.32 2dzm s TYR 16 Cb -0.23 -1.50 0.08 0.00 0.35 0.00 0.00 41.96 40.66 2dzm s TYR 16 CO 0.08 0.25 1.16 0.54 -1.34 0.00 0.00 175.55 176.24 2dzm n ARG 17 N 1.66 -0.24 0.05 4.97 1.74 -1.26 -0.09 116.66 123.49 2dzm n ARG 17 Ca -0.16 1.15 -0.15 0.00 -0.77 0.00 0.00 57.85 57.91 2dzm n ARG 17 Cb 0.52 -1.70 -0.09 0.00 -1.02 0.00 0.00 32.46 30.17 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 -1.60 -4.57 0.55 5.19 -1.98 -3.47 116.42 110.54 2dzm h ASP 18 Ca 0.20 0.18 0.26 0.00 -0.62 0.00 0.00 57.03 57.05 2dzm h ASP 18 Cb 0.39 0.61 -0.17 0.00 0.18 0.00 0.00 39.33 40.34 2dzm h ASP 18 CO -0.73 -0.51 0.79 0.00 -3.12 0.00 0.00 179.24 175.67 2dzm s ARG 19 N -5.77 0.36 -0.08 3.56 1.70 0.87 -5.15 118.95 114.45 2dzm s ARG 19 Ca -0.16 -0.15 -0.24 0.00 -0.47 0.00 0.00 55.73 54.71 2dzm s ARG 19 Cb 0.07 0.16 -0.03 0.00 -0.57 0.00 0.00 34.95 34.57 2dzm s ARG 19 CO 0.62 -0.16 0.72 -0.80 -1.08 0.00 0.00 175.30 174.60 2dzm s ASN 20 N -2.36 6.99 0.13 -2.89 -0.87 -1.26 -2.99 114.94 111.68 2dzm s ASN 20 Ca 0.10 1.19 0.10 0.00 -1.57 0.00 0.00 52.86 52.69 2dzm s ASN 20 Cb 0.00 -2.42 -0.04 0.00 -0.02 0.00 0.00 41.25 38.77 2dzm s ASN 20 CO -0.05 -0.15 -0.25 0.54 -2.57 0.00 0.00 177.10 174.62 2dzm s VAL 21 N 0.98 2.40 -0.16 1.60 0.11 -0.15 -4.96 120.40 120.21 2dzm s VAL 21 Ca 0.38 -1.69 -0.07 0.00 -2.93 0.00 0.00 61.98 57.67 2dzm s VAL 21 Cb -0.18 -2.07 -0.04 0.00 -1.53 0.00 0.00 36.38 32.56 2dzm s VAL 21 CO 0.18 0.10 0.08 -0.62 -3.33 0.00 0.00 175.10 171.50 2dzm s ASP 22 N -2.07 5.78 -0.02 3.54 2.15 -1.26 -0.77 116.67 124.02 2dzm s ASP 22 Ca 0.15 0.18 0.07 0.00 0.43 0.00 0.00 52.55 53.38 2dzm s ASP 22 Cb -0.10 -1.93 -0.02 0.00 -0.30 0.00 0.00 42.92 40.57 2dzm s ASP 22 CO 0.07 0.25 -0.24 -0.69 -0.17 0.00 0.00 175.17 174.39 2dzm s VAL 23 N -0.06 1.87 -0.09 1.11 1.01 0.85 -4.96 120.40 120.13 2dzm s VAL 23 Ca 0.07 -1.01 0.00 0.00 0.00 0.00 0.00 61.98 61.05 2dzm s VAL 23 Cb -0.12 -1.55 0.02 0.00 0.00 0.00 0.00 36.38 34.73 2dzm s VAL 23 CO 0.01 0.53 -0.06 -0.69 0.00 0.00 0.00 175.10 174.88 2dzm s VAL 24 N -0.50 0.86 -0.19 2.92 1.01 -1.26 -0.23 120.40 123.02 2dzm s VAL 24 Ca 0.07 -0.22 -0.16 0.00 0.00 0.00 0.00 61.98 61.67 2dzm s VAL 24 Cb -0.10 -0.88 0.05 0.00 0.00 0.00 0.00 36.38 35.45 2dzm s VAL 24 CO -0.00 0.33 0.49 -1.48 0.00 0.00 0.00 175.10 174.43 2dzm s LEU 25 N 1.49 0.07 0.84 3.92 2.34 -1.25 -4.95 118.68 121.14 2dzm s LEU 25 Ca -0.00 1.00 -0.13 0.00 0.06 0.00 0.00 54.13 55.05 2dzm s LEU 25 Cb -0.13 1.67 0.05 0.00 -0.56 0.00 0.00 46.19 47.22 2dzm s LEU 25 CO -0.05 -0.18 0.83 1.21 -1.06 0.00 0.00 176.35 177.10 2dzm n GLU 26 N 3.01 0.02 0.00 1.48 2.13 -1.26 -3.49 120.64 122.53 2dzm n GLU 26 Ca -0.15 0.07 0.06 0.00 0.66 0.00 0.00 57.16 57.80 2dzm n GLU 26 Cb 0.57 -2.13 0.32 0.00 0.27 0.00 0.00 31.44 30.46 2dzm n GLU 26 CO 0.00 0.00 0.00 -0.40 -0.41 0.00 0.00 177.13 176.32 2dzm n ASP 27 N -2.15 0.00 0.11 4.31 5.75 -1.24 -1.78 116.55 121.54 2dzm n ASP 27 Ca 0.11 -0.01 0.07 0.00 -0.01 0.00 0.00 54.79 54.95 2dzm n ASP 27 Cb 0.51 -0.22 0.01 0.00 -1.03 0.00 0.00 41.12 40.39 2dzm n ASP 27 CO 0.00 0.00 0.00 0.71 -0.11 0.00 0.00 177.20 177.80 2dzm h THR 28 N 0.00 0.26 -4.16 2.12 1.35 -1.92 0.65 112.91 111.21 2dzm h THR 28 Ca 0.00 -1.45 -0.52 0.00 -0.55 0.00 0.00 66.41 63.90 2dzm h THR 28 Cb 0.09 1.85 0.11 0.00 -1.73 0.00 0.00 68.15 68.47 2dzm h THR 28 CO 0.00 0.15 0.40 0.00 -0.25 0.00 0.00 175.52 175.82 2dzm s THR 30 N -2.06 4.42 0.61 0.00 2.01 -1.26 -2.27 115.64 117.09 2dzm s THR 30 Ca 0.71 1.55 0.27 0.00 0.31 0.00 0.00 61.69 64.53 2dzm s THR 30 Cb -0.24 -4.00 0.34 0.00 0.01 0.00 0.00 72.50 68.61 2dzm s THR 30 CO 0.39 0.32 1.72 -0.37 -0.69 0.00 0.00 174.62 175.99 2dzm h VAL 31 N 2.94 0.19 -0.06 3.82 -1.51 -1.31 0.48 116.25 120.81 2dzm h VAL 31 Ca -0.47 0.00 -0.09 0.00 -1.23 0.00 0.00 66.70 64.90 2dzm h VAL 31 Cb 1.20 0.46 -0.01 0.00 -2.13 0.00 0.00 31.29 30.81 2dzm h VAL 31 CO 0.65 0.00 -0.39 1.23 -1.23 0.00 0.00 177.57 177.83 2dzm h GLY 32 N 0.00 0.14 0.18 5.19 0.00 -1.79 -3.27 103.07 103.51 2dzm h GLY 32 Ca 0.21 -0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.42 2dzm h GLY 32 CO -0.00 0.11 -0.36 0.83 0.00 0.00 0.00 176.54 177.12 2dzm h GLU 33 N 0.11 -0.57 -0.77 4.80 4.39 -0.39 -1.69 114.58 120.47 2dzm h GLU 33 Ca 0.01 0.04 0.31 0.00 0.34 0.00 0.00 59.36 60.06 2dzm h GLU 33 Cb 0.75 0.13 -0.13 0.00 -0.10 0.00 0.00 28.75 29.40 2dzm h GLU 33 CO 0.06 -0.38 0.42 -0.89 -1.16 0.00 0.00 179.01 177.06 2dzm n ILE 34 N -4.53 -0.30 0.30 3.13 5.41 -1.23 0.05 119.36 122.19 2dzm n ILE 34 Ca -0.07 1.49 -0.12 0.00 1.00 0.00 0.00 62.75 65.05 2dzm n ILE 34 Cb 0.30 -2.42 -0.06 0.00 -0.71 0.00 0.00 39.64 36.75 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 -0.73 -0.87 0.38 1.57 -1.46 -1.49 116.57 113.98 2dzm h LYS 35 Ca 0.63 0.05 0.10 0.00 -1.87 0.00 0.00 60.65 59.56 2dzm h LYS 35 Cb 1.70 0.17 -0.06 0.00 0.08 0.00 0.00 32.23 34.12 2dzm h LYS 35 CO -0.55 -0.49 0.56 0.37 -0.57 0.00 0.00 179.45 178.77 2dzm h GLN 36 N -0.82 0.82 -0.43 3.15 4.15 -0.22 -1.81 115.11 119.94 2dzm h GLN 36 Ca -0.08 -0.05 0.02 0.00 0.77 0.00 0.00 58.65 59.32 2dzm h GLN 36 Cb 0.58 -0.19 -0.03 0.00 0.21 0.00 0.00 27.48 28.06 2dzm h GLN 36 CO 0.13 0.54 0.25 0.82 -1.93 0.00 0.00 178.83 178.64 2dzm h ILE 37 N 0.85 1.02 -0.09 2.39 2.04 -0.56 -1.00 117.51 122.16 2dzm h ILE 37 Ca 0.40 -0.17 0.03 0.00 1.00 0.00 0.00 64.86 66.12 2dzm h ILE 37 Cb 0.42 0.49 -0.00 0.00 -0.74 0.00 0.00 36.82 36.98 2dzm h ILE 37 CO -0.17 0.09 0.14 -0.07 0.00 0.00 0.00 178.15 178.14 2dzm h LEU 38 N 0.49 0.00 -0.13 1.44 3.38 -0.37 0.33 115.31 120.45 2dzm h LEU 38 Ca 0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.15 2dzm h LEU 38 Cb 0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.78 2dzm h LEU 38 CO -0.09 0.00 0.00 1.21 0.09 0.00 0.00 178.44 179.65 2dzm n GLU 39 N -3.56 0.21 0.00 1.13 2.13 -0.38 -0.47 120.64 119.69 2dzm n GLU 39 Ca -0.01 0.23 0.12 0.00 0.66 0.00 0.00 57.16 58.16 2dzm n GLU 39 Cb 0.23 -1.77 0.18 0.00 0.27 0.00 0.00 31.44 30.35 2dzm n GLU 39 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 2dzm n ASN 40 N -2.14 1.17 -0.01 4.31 4.13 0.11 -2.09 115.26 120.75 2dzm n ASN 40 Ca 0.05 -0.94 -0.01 0.00 1.68 0.00 0.00 54.58 55.36 2dzm n ASN 40 Cb 0.37 0.37 -0.01 0.00 -1.54 0.00 0.00 39.78 38.98 2dzm n ASN 40 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 2dzm n GLU 41 N -0.79 2.21 0.00 3.52 -0.58 -1.11 -4.71 120.64 119.18 2dzm n GLU 41 Ca 0.09 0.00 0.07 0.00 -0.42 0.00 0.00 57.16 56.90 2dzm n GLU 41 Cb 0.37 -1.04 0.01 0.00 -0.57 0.00 0.00 31.44 30.21 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 -2.26 1.59 -2.23 -4.62 4.77 0.38 -4.97 117.00 109.65 2dzm n LEU 42 Ca -0.03 -0.80 -0.17 0.00 -0.03 0.00 0.00 56.01 54.98 2dzm n LEU 42 Cb 0.54 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.61 2dzm n LEU 42 CO 0.03 0.31 -0.21 0.00 -1.33 0.00 0.00 177.39 176.18 2dzm n GLN 43 N -0.01 -1.80 -3.87 3.23 3.00 -0.89 -4.95 117.38 112.08 2dzm n GLN 43 Ca 0.06 0.88 -0.36 0.00 -0.01 0.00 0.00 57.00 57.57 2dzm n GLN 43 Cb 0.30 -5.45 -0.07 0.00 0.00 0.00 0.00 30.24 25.02 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 -2.79 5.33 0.16 5.09 1.01 -1.25 -5.00 121.20 123.75 2dzm s ILE 44 Ca 0.00 0.15 -0.30 0.00 0.00 0.00 0.00 60.65 60.50 2dzm s ILE 44 Cb 0.00 -3.36 -0.08 0.00 0.01 0.00 0.00 42.46 39.02 2dzm s ILE 44 CO 0.00 0.54 1.33 -2.16 0.00 0.00 0.00 174.94 174.65 2dzm s PRO 45 N -0.42 4.37 0.63 2.79 0.04 -1.26 -3.93 135.00 137.22 2dzm s PRO 45 Ca 0.11 2.04 0.40 0.00 0.04 0.00 0.00 61.00 63.59 2dzm s PRO 45 Cb -0.12 -3.22 2.17 0.00 0.04 0.00 0.00 34.50 33.38 2dzm s PRO 45 CO 0.01 -0.31 2.22 0.28 0.04 0.00 0.00 177.00 179.25 2dzm h VAL 46 N 3.96 0.00 0.00 -0.36 2.07 -1.89 0.11 116.25 120.13 2dzm h VAL 46 Ca -0.44 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.05 2dzm h VAL 46 Cb 1.21 0.89 -0.00 0.00 -1.52 0.00 0.00 31.29 31.87 2dzm h VAL 46 CO 0.80 0.00 -0.14 0.28 0.02 0.00 0.00 177.57 178.53 2dzm h SER 47 N 0.00 0.00 -0.14 0.57 0.02 -1.99 -2.99 113.55 109.01 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 0.10 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.64 2dzm h SER 47 CO 0.00 0.14 0.00 0.29 -1.14 0.00 0.00 176.83 176.12 2dzm n LYS 48 N -3.20 1.60 -4.74 3.45 4.76 0.33 -4.95 118.16 115.41 2dzm n LYS 48 Ca 0.02 -1.65 -0.33 0.00 -2.87 0.00 0.00 58.31 53.47 2dzm n LYS 48 Cb 0.48 -1.32 -0.13 0.00 -1.84 0.00 0.00 35.03 32.22 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 -1.23 2.91 -0.31 1.97 -1.94 -0.94 -4.37 119.30 115.38 2dzm s MET 49 Ca 0.22 -0.63 0.03 0.00 -1.71 0.00 0.00 55.69 53.60 2dzm s MET 49 Cb 0.14 -2.56 0.08 0.00 2.01 0.00 0.00 34.83 34.51 2dzm s MET 49 CO 0.20 0.50 -0.01 -0.51 -0.01 0.00 0.00 175.02 175.20 2dzm s LEU 50 N -0.38 4.26 -0.01 -0.03 1.43 -1.23 -4.88 118.68 117.83 2dzm s LEU 50 Ca 0.05 -1.83 -0.30 0.00 -1.03 0.00 0.00 54.13 51.02 2dzm s LEU 50 Cb -0.12 -1.61 -0.07 0.00 0.03 0.00 0.00 46.19 44.42 2dzm s LEU 50 CO 0.02 -0.31 1.66 -0.22 0.23 0.00 0.00 176.35 177.73 2dzm s LEU 51 N 1.00 4.34 0.28 1.79 1.98 -1.26 -3.70 118.68 123.11 2dzm s LEU 51 Ca 0.03 2.33 0.03 0.00 -2.89 0.00 0.00 54.13 53.62 2dzm s LEU 51 Cb -0.20 -3.54 -0.04 0.00 0.66 0.00 0.00 46.19 43.07 2dzm s LEU 51 CO -0.06 -0.91 0.17 -0.54 -1.89 0.00 0.00 176.35 173.11 2dzm s LYS 52 N 3.59 1.53 0.00 1.98 1.02 -1.23 -4.87 119.74 121.75 2dzm s LYS 52 Ca 0.74 -1.86 0.00 0.00 0.02 0.00 0.00 55.97 54.87 2dzm s LYS 52 Cb -0.36 0.03 0.00 0.00 -0.52 0.00 0.00 37.83 36.98 2dzm s LYS 52 CO 0.31 -0.46 0.00 0.41 -0.92 0.00 0.00 175.35 174.69 2dzm n GLY 53 N -0.52 1.77 2.87 -3.33 0.00 -1.26 -3.72 105.19 101.00 2dzm n GLY 53 Ca 0.02 0.00 -0.52 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.13 1.31 -0.31 1.61 7.02 -1.26 -4.76 117.44 120.92 2dzm n TRP 54 Ca 0.00 0.88 0.03 0.00 -1.02 0.00 0.00 57.50 57.39 2dzm n TRP 54 Cb 0.00 -1.70 0.11 0.00 -2.42 0.00 0.00 31.31 27.29 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 3.77 -0.00 -5.06 -0.99 3.11 -1.96 -3.32 116.57 112.11 2dzm h LYS 55 Ca -0.34 0.00 -0.68 0.00 -2.81 0.00 0.00 60.65 56.83 2dzm h LYS 55 Cb 1.05 0.00 -0.17 0.00 -1.00 0.00 0.00 32.23 32.11 2dzm h LYS 55 CO 0.74 -0.00 -0.11 -0.08 -2.81 0.00 0.00 179.45 177.19 2dzm s THR 56 N -6.23 5.02 0.00 1.00 -1.32 -1.26 -5.00 115.64 107.85 2dzm s THR 56 Ca -0.15 -0.11 0.00 0.00 -1.21 0.00 0.00 61.69 60.22 2dzm s THR 56 Cb 0.24 -4.06 0.00 0.00 -1.51 0.00 0.00 72.50 67.17 2dzm s THR 56 CO 0.76 -0.42 0.00 0.61 -2.21 0.00 0.00 174.62 173.36 2dzm n GLY 57 N 5.04 1.01 3.38 6.08 0.00 -1.25 -4.21 105.19 115.24 2dzm n GLY 57 Ca -0.06 -0.16 -0.35 0.00 0.00 0.00 0.00 46.02 45.45 2dzm n GLY 57 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2dzm s ASP 58 N -2.80 4.60 0.21 1.61 -1.08 -1.26 -4.31 116.67 113.63 2dzm s ASP 58 Ca 0.00 -0.29 -0.22 0.00 -0.52 0.00 0.00 52.55 51.52 2dzm s ASP 58 Cb 0.00 -1.79 -0.08 0.00 -1.46 0.00 0.00 42.92 39.59 2dzm s ASP 58 CO 0.00 0.02 0.74 -0.69 0.52 0.00 0.00 175.17 175.76 2dzm s VAL 59 N 1.27 4.50 0.31 1.11 1.01 -1.26 -5.07 120.40 122.27 2dzm s VAL 59 Ca 0.04 1.43 -0.01 0.00 0.00 0.00 0.00 61.98 63.43 2dzm s VAL 59 Cb -0.15 -3.95 -0.04 0.00 0.00 0.00 0.00 36.38 32.25 2dzm s VAL 59 CO 0.00 0.31 0.52 -1.83 0.00 0.00 0.00 175.10 174.10 2dzm s GLU 60 N -1.71 3.53 0.00 2.72 -1.05 -1.26 -4.96 118.70 115.98 2dzm s GLU 60 Ca 0.41 -0.23 0.05 0.00 -0.15 0.00 0.00 54.97 55.05 2dzm s GLU 60 Cb -0.19 -2.69 0.22 0.00 -0.44 0.00 0.00 34.13 31.04 2dzm s GLU 60 CO 0.22 0.21 1.16 -0.40 0.95 0.00 0.00 175.26 177.41 2dzm n ASP 61 N -1.35 0.00 -0.58 0.83 5.75 -1.26 -1.16 116.55 118.78 2dzm n ASP 61 Ca -0.04 0.50 0.05 0.00 -0.01 0.00 0.00 54.79 55.30 2dzm n ASP 61 Cb 0.55 -0.50 0.15 0.00 -1.03 0.00 0.00 41.12 40.29 2dzm n ASP 61 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 2dzm n SER 62 N -1.50 1.70 -4.58 -1.12 7.64 -1.26 -4.03 113.62 110.47 2dzm n SER 62 Ca 0.01 -1.99 -0.32 0.00 1.01 0.00 0.00 58.87 57.59 2dzm n SER 62 Cb 0.06 -0.21 -0.11 0.00 -1.01 0.00 0.00 64.21 62.94 2dzm n SER 62 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2dzm s THR 63 N -1.58 3.54 0.02 0.44 2.01 -0.31 -5.04 115.64 114.71 2dzm s THR 63 Ca 0.22 -0.81 -0.03 0.00 0.31 0.00 0.00 61.69 61.37 2dzm s THR 63 Cb 0.11 -2.53 -0.04 0.00 0.01 0.00 0.00 72.50 70.05 2dzm s THR 63 CO 0.15 0.40 0.22 -0.69 -0.69 0.00 0.00 174.62 174.01 2dzm s VAL 64 N -0.98 5.37 0.13 3.82 1.01 -1.26 -1.02 120.40 127.48 2dzm s VAL 64 Ca 0.17 -0.11 -0.27 0.00 0.00 0.00 0.00 61.98 61.76 2dzm s VAL 64 Cb -0.11 -3.57 -0.04 0.00 0.00 0.00 0.00 36.38 32.66 2dzm s VAL 64 CO 0.07 0.27 1.60 -0.07 0.00 0.00 0.00 175.10 176.98 2dzm h LEU 65 N 3.63 -1.08 -0.99 3.92 3.38 -1.53 -1.07 115.31 121.57 2dzm h LEU 65 Ca -0.48 0.15 0.36 0.00 0.09 0.00 0.00 57.88 58.00 2dzm h LEU 65 Cb 1.18 0.45 -0.17 0.00 0.09 0.00 0.00 40.66 42.20 2dzm h LEU 65 CO 0.70 -0.39 0.41 0.07 0.09 0.00 0.00 178.44 179.32 2dzm h LYS 66 N -0.45 0.06 -0.74 1.13 2.10 0.06 0.99 116.57 119.72 2dzm h LYS 66 Ca 0.08 -0.00 0.10 0.00 -2.00 0.00 0.00 60.65 58.83 2dzm h LYS 66 Cb 0.58 -0.01 -0.07 0.00 -0.90 0.00 0.00 32.23 31.82 2dzm h LYS 66 CO -0.34 0.04 0.38 1.03 -2.00 0.00 0.00 179.45 178.55 2dzm h SER 67 N 0.06 0.49 1.28 7.07 0.87 -1.47 -0.68 113.55 121.17 2dzm h SER 67 Ca 0.76 0.06 0.00 0.00 -1.23 0.00 0.00 61.79 61.38 2dzm h SER 67 Cb 1.87 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 63.81 2dzm h SER 67 CO -0.78 0.27 -0.51 -0.07 -0.53 0.00 0.00 176.83 175.21 2dzm h LEU 68 N 0.62 0.00 -2.76 2.23 3.38 0.81 -3.48 115.31 116.11 2dzm h LEU 68 Ca 0.37 -0.06 -0.56 0.00 0.09 0.00 0.00 57.88 57.72 2dzm h LEU 68 Cb 0.40 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.08 2dzm h LEU 68 CO -0.28 0.03 -0.96 0.00 0.09 0.00 0.00 178.44 177.32 2dzm n HIS 69 N -2.57 -1.49 -1.40 1.13 1.44 0.97 -4.84 115.22 108.46 2dzm n HIS 69 Ca 0.03 0.46 -0.36 0.00 -2.01 0.00 0.00 57.72 55.83 2dzm n HIS 69 Cb 0.50 -3.12 0.07 0.00 0.12 0.00 0.00 29.99 27.56 2dzm n HIS 69 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 2dzm n LEU 70 N -4.63 2.55 -4.68 2.39 7.99 -1.26 -4.97 117.00 114.39 2dzm n LEU 70 Ca -0.23 0.68 -0.29 0.00 -0.01 0.00 0.00 56.01 56.17 2dzm n LEU 70 Cb 0.64 -1.33 0.18 0.00 -0.11 0.00 0.00 43.42 42.80 2dzm n LEU 70 CO 0.77 -2.40 0.64 -2.16 -1.51 0.00 0.00 177.39 172.73 2dzm s PRO 71 N -2.93 0.43 0.25 3.23 0.04 -1.26 -4.92 135.00 129.85 2dzm s PRO 71 Ca 0.71 0.53 -0.07 0.00 0.04 0.00 0.00 61.00 62.22 2dzm s PRO 71 Cb -0.37 -1.74 0.46 0.00 0.04 0.00 0.00 34.50 32.89 2dzm s PRO 71 CO 0.52 -2.74 1.62 -0.22 0.04 0.00 0.00 177.00 176.22 2dzm h LYS 72 N -1.90 0.07 -5.65 4.56 1.63 -1.93 -3.38 116.57 109.98 2dzm h LYS 72 Ca -0.54 -0.00 -0.66 0.00 -0.85 0.00 0.00 60.65 58.59 2dzm h LYS 72 Cb 1.33 -0.02 -0.22 0.00 -0.60 0.00 0.00 32.23 32.72 2dzm h LYS 72 CO 0.57 0.05 -0.70 1.21 -3.45 0.00 0.00 179.45 177.13 2dzm s ASN 73 N -5.18 4.53 0.13 4.20 3.84 -1.26 -2.90 114.94 118.30 2dzm s ASN 73 Ca -0.14 -0.14 0.09 0.00 0.21 0.00 0.00 52.86 52.89 2dzm s ASN 73 Cb 0.23 -1.49 -0.04 0.00 -0.55 0.00 0.00 41.25 39.41 2dzm s ASN 73 CO 0.76 0.24 -0.22 0.20 -2.79 0.00 0.00 177.10 175.29 2dzm s ASN 74 N -0.11 2.86 -0.23 -4.21 0.02 -0.36 -4.99 114.94 107.93 2dzm s ASN 74 Ca 0.01 -0.75 0.00 0.00 -1.02 0.00 0.00 52.86 51.10 2dzm s ASN 74 Cb -0.13 -0.18 0.06 0.00 0.02 0.00 0.00 41.25 41.02 2dzm s ASN 74 CO 0.03 0.08 -0.04 -0.94 0.02 0.00 0.00 177.10 176.26 2dzm s SER 75 N -2.15 3.70 0.40 -1.22 1.04 -1.26 -2.08 113.70 112.14 2dzm s SER 75 Ca 0.11 -1.13 0.05 0.00 0.48 0.00 0.00 55.95 55.46 2dzm s SER 75 Cb -0.09 -1.08 -0.06 0.00 0.10 0.00 0.00 66.02 64.89 2dzm s SER 75 CO 0.06 -0.25 0.03 -0.76 0.98 0.00 0.00 173.24 173.30 2dzm s LEU 76 N 1.47 2.49 -0.11 2.42 1.43 -0.11 -4.83 118.68 121.45 2dzm s LEU 76 Ca -0.05 -1.45 -0.22 0.00 -1.03 0.00 0.00 54.13 51.38 2dzm s LEU 76 Cb -0.19 -0.65 0.05 0.00 0.03 0.00 0.00 46.19 45.43 2dzm s LEU 76 CO -0.07 -0.61 0.53 -0.72 0.23 0.00 0.00 176.35 175.71 2dzm s TYR 77 N -2.95 -0.51 -0.15 0.29 1.13 -1.24 -1.01 117.35 112.90 2dzm s TYR 77 Ca 0.29 1.05 -0.06 0.00 -1.41 0.00 0.00 57.07 56.94 2dzm s TYR 77 Cb 0.07 0.24 -0.04 0.00 -1.10 0.00 0.00 41.96 41.14 2dzm s TYR 77 CO 0.14 -0.42 0.07 0.08 -2.51 0.00 0.00 175.55 172.91 2dzm s VAL 78 N -0.60 4.86 -0.24 -3.49 1.01 -1.21 -3.56 120.40 117.18 2dzm s VAL 78 Ca -0.07 -0.02 0.01 0.00 0.00 0.00 0.00 61.98 61.91 2dzm s VAL 78 Cb -0.03 -3.15 0.06 0.00 0.00 0.00 0.00 36.38 33.25 2dzm s VAL 78 CO 0.05 0.51 -0.08 -0.76 0.00 0.00 0.00 175.10 174.82 2dzm s LEU 79 N -0.11 2.82 -0.65 3.92 1.02 -1.24 -4.61 118.68 119.83 2dzm s LEU 79 Ca 0.07 -1.22 -0.10 0.00 0.02 0.00 0.00 54.13 52.91 2dzm s LEU 79 Cb -0.12 -1.30 0.17 0.00 0.02 0.00 0.00 46.19 44.96 2dzm s LEU 79 CO 0.01 -0.21 0.53 0.42 0.02 0.00 0.00 176.35 177.12 2dzm s THR 80 N 1.30 4.63 0.08 5.49 -4.23 -1.26 -3.54 115.64 118.11 2dzm s THR 80 Ca -0.06 -2.35 -0.17 0.00 -1.18 0.00 0.00 61.69 57.93 2dzm s THR 80 Cb -0.19 -3.96 -0.10 0.00 1.34 0.00 0.00 72.50 69.59 2dzm s THR 80 CO -0.06 -0.90 1.40 1.55 -0.54 0.00 0.00 174.62 176.07 2dzm h PRO 81 N 7.83 0.58 0.13 3.99 0.13 -1.98 -3.36 132.00 139.32 2dzm h PRO 81 Ca -0.05 -0.30 -0.01 0.00 -0.87 0.00 0.00 66.00 64.77 2dzm h PRO 81 Cb 1.03 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.17 2dzm h PRO 81 CO 0.79 0.90 -0.06 -0.44 -0.23 0.00 0.00 178.00 178.96 2dzm h ASP 82 N 0.29 -0.14 -1.69 1.44 5.19 -1.91 -3.45 116.42 116.14 2dzm h ASP 82 Ca 0.04 -0.04 -0.70 0.00 -0.62 0.00 0.00 57.03 55.71 2dzm h ASP 82 Cb 0.78 0.04 0.02 0.00 0.18 0.00 0.00 39.33 40.35 2dzm h ASP 82 CO 0.06 0.35 0.94 -0.11 -3.12 0.00 0.00 179.24 177.36 2dzm n LEU 83 N -4.89 2.67 -4.68 1.55 7.94 -1.26 -4.93 117.00 113.40 2dzm n LEU 83 Ca -0.03 1.05 -0.29 0.00 -1.11 0.00 0.00 56.01 55.64 2dzm n LEU 83 Cb 0.09 -1.21 0.18 0.00 0.53 0.00 0.00 43.42 43.00 2dzm n LEU 83 CO 0.07 -0.35 0.64 -2.16 -1.11 0.00 0.00 177.39 174.48 2dzm s PRO 84 N 3.54 0.45 0.88 1.96 0.04 -1.26 -4.86 135.00 135.74 2dzm s PRO 84 Ca 0.96 0.53 -0.11 0.00 0.04 0.00 0.00 61.00 62.42 2dzm s PRO 84 Cb -0.96 -1.74 0.12 0.00 0.04 0.00 0.00 34.50 31.96 2dzm s PRO 84 CO 0.61 -2.72 1.09 -1.25 0.04 0.00 0.00 177.00 174.77 2dzm s PRO 85 N -4.96 1.41 -0.24 0.56 0.04 -1.26 -4.95 135.00 125.60 2dzm s PRO 85 Ca 0.65 0.88 -0.29 0.00 0.04 0.00 0.00 61.00 62.28 2dzm s PRO 85 Cb -0.19 -1.82 -0.02 0.00 0.04 0.00 0.00 34.50 32.51 2dzm s PRO 85 CO 0.58 -2.15 1.63 -1.25 0.04 0.00 0.00 177.00 175.84 2dzm s PRO 86 N -4.93 3.73 -0.00 0.56 0.04 -1.26 -4.82 135.00 128.32 2dzm s PRO 86 Ca 0.63 1.59 0.03 0.00 0.04 0.00 0.00 61.00 63.29 2dzm s PRO 86 Cb -0.18 -4.05 -0.03 0.00 0.04 0.00 0.00 34.50 30.27 2dzm s PRO 86 CO 0.57 -1.37 0.08 -1.13 0.04 0.00 0.00 177.00 175.18 2dzm n SER 87 N 8.68 2.33 -4.13 6.66 3.41 -1.26 -4.94 113.62 124.38 2dzm n SER 87 Ca 0.19 -0.27 -0.34 0.00 -0.26 0.00 0.00 58.87 58.19 2dzm n SER 87 Cb 0.46 1.06 -0.14 0.00 -0.26 0.00 0.00 64.21 65.33 2dzm n SER 87 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2dzm s SER 88 N -1.79 4.89 -0.58 4.04 0.15 -1.26 -5.05 113.70 114.10 2dzm s SER 88 Ca -0.00 -1.56 -0.26 0.00 0.70 0.00 0.00 55.95 54.83 2dzm s SER 88 Cb 0.02 -1.70 -0.10 0.00 -1.71 0.00 0.00 66.02 62.53 2dzm s SER 88 CO 0.11 -0.32 2.43 -1.54 1.20 0.00 0.00 173.24 175.12 2dzm n SER 89 N 4.54 2.06 -4.54 5.45 3.41 -1.26 -4.88 113.62 118.40 2dzm n SER 89 Ca -0.09 -0.65 -0.41 0.00 -0.26 0.00 0.00 58.87 57.46 2dzm n SER 89 Cb 0.43 -1.55 -0.03 0.00 -0.26 0.00 0.00 64.21 62.80 2dzm n SER 89 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2dzm s SER 90 N 11.69 6.18 -0.28 4.04 0.15 -1.26 -4.99 113.70 129.24 2dzm s SER 90 Ca 1.00 -0.46 -0.08 0.00 0.70 0.00 0.00 55.95 57.11 2dzm s SER 90 Cb -0.24 -2.55 -0.02 0.00 -1.71 0.00 0.00 66.02 61.51 2dzm s SER 90 CO 0.25 -1.78 0.10 -1.38 1.20 0.00 0.00 173.24 171.63 2dzm s HIS 91 N 5.55 3.13 0.27 3.44 -3.43 -1.26 -4.98 115.29 118.02 2dzm s HIS 91 Ca 0.34 -0.56 -0.04 0.00 -0.80 0.00 0.00 55.06 54.01 2dzm s HIS 91 Cb -0.09 -2.29 0.36 0.00 -1.43 0.00 0.00 32.58 29.13 2dzm s HIS 91 CO 0.15 -0.43 1.92 0.00 -2.00 0.00 0.00 174.74 174.39 2dzm h ALA 92 N 8.28 1.32 0.00 -1.38 0.00 -2.04 -3.48 119.26 121.95 2dzm h ALA 92 Ca -0.35 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.47 2dzm h ALA 92 Cb 1.16 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.60 2dzm h ALA 92 CO 0.59 0.59 0.00 0.41 0.00 0.00 0.00 179.25 180.85 2dzm n GLY 93 N -1.29 0.64 3.37 0.00 0.00 -1.26 -4.99 105.19 101.66 2dzm n GLY 93 Ca 0.09 -1.61 -0.40 0.00 0.00 0.00 0.00 46.02 44.11 2dzm n GLY 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dzm n ALA 94 N 1.45 -2.07 -4.32 4.61 0.00 -1.26 -5.00 120.51 113.92 2dzm n ALA 94 Ca 0.00 0.03 -0.19 0.00 0.00 0.00 0.00 53.44 53.29 2dzm n ALA 94 Cb 0.00 -1.64 -0.04 0.00 0.00 0.00 0.00 19.45 17.77 2dzm n ALA 94 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 2dzm n LEU 95 N 1.55 0.00 -4.77 0.00 -0.00 -1.26 -5.14 117.00 107.38 2dzm n LEU 95 Ca 0.10 -1.91 -0.37 0.00 -0.00 0.00 0.00 56.01 53.83 2dzm n LEU 95 Cb 0.45 0.37 -0.06 0.00 -0.00 0.00 0.00 43.42 44.17 2dzm n LEU 95 CO 0.53 -0.28 0.03 -1.10 -0.00 0.00 0.00 177.39 176.57 2dzm s GLN 96 N -3.05 4.08 -0.81 1.47 -1.52 -1.26 -4.98 119.66 113.59 2dzm s GLN 96 Ca 0.05 0.22 -0.26 0.00 -1.95 0.00 0.00 55.36 53.42 2dzm s GLN 96 Cb 0.00 -3.34 -0.15 0.00 -0.22 0.00 0.00 33.01 29.30 2dzm s GLN 96 CO 0.03 0.42 2.39 -1.91 -0.25 0.00 0.00 175.29 175.97 2dzm n GLU 97 N 2.91 0.51 -3.50 2.91 2.13 -1.26 -4.77 120.64 119.58 2dzm n GLU 97 Ca -0.13 -0.90 0.00 0.00 0.66 0.00 0.00 57.16 56.80 2dzm n GLU 97 Cb 0.52 -3.67 -0.05 0.00 0.27 0.00 0.00 31.44 28.52 2dzm n GLU 97 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 2dzm s SER 98 N 10.53 -0.44 0.34 4.31 0.15 -1.26 -5.18 113.70 122.14 2dzm s SER 98 Ca 0.93 0.65 0.00 0.00 0.70 0.00 0.00 55.95 58.23 2dzm s SER 98 Cb -0.14 1.37 -0.01 0.00 -1.71 0.00 0.00 66.02 65.53 2dzm s SER 98 CO 0.10 -0.10 0.43 -1.48 1.20 0.00 0.00 173.24 173.39 2dzm s LEU 99 N 1.85 1.23 0.00 3.45 -0.00 -1.26 -5.20 118.68 118.75 2dzm s LEU 99 Ca -0.05 -1.57 0.32 0.00 -0.00 0.00 0.00 54.13 52.82 2dzm s LEU 99 Cb -0.04 1.23 1.90 0.00 -0.00 0.00 0.00 46.19 49.28 2dzm s LEU 99 CO -0.16 -1.25 2.22 0.59 -0.00 0.00 0.00 176.35 177.76