#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jdg s SER 2 N 0.00 -0.14 -0.03 1.61 0.15 -0.30 -4.28 113.70 110.71 2jdg s SER 2 Ca 0.00 0.81 0.05 0.00 0.70 0.00 0.00 55.95 57.51 2jdg s SER 2 Cb 0.00 0.94 -0.01 0.00 -1.71 0.00 0.00 66.02 65.24 2jdg s SER 2 CO 0.00 -0.22 -0.18 -0.51 1.20 0.00 0.00 173.24 173.53 2jdg s ILE 3 N 2.15 1.45 -0.20 6.45 2.07 -0.57 -0.92 121.20 131.63 2jdg s ILE 3 Ca -0.03 -0.76 0.00 0.00 -1.41 0.00 0.00 60.65 58.45 2jdg s ILE 3 Cb -0.11 -1.23 0.02 0.00 0.13 0.00 0.00 42.46 41.27 2jdg s ILE 3 CO -0.11 0.42 -0.15 -0.63 -1.91 0.00 0.00 174.94 172.55 2jdg s ILE 4 N -0.20 2.31 -0.05 2.00 -1.09 0.68 -1.20 121.20 123.64 2jdg s ILE 4 Ca 0.02 -1.01 -0.16 0.00 -2.23 0.00 0.00 60.65 57.27 2jdg s ILE 4 Cb -0.09 -2.06 -0.05 0.00 -1.58 0.00 0.00 42.46 38.67 2jdg s ILE 4 CO 0.01 0.40 0.43 -0.36 -1.23 0.00 0.00 174.94 174.19 2jdg s PHE 5 N 1.29 3.63 -0.02 3.97 0.08 0.10 -1.37 117.98 125.65 2jdg s PHE 5 Ca 0.02 0.93 0.04 0.00 0.12 0.00 0.00 56.93 58.05 2jdg s PHE 5 Cb -0.15 -2.39 -0.01 0.00 -0.57 0.00 0.00 43.02 39.91 2jdg s PHE 5 CO -0.10 0.44 -0.14 -0.51 -0.10 0.00 0.00 175.22 174.82 2jdg s LEU 6 N -0.36 1.94 0.14 -0.37 1.43 -0.46 0.31 118.68 121.31 2jdg s LEU 6 Ca 0.24 -0.27 -0.25 0.00 -1.03 0.00 0.00 54.13 52.82 2jdg s LEU 6 Cb -0.16 -0.76 -0.01 0.00 0.03 0.00 0.00 46.19 45.30 2jdg s LEU 6 CO 0.12 0.14 1.62 -0.33 0.23 0.00 0.00 176.35 178.13 2jdg h GLU 7 N 6.06 -0.35 -5.98 1.70 5.08 -1.43 -1.41 114.58 118.25 2jdg h GLU 7 Ca -0.34 0.02 -0.55 0.00 -1.00 0.00 0.00 59.36 57.49 2jdg h GLU 7 Cb 1.17 0.08 -0.05 0.00 0.50 0.00 0.00 28.75 30.44 2jdg h GLU 7 CO 0.48 -0.23 -0.37 -0.51 -1.00 0.00 0.00 179.01 177.38 2jdg s ASP 8 N -4.95 4.69 0.81 1.42 1.01 -0.20 -1.83 116.67 117.62 2jdg s ASP 8 Ca -0.15 -1.07 -0.12 0.00 0.71 0.00 0.00 52.55 51.92 2jdg s ASP 8 Cb 0.11 -0.07 0.09 0.00 1.01 0.00 0.00 42.92 44.06 2jdg s ASP 8 CO 0.66 -0.85 1.14 -0.13 0.21 0.00 0.00 175.17 176.21 2jdg s ARG 9 N -4.15 1.75 -1.39 8.23 0.52 -1.26 -3.30 118.95 119.34 2jdg s ARG 9 Ca 0.39 1.49 -0.02 0.00 -0.52 0.00 0.00 55.73 57.08 2jdg s ARG 9 Cb -0.01 -1.81 0.01 0.00 0.52 0.00 0.00 34.95 33.66 2jdg s ARG 9 CO 0.23 -2.08 0.16 0.00 0.02 0.00 0.00 175.30 173.63 2jdg n ALA 10 N -3.54 -0.80 -3.45 2.13 0.00 -0.08 -3.06 120.51 111.70 2jdg n ALA 10 Ca 0.11 0.15 -0.19 0.00 0.00 0.00 0.00 53.44 53.52 2jdg n ALA 10 Cb 0.52 -2.27 0.07 0.00 0.00 0.00 0.00 19.45 17.76 2jdg n ALA 10 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2jdg n PHE 11 N -3.83 -2.19 -4.31 0.00 3.01 -1.21 -5.03 117.46 103.89 2jdg n PHE 11 Ca -0.16 0.83 -0.23 0.00 1.01 0.00 0.00 57.45 58.91 2jdg n PHE 11 Cb 0.63 -4.41 -0.12 0.00 -0.01 0.00 0.00 39.48 35.57 2jdg n PHE 11 CO 0.00 0.00 0.00 1.14 1.01 0.00 0.00 176.76 178.91 2jdg s GLN 12 N -5.22 1.20 0.05 -1.08 -2.07 -1.17 -5.01 119.66 106.35 2jdg s GLN 12 Ca 0.22 -1.28 0.00 0.00 -1.82 0.00 0.00 55.36 52.48 2jdg s GLN 12 Cb -0.04 -1.37 0.00 0.00 -1.09 0.00 0.00 33.01 30.51 2jdg s GLN 12 CO 0.77 0.30 0.00 0.41 -1.32 0.00 0.00 175.29 175.45 2jdg n GLY 13 N 0.70 -1.80 3.77 2.60 0.00 -1.26 -1.04 105.19 108.16 2jdg n GLY 13 Ca -0.16 -2.01 -0.40 0.00 0.00 0.00 0.00 46.02 43.45 2jdg n GLY 13 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2jdg s ARG 14 N 0.00 4.09 0.02 1.61 0.52 -1.26 -4.76 118.95 119.17 2jdg s ARG 14 Ca 0.00 2.13 0.08 0.00 -0.52 0.00 0.00 55.73 57.41 2jdg s ARG 14 Cb 0.00 -2.83 -0.03 0.00 0.52 0.00 0.00 34.95 32.61 2jdg s ARG 14 CO 0.00 -0.38 -0.22 0.96 0.02 0.00 0.00 175.30 175.67 2jdg s ILE 15 N -1.25 2.43 -0.04 1.52 -4.36 -1.26 -1.54 121.20 116.70 2jdg s ILE 15 Ca 0.55 -1.21 -0.00 0.00 -0.26 0.00 0.00 60.65 59.73 2jdg s ILE 15 Cb -0.37 -1.96 0.03 0.00 1.25 0.00 0.00 42.46 41.41 2jdg s ILE 15 CO 0.48 0.42 0.01 -0.47 0.24 0.00 0.00 174.94 175.62 2jdg s TYR 16 N -0.80 0.31 0.09 1.37 5.04 0.15 -4.97 117.35 118.53 2jdg s TYR 16 Ca 0.12 0.02 0.04 0.00 -2.44 0.00 0.00 57.07 54.82 2jdg s TYR 16 Cb -0.10 -0.46 -0.04 0.00 0.35 0.00 0.00 41.96 41.71 2jdg s TYR 16 CO 0.02 -0.16 0.03 0.20 -1.34 0.00 0.00 175.55 174.31 2jdg s GLY 17 N 1.30 1.95 -0.03 8.97 0.00 -1.26 0.00 107.32 118.25 2jdg s GLY 17 Ca -0.06 -1.09 0.02 0.00 0.00 0.00 0.00 44.72 43.59 2jdg s GLY 17 CO -0.02 -1.07 -0.08 0.00 0.00 0.00 0.00 173.10 171.93 2jdg n THR 19 N 3.40 0.00 -3.87 0.00 -2.24 -1.26 -1.52 114.28 108.79 2jdg n THR 19 Ca -0.19 -0.45 -0.11 0.00 -2.27 0.00 0.00 64.05 61.04 2jdg n THR 19 Cb 0.54 1.19 0.01 0.00 -2.10 0.00 0.00 70.33 69.97 2jdg n THR 19 CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57 2jdg n THR 20 N 0.25 0.00 -1.72 4.28 5.66 -1.26 -4.54 114.28 116.95 2jdg n THR 20 Ca 0.06 -1.26 -0.42 0.00 -3.05 0.00 0.00 64.05 59.38 2jdg n THR 20 Cb 0.27 1.01 -0.01 0.00 -1.55 0.00 0.00 70.33 70.05 2jdg n THR 20 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 2jdg n ASP 21 N -1.56 3.21 -3.62 1.09 9.92 -1.26 -4.73 116.55 119.60 2jdg n ASP 21 Ca -0.05 1.19 -0.26 0.00 -0.53 0.00 0.00 54.79 55.14 2jdg n ASP 21 Cb 0.58 -1.53 -0.17 0.00 -0.64 0.00 0.00 41.12 39.36 2jdg n ASP 21 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2jdg h PRO 23 N 8.41 0.00 -1.51 0.00 0.11 -1.87 -2.08 132.00 135.07 2jdg h PRO 23 Ca -0.15 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.91 2jdg h PRO 23 Cb 1.15 0.00 -0.26 0.00 0.11 0.00 0.00 31.00 32.00 2jdg h PRO 23 CO 0.28 0.04 -0.40 1.21 -0.21 0.00 0.00 178.00 178.92 2jdg s ASN 24 N -5.75 -0.45 0.00 -2.05 2.47 -1.20 0.19 114.94 108.16 2jdg s ASN 24 Ca -0.03 0.45 0.25 0.00 0.42 0.00 0.00 52.86 53.94 2jdg s ASN 24 Cb 0.13 1.56 0.43 0.00 -1.45 0.00 0.00 41.25 41.91 2jdg s ASN 24 CO 0.51 -0.29 1.36 0.18 -3.72 0.00 0.00 177.10 175.15 2jdg n LEU 25 N 5.39 1.20 -0.12 3.21 4.77 0.20 -4.46 117.00 127.20 2jdg n LEU 25 Ca -0.02 -0.37 0.21 0.00 -0.03 0.00 0.00 56.01 55.79 2jdg n LEU 25 Cb 0.51 -0.10 0.62 0.00 -2.33 0.00 0.00 43.42 42.12 2jdg n LEU 25 CO 0.04 0.24 1.21 0.06 -1.33 0.00 0.00 177.39 177.61 2jdg h GLN 26 N 1.23 0.17 0.00 3.23 -0.00 -1.78 -0.44 115.11 117.52 2jdg h GLN 26 Ca 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 58.65 58.64 2jdg h GLN 26 Cb 0.57 -0.04 0.00 0.00 -0.00 0.00 0.00 27.48 28.01 2jdg h GLN 26 CO 0.00 0.11 0.00 -1.35 -0.00 0.00 0.00 178.83 177.59 2jdg h PRO 27 N 0.17 0.00 0.00 0.06 0.11 -1.97 -3.29 132.00 127.08 2jdg h PRO 27 Ca 0.35 0.00 -0.17 0.00 0.11 0.00 0.00 66.00 66.30 2jdg h PRO 27 Cb 1.14 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.22 2jdg h PRO 27 CO -0.06 0.00 -1.92 0.66 -0.21 0.00 0.00 178.00 176.47 2jdg n TYR 28 N -2.75 0.32 -3.59 0.65 4.01 -0.19 -5.00 117.16 110.61 2jdg n TYR 28 Ca 0.02 0.10 -0.16 0.00 -0.16 0.00 0.00 57.90 57.70 2jdg n TYR 28 Cb 0.34 -0.85 -0.07 0.00 -0.31 0.00 0.00 39.34 38.46 2jdg n TYR 28 CO 0.00 0.00 0.00 -0.59 -0.46 0.00 0.00 176.86 175.81 2jdg s PHE 29 N -3.01 -0.61 -0.64 -0.72 -0.71 -1.10 -5.00 117.98 106.18 2jdg s PHE 29 Ca -0.07 1.17 0.24 0.00 -1.04 0.00 0.00 56.93 57.23 2jdg s PHE 29 Cb 0.10 0.32 0.27 0.00 -1.21 0.00 0.00 43.02 42.50 2jdg s PHE 29 CO 0.85 -0.51 1.24 -1.13 -1.34 0.00 0.00 175.22 174.33 2jdg n SER 30 N 1.43 0.67 -3.55 1.98 3.41 -1.26 -4.45 113.62 111.84 2jdg n SER 30 Ca -0.18 0.02 -0.11 0.00 -0.26 0.00 0.00 58.87 58.34 2jdg n SER 30 Cb 0.56 0.34 -0.03 0.00 -0.26 0.00 0.00 64.21 64.83 2jdg n SER 30 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2jdg s ARG 31 N -3.17 1.33 -0.14 4.33 1.70 -1.26 -4.92 118.95 116.82 2jdg s ARG 31 Ca 0.06 -0.63 -0.04 0.00 -0.47 0.00 0.00 55.73 54.65 2jdg s ARG 31 Cb 0.14 0.57 0.06 0.00 -0.57 0.00 0.00 34.95 35.15 2jdg s ARG 31 CO 0.74 -0.58 0.15 0.00 -1.08 0.00 0.00 175.30 174.54 2jdg n ASN 33 N 5.31 1.86 -3.56 0.00 3.02 -0.54 -4.52 115.26 116.84 2jdg n ASN 33 Ca -0.05 -1.48 -0.14 0.00 -0.03 0.00 0.00 54.58 52.88 2jdg n ASN 33 Cb 0.50 -0.04 -0.06 0.00 -0.61 0.00 0.00 39.78 39.57 2jdg n ASN 33 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 2jdg s SER 34 N -0.71 -0.51 -0.03 6.41 1.04 -1.16 -3.17 113.70 115.57 2jdg s SER 34 Ca 0.10 0.60 -0.05 0.00 0.48 0.00 0.00 55.95 57.09 2jdg s SER 34 Cb 0.07 0.48 0.01 0.00 0.10 0.00 0.00 66.02 66.67 2jdg s SER 34 CO 0.09 -0.44 0.12 -0.63 0.98 0.00 0.00 173.24 173.37 2jdg s ILE 35 N -1.01 0.03 -0.18 -1.02 1.01 -0.31 -1.35 121.20 118.37 2jdg s ILE 35 Ca -0.05 -0.21 0.00 0.00 0.00 0.00 0.00 60.65 60.39 2jdg s ILE 35 Cb -0.01 -0.25 0.01 0.00 0.01 0.00 0.00 42.46 42.23 2jdg s ILE 35 CO 0.05 -0.11 -0.17 -0.69 0.00 0.00 0.00 174.94 174.02 2jdg s VAL 36 N -0.34 2.35 -0.44 2.92 1.01 -0.47 -0.55 120.40 124.88 2jdg s VAL 36 Ca -0.04 -0.85 -0.14 0.00 0.00 0.00 0.00 61.98 60.95 2jdg s VAL 36 Cb -0.03 -2.00 0.06 0.00 0.00 0.00 0.00 36.38 34.40 2jdg s VAL 36 CO 0.00 0.52 0.34 -0.69 0.00 0.00 0.00 175.10 175.27 2jdg s VAL 37 N 1.25 5.03 0.08 2.92 1.01 -0.17 -0.23 120.40 130.29 2jdg s VAL 37 Ca 0.03 -1.01 -0.10 0.00 0.00 0.00 0.00 61.98 60.90 2jdg s VAL 37 Cb -0.14 -3.95 -0.24 0.00 0.00 0.00 0.00 36.38 32.05 2jdg s VAL 37 CO -0.09 -0.48 1.19 1.56 0.00 0.00 0.00 175.10 177.27 2jdg h GLN 38 N 8.65 0.54 -2.30 2.72 4.20 -1.31 -0.68 115.11 126.92 2jdg h GLN 38 Ca -0.27 -0.66 -0.04 0.00 0.06 0.00 0.00 58.65 57.74 2jdg h GLN 38 Cb 1.11 0.21 -0.17 0.00 0.30 0.00 0.00 27.48 28.93 2jdg h GLN 38 CO 0.81 1.27 0.21 -1.54 -0.67 0.00 0.00 178.83 178.91 2jdg s SER 39 N -7.26 -0.62 0.00 1.46 1.04 -1.09 -4.86 113.70 102.36 2jdg s SER 39 Ca -0.08 0.47 0.00 0.00 0.48 0.00 0.00 55.95 56.83 2jdg s SER 39 Cb 0.07 0.55 0.00 0.00 0.10 0.00 0.00 66.02 66.74 2jdg s SER 39 CO 0.91 -0.71 0.00 0.61 0.98 0.00 0.00 173.24 175.02 2jdg n GLY 40 N 0.48 -0.32 3.40 7.32 0.00 -1.26 -1.15 105.19 113.66 2jdg n GLY 40 Ca -0.18 -1.75 -0.34 0.00 0.00 0.00 0.00 46.02 43.74 2jdg n GLY 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jdg s TRP 42 N 0.87 1.70 -0.16 0.00 0.52 0.07 -0.63 118.94 121.30 2jdg s TRP 42 Ca -0.01 -0.43 0.01 0.00 0.02 0.00 0.00 56.10 55.69 2jdg s TRP 42 Cb -0.15 -0.93 0.01 0.00 -1.15 0.00 0.00 33.47 31.25 2jdg s TRP 42 CO 0.01 0.19 -0.18 1.41 0.02 0.00 0.00 176.95 178.41 2jdg s MET 43 N -1.98 3.11 0.18 4.98 1.75 -0.91 0.41 119.30 126.83 2jdg s MET 43 Ca 0.06 -0.79 0.07 0.00 -1.25 0.00 0.00 55.69 53.78 2jdg s MET 43 Cb -0.10 -2.59 -0.04 0.00 2.84 0.00 0.00 34.83 34.95 2jdg s MET 43 CO 0.04 -0.07 0.03 0.96 -0.65 0.00 0.00 175.02 175.33 2jdg s ILE 44 N 1.01 3.87 0.06 10.11 -4.36 0.82 -1.62 121.20 131.08 2jdg s ILE 44 Ca -0.02 -1.38 0.06 0.00 -0.26 0.00 0.00 60.65 59.05 2jdg s ILE 44 Cb -0.15 -2.96 -0.03 0.00 1.25 0.00 0.00 42.46 40.58 2jdg s ILE 44 CO -0.04 -0.13 -0.16 -0.31 0.24 0.00 0.00 174.94 174.54 2jdg s TYR 45 N -1.77 1.41 0.37 1.37 1.51 0.88 -1.37 117.35 119.75 2jdg s TYR 45 Ca 0.28 -0.40 0.11 0.00 -1.01 0.00 0.00 57.07 56.06 2jdg s TYR 45 Cb -0.09 -0.81 0.71 0.00 -0.11 0.00 0.00 41.96 41.65 2jdg s TYR 45 CO 0.20 0.08 1.83 1.49 -1.11 0.00 0.00 175.55 178.04 2jdg h GLU 46 N 4.60 0.08 -5.87 -0.62 4.81 -1.44 0.53 114.58 116.67 2jdg h GLU 46 Ca -0.41 -0.03 -0.56 0.00 -0.13 0.00 0.00 59.36 58.23 2jdg h GLU 46 Cb 1.18 -0.01 -0.14 0.00 0.63 0.00 0.00 28.75 30.41 2jdg h GLU 46 CO 0.42 0.40 -0.71 1.03 -0.73 0.00 0.00 179.01 179.42 2jdg s ARG 47 N -4.31 1.63 0.94 1.92 1.81 -0.84 -3.82 118.95 116.27 2jdg s ARG 47 Ca -0.04 -1.79 -0.11 0.00 -1.72 0.00 0.00 55.73 52.07 2jdg s ARG 47 Cb 0.14 -1.51 0.16 0.00 -0.45 0.00 0.00 34.95 33.29 2jdg s ARG 47 CO 0.73 0.19 1.10 -2.14 -0.68 0.00 0.00 175.30 174.51 2jdg s PRO 48 N -3.61 0.86 -1.53 3.54 0.02 -1.26 -3.31 135.00 129.71 2jdg s PRO 48 Ca 0.29 1.22 -0.13 0.00 0.02 0.00 0.00 61.00 62.40 2jdg s PRO 48 Cb -0.00 -1.73 0.08 0.00 0.02 0.00 0.00 34.50 32.87 2jdg s PRO 48 CO 0.13 -2.63 0.98 0.09 -0.33 0.00 0.00 177.00 175.24 2jdg n ASN 49 N -4.20 -4.72 -3.15 2.53 3.02 0.51 -2.63 115.26 106.62 2jdg n ASN 49 Ca 0.09 -0.78 -0.23 0.00 -0.03 0.00 0.00 54.58 53.63 2jdg n ASN 49 Cb 0.53 -3.90 0.03 0.00 -0.61 0.00 0.00 39.78 35.83 2jdg n ASN 49 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 2jdg n TYR 50 N -4.68 -1.98 -3.54 3.10 4.01 -1.24 -5.00 117.16 107.83 2jdg n TYR 50 Ca 0.03 0.54 -0.22 0.00 -0.16 0.00 0.00 57.90 58.09 2jdg n TYR 50 Cb 0.53 -4.12 -0.01 0.00 -0.31 0.00 0.00 39.34 35.43 2jdg n TYR 50 CO 0.00 0.00 0.00 -0.65 -0.46 0.00 0.00 176.86 175.75 2jdg s GLN 51 N -5.83 2.47 1.47 -0.72 -1.52 -1.08 -5.01 119.66 109.43 2jdg s GLN 51 Ca 0.35 -1.63 0.00 0.00 -1.95 0.00 0.00 55.36 52.13 2jdg s GLN 51 Cb -0.16 -2.37 0.00 0.00 -0.22 0.00 0.00 33.01 30.26 2jdg s GLN 51 CO 0.43 -0.36 0.00 0.41 -0.25 0.00 0.00 175.29 175.52 2jdg n GLY 52 N -1.68 -1.73 3.71 3.09 0.00 -1.26 -1.99 105.19 105.33 2jdg n GLY 52 Ca 0.04 -1.34 -0.43 0.00 0.00 0.00 0.00 46.02 44.29 2jdg n GLY 52 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2jdg n HIS 53 N -0.12 2.48 -4.10 1.61 8.25 -1.26 -4.71 115.22 117.37 2jdg n HIS 53 Ca 0.00 0.41 -0.30 0.00 -0.26 0.00 0.00 57.72 57.57 2jdg n HIS 53 Cb 0.00 -2.50 -0.07 0.00 1.12 0.00 0.00 29.99 28.54 2jdg n HIS 53 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 2jdg s GLN 54 N -0.99 2.68 -0.07 -0.41 -0.21 -1.26 -1.78 119.66 117.62 2jdg s GLN 54 Ca 0.62 -0.80 -0.03 0.00 0.02 0.00 0.00 55.36 55.17 2jdg s GLN 54 Cb -0.57 -2.61 0.04 0.00 1.00 0.00 0.00 33.01 30.88 2jdg s GLN 54 CO 0.54 0.54 0.15 0.71 -2.12 0.00 0.00 175.29 175.11 2jdg s TYR 55 N -1.38 -0.17 -0.16 0.91 2.02 -0.47 -4.20 117.35 113.90 2jdg s TYR 55 Ca 0.27 0.49 -0.15 0.00 -0.37 0.00 0.00 57.07 57.31 2jdg s TYR 55 Cb -0.12 -0.08 -0.04 0.00 -0.40 0.00 0.00 41.96 41.32 2jdg s TYR 55 CO 0.20 -0.17 0.35 0.12 -1.57 0.00 0.00 175.55 174.49 2jdg s PHE 56 N 1.14 3.45 -0.04 2.71 5.36 -1.26 -0.13 117.98 129.21 2jdg s PHE 56 Ca -0.09 0.66 0.02 0.00 -0.96 0.00 0.00 56.93 56.56 2jdg s PHE 56 Cb -0.11 -2.42 0.01 0.00 -0.34 0.00 0.00 43.02 40.16 2jdg s PHE 56 CO -0.06 0.17 -0.08 -0.51 -1.46 0.00 0.00 175.22 173.29 2jdg s LEU 57 N 0.67 1.58 0.45 6.12 1.02 0.16 -4.99 118.68 123.70 2jdg s LEU 57 Ca 0.19 -0.18 0.06 0.00 0.02 0.00 0.00 54.13 54.22 2jdg s LEU 57 Cb -0.14 -0.56 -0.04 0.00 0.02 0.00 0.00 46.19 45.48 2jdg s LEU 57 CO 0.06 0.01 0.15 -0.13 0.02 0.00 0.00 176.35 176.47 2jdg s ARG 58 N 0.57 2.18 -0.01 1.70 0.52 -1.26 -0.75 118.95 121.89 2jdg s ARG 58 Ca -0.09 -2.02 -0.40 0.00 -0.52 0.00 0.00 55.73 52.70 2jdg s ARG 58 Cb -0.12 -1.86 -0.19 0.00 0.52 0.00 0.00 34.95 33.30 2jdg s ARG 58 CO 0.01 -0.23 1.19 -2.13 0.02 0.00 0.00 175.30 174.15 2jdg n ARG 59 N -1.28 0.32 -1.28 3.54 0.63 -1.25 -4.70 116.66 112.64 2jdg n ARG 59 Ca -0.05 0.12 0.00 0.00 -0.92 0.00 0.00 57.85 56.99 2jdg n ARG 59 Cb 0.65 -1.66 0.00 0.00 0.45 0.00 0.00 32.46 31.91 2jdg n ARG 59 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2jdg n GLY 60 N 1.97 -0.24 3.79 5.14 0.00 -0.26 -4.96 105.19 110.64 2jdg n GLY 60 Ca 0.20 -1.75 -0.35 0.00 0.00 0.00 0.00 46.02 44.13 2jdg n GLY 60 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2jdg s GLU 61 N -1.33 3.19 -0.37 1.61 2.02 -1.26 -1.00 118.70 121.55 2jdg s GLU 61 Ca 0.00 -0.34 0.01 0.00 0.02 0.00 0.00 54.97 54.66 2jdg s GLU 61 Cb 0.00 -2.96 0.12 0.00 0.10 0.00 0.00 34.13 31.38 2jdg s GLU 61 CO 0.00 0.71 0.15 0.71 0.02 0.00 0.00 175.26 176.85 2jdg s TYR 62 N -1.07 2.10 -0.26 1.61 1.51 0.29 -5.00 117.35 116.54 2jdg s TYR 62 Ca 0.18 -2.21 0.26 0.00 -1.01 0.00 0.00 57.07 54.29 2jdg s TYR 62 Cb -0.12 -1.96 1.17 0.00 -0.11 0.00 0.00 41.96 40.95 2jdg s TYR 62 CO 0.08 -0.84 1.79 -1.00 -1.11 0.00 0.00 175.55 174.46 2jdg h PRO 63 N 7.42 0.00 -3.40 -1.71 0.13 -1.87 -0.80 132.00 131.77 2jdg h PRO 63 Ca -0.07 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.02 2jdg h PRO 63 Cb 0.98 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 31.99 2jdg h PRO 63 CO 0.49 0.00 -0.05 0.16 -0.23 0.00 0.00 178.00 178.36 2jdg s ASP 64 N -4.49 -0.22 0.49 1.44 3.84 -1.21 -0.90 116.67 115.62 2jdg s ASP 64 Ca 0.02 -0.41 0.33 0.00 -0.00 0.00 0.00 52.55 52.49 2jdg s ASP 64 Cb 0.09 0.51 1.59 0.00 -1.38 0.00 0.00 42.92 43.73 2jdg s ASP 64 CO 0.38 -0.93 2.00 0.10 -0.00 0.00 0.00 175.17 176.72 2jdg h TYR 65 N 2.32 0.00 0.00 2.11 -0.00 -1.84 -1.24 116.97 118.32 2jdg h TYR 65 Ca -0.32 0.00 -0.02 0.00 0.00 0.00 0.00 58.73 58.39 2jdg h TYR 65 Cb 1.26 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 37.98 2jdg h TYR 65 CO 0.34 0.00 -0.09 1.96 -0.00 0.00 0.00 178.16 180.37 2jdg h GLN 66 N 0.00 0.00 0.00 0.10 7.50 -1.92 0.17 115.11 120.96 2jdg h GLN 66 Ca 0.00 0.00 -0.02 0.00 0.50 0.00 0.00 58.65 59.13 2jdg h GLN 66 Cb 0.24 0.00 -0.00 0.00 0.05 0.00 0.00 27.48 27.77 2jdg h GLN 66 CO 0.00 0.09 -0.07 1.96 -1.50 0.00 0.00 178.83 179.31 2jdg h GLN 67 N 0.00 0.00 -0.51 1.46 1.08 -1.59 0.20 115.11 115.75 2jdg h GLN 67 Ca -0.00 0.00 -0.15 0.00 -1.45 0.00 0.00 58.65 57.05 2jdg h GLN 67 Cb 0.65 0.00 -0.09 0.00 -0.05 0.00 0.00 27.48 27.99 2jdg h GLN 67 CO 0.01 0.07 0.12 -2.67 -0.95 0.00 0.00 178.83 175.42 2jdg n TRP 68 N -4.24 1.70 -3.52 2.96 2.14 -1.00 -4.91 117.44 110.57 2jdg n TRP 68 Ca -0.03 -1.21 -0.26 0.00 2.07 0.00 0.00 57.50 58.07 2jdg n TRP 68 Cb 0.16 -0.54 0.03 0.00 -0.81 0.00 0.00 31.31 30.15 2jdg n TRP 68 CO 0.00 0.00 0.00 -1.33 2.07 0.00 0.00 177.69 178.43 2jdg n MET 69 N -0.52 -5.19 -1.69 -2.67 2.81 0.70 -4.78 117.12 105.79 2jdg n MET 69 Ca 0.34 0.67 -0.30 0.00 -1.81 0.00 0.00 57.70 56.60 2jdg n MET 69 Cb 1.17 -5.54 0.07 0.00 -0.71 0.00 0.00 33.22 28.21 2jdg n MET 69 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 2jdg s GLY 70 N -3.02 1.63 -0.01 3.03 0.00 0.57 -4.97 107.32 104.56 2jdg s GLY 70 Ca 0.51 -0.25 0.14 0.00 0.00 0.00 0.00 44.72 45.11 2jdg s GLY 70 CO 0.62 0.15 0.44 1.04 0.00 0.00 0.00 173.10 175.35 2jdg n LEU 71 N -3.25 0.32 -3.83 0.66 4.77 -1.26 -4.53 117.00 109.88 2jdg n LEU 71 Ca 0.07 -0.25 -0.07 0.00 -0.03 0.00 0.00 56.01 55.72 2jdg n LEU 71 Cb 0.56 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.67 2jdg n LEU 71 CO 0.57 0.08 0.58 -0.94 -1.33 0.00 0.00 177.39 176.35 2jdg s SER 72 N -2.92 -0.07 -0.27 -1.43 1.04 -1.26 -5.03 113.70 103.76 2jdg s SER 72 Ca 0.00 -0.89 0.04 0.00 0.48 0.00 0.00 55.95 55.57 2jdg s SER 72 Cb 0.10 0.74 0.46 0.00 0.10 0.00 0.00 66.02 67.41 2jdg s SER 72 CO 0.56 -1.44 1.55 -0.90 0.98 0.00 0.00 173.24 173.99 2jdg n ASP 73 N -1.09 3.60 -4.45 7.02 5.68 -1.26 -4.85 116.55 121.20 2jdg n ASP 73 Ca -0.06 -2.98 -0.40 0.00 -0.50 0.00 0.00 54.79 50.85 2jdg n ASP 73 Cb 0.60 -0.71 -0.11 0.00 -1.14 0.00 0.00 41.12 39.76 2jdg n ASP 73 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 2jdg s SER 74 N -0.51 5.75 -0.17 -1.12 0.15 -1.26 -0.63 113.70 115.91 2jdg s SER 74 Ca 0.37 -0.63 -0.02 0.00 0.70 0.00 0.00 55.95 56.37 2jdg s SER 74 Cb 0.31 -2.05 0.05 0.00 -1.71 0.00 0.00 66.02 62.62 2jdg s SER 74 CO 0.08 -0.26 0.02 -0.63 1.20 0.00 0.00 173.24 173.65 2jdg s ILE 75 N 1.63 0.52 -0.20 6.45 -1.09 -1.26 -4.15 121.20 123.11 2jdg s ILE 75 Ca 0.04 -0.42 0.02 0.00 -2.23 0.00 0.00 60.65 58.07 2jdg s ILE 75 Cb -0.18 -0.94 0.02 0.00 -1.58 0.00 0.00 42.46 39.79 2jdg s ILE 75 CO 0.08 -0.09 0.70 0.54 -1.23 0.00 0.00 174.94 174.93 2jdg n ARG 76 N 5.06 0.34 -3.49 2.79 1.74 0.17 -4.68 116.66 118.59 2jdg n ARG 76 Ca -0.09 -0.89 -0.13 0.00 -0.77 0.00 0.00 57.85 55.97 2jdg n ARG 76 Cb 0.48 -1.04 -0.04 0.00 -1.02 0.00 0.00 32.46 30.84 2jdg n ARG 76 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 2jdg s SER 77 N -0.40 -0.52 0.08 0.55 1.04 -1.21 0.61 113.70 113.86 2jdg s SER 77 Ca 0.03 0.27 -0.21 0.00 0.48 0.00 0.00 55.95 56.52 2jdg s SER 77 Cb 0.02 0.49 0.05 0.00 0.10 0.00 0.00 66.02 66.67 2jdg s SER 77 CO 0.02 -0.69 0.50 0.00 0.98 0.00 0.00 173.24 174.06 2jdg s LEU 80 N 0.06 4.04 -0.15 0.00 2.96 -1.26 -2.15 118.68 122.19 2jdg s LEU 80 Ca -0.01 0.90 -0.29 0.00 -0.22 0.00 0.00 54.13 54.51 2jdg s LEU 80 Cb -0.02 -3.27 -0.03 0.00 0.50 0.00 0.00 46.19 43.37 2jdg s LEU 80 CO 0.01 -0.68 1.41 -0.63 -1.32 0.00 0.00 176.35 175.13 2jdg s ILE 81 N 3.16 4.02 -0.11 6.68 1.01 0.20 -4.92 121.20 131.24 2jdg s ILE 81 Ca 0.38 1.22 -0.38 0.00 0.00 0.00 0.00 60.65 61.87 2jdg s ILE 81 Cb -0.14 -3.83 -0.16 0.00 0.01 0.00 0.00 42.46 38.35 2jdg s ILE 81 CO 0.12 -0.15 1.60 -2.65 0.00 0.00 0.00 174.94 173.86 2jdg n PRO 82 N 6.89 1.25 -0.78 2.79 -0.02 -1.26 -4.58 135.00 139.29 2jdg n PRO 82 Ca 0.15 0.46 -0.33 0.00 -2.02 0.00 0.00 63.50 61.76 2jdg n PRO 82 Cb 0.44 -2.14 0.13 0.00 -0.02 0.00 0.00 33.50 31.91 2jdg n PRO 82 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2jdg n PRO 83 N 4.32 -0.39 -3.71 0.52 -0.02 -1.26 -4.91 135.00 129.54 2jdg n PRO 83 Ca 0.23 -0.07 -0.11 0.00 -2.02 0.00 0.00 63.50 61.52 2jdg n PRO 83 Cb 0.17 -1.88 -0.12 0.00 -0.02 0.00 0.00 33.50 31.65 2jdg n PRO 83 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 2jdg s HIS 84 N -2.40 -0.47 0.21 6.00 2.46 -1.26 -5.06 115.29 114.76 2jdg s HIS 84 Ca 0.57 1.04 0.06 0.00 0.47 0.00 0.00 55.06 57.21 2jdg s HIS 84 Cb -0.21 0.15 -0.04 0.00 -0.13 0.00 0.00 32.58 32.36 2jdg s HIS 84 CO 0.67 -0.29 0.16 -1.54 -2.47 0.00 0.00 174.74 171.26 2jdg s SER 85 N 1.38 5.48 0.00 9.88 1.04 -1.26 -5.01 113.70 125.21 2jdg s SER 85 Ca -0.09 -0.21 0.00 0.00 0.48 0.00 0.00 55.95 56.13 2jdg s SER 85 Cb -0.09 -1.40 0.00 0.00 0.10 0.00 0.00 66.02 64.63 2jdg s SER 85 CO -0.11 0.02 0.00 0.61 0.98 0.00 0.00 173.24 174.74 2jdg n GLY 86 N -0.75 -1.28 3.97 7.32 0.00 -1.26 -4.97 105.19 108.22 2jdg n GLY 86 Ca -0.08 -1.64 -0.21 0.00 0.00 0.00 0.00 46.02 44.09 2jdg n GLY 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jdg s ALA 87 N -1.55 3.98 0.01 4.61 0.00 -1.26 -5.11 121.76 122.44 2jdg s ALA 87 Ca 0.00 -1.25 0.03 0.00 0.00 0.00 0.00 51.96 50.74 2jdg s ALA 87 Cb 0.00 -1.93 -0.03 0.00 0.00 0.00 0.00 23.12 21.16 2jdg s ALA 87 CO 0.00 -0.24 -0.06 0.71 0.00 0.00 0.00 175.76 176.17 2jdg s TYR 88 N -2.40 2.90 -0.19 0.00 1.51 -1.26 -4.47 117.35 113.44 2jdg s TYR 88 Ca 0.47 -0.03 -0.23 0.00 -1.01 0.00 0.00 57.07 56.28 2jdg s TYR 88 Cb -0.10 -1.61 0.06 0.00 -0.11 0.00 0.00 41.96 40.20 2jdg s TYR 88 CO 0.35 0.38 0.62 0.50 -1.11 0.00 0.00 175.55 176.29 2jdg s ARG 89 N -1.45 0.77 -0.01 -0.62 3.52 -0.65 -4.26 118.95 116.24 2jdg s ARG 89 Ca 0.17 0.72 -0.29 0.00 -0.13 0.00 0.00 55.73 56.20 2jdg s ARG 89 Cb -0.11 0.37 0.08 0.00 -1.56 0.00 0.00 34.95 33.73 2jdg s ARG 89 CO 0.08 -0.13 0.70 0.00 -0.81 0.00 0.00 175.30 175.14 2jdg s MET 90 N 0.02 1.05 -0.10 5.12 0.23 -0.61 -1.31 119.30 123.69 2jdg s MET 90 Ca -0.02 0.08 0.02 0.00 -1.03 0.00 0.00 55.69 54.73 2jdg s MET 90 Cb -0.04 0.49 -0.02 0.00 -1.53 0.00 0.00 34.83 33.74 2jdg s MET 90 CO 0.02 -0.37 -0.15 0.15 -2.03 0.00 0.00 175.02 172.64 2jdg s LYS 91 N -1.79 3.10 0.04 3.16 1.02 -0.52 -1.00 119.74 123.74 2jdg s LYS 91 Ca -0.07 -0.72 0.03 0.00 0.02 0.00 0.00 55.97 55.23 2jdg s LYS 91 Cb -0.00 -2.51 -0.04 0.00 -0.52 0.00 0.00 37.83 34.76 2jdg s LYS 91 CO 0.04 0.31 -0.00 0.96 -0.92 0.00 0.00 175.35 175.74 2jdg s ILE 92 N 0.07 4.06 0.09 2.17 -4.36 -0.29 -0.63 121.20 122.31 2jdg s ILE 92 Ca -0.06 -0.77 0.07 0.00 -0.26 0.00 0.00 60.65 59.63 2jdg s ILE 92 Cb -0.15 -2.86 -0.03 0.00 1.25 0.00 0.00 42.46 40.67 2jdg s ILE 92 CO 0.05 0.27 -0.19 -0.31 0.24 0.00 0.00 174.94 175.00 2jdg s TYR 93 N -1.17 1.64 -1.65 1.37 1.51 0.14 -1.58 117.35 117.60 2jdg s TYR 93 Ca 0.22 -0.42 0.15 0.00 -1.01 0.00 0.00 57.07 56.00 2jdg s TYR 93 Cb -0.12 -0.91 0.50 0.00 -0.11 0.00 0.00 41.96 41.32 2jdg s TYR 93 CO 0.13 0.16 1.39 -0.40 -1.11 0.00 0.00 175.55 175.73 2jdg n ASP 94 N 1.19 3.20 -4.16 2.29 5.75 -1.16 -2.22 116.55 121.44 2jdg n ASP 94 Ca -0.20 -2.15 -0.10 0.00 -0.01 0.00 0.00 54.79 52.33 2jdg n ASP 94 Cb 0.54 -0.42 -0.10 0.00 -1.03 0.00 0.00 41.12 40.11 2jdg n ASP 94 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 2jdg s ARG 95 N -1.51 0.93 0.86 0.11 1.81 -1.16 -4.65 118.95 115.33 2jdg s ARG 95 Ca 0.36 -1.44 -0.09 0.00 -1.72 0.00 0.00 55.73 52.85 2jdg s ARG 95 Cb 0.21 0.16 0.17 0.00 -0.45 0.00 0.00 34.95 35.05 2jdg s ARG 95 CO 0.21 -0.23 1.18 0.16 -0.68 0.00 0.00 175.30 175.94 2jdg s ASP 96 N -3.06 3.63 -1.33 0.23 1.47 -1.26 -3.21 116.67 113.14 2jdg s ASP 96 Ca 0.23 -0.07 0.00 0.00 1.18 0.00 0.00 52.55 53.88 2jdg s ASP 96 Cb 0.07 -0.09 0.00 0.00 -0.34 0.00 0.00 42.92 42.56 2jdg s ASP 96 CO 0.01 -2.37 0.00 -0.62 0.68 0.00 0.00 175.17 172.87 2jdg n GLU 97 N -3.35 -1.88 -2.30 2.11 -0.58 0.12 -1.06 120.64 113.69 2jdg n GLU 97 Ca 0.16 0.75 -0.14 0.00 -0.42 0.00 0.00 57.16 57.50 2jdg n GLU 97 Cb 0.60 -5.27 -0.00 0.00 -0.57 0.00 0.00 31.44 26.19 2jdg n GLU 97 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 2jdg n LEU 98 N -2.62 -1.68 -5.00 -4.62 4.77 -1.26 -5.02 117.00 101.57 2jdg n LEU 98 Ca -0.17 -0.03 -0.18 0.00 -0.03 0.00 0.00 56.01 55.61 2jdg n LEU 98 Cb 0.59 -2.12 0.01 0.00 -2.33 0.00 0.00 43.42 39.57 2jdg n LEU 98 CO 0.21 -0.12 0.13 -0.13 -1.33 0.00 0.00 177.39 176.15 2jdg s ARG 99 N -4.74 2.92 0.94 3.23 0.52 -0.23 -5.02 118.95 116.58 2jdg s ARG 99 Ca 0.02 -1.13 0.00 0.00 -0.52 0.00 0.00 55.73 54.10 2jdg s ARG 99 Cb -0.01 -2.76 0.00 0.00 0.52 0.00 0.00 34.95 32.70 2jdg s ARG 99 CO 0.02 -0.18 0.00 0.41 0.02 0.00 0.00 175.30 175.57 2jdg n GLY 100 N -1.81 -1.97 3.71 -3.53 0.00 -1.26 -2.99 105.19 97.34 2jdg n GLY 100 Ca 0.05 -1.52 -0.42 0.00 0.00 0.00 0.00 46.02 44.13 2jdg n GLY 100 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2jdg s GLN 101 N 0.00 4.26 -0.05 1.61 0.74 -1.26 -4.80 119.66 120.17 2jdg s GLN 101 Ca 0.00 2.22 -0.04 0.00 0.05 0.00 0.00 55.36 57.60 2jdg s GLN 101 Cb 0.00 -3.22 -0.04 0.00 1.10 0.00 0.00 33.01 30.85 2jdg s GLN 101 CO 0.00 -0.54 0.15 1.41 -0.55 0.00 0.00 175.29 175.77 2jdg s MET 102 N 1.22 3.38 0.00 1.67 -2.45 -1.26 -3.00 119.30 118.86 2jdg s MET 102 Ca 0.68 -0.29 0.01 0.00 -1.25 0.00 0.00 55.69 54.84 2jdg s MET 102 Cb -0.40 -3.09 -0.01 0.00 1.25 0.00 0.00 34.83 32.58 2jdg s MET 102 CO 0.31 0.70 -0.04 -1.12 1.05 0.00 0.00 175.02 175.92 2jdg s SER 103 N -1.60 0.51 -0.01 1.11 0.01 -0.62 -4.96 113.70 108.14 2jdg s SER 103 Ca 0.23 -0.16 -0.12 0.00 1.31 0.00 0.00 55.95 57.20 2jdg s SER 103 Cb -0.12 -0.03 -0.05 0.00 0.21 0.00 0.00 66.02 66.02 2jdg s SER 103 CO 0.13 -0.01 0.36 -1.61 0.41 0.00 0.00 173.24 172.52 2jdg s GLU 104 N -0.38 3.80 -0.05 12.44 0.41 -1.26 -1.14 118.70 132.51 2jdg s GLU 104 Ca -0.01 0.27 -0.02 0.00 -0.41 0.00 0.00 54.97 54.81 2jdg s GLU 104 Cb -0.03 -3.18 0.03 0.00 -1.78 0.00 0.00 34.13 29.16 2jdg s GLU 104 CO -0.00 0.69 0.03 -1.17 -0.49 0.00 0.00 175.26 174.32 2jdg s LEU 105 N -1.19 0.37 0.00 1.80 2.96 -0.17 -4.98 118.68 117.47 2jdg s LEU 105 Ca 0.23 0.01 0.00 0.00 -0.22 0.00 0.00 54.13 54.15 2jdg s LEU 105 Cb -0.15 -0.27 0.00 0.00 0.50 0.00 0.00 46.19 46.26 2jdg s LEU 105 CO 0.12 -0.22 0.79 0.35 -1.32 0.00 0.00 176.35 176.07 2jdg n THR 106 N 5.19 0.62 -4.03 3.68 -2.24 -1.26 -1.58 114.28 114.66 2jdg n THR 106 Ca -0.06 -0.74 -0.14 0.00 -2.27 0.00 0.00 64.05 60.84 2jdg n THR 106 Cb 0.50 0.73 -0.02 0.00 -2.10 0.00 0.00 70.33 69.44 2jdg n THR 106 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 2jdg s ASP 107 N -0.62 0.87 0.73 3.42 -4.77 -1.26 -4.39 116.67 110.66 2jdg s ASP 107 Ca 0.00 -1.49 -0.14 0.00 -3.30 0.00 0.00 52.55 47.62 2jdg s ASP 107 Cb 0.00 0.73 0.04 0.00 -1.09 0.00 0.00 42.92 42.60 2jdg s ASP 107 CO 0.00 -1.42 1.16 -1.81 0.70 0.00 0.00 175.17 173.80 2jdg s ASP 108 N -3.23 4.33 -0.23 2.11 1.01 -1.26 -4.85 116.67 114.54 2jdg s ASP 108 Ca 0.28 2.19 -0.04 0.00 0.71 0.00 0.00 52.55 55.69 2jdg s ASP 108 Cb -0.02 -2.57 0.09 0.00 1.01 0.00 0.00 42.92 41.43 2jdg s ASP 108 CO 0.20 -2.16 0.14 0.00 0.21 0.00 0.00 175.17 173.56 2jdg h LEU 110 N 8.39 0.00 -6.63 0.00 3.38 -1.88 -1.07 115.31 117.49 2jdg h LEU 110 Ca -0.17 0.00 -0.37 0.00 0.09 0.00 0.00 57.88 57.43 2jdg h LEU 110 Cb 1.09 0.00 -0.35 0.00 0.09 0.00 0.00 40.66 41.49 2jdg h LEU 110 CO 0.35 0.26 -0.66 -0.55 0.09 0.00 0.00 178.44 177.93 2jdg s SER 111 N -6.28 1.97 0.40 -0.43 0.15 -1.25 -0.48 113.70 107.78 2jdg s SER 111 Ca -0.00 -0.73 0.07 0.00 0.70 0.00 0.00 55.95 55.99 2jdg s SER 111 Cb 0.11 0.30 0.84 0.00 -1.71 0.00 0.00 66.02 65.56 2jdg s SER 111 CO 0.65 -0.38 2.05 0.58 1.20 0.00 0.00 173.24 177.34 2jdg h VAL 112 N 6.30 1.11 0.23 4.45 2.07 -1.40 -1.13 116.25 127.89 2jdg h VAL 112 Ca -0.16 -0.21 -0.01 0.00 0.82 0.00 0.00 66.70 67.14 2jdg h VAL 112 Cb 1.08 0.49 0.00 0.00 -1.52 0.00 0.00 31.29 31.34 2jdg h VAL 112 CO 0.34 0.11 -0.11 -0.61 0.02 0.00 0.00 177.57 177.32 2jdg h GLN 113 N 0.58 -0.30 0.45 1.57 5.75 -1.78 0.53 115.11 121.92 2jdg h GLN 113 Ca 0.16 0.02 -0.02 0.00 -0.15 0.00 0.00 58.65 58.65 2jdg h GLN 113 Cb -0.06 0.07 0.00 0.00 1.07 0.00 0.00 27.48 28.56 2jdg h GLN 113 CO -0.03 -0.12 -0.22 0.22 -2.65 0.00 0.00 178.83 176.03 2jdg h ASP 114 N -0.41 -0.51 -0.09 -0.69 3.58 -1.76 0.59 116.42 117.13 2jdg h ASP 114 Ca -0.03 -0.01 -0.01 0.00 0.42 0.00 0.00 57.03 57.40 2jdg h ASP 114 Cb 0.31 0.13 -0.00 0.00 1.72 0.00 0.00 39.33 41.49 2jdg h ASP 114 CO 0.05 -0.33 0.03 -0.09 -2.88 0.00 0.00 179.24 176.03 2jdg h ARG 115 N -0.65 0.13 -0.00 0.28 9.65 -1.26 -3.35 114.38 119.17 2jdg h ARG 115 Ca -0.06 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.79 2jdg h ARG 115 Cb 0.49 -0.02 0.00 0.00 -1.39 0.00 0.00 29.97 29.05 2jdg h ARG 115 CO 0.10 0.27 -0.44 1.19 2.80 0.00 0.00 179.97 183.88 2jdg n PHE 116 N -4.92 0.00 -3.50 2.20 3.72 0.16 -4.99 117.46 110.13 2jdg n PHE 116 Ca -0.06 0.00 -0.21 0.00 -0.05 0.00 0.00 57.45 57.13 2jdg n PHE 116 Cb 0.12 0.00 0.08 0.00 -0.94 0.00 0.00 39.48 38.74 2jdg n PHE 116 CO 0.00 0.00 0.00 1.58 -0.05 0.00 0.00 176.76 178.29 2jdg n HIS 117 N -0.85 -2.59 -4.43 1.38 -0.00 0.21 -4.99 115.22 103.96 2jdg n HIS 117 Ca 0.03 0.95 -0.20 0.00 -0.00 0.00 0.00 57.72 58.50 2jdg n HIS 117 Cb 0.22 -4.84 -0.14 0.00 -0.00 0.00 0.00 29.99 25.23 2jdg n HIS 117 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 2jdg s LEU 118 N -6.77 2.08 -0.02 0.27 1.43 -1.23 -4.99 118.68 109.44 2jdg s LEU 118 Ca 0.43 -0.29 0.20 0.00 -1.03 0.00 0.00 54.13 53.44 2jdg s LEU 118 Cb -0.19 -0.56 -0.30 0.00 0.03 0.00 0.00 46.19 45.17 2jdg s LEU 118 CO 0.69 0.09 0.46 0.35 0.23 0.00 0.00 176.35 178.17 2jdg n THR 119 N 2.48 0.00 -4.04 5.49 -2.24 -1.26 -2.97 114.28 111.74 2jdg n THR 119 Ca -0.15 -0.42 -0.12 0.00 -2.27 0.00 0.00 64.05 61.09 2jdg n THR 119 Cb 0.56 0.12 -0.11 0.00 -2.10 0.00 0.00 70.33 68.79 2jdg n THR 119 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2jdg s GLU 120 N -3.32 0.45 -0.17 -0.78 2.02 -1.26 -2.51 118.70 113.13 2jdg s GLU 120 Ca -0.06 -0.68 0.01 0.00 0.02 0.00 0.00 54.97 54.25 2jdg s GLU 120 Cb 0.13 -0.16 0.03 0.00 0.10 0.00 0.00 34.13 34.22 2jdg s GLU 120 CO 0.81 0.02 -0.13 0.42 0.02 0.00 0.00 175.26 176.40 2jdg s ILE 121 N -1.35 1.63 -0.87 -1.63 1.01 -0.34 -4.85 121.20 114.80 2jdg s ILE 121 Ca -0.11 -0.78 0.24 0.00 0.00 0.00 0.00 60.65 60.00 2jdg s ILE 121 Cb -0.10 -1.58 -0.04 0.00 0.01 0.00 0.00 42.46 40.75 2jdg s ILE 121 CO -0.00 0.37 1.26 1.41 0.00 0.00 0.00 174.94 177.98 2jdg n HIS 122 N 4.73 0.13 -3.59 3.97 8.25 -0.94 -4.75 115.22 123.03 2jdg n HIS 122 Ca -0.16 0.04 -0.08 0.00 -0.26 0.00 0.00 57.72 57.25 2jdg n HIS 122 Cb 0.49 -0.32 -0.05 0.00 1.12 0.00 0.00 29.99 31.24 2jdg n HIS 122 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 2jdg s SER 123 N -3.36 -0.29 0.13 0.41 1.04 -1.20 -3.98 113.70 106.45 2jdg s SER 123 Ca 0.08 0.29 -0.17 0.00 0.48 0.00 0.00 55.95 56.63 2jdg s SER 123 Cb 0.16 0.24 0.04 0.00 0.10 0.00 0.00 66.02 66.57 2jdg s SER 123 CO 0.74 -0.29 0.43 -1.48 0.98 0.00 0.00 173.24 173.63 2jdg s LEU 124 N -1.22 0.24 -0.21 2.42 0.05 -0.69 0.24 118.68 119.51 2jdg s LEU 124 Ca 0.01 -0.26 -0.01 0.00 0.05 0.00 0.00 54.13 53.92 2jdg s LEU 124 Cb -0.01 1.96 0.06 0.00 -2.05 0.00 0.00 46.19 46.16 2jdg s LEU 124 CO -0.01 -0.87 -0.01 0.21 -0.55 0.00 0.00 176.35 175.12 2jdg s ASN 125 N -2.79 3.34 -0.43 1.48 3.04 0.19 -1.34 114.94 118.43 2jdg s ASN 125 Ca 0.03 -0.98 -0.26 0.00 0.04 0.00 0.00 52.86 51.69 2jdg s ASN 125 Cb 0.01 -0.88 0.02 0.00 -1.54 0.00 0.00 41.25 38.87 2jdg s ASN 125 CO -0.12 -0.27 0.95 -0.69 -3.04 0.00 0.00 177.10 173.93 2jdg s VAL 126 N 1.63 4.48 -0.17 -5.21 1.01 -0.19 -1.44 120.40 120.51 2jdg s VAL 126 Ca -0.03 0.95 -0.18 0.00 0.00 0.00 0.00 61.98 62.72 2jdg s VAL 126 Cb -0.18 -4.42 -0.22 0.00 0.00 0.00 0.00 36.38 31.56 2jdg s VAL 126 CO -0.07 -0.76 0.34 -0.07 0.00 0.00 0.00 175.10 174.54 2jdg h LEU 127 N 10.48 0.16 -7.84 3.92 3.38 -1.49 0.16 115.31 124.08 2jdg h LEU 127 Ca -0.24 -0.69 -0.34 0.00 0.09 0.00 0.00 57.88 56.70 2jdg h LEU 127 Cb 1.07 -0.05 -0.30 0.00 0.09 0.00 0.00 40.66 41.47 2jdg h LEU 127 CO 1.02 1.57 -0.76 -1.61 0.09 0.00 0.00 178.44 178.76 2jdg s GLU 128 N -2.42 0.47 0.06 1.13 0.41 -0.70 -4.84 118.70 112.81 2jdg s GLU 128 Ca -0.25 -0.14 0.00 0.00 -0.41 0.00 0.00 54.97 54.17 2jdg s GLU 128 Cb 0.05 -0.49 0.00 0.00 -1.78 0.00 0.00 34.13 31.92 2jdg s GLU 128 CO 0.67 0.05 0.00 0.41 -0.49 0.00 0.00 175.26 175.90 2jdg n GLY 129 N 3.28 -2.28 3.89 -1.39 0.00 -1.26 -1.64 105.19 105.80 2jdg n GLY 129 Ca -0.17 -1.44 -0.31 0.00 0.00 0.00 0.00 46.02 44.10 2jdg n GLY 129 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2jdg s SER 130 N -4.89 6.22 0.14 1.61 0.01 -1.26 -3.96 113.70 111.57 2jdg s SER 130 Ca 0.00 0.23 -0.00 0.00 1.31 0.00 0.00 55.95 57.49 2jdg s SER 130 Cb 0.00 -1.89 -0.04 0.00 0.21 0.00 0.00 66.02 64.30 2jdg s SER 130 CO 0.00 0.18 0.05 0.26 0.41 0.00 0.00 173.24 174.14 2jdg s TRP 131 N -1.47 0.94 -0.09 2.43 0.52 -0.46 0.04 118.94 120.84 2jdg s TRP 131 Ca 0.33 -1.20 0.04 0.00 0.02 0.00 0.00 56.10 55.29 2jdg s TRP 131 Cb -0.13 -0.53 -0.01 0.00 -1.15 0.00 0.00 33.47 31.66 2jdg s TRP 131 CO 0.26 -0.46 -0.21 0.42 0.02 0.00 0.00 176.95 176.97 2jdg s ILE 132 N -3.97 2.33 -0.14 2.03 -1.09 0.16 -0.29 121.20 120.22 2jdg s ILE 132 Ca 0.24 -0.94 -0.04 0.00 -2.23 0.00 0.00 60.65 57.69 2jdg s ILE 132 Cb 0.07 -1.90 -0.03 0.00 -1.58 0.00 0.00 42.46 39.02 2jdg s ILE 132 CO 0.02 0.56 -0.02 -0.22 -1.23 0.00 0.00 174.94 174.05 2jdg s LEU 133 N 0.14 3.38 0.05 2.97 0.20 -0.38 -1.20 118.68 123.84 2jdg s LEU 133 Ca -0.11 -0.05 0.08 0.00 0.69 0.00 0.00 54.13 54.74 2jdg s LEU 133 Cb -0.16 -1.81 -0.03 0.00 -0.43 0.00 0.00 46.19 43.76 2jdg s LEU 133 CO 0.06 0.22 -0.23 -0.31 -0.29 0.00 0.00 176.35 175.80 2jdg s TYR 134 N 0.09 2.42 0.21 5.38 2.02 -0.33 -1.19 117.35 125.96 2jdg s TYR 134 Ca 0.01 -0.34 0.10 0.00 -0.37 0.00 0.00 57.07 56.46 2jdg s TYR 134 Cb -0.13 -1.42 0.22 0.00 -0.40 0.00 0.00 41.96 40.23 2jdg s TYR 134 CO 0.02 0.19 1.53 1.05 -1.57 0.00 0.00 175.55 176.77 2jdg h GLU 135 N 4.64 0.00 -6.18 -0.62 4.11 -1.45 0.36 114.58 115.43 2jdg h GLU 135 Ca -0.47 0.00 -0.54 0.00 0.07 0.00 0.00 59.36 58.41 2jdg h GLU 135 Cb 1.15 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 30.32 2jdg h GLU 135 CO 0.45 0.70 -0.60 -1.64 0.07 0.00 0.00 179.01 177.99 2jdg s MET 136 N -3.34 2.44 0.90 1.06 -1.94 -0.78 -1.47 119.30 116.16 2jdg s MET 136 Ca -0.00 -1.36 -0.11 0.00 -1.71 0.00 0.00 55.69 52.50 2jdg s MET 136 Cb 0.12 -2.25 0.13 0.00 2.01 0.00 0.00 34.83 34.84 2jdg s MET 136 CO 0.77 0.33 1.09 -2.14 -0.01 0.00 0.00 175.02 175.06 2jdg s PRO 137 N -3.74 1.22 -1.58 2.03 0.02 -1.26 -3.09 135.00 128.61 2jdg s PRO 137 Ca 0.33 1.00 -0.05 0.00 0.02 0.00 0.00 61.00 62.31 2jdg s PRO 137 Cb -0.06 -1.79 0.01 0.00 0.02 0.00 0.00 34.50 32.67 2jdg s PRO 137 CO 0.21 -2.32 0.59 0.09 -0.33 0.00 0.00 177.00 175.25 2jdg n ASN 138 N -3.96 -6.16 -3.64 2.53 3.02 0.36 -3.07 115.26 104.35 2jdg n ASN 138 Ca 0.08 -0.28 -0.21 0.00 -0.03 0.00 0.00 54.58 54.14 2jdg n ASN 138 Cb 0.54 -4.98 0.05 0.00 -0.61 0.00 0.00 39.78 34.78 2jdg n ASN 138 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 2jdg n TYR 139 N -4.51 -2.10 -4.52 3.10 4.01 -1.25 -5.01 117.16 106.89 2jdg n TYR 139 Ca -0.12 0.89 -0.24 0.00 -0.16 0.00 0.00 57.90 58.26 2jdg n TYR 139 Cb 0.62 -4.60 -0.11 0.00 -0.31 0.00 0.00 39.34 34.95 2jdg n TYR 139 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 2jdg s ARG 140 N -5.88 1.76 1.88 -0.72 0.52 -1.17 -5.05 118.95 110.28 2jdg s ARG 140 Ca 0.10 -1.94 0.00 0.00 -0.52 0.00 0.00 55.73 53.37 2jdg s ARG 140 Cb -0.05 -1.37 0.00 0.00 0.52 0.00 0.00 34.95 34.05 2jdg s ARG 140 CO 0.78 -0.01 0.00 0.41 0.02 0.00 0.00 175.30 176.51 2jdg n GLY 141 N -0.77 -1.24 3.77 -3.53 0.00 -1.26 -1.87 105.19 100.29 2jdg n GLY 141 Ca -0.05 -1.38 -0.40 0.00 0.00 0.00 0.00 46.02 44.19 2jdg n GLY 141 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2jdg s ARG 142 N 0.00 4.34 0.09 1.61 0.52 -1.26 -4.79 118.95 119.46 2jdg s ARG 142 Ca 0.00 2.17 0.09 0.00 -0.52 0.00 0.00 55.73 57.47 2jdg s ARG 142 Cb 0.00 -3.04 -0.04 0.00 0.52 0.00 0.00 34.95 32.39 2jdg s ARG 142 CO 0.00 -0.19 -0.22 -0.65 0.02 0.00 0.00 175.30 174.27 2jdg s GLN 143 N -1.82 1.75 -0.05 3.54 -0.21 -1.26 -1.91 119.66 119.70 2jdg s GLN 143 Ca 0.49 -1.17 -0.02 0.00 0.02 0.00 0.00 55.36 54.69 2jdg s GLN 143 Cb -0.39 -2.06 0.04 0.00 1.00 0.00 0.00 33.01 31.60 2jdg s GLN 143 CO 0.51 0.49 0.09 0.71 -2.12 0.00 0.00 175.29 174.97 2jdg s TYR 144 N -1.02 -0.05 0.14 0.91 2.02 -0.33 -4.10 117.35 114.92 2jdg s TYR 144 Ca 0.15 0.33 -0.30 0.00 -0.37 0.00 0.00 57.07 56.88 2jdg s TYR 144 Cb -0.10 -0.24 -0.07 0.00 -0.40 0.00 0.00 41.96 41.15 2jdg s TYR 144 CO 0.07 -0.16 1.06 -1.17 -1.57 0.00 0.00 175.55 173.78 2jdg s LEU 145 N 1.49 4.48 -0.15 -1.29 2.96 -1.26 -1.25 118.68 123.65 2jdg s LEU 145 Ca -0.05 1.98 0.02 0.00 -0.22 0.00 0.00 54.13 55.86 2jdg s LEU 145 Cb -0.12 -3.60 0.01 0.00 0.50 0.00 0.00 46.19 42.98 2jdg s LEU 145 CO -0.04 -0.19 -0.19 -0.76 -1.32 0.00 0.00 176.35 173.84 2jdg s LEU 146 N -0.09 2.23 0.23 -0.68 1.43 0.60 -4.96 118.68 117.44 2jdg s LEU 146 Ca 0.49 -0.57 0.07 0.00 -1.03 0.00 0.00 54.13 53.10 2jdg s LEU 146 Cb -0.27 -1.49 -0.04 0.00 0.03 0.00 0.00 46.19 44.42 2jdg s LEU 146 CO 0.33 0.07 0.12 -0.13 0.23 0.00 0.00 176.35 176.96 2jdg s ARG 147 N 0.90 2.73 0.18 1.70 0.52 -1.26 -1.36 118.95 122.36 2jdg s ARG 147 Ca -0.04 -1.09 -0.33 0.00 -0.52 0.00 0.00 55.73 53.74 2jdg s ARG 147 Cb -0.15 -2.48 -0.15 0.00 0.52 0.00 0.00 34.95 32.69 2jdg s ARG 147 CO -0.03 0.42 1.33 -2.30 0.02 0.00 0.00 175.30 174.73 2jdg n PRO 148 N -0.81 1.57 0.00 3.54 -0.02 -1.25 -4.74 135.00 133.29 2jdg n PRO 148 Ca -0.08 0.56 0.00 0.00 -2.02 0.00 0.00 63.50 61.96 2jdg n PRO 148 Cb 0.57 -2.17 0.00 0.00 -0.02 0.00 0.00 33.50 31.88 2jdg n PRO 148 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2jdg n GLY 149 N 2.33 0.47 3.83 -1.23 0.00 0.55 -4.97 105.19 106.18 2jdg n GLY 149 Ca 0.15 -1.69 -0.36 0.00 0.00 0.00 0.00 46.02 44.11 2jdg n GLY 149 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2jdg s GLU 150 N -1.44 4.10 -0.43 1.61 2.02 -1.26 -1.03 118.70 122.27 2jdg s GLU 150 Ca 0.00 0.64 0.02 0.00 0.02 0.00 0.00 54.97 55.66 2jdg s GLU 150 Cb 0.00 -3.01 0.15 0.00 0.10 0.00 0.00 34.13 31.36 2jdg s GLU 150 CO 0.00 0.51 0.27 0.71 0.02 0.00 0.00 175.26 176.77 2jdg s TYR 151 N -1.37 1.58 -0.26 1.61 1.51 -0.45 -4.98 117.35 114.98 2jdg s TYR 151 Ca 0.36 -2.25 0.28 0.00 -1.01 0.00 0.00 57.07 54.45 2jdg s TYR 151 Cb -0.17 -1.48 1.07 0.00 -0.11 0.00 0.00 41.96 41.28 2jdg s TYR 151 CO 0.20 -0.78 1.82 0.00 -1.11 0.00 0.00 175.55 175.68 2jdg h ARG 152 N 6.47 0.00 -3.34 -0.62 3.08 -1.90 -1.83 114.38 116.24 2jdg h ARG 152 Ca 0.08 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 60.05 2jdg h ARG 152 Cb 0.92 0.00 -0.16 0.00 0.08 0.00 0.00 29.97 30.81 2jdg h ARG 152 CO 0.42 0.00 -0.21 -0.98 -1.07 0.00 0.00 179.97 178.12 2jdg s ARG 153 N -3.43 0.87 0.26 0.04 1.70 -1.26 -0.70 118.95 116.42 2jdg s ARG 153 Ca 0.04 -0.57 0.17 0.00 -0.47 0.00 0.00 55.73 54.89 2jdg s ARG 153 Cb 0.09 0.38 0.91 0.00 -0.57 0.00 0.00 34.95 35.76 2jdg s ARG 153 CO 0.50 -0.29 1.50 1.97 -1.08 0.00 0.00 175.30 177.90 2jdg n PHE 154 N 0.36 0.57 0.14 5.89 1.16 -1.26 -0.01 117.46 124.31 2jdg n PHE 154 Ca -0.18 0.30 -0.01 0.00 -1.87 0.00 0.00 57.45 55.69 2jdg n PHE 154 Cb 0.61 -0.96 0.22 0.00 -1.61 0.00 0.00 39.48 37.74 2jdg n PHE 154 CO 0.00 0.00 0.00 -0.07 -1.87 0.00 0.00 176.76 174.82 2jdg h LEU 155 N 0.00 0.08 -2.28 5.98 3.38 -1.92 -2.85 115.31 117.70 2jdg h LEU 155 Ca 0.00 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 2jdg h LEU 155 Cb 0.04 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 40.77 2jdg h LEU 155 CO 0.00 0.58 -0.01 0.44 0.09 0.00 0.00 178.44 179.54 2jdg h ASP 156 N 0.05 0.00 -0.23 -0.43 3.32 -0.81 -1.04 116.42 117.29 2jdg h ASP 156 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2jdg h ASP 156 Cb 0.94 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.49 2jdg h ASP 156 CO 0.07 0.01 0.00 -2.67 -1.72 0.00 0.00 179.24 174.93 2jdg n TRP 157 N -4.05 0.29 -0.64 4.55 2.14 -1.14 -5.00 117.44 113.59 2jdg n TRP 157 Ca -0.03 -0.21 0.00 0.00 2.07 0.00 0.00 57.50 59.33 2jdg n TRP 157 Cb 0.10 -0.01 0.00 0.00 -0.81 0.00 0.00 31.31 30.59 2jdg n TRP 157 CO 0.00 0.00 0.00 0.41 2.07 0.00 0.00 177.69 180.17 2jdg n GLY 158 N 0.94 0.76 3.86 -1.67 0.00 -0.39 -4.76 105.19 103.92 2jdg n GLY 158 Ca 0.13 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.84 2jdg n GLY 158 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jdg s ALA 159 N -2.71 3.01 -0.97 4.61 0.00 -1.09 -4.96 121.76 119.65 2jdg s ALA 159 Ca 0.00 -0.05 0.28 0.00 0.00 0.00 0.00 51.96 52.19 2jdg s ALA 159 Cb 0.00 -3.10 1.17 0.00 0.00 0.00 0.00 23.12 21.19 2jdg s ALA 159 CO 0.00 -0.80 1.90 -2.30 0.00 0.00 0.00 175.76 174.56 2jdg n PRO 160 N -2.81 0.03 -2.74 0.00 -0.02 -1.26 -4.52 135.00 123.67 2jdg n PRO 160 Ca 0.06 0.03 -0.03 0.00 -2.02 0.00 0.00 63.50 61.55 2jdg n PRO 160 Cb 0.54 -1.53 0.01 0.00 -0.02 0.00 0.00 33.50 32.50 2jdg n PRO 160 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 2jdg n ASN 161 N -1.58 -1.12 -1.22 2.55 0.23 -1.26 -5.06 115.26 107.80 2jdg n ASN 161 Ca 0.07 -1.67 0.08 0.00 -0.53 0.00 0.00 54.58 52.53 2jdg n ASN 161 Cb 0.34 1.85 0.27 0.00 -2.08 0.00 0.00 39.78 40.16 2jdg n ASN 161 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2jdg n ALA 162 N -1.67 2.72 -2.29 -2.53 0.00 -1.26 -4.87 120.51 110.61 2jdg n ALA 162 Ca -0.09 -1.15 -0.42 0.00 0.00 0.00 0.00 53.44 51.78 2jdg n ALA 162 Cb 0.34 -0.99 -0.03 0.00 0.00 0.00 0.00 19.45 18.77 2jdg n ALA 162 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2jdg s LYS 163 N -1.53 4.38 -0.03 0.00 1.02 -1.26 -1.20 119.74 121.12 2jdg s LYS 163 Ca 0.40 1.92 -0.00 0.00 0.02 0.00 0.00 55.97 58.31 2jdg s LYS 163 Cb 0.24 -3.30 0.03 0.00 -0.52 0.00 0.00 37.83 34.28 2jdg s LYS 163 CO 0.23 -0.34 0.03 0.08 -0.92 0.00 0.00 175.35 174.42 2jdg s VAL 164 N 1.05 0.03 -0.19 3.17 1.01 -1.04 -4.62 120.40 119.81 2jdg s VAL 164 Ca 0.61 0.22 0.10 0.00 0.00 0.00 0.00 61.98 62.91 2jdg s VAL 164 Cb -0.33 -0.18 -0.19 0.00 0.00 0.00 0.00 36.38 35.68 2jdg s VAL 164 CO 0.30 0.14 -0.03 0.61 0.00 0.00 0.00 175.10 176.11 2jdg n GLY 165 N 4.47 -0.65 3.39 4.51 0.00 0.12 -4.62 105.19 112.41 2jdg n GLY 165 Ca -0.21 -0.24 -0.13 0.00 0.00 0.00 0.00 46.02 45.44 2jdg n GLY 165 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2jdg s SER 166 N -5.49 -0.44 -0.04 1.61 1.04 -1.11 -1.20 113.70 108.07 2jdg s SER 166 Ca -0.16 0.13 0.04 0.00 0.48 0.00 0.00 55.95 56.43 2jdg s SER 166 Cb 0.06 0.50 0.00 0.00 0.10 0.00 0.00 66.02 66.68 2jdg s SER 166 CO 0.63 -0.75 -0.14 -0.76 0.98 0.00 0.00 173.24 173.20 2jdg s LEU 167 N -2.10 1.85 -0.04 2.42 1.43 -0.41 -1.19 118.68 120.65 2jdg s LEU 167 Ca -0.04 -0.30 0.02 0.00 -1.03 0.00 0.00 54.13 52.78 2jdg s LEU 167 Cb -0.00 -0.83 0.01 0.00 0.03 0.00 0.00 46.19 45.40 2jdg s LEU 167 CO -0.03 0.12 -0.08 -0.60 0.23 0.00 0.00 176.35 175.98 2jdg s ARG 168 N 0.14 1.11 0.31 1.70 3.52 -0.34 -0.43 118.95 124.95 2jdg s ARG 168 Ca -0.04 -0.25 -0.29 0.00 -0.13 0.00 0.00 55.73 55.02 2jdg s ARG 168 Cb -0.11 -1.01 -0.10 0.00 -1.56 0.00 0.00 34.95 32.18 2jdg s ARG 168 CO 0.02 0.01 1.14 1.03 -0.81 0.00 0.00 175.30 176.69 2jdg s ARG 169 N 0.62 4.50 -0.40 5.12 0.52 -1.26 0.36 118.95 128.41 2jdg s ARG 169 Ca -0.10 1.88 -0.23 0.00 -0.52 0.00 0.00 55.73 56.75 2jdg s ARG 169 Cb -0.13 -3.08 0.02 0.00 0.52 0.00 0.00 34.95 32.28 2jdg s ARG 169 CO 0.01 0.06 0.77 0.08 0.02 0.00 0.00 175.30 176.25 2jdg s VAL 170 N -1.21 4.71 0.18 3.52 1.01 0.11 -4.82 120.40 123.89 2jdg s VAL 170 Ca 0.47 0.67 -0.17 0.00 0.00 0.00 0.00 61.98 62.96 2jdg s VAL 170 Cb -0.33 -4.25 0.03 0.00 0.00 0.00 0.00 36.38 31.83 2jdg s VAL 170 CO 0.42 -0.55 0.48 0.00 0.00 0.00 0.00 175.10 175.46 2jdg s MET 171 N 3.16 1.31 0.00 2.72 0.00 -1.26 -4.69 119.30 120.53 2jdg s MET 171 Ca 0.30 -0.86 0.00 0.00 0.00 0.00 0.00 55.69 55.13 2jdg s MET 171 Cb -0.13 0.50 0.00 0.00 0.00 0.00 0.00 34.83 35.20 2jdg s MET 171 CO 0.19 -0.54 0.00 -0.25 0.00 0.00 0.00 175.02 174.42