#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jdf s LYS 2 N 0.00 0.45 0.01 1.61 2.20 -0.01 -4.41 119.74 119.59 2jdf s LYS 2 Ca 0.00 0.96 0.02 0.00 -0.36 0.00 0.00 55.97 56.59 2jdf s LYS 2 Cb 0.00 0.13 -0.01 0.00 -1.51 0.00 0.00 37.83 36.44 2jdf s LYS 2 CO 0.00 -0.18 -0.07 -1.50 -0.36 0.00 0.00 175.35 173.25 2jdf s ILE 3 N 1.77 0.50 -0.09 5.43 2.07 -0.30 -0.94 121.20 129.64 2jdf s ILE 3 Ca -0.08 -0.48 0.02 0.00 -1.41 0.00 0.00 60.65 58.70 2jdf s ILE 3 Cb -0.09 -0.47 0.02 0.00 0.13 0.00 0.00 42.46 42.05 2jdf s ILE 3 CO -0.14 -0.00 -0.13 -0.89 -1.91 0.00 0.00 174.94 171.86 2jdf s THR 4 N -0.47 1.31 -0.12 4.00 2.01 0.19 -0.47 115.64 122.08 2jdf s THR 4 Ca -0.01 -0.53 -0.09 0.00 0.31 0.00 0.00 61.69 61.37 2jdf s THR 4 Cb -0.04 -1.21 -0.04 0.00 0.01 0.00 0.00 72.50 71.21 2jdf s THR 4 CO -0.00 0.40 0.19 -0.36 -0.69 0.00 0.00 174.62 174.16 2jdf s PHE 5 N 0.99 3.57 -0.05 4.92 0.08 -0.18 -1.52 117.98 125.79 2jdf s PHE 5 Ca -0.07 0.55 0.05 0.00 0.12 0.00 0.00 56.93 57.58 2jdf s PHE 5 Cb -0.15 -2.06 -0.01 0.00 -0.57 0.00 0.00 43.02 40.23 2jdf s PHE 5 CO -0.01 0.59 -0.22 0.71 -0.10 0.00 0.00 175.22 176.20 2jdf s TYR 6 N -0.63 2.12 0.35 0.36 1.51 -0.38 -1.47 117.35 119.21 2jdf s TYR 6 Ca 0.15 -0.61 0.07 0.00 -1.01 0.00 0.00 57.07 55.67 2jdf s TYR 6 Cb -0.12 -1.40 0.67 0.00 -0.11 0.00 0.00 41.96 40.99 2jdf s TYR 6 CO 0.04 -0.18 1.87 0.93 -1.11 0.00 0.00 175.55 177.10 2jdf h GLU 7 N 6.10 0.36 -6.02 -0.62 5.08 -1.28 -0.07 114.58 118.14 2jdf h GLU 7 Ca -0.33 -0.09 -0.57 0.00 -1.00 0.00 0.00 59.36 57.38 2jdf h GLU 7 Cb 1.17 -0.05 -0.09 0.00 0.50 0.00 0.00 28.75 30.28 2jdf h GLU 7 CO 0.47 0.48 -0.57 -0.51 -1.00 0.00 0.00 179.01 177.89 2jdf s ASP 8 N -6.82 4.40 0.85 1.42 1.01 -0.64 -2.99 116.67 113.90 2jdf s ASP 8 Ca -0.06 -0.94 -0.11 0.00 0.71 0.00 0.00 52.55 52.15 2jdf s ASP 8 Cb 0.15 -0.59 0.11 0.00 1.01 0.00 0.00 42.92 43.60 2jdf s ASP 8 CO 0.75 -0.32 1.10 0.00 0.21 0.00 0.00 175.17 176.91 2jdf s ARG 9 N -3.80 1.58 -1.51 8.23 1.70 -1.26 -3.18 118.95 120.72 2jdf s ARG 9 Ca 0.37 1.09 -0.05 0.00 -0.47 0.00 0.00 55.73 56.67 2jdf s ARG 9 Cb -0.00 -1.83 0.02 0.00 -0.57 0.00 0.00 34.95 32.57 2jdf s ARG 9 CO 0.21 -2.09 0.55 0.00 -1.08 0.00 0.00 175.30 172.89 2jdf n ALA 10 N -3.82 -0.97 -3.46 7.88 0.00 -0.03 -2.65 120.51 117.46 2jdf n ALA 10 Ca 0.08 0.24 -0.21 0.00 0.00 0.00 0.00 53.44 53.56 2jdf n ALA 10 Cb 0.54 -3.57 0.07 0.00 0.00 0.00 0.00 19.45 16.49 2jdf n ALA 10 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2jdf n PHE 11 N -4.36 -2.53 -4.05 0.00 3.72 -1.25 -5.02 117.46 103.97 2jdf n PHE 11 Ca -0.10 0.90 -0.22 0.00 -0.05 0.00 0.00 57.45 57.98 2jdf n PHE 11 Cb 0.61 -4.62 -0.05 0.00 -0.94 0.00 0.00 39.48 34.48 2jdf n PHE 11 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 2jdf s GLN 12 N -6.10 2.57 0.84 -1.08 -0.21 -1.08 -5.02 119.66 109.57 2jdf s GLN 12 Ca 0.48 -1.36 0.00 0.00 0.02 0.00 0.00 55.36 54.51 2jdf s GLN 12 Cb -0.21 -2.34 0.00 0.00 1.00 0.00 0.00 33.01 31.46 2jdf s GLN 12 CO 0.65 0.20 0.00 0.41 -2.12 0.00 0.00 175.29 174.43 2jdf n GLY 13 N -1.18 -2.09 3.77 3.09 0.00 -1.26 -1.62 105.19 105.90 2jdf n GLY 13 Ca -0.04 -1.43 -0.40 0.00 0.00 0.00 0.00 46.02 44.15 2jdf n GLY 13 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2jdf s ARG 14 N -0.22 3.75 0.25 1.61 0.52 -1.26 -4.67 118.95 118.93 2jdf s ARG 14 Ca 0.00 2.31 0.03 0.00 -0.52 0.00 0.00 55.73 57.55 2jdf s ARG 14 Cb 0.00 -2.66 -0.05 0.00 0.52 0.00 0.00 34.95 32.76 2jdf s ARG 14 CO 0.00 -0.73 0.04 -1.54 0.02 0.00 0.00 175.30 173.09 2jdf s SER 15 N -0.62 1.65 -0.12 0.23 1.04 -1.26 -1.38 113.70 113.23 2jdf s SER 15 Ca 0.60 -1.29 -0.06 0.00 0.48 0.00 0.00 55.95 55.68 2jdf s SER 15 Cb -0.41 0.05 0.05 0.00 0.10 0.00 0.00 66.02 65.81 2jdf s SER 15 CO 0.53 -0.60 0.28 -0.47 0.98 0.00 0.00 173.24 173.95 2jdf s TYR 16 N -3.53 -0.37 -0.14 5.02 5.04 -0.54 -4.98 117.35 117.85 2jdf s TYR 16 Ca 0.32 0.87 -0.05 0.00 -2.44 0.00 0.00 57.07 55.77 2jdf s TYR 16 Cb 0.07 0.09 -0.04 0.00 0.35 0.00 0.00 41.96 42.44 2jdf s TYR 16 CO 0.11 -0.24 0.04 -2.00 -1.34 0.00 0.00 175.55 172.12 2jdf s GLU 17 N 1.14 3.53 0.02 4.97 2.12 -1.26 -1.01 118.70 128.21 2jdf s GLU 17 Ca -0.08 -0.35 0.07 0.00 0.36 0.00 0.00 54.97 54.96 2jdf s GLU 17 Cb -0.09 -3.04 -0.02 0.00 0.26 0.00 0.00 34.13 31.24 2jdf s GLU 17 CO -0.08 0.49 -0.20 0.00 -0.54 0.00 0.00 175.26 174.94 2jdf n THR 19 N 2.16 0.69 -3.90 0.00 -2.24 -1.26 -1.15 114.28 108.58 2jdf n THR 19 Ca -0.16 -0.75 -0.11 0.00 -2.27 0.00 0.00 64.05 60.75 2jdf n THR 19 Cb 0.53 0.53 0.00 0.00 -2.10 0.00 0.00 70.33 69.30 2jdf n THR 19 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2jdf s THR 20 N -0.86 0.00 0.75 4.28 -1.32 -1.26 -4.51 115.64 112.72 2jdf s THR 20 Ca 0.05 -1.19 -0.15 0.00 -1.21 0.00 0.00 61.69 59.19 2jdf s THR 20 Cb 0.05 -2.82 0.05 0.00 -1.51 0.00 0.00 72.50 68.27 2jdf s THR 20 CO 0.01 0.00 1.22 -1.81 -2.21 0.00 0.00 174.62 171.82 2jdf s ASP 21 N -3.13 4.03 -0.26 8.08 1.01 -1.26 -4.61 116.67 120.53 2jdf s ASP 21 Ca 0.20 2.39 -0.02 0.00 0.71 0.00 0.00 52.55 55.83 2jdf s ASP 21 Cb -0.04 -2.59 0.14 0.00 1.01 0.00 0.00 42.92 41.45 2jdf s ASP 21 CO 0.15 -2.38 0.42 0.00 0.21 0.00 0.00 175.17 173.57 2jdf n PRO 23 N 5.38 0.00 -3.24 0.00 -0.04 -1.26 -1.11 135.00 134.73 2jdf n PRO 23 Ca -0.03 0.15 -0.03 0.00 -0.04 0.00 0.00 63.50 63.55 2jdf n PRO 23 Cb 0.50 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.43 2jdf n PRO 23 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 2jdf s ASN 24 N -3.00 -0.58 0.00 3.54 2.47 -1.24 0.65 114.94 116.77 2jdf s ASN 24 Ca 0.10 0.17 0.24 0.00 0.42 0.00 0.00 52.86 53.79 2jdf s ASN 24 Cb 0.13 1.60 0.39 0.00 -1.45 0.00 0.00 41.25 41.92 2jdf s ASN 24 CO 0.37 -0.31 1.33 0.18 -3.72 0.00 0.00 177.10 174.95 2jdf n LEU 25 N 5.39 1.11 -0.31 3.21 4.77 0.34 -4.41 117.00 127.11 2jdf n LEU 25 Ca 0.01 -0.34 0.16 0.00 -0.03 0.00 0.00 56.01 55.81 2jdf n LEU 25 Cb 0.51 -0.11 0.41 0.00 -2.33 0.00 0.00 43.42 41.91 2jdf n LEU 25 CO -0.00 0.22 1.21 1.56 -1.33 0.00 0.00 177.39 179.05 2jdf h GLN 26 N 1.01 0.58 0.00 3.23 4.20 -1.76 -0.46 115.11 121.91 2jdf h GLN 26 Ca 0.00 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.68 2jdf h GLN 26 Cb 0.56 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 28.21 2jdf h GLN 26 CO 0.00 0.38 0.00 -2.30 -0.67 0.00 0.00 178.83 176.24 2jdf n PRO 27 N -4.64 0.15 -0.07 1.46 -0.02 -1.26 -3.47 135.00 127.15 2jdf n PRO 27 Ca 0.22 0.45 -0.06 0.00 -2.02 0.00 0.00 63.50 62.08 2jdf n PRO 27 Cb 0.65 -1.83 -0.12 0.00 -0.02 0.00 0.00 33.50 32.18 2jdf n PRO 27 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2jdf n TYR 28 N -2.12 0.00 -3.59 6.00 4.01 -0.20 -5.04 117.16 116.22 2jdf n TYR 28 Ca 0.01 0.00 -0.16 0.00 -0.16 0.00 0.00 57.90 57.60 2jdf n TYR 28 Cb 0.17 -0.72 -0.06 0.00 -0.31 0.00 0.00 39.34 38.42 2jdf n TYR 28 CO 0.00 0.00 0.00 -0.59 -0.46 0.00 0.00 176.86 175.81 2jdf s PHE 29 N -2.43 -0.48 -1.55 -0.72 -0.71 -1.08 -4.87 117.98 106.14 2jdf s PHE 29 Ca -0.07 0.71 0.23 0.00 -1.04 0.00 0.00 56.93 56.76 2jdf s PHE 29 Cb 0.05 0.33 0.09 0.00 -1.21 0.00 0.00 43.02 42.28 2jdf s PHE 29 CO 0.63 -0.58 1.14 -1.13 -1.34 0.00 0.00 175.22 173.93 2jdf n SER 30 N 0.78 1.38 -3.49 1.98 3.41 -1.26 -4.35 113.62 112.07 2jdf n SER 30 Ca -0.19 -1.12 -0.10 0.00 -0.26 0.00 0.00 58.87 57.20 2jdf n SER 30 Cb 0.58 0.57 -0.02 0.00 -0.26 0.00 0.00 64.21 65.07 2jdf n SER 30 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2jdf s ARG 31 N -2.71 0.94 -0.13 4.33 1.70 -1.26 -4.96 118.95 116.85 2jdf s ARG 31 Ca 0.15 -0.29 -0.04 0.00 -0.47 0.00 0.00 55.73 55.08 2jdf s ARG 31 Cb 0.18 0.43 0.05 0.00 -0.57 0.00 0.00 34.95 35.04 2jdf s ARG 31 CO 0.67 -0.40 0.08 0.00 -1.08 0.00 0.00 175.30 174.57 2jdf n ASN 33 N 5.28 1.57 -3.50 0.00 3.02 -0.05 -4.30 115.26 117.27 2jdf n ASN 33 Ca -0.06 -1.28 -0.16 0.00 -0.03 0.00 0.00 54.58 53.05 2jdf n ASN 33 Cb 0.49 0.13 -0.05 0.00 -0.61 0.00 0.00 39.78 39.75 2jdf n ASN 33 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 2jdf s SER 34 N -0.89 -0.61 -0.06 6.41 1.04 -1.16 -3.15 113.70 115.29 2jdf s SER 34 Ca 0.10 0.51 -0.08 0.00 0.48 0.00 0.00 55.95 56.96 2jdf s SER 34 Cb 0.07 0.53 0.02 0.00 0.10 0.00 0.00 66.02 66.74 2jdf s SER 34 CO 0.14 -0.67 0.20 -0.63 0.98 0.00 0.00 173.24 173.26 2jdf s ILE 35 N -1.83 0.02 -0.19 -1.02 1.01 0.11 -1.25 121.20 118.05 2jdf s ILE 35 Ca -0.07 -0.17 -0.00 0.00 0.00 0.00 0.00 60.65 60.41 2jdf s ILE 35 Cb -0.00 -0.34 0.01 0.00 0.01 0.00 0.00 42.46 42.14 2jdf s ILE 35 CO 0.03 -0.09 -0.16 -0.13 0.00 0.00 0.00 174.94 174.59 2jdf s ARG 36 N -0.28 3.10 -0.43 2.79 0.52 -0.57 -0.14 118.95 123.94 2jdf s ARG 36 Ca -0.04 -0.77 -0.11 0.00 -0.52 0.00 0.00 55.73 54.29 2jdf s ARG 36 Cb -0.03 -2.68 0.08 0.00 0.52 0.00 0.00 34.95 32.84 2jdf s ARG 36 CO 0.01 -0.18 0.29 0.08 0.02 0.00 0.00 175.30 175.51 2jdf s VAL 37 N 1.28 4.46 0.21 3.52 1.01 -0.03 -0.64 120.40 130.22 2jdf s VAL 37 Ca 0.04 -1.31 -0.01 0.00 0.00 0.00 0.00 61.98 60.70 2jdf s VAL 37 Cb -0.14 -3.71 -0.04 0.00 0.00 0.00 0.00 36.38 32.50 2jdf s VAL 37 CO -0.09 -0.52 1.54 -0.08 0.00 0.00 0.00 175.10 175.96 2jdf h GLU 38 N 8.48 0.49 -1.88 2.72 4.81 -1.31 -2.04 114.58 125.85 2jdf h GLU 38 Ca -0.24 -0.30 0.08 0.00 -0.13 0.00 0.00 59.36 58.77 2jdf h GLU 38 Cb 1.09 0.03 -0.20 0.00 0.63 0.00 0.00 28.75 30.30 2jdf h GLU 38 CO 0.78 0.89 0.49 -1.54 -0.73 0.00 0.00 179.01 178.90 2jdf s SER 39 N -6.90 -0.40 0.00 1.04 1.04 -1.04 -4.87 113.70 102.58 2jdf s SER 39 Ca -0.07 0.28 0.00 0.00 0.48 0.00 0.00 55.95 56.65 2jdf s SER 39 Cb 0.12 0.36 0.00 0.00 0.10 0.00 0.00 66.02 66.60 2jdf s SER 39 CO 0.83 -0.48 0.00 0.61 0.98 0.00 0.00 173.24 175.18 2jdf n GLY 40 N 0.38 0.00 3.44 7.32 0.00 -1.26 -0.83 105.19 114.25 2jdf n GLY 40 Ca -0.11 -1.87 -0.33 0.00 0.00 0.00 0.00 46.02 43.72 2jdf n GLY 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jdf s TRP 42 N 0.16 1.20 -0.15 0.00 0.52 0.31 -0.82 118.94 120.15 2jdf s TRP 42 Ca -0.05 -0.49 0.02 0.00 0.02 0.00 0.00 56.10 55.61 2jdf s TRP 42 Cb -0.14 -0.67 0.01 0.00 -1.15 0.00 0.00 33.47 31.52 2jdf s TRP 42 CO 0.04 0.06 -0.21 1.41 0.02 0.00 0.00 176.95 178.26 2jdf s MET 43 N -1.91 3.01 0.07 4.98 1.75 -0.71 -0.80 119.30 125.69 2jdf s MET 43 Ca -0.01 -0.85 0.05 0.00 -1.25 0.00 0.00 55.69 53.64 2jdf s MET 43 Cb -0.09 -2.48 -0.04 0.00 2.84 0.00 0.00 34.83 35.06 2jdf s MET 43 CO 0.02 -0.08 -0.05 0.96 -0.65 0.00 0.00 175.02 175.22 2jdf s ILE 44 N 0.97 3.70 0.10 10.11 -4.36 0.25 -1.10 121.20 130.87 2jdf s ILE 44 Ca -0.03 -1.02 0.09 0.00 -0.26 0.00 0.00 60.65 59.43 2jdf s ILE 44 Cb -0.15 -2.71 -0.03 0.00 1.25 0.00 0.00 42.46 40.82 2jdf s ILE 44 CO -0.05 0.20 -0.22 -0.31 0.24 0.00 0.00 174.94 174.79 2jdf s TYR 45 N -1.19 1.90 0.19 1.37 1.51 0.38 -1.39 117.35 120.13 2jdf s TYR 45 Ca 0.22 -0.41 -0.09 0.00 -1.01 0.00 0.00 57.07 55.78 2jdf s TYR 45 Cb -0.11 -1.05 0.09 0.00 -0.11 0.00 0.00 41.96 40.78 2jdf s TYR 45 CO 0.14 0.22 1.67 1.49 -1.11 0.00 0.00 175.55 177.96 2jdf h GLU 46 N 4.12 1.10 -6.07 -0.62 4.81 -1.38 0.26 114.58 116.80 2jdf h GLU 46 Ca -0.47 -0.32 -0.59 0.00 -0.13 0.00 0.00 59.36 57.85 2jdf h GLU 46 Cb 1.18 -0.12 -0.12 0.00 0.63 0.00 0.00 28.75 30.32 2jdf h GLU 46 CO 0.40 1.04 -0.66 1.03 -0.73 0.00 0.00 179.01 180.09 2jdf s ARG 47 N -5.12 2.00 0.93 1.92 1.81 -0.66 -3.13 118.95 116.71 2jdf s ARG 47 Ca -0.12 -1.73 -0.11 0.00 -1.72 0.00 0.00 55.73 52.06 2jdf s ARG 47 Cb 0.14 -1.90 0.15 0.00 -0.45 0.00 0.00 34.95 32.89 2jdf s ARG 47 CO 0.86 0.21 1.11 -2.14 -0.68 0.00 0.00 175.30 174.65 2jdf s PRO 48 N -3.66 0.90 -1.52 3.54 0.02 -1.26 -3.28 135.00 129.74 2jdf s PRO 48 Ca 0.33 1.28 -0.06 0.00 0.02 0.00 0.00 61.00 62.58 2jdf s PRO 48 Cb -0.02 -1.73 0.01 0.00 0.02 0.00 0.00 34.50 32.79 2jdf s PRO 48 CO 0.18 -2.63 0.66 0.09 -0.33 0.00 0.00 177.00 174.98 2jdf n ASN 49 N -4.20 -5.89 -3.22 2.53 3.02 0.21 -2.87 115.26 104.83 2jdf n ASN 49 Ca 0.09 -0.33 -0.23 0.00 -0.03 0.00 0.00 54.58 54.08 2jdf n ASN 49 Cb 0.53 -4.76 0.04 0.00 -0.61 0.00 0.00 39.78 34.99 2jdf n ASN 49 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 2jdf n TYR 50 N -4.51 -2.18 -3.92 3.10 4.01 -1.24 -5.00 117.16 107.42 2jdf n TYR 50 Ca -0.09 0.65 -0.22 0.00 -0.16 0.00 0.00 57.90 58.08 2jdf n TYR 50 Cb 0.61 -4.49 -0.05 0.00 -0.31 0.00 0.00 39.34 35.10 2jdf n TYR 50 CO 0.00 0.00 0.00 -0.65 -0.46 0.00 0.00 176.86 175.75 2jdf s GLN 51 N -5.91 2.55 1.51 -0.72 -1.52 -1.14 -5.02 119.66 109.42 2jdf s GLN 51 Ca 0.39 -1.43 0.00 0.00 -1.95 0.00 0.00 55.36 52.37 2jdf s GLN 51 Cb -0.18 -2.33 0.00 0.00 -0.22 0.00 0.00 33.01 30.28 2jdf s GLN 51 CO 0.48 0.07 0.00 0.41 -0.25 0.00 0.00 175.29 176.01 2jdf n GLY 52 N -1.29 -1.74 3.77 3.09 0.00 -1.26 -1.65 105.19 106.11 2jdf n GLY 52 Ca -0.02 -1.40 -0.41 0.00 0.00 0.00 0.00 46.02 44.19 2jdf n GLY 52 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2jdf n HIS 53 N 0.00 2.98 -4.56 1.61 8.25 -1.26 -4.72 115.22 117.51 2jdf n HIS 53 Ca 0.00 0.44 -0.31 0.00 -0.26 0.00 0.00 57.72 57.60 2jdf n HIS 53 Cb 0.00 -2.53 -0.12 0.00 1.12 0.00 0.00 29.99 28.46 2jdf n HIS 53 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 2jdf s GLN 54 N -2.07 2.07 -0.02 -0.41 -0.21 -1.26 -1.62 119.66 116.13 2jdf s GLN 54 Ca 0.53 -0.99 -0.01 0.00 0.02 0.00 0.00 55.36 54.91 2jdf s GLN 54 Cb -0.48 -2.21 0.02 0.00 1.00 0.00 0.00 33.01 31.35 2jdf s GLN 54 CO 0.64 0.53 0.05 0.71 -2.12 0.00 0.00 175.29 175.10 2jdf s TYR 55 N -0.98 -0.02 -0.15 0.91 2.02 -0.48 -4.30 117.35 114.35 2jdf s TYR 55 Ca 0.16 0.17 -0.15 0.00 -0.37 0.00 0.00 57.07 56.88 2jdf s TYR 55 Cb -0.11 -0.12 -0.05 0.00 -0.40 0.00 0.00 41.96 41.29 2jdf s TYR 55 CO 0.07 -0.07 0.34 0.12 -1.57 0.00 0.00 175.55 174.43 2jdf s PHE 56 N 0.70 3.48 0.02 2.71 5.36 -1.26 -0.58 117.98 128.41 2jdf s PHE 56 Ca -0.06 0.68 0.03 0.00 -0.96 0.00 0.00 56.93 56.62 2jdf s PHE 56 Cb -0.08 -2.39 -0.01 0.00 -0.34 0.00 0.00 43.02 40.20 2jdf s PHE 56 CO -0.02 0.24 -0.08 -0.51 -1.46 0.00 0.00 175.22 173.38 2jdf s LEU 57 N 0.45 2.12 0.45 6.12 1.02 0.02 -4.98 118.68 123.88 2jdf s LEU 57 Ca 0.19 -0.32 0.03 0.00 0.02 0.00 0.00 54.13 54.05 2jdf s LEU 57 Cb -0.14 -0.34 -0.02 0.00 0.02 0.00 0.00 46.19 45.71 2jdf s LEU 57 CO 0.06 -0.02 0.08 -0.13 0.02 0.00 0.00 176.35 176.36 2jdf s ARG 58 N -0.79 2.03 0.04 1.70 0.52 -1.26 -0.53 118.95 120.65 2jdf s ARG 58 Ca -0.01 -2.26 -0.37 0.00 -0.52 0.00 0.00 55.73 52.56 2jdf s ARG 58 Cb -0.06 -0.99 -0.17 0.00 0.52 0.00 0.00 34.95 34.25 2jdf s ARG 58 CO 0.00 -0.42 1.36 -2.13 0.02 0.00 0.00 175.30 174.13 2jdf n ARG 59 N -1.05 1.05 0.00 3.54 0.63 -1.21 -4.69 116.66 114.94 2jdf n ARG 59 Ca -0.11 0.38 0.00 0.00 -0.92 0.00 0.00 57.85 57.20 2jdf n ARG 59 Cb 0.66 -2.01 0.00 0.00 0.45 0.00 0.00 32.46 31.55 2jdf n ARG 59 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2jdf n GLY 60 N 2.62 0.40 3.28 5.14 0.00 -0.77 -4.82 105.19 111.05 2jdf n GLY 60 Ca 0.19 -1.35 -0.32 0.00 0.00 0.00 0.00 46.02 44.54 2jdf n GLY 60 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2jdf s GLU 61 N -1.89 3.19 -0.48 1.61 2.02 -1.26 -0.85 118.70 121.04 2jdf s GLU 61 Ca 0.00 -0.80 0.02 0.00 0.02 0.00 0.00 54.97 54.22 2jdf s GLU 61 Cb 0.00 -2.44 0.13 0.00 0.10 0.00 0.00 34.13 31.91 2jdf s GLU 61 CO 0.00 0.19 0.23 0.71 0.02 0.00 0.00 175.26 176.41 2jdf s TYR 62 N 0.35 3.39 -0.45 1.61 1.51 0.80 -4.97 117.35 119.58 2jdf s TYR 62 Ca -0.15 -3.01 0.20 0.00 -1.01 0.00 0.00 57.07 53.10 2jdf s TYR 62 Cb -0.17 -2.93 0.96 0.00 -0.11 0.00 0.00 41.96 39.70 2jdf s TYR 62 CO 0.08 -0.82 1.62 -0.35 -1.11 0.00 0.00 175.55 174.96 2jdf n PRO 63 N 3.55 0.15 -3.68 -1.71 -0.04 -1.26 -0.71 135.00 131.29 2jdf n PRO 63 Ca 0.05 0.50 -0.11 0.00 -0.04 0.00 0.00 63.50 63.89 2jdf n PRO 63 Cb 0.36 -1.85 -0.06 0.00 -0.04 0.00 0.00 33.50 31.91 2jdf n PRO 63 CO 0.00 0.00 0.00 0.16 -0.04 0.00 0.00 175.50 175.62 2jdf s ASP 64 N -3.98 -0.21 0.53 3.54 -4.77 -1.23 -0.85 116.67 109.70 2jdf s ASP 64 Ca 0.02 -0.19 0.27 0.00 -3.30 0.00 0.00 52.55 49.34 2jdf s ASP 64 Cb 0.07 0.43 1.49 0.00 -1.09 0.00 0.00 42.92 43.82 2jdf s ASP 64 CO 0.28 -0.73 2.10 0.10 0.70 0.00 0.00 175.17 177.62 2jdf h TYR 65 N 2.79 0.00 0.00 2.11 -0.00 -1.84 -1.40 116.97 118.63 2jdf h TYR 65 Ca -0.32 0.00 -0.01 0.00 0.00 0.00 0.00 58.73 58.39 2jdf h TYR 65 Cb 1.22 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 37.95 2jdf h TYR 65 CO 0.39 0.10 -0.06 1.96 -0.00 0.00 0.00 178.16 180.55 2jdf h GLN 66 N 0.00 0.00 0.00 0.10 7.50 -1.93 0.08 115.11 120.86 2jdf h GLN 66 Ca -0.00 0.00 -0.03 0.00 0.50 0.00 0.00 58.65 59.12 2jdf h GLN 66 Cb 0.27 0.00 -0.00 0.00 0.05 0.00 0.00 27.48 27.79 2jdf h GLN 66 CO 0.01 0.06 -0.14 1.96 -1.50 0.00 0.00 178.83 179.22 2jdf h GLN 67 N 0.00 0.00 -0.46 1.46 1.08 -1.61 -1.37 115.11 114.21 2jdf h GLN 67 Ca -0.00 0.00 -0.12 0.00 -1.45 0.00 0.00 58.65 57.08 2jdf h GLN 67 Cb 0.17 0.00 -0.07 0.00 -0.05 0.00 0.00 27.48 27.53 2jdf h GLN 67 CO 0.01 0.14 0.08 -2.67 -0.95 0.00 0.00 178.83 175.44 2jdf n TRP 68 N -3.57 1.54 -2.33 2.96 2.14 -0.84 -4.90 117.44 112.44 2jdf n TRP 68 Ca -0.01 -1.15 -0.21 0.00 2.07 0.00 0.00 57.50 58.19 2jdf n TRP 68 Cb 0.28 -0.49 -0.02 0.00 -0.81 0.00 0.00 31.31 30.27 2jdf n TRP 68 CO 0.00 0.00 0.00 -1.33 2.07 0.00 0.00 177.69 178.43 2jdf n MET 69 N -0.50 -1.67 -1.88 -2.67 2.81 -0.52 -4.70 117.12 107.99 2jdf n MET 69 Ca 0.31 1.03 -0.32 0.00 -1.81 0.00 0.00 57.70 56.92 2jdf n MET 69 Cb 1.11 -5.67 0.02 0.00 -0.71 0.00 0.00 33.22 27.97 2jdf n MET 69 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 2jdf s GLY 70 N -2.11 1.84 -0.05 3.03 0.00 -0.05 -4.98 107.32 105.01 2jdf s GLY 70 Ca 0.00 0.14 0.17 0.00 0.00 0.00 0.00 44.72 45.03 2jdf s GLY 70 CO 0.00 0.44 0.54 1.04 0.00 0.00 0.00 173.10 175.12 2jdf n LEU 71 N -2.53 0.54 0.00 0.66 4.77 -1.26 -4.39 117.00 114.79 2jdf n LEU 71 Ca 0.07 0.24 0.00 0.00 -0.03 0.00 0.00 56.01 56.30 2jdf n LEU 71 Cb 0.54 0.21 0.00 0.00 -2.33 0.00 0.00 43.42 41.84 2jdf n LEU 71 CO 0.53 0.29 0.00 -1.54 -1.33 0.00 0.00 177.39 175.34 2jdf n SER 72 N -2.83 0.00 -1.94 -1.43 3.41 -1.26 -5.03 113.62 104.54 2jdf n SER 72 Ca -0.18 -0.94 -0.01 0.00 -0.26 0.00 0.00 58.87 57.48 2jdf n SER 72 Cb 0.96 0.00 0.34 0.00 -0.26 0.00 0.00 64.21 65.25 2jdf n SER 72 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 2jdf n ASP 73 N -1.18 5.13 -4.44 4.04 5.75 -1.26 -4.85 116.55 119.74 2jdf n ASP 73 Ca 0.00 -3.13 -0.44 0.00 -0.01 0.00 0.00 54.79 51.21 2jdf n ASP 73 Cb 0.00 -0.72 -0.08 0.00 -1.03 0.00 0.00 41.12 39.29 2jdf n ASP 73 CO 0.00 0.00 0.00 -0.44 -0.11 0.00 0.00 177.20 176.65 2jdf s SER 74 N -0.99 6.18 -0.11 -1.12 0.01 -1.26 -0.15 113.70 116.25 2jdf s SER 74 Ca 0.55 -0.96 -0.01 0.00 1.31 0.00 0.00 55.95 56.84 2jdf s SER 74 Cb 0.43 -2.22 0.03 0.00 0.21 0.00 0.00 66.02 64.47 2jdf s SER 74 CO 0.14 -0.67 -0.01 -0.63 0.41 0.00 0.00 173.24 172.48 2jdf s ILE 75 N 2.08 0.60 0.00 1.44 -1.09 -1.26 -4.17 121.20 118.80 2jdf s ILE 75 Ca 0.10 -0.16 0.00 0.00 -2.23 0.00 0.00 60.65 58.35 2jdf s ILE 75 Cb -0.20 -0.80 0.00 0.00 -1.58 0.00 0.00 42.46 39.88 2jdf s ILE 75 CO 0.11 0.18 0.42 0.54 -1.23 0.00 0.00 174.94 174.95 2jdf n ARG 76 N 5.06 -0.82 -3.45 2.79 1.74 0.91 -4.78 116.66 118.11 2jdf n ARG 76 Ca -0.09 -0.42 -0.13 0.00 -0.77 0.00 0.00 57.85 56.44 2jdf n ARG 76 Cb 0.49 -0.92 -0.03 0.00 -1.02 0.00 0.00 32.46 30.99 2jdf n ARG 76 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 2jdf s SER 77 N -0.00 -0.55 -0.07 0.55 1.04 -1.16 -0.50 113.70 113.00 2jdf s SER 77 Ca 0.00 0.06 -0.22 0.00 0.48 0.00 0.00 55.95 56.27 2jdf s SER 77 Cb 0.00 0.58 0.05 0.00 0.10 0.00 0.00 66.02 66.75 2jdf s SER 77 CO 0.00 -0.91 0.51 0.00 0.98 0.00 0.00 173.24 173.81 2jdf s LEU 80 N -0.43 4.22 -0.21 0.00 2.96 -1.26 -1.74 118.68 122.22 2jdf s LEU 80 Ca 0.03 0.24 -0.29 0.00 -0.22 0.00 0.00 54.13 53.89 2jdf s LEU 80 Cb -0.05 -2.79 -0.00 0.00 0.50 0.00 0.00 46.19 43.86 2jdf s LEU 80 CO -0.00 -0.55 1.18 -0.63 -1.32 0.00 0.00 176.35 175.03 2jdf s ILE 81 N 2.66 4.42 0.21 6.68 1.01 -0.00 -4.89 121.20 131.29 2jdf s ILE 81 Ca 0.24 1.71 -0.32 0.00 0.00 0.00 0.00 60.65 62.28 2jdf s ILE 81 Cb -0.15 -4.14 -0.15 0.00 0.01 0.00 0.00 42.46 38.04 2jdf s ILE 81 CO 0.14 -0.19 1.27 -2.65 0.00 0.00 0.00 174.94 173.50 2jdf n PRO 82 N 6.57 1.58 -1.99 2.79 -0.02 -1.26 -4.43 135.00 138.24 2jdf n PRO 82 Ca 0.13 0.56 -0.37 0.00 -2.02 0.00 0.00 63.50 61.80 2jdf n PRO 82 Cb 0.45 -2.13 0.02 0.00 -0.02 0.00 0.00 33.50 31.83 2jdf n PRO 82 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2jdf s PRO 83 N -0.43 3.33 -0.02 0.52 0.04 -1.26 -4.89 135.00 132.29 2jdf s PRO 83 Ca 0.70 2.00 0.04 0.00 0.04 0.00 0.00 61.00 63.78 2jdf s PRO 83 Cb -0.75 -2.26 -0.00 0.00 0.04 0.00 0.00 34.50 31.53 2jdf s PRO 83 CO 0.51 -0.96 -0.13 -1.58 0.04 0.00 0.00 177.00 174.88 2jdf s HIS 84 N -1.44 1.25 0.23 0.56 2.46 -1.26 -5.10 115.29 111.99 2jdf s HIS 84 Ca 0.70 -0.30 0.10 0.00 0.47 0.00 0.00 55.06 56.02 2jdf s HIS 84 Cb -0.34 -0.84 -0.04 0.00 -0.13 0.00 0.00 32.58 31.22 2jdf s HIS 84 CO 0.41 -0.09 -0.08 -1.12 -2.47 0.00 0.00 174.74 171.38 2jdf s SER 85 N -0.03 4.23 0.00 9.88 0.01 -1.26 -5.03 113.70 121.50 2jdf s SER 85 Ca -0.00 -0.68 0.00 0.00 1.31 0.00 0.00 55.95 56.58 2jdf s SER 85 Cb -0.08 -0.69 0.00 0.00 0.21 0.00 0.00 66.02 65.46 2jdf s SER 85 CO 0.01 0.06 0.00 0.61 0.41 0.00 0.00 173.24 174.32 2jdf n GLY 86 N -0.40 -1.76 3.78 3.44 0.00 -1.26 -4.90 105.19 104.10 2jdf n GLY 86 Ca -0.08 -1.37 -0.36 0.00 0.00 0.00 0.00 46.02 44.21 2jdf n GLY 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jdf s ALA 87 N -1.01 2.95 0.20 4.61 0.00 -1.26 -5.06 121.76 122.19 2jdf s ALA 87 Ca 0.00 0.72 0.02 0.00 0.00 0.00 0.00 51.96 52.70 2jdf s ALA 87 Cb 0.00 -3.29 -0.04 0.00 0.00 0.00 0.00 23.12 19.79 2jdf s ALA 87 CO 0.00 -0.39 0.36 0.71 0.00 0.00 0.00 175.76 176.44 2jdf s TYR 88 N -1.76 3.48 -0.27 0.00 1.51 -1.26 -4.71 117.35 114.34 2jdf s TYR 88 Ca 0.64 0.18 -0.16 0.00 -1.01 0.00 0.00 57.07 56.72 2jdf s TYR 88 Cb -0.21 -1.73 0.08 0.00 -0.11 0.00 0.00 41.96 39.99 2jdf s TYR 88 CO 0.26 0.42 0.68 0.50 -1.11 0.00 0.00 175.55 176.30 2jdf s ARG 89 N -3.50 0.69 -0.13 -0.62 3.52 0.25 -4.29 118.95 114.86 2jdf s ARG 89 Ca 0.36 1.20 -0.17 0.00 -0.13 0.00 0.00 55.73 57.00 2jdf s ARG 89 Cb -0.10 0.13 0.04 0.00 -1.56 0.00 0.00 34.95 33.46 2jdf s ARG 89 CO 0.29 -0.15 0.44 0.00 -0.81 0.00 0.00 175.30 175.08 2jdf s MET 90 N 1.61 0.59 -0.08 5.12 0.23 -0.58 -0.57 119.30 125.62 2jdf s MET 90 Ca -0.10 0.46 -0.01 0.00 -1.03 0.00 0.00 55.69 55.01 2jdf s MET 90 Cb -0.05 0.28 -0.03 0.00 -1.53 0.00 0.00 34.83 33.50 2jdf s MET 90 CO -0.19 -0.10 -0.03 0.15 -2.03 0.00 0.00 175.02 172.82 2jdf s LYS 91 N -0.13 2.95 -0.00 3.16 1.02 -0.14 -0.31 119.74 126.29 2jdf s LYS 91 Ca -0.03 -0.46 0.07 0.00 0.02 0.00 0.00 55.97 55.56 2jdf s LYS 91 Cb -0.03 -2.73 -0.03 0.00 -0.52 0.00 0.00 37.83 34.52 2jdf s LYS 91 CO 0.02 0.66 -0.21 0.96 -0.92 0.00 0.00 175.35 175.86 2jdf s ILE 92 N -0.77 2.55 0.09 2.17 -4.36 -0.25 -1.07 121.20 119.55 2jdf s ILE 92 Ca 0.12 -1.05 0.08 0.00 -0.26 0.00 0.00 60.65 59.54 2jdf s ILE 92 Cb -0.11 -1.98 -0.03 0.00 1.25 0.00 0.00 42.46 41.58 2jdf s ILE 92 CO 0.02 0.49 -0.22 -0.31 0.24 0.00 0.00 174.94 175.16 2jdf s TYR 93 N -0.75 1.91 -1.28 1.37 1.51 -0.31 -2.03 117.35 117.76 2jdf s TYR 93 Ca 0.12 -0.40 0.13 0.00 -1.01 0.00 0.00 57.07 55.91 2jdf s TYR 93 Cb -0.10 -1.07 0.50 0.00 -0.11 0.00 0.00 41.96 41.18 2jdf s TYR 93 CO 0.01 0.19 1.36 -0.40 -1.11 0.00 0.00 175.55 175.61 2jdf n ASP 94 N 1.29 3.44 -3.90 2.29 5.75 -0.85 -1.61 116.55 122.97 2jdf n ASP 94 Ca -0.19 -2.30 -0.08 0.00 -0.01 0.00 0.00 54.79 52.21 2jdf n ASP 94 Cb 0.53 -0.48 -0.08 0.00 -1.03 0.00 0.00 41.12 40.07 2jdf n ASP 94 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 2jdf s ARG 95 N -1.74 0.80 0.97 0.11 1.81 -1.16 -4.69 118.95 115.05 2jdf s ARG 95 Ca 0.36 -1.01 -0.12 0.00 -1.72 0.00 0.00 55.73 53.23 2jdf s ARG 95 Cb 0.23 0.32 0.17 0.00 -0.45 0.00 0.00 34.95 35.22 2jdf s ARG 95 CO 0.17 -0.24 1.11 -0.51 -0.68 0.00 0.00 175.30 175.16 2jdf s ASP 96 N -2.87 2.91 -1.56 0.23 1.01 -1.26 -3.56 116.67 111.57 2jdf s ASP 96 Ca 0.05 1.08 -0.01 0.00 0.71 0.00 0.00 52.55 54.38 2jdf s ASP 96 Cb 0.05 -1.71 0.00 0.00 1.01 0.00 0.00 42.92 42.28 2jdf s ASP 96 CO -0.11 -2.94 0.13 -0.62 0.21 0.00 0.00 175.17 171.85 2jdf n GLU 97 N -4.03 -2.46 -3.60 8.23 -0.58 -0.36 -2.63 120.64 115.20 2jdf n GLU 97 Ca 0.06 0.88 -0.22 0.00 -0.42 0.00 0.00 57.16 57.45 2jdf n GLU 97 Cb 0.58 -5.57 0.07 0.00 -0.57 0.00 0.00 31.44 25.95 2jdf n GLU 97 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 2jdf n LEU 98 N -3.18 -3.46 -4.64 -4.62 4.77 -1.26 -5.01 117.00 99.60 2jdf n LEU 98 Ca -0.19 -0.63 -0.29 0.00 -0.03 0.00 0.00 56.01 54.87 2jdf n LEU 98 Cb 0.65 -2.96 -0.10 0.00 -2.33 0.00 0.00 43.42 38.69 2jdf n LEU 98 CO 0.31 0.52 -0.27 -0.13 -1.33 0.00 0.00 177.39 176.48 2jdf s ARG 99 N -6.02 1.99 0.93 3.23 0.52 -1.08 -5.07 118.95 113.46 2jdf s ARG 99 Ca 0.35 -2.18 0.00 0.00 -0.52 0.00 0.00 55.73 53.37 2jdf s ARG 99 Cb -0.16 -1.44 0.00 0.00 0.52 0.00 0.00 34.95 33.87 2jdf s ARG 99 CO 0.75 -0.19 0.00 0.41 0.02 0.00 0.00 175.30 176.29 2jdf n GLY 100 N -1.02 -1.87 3.74 -3.53 0.00 -1.26 -2.99 105.19 98.25 2jdf n GLY 100 Ca -0.09 -1.58 -0.42 0.00 0.00 0.00 0.00 46.02 43.93 2jdf n GLY 100 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2jdf s GLN 101 N 0.00 4.26 0.00 1.61 -0.21 -1.26 -4.76 119.66 119.30 2jdf s GLN 101 Ca 0.00 2.30 0.07 0.00 0.02 0.00 0.00 55.36 57.75 2jdf s GLN 101 Cb 0.00 -3.13 -0.02 0.00 1.00 0.00 0.00 33.01 30.86 2jdf s GLN 101 CO 0.00 -0.47 -0.20 1.41 -2.12 0.00 0.00 175.29 173.91 2jdf s MET 102 N 0.09 1.55 0.04 2.91 -2.45 -1.26 -2.00 119.30 118.19 2jdf s MET 102 Ca 0.62 -0.79 0.02 0.00 -1.25 0.00 0.00 55.69 54.29 2jdf s MET 102 Cb -0.42 -1.55 -0.02 0.00 1.25 0.00 0.00 34.83 34.08 2jdf s MET 102 CO 0.39 0.42 -0.07 -1.12 1.05 0.00 0.00 175.02 175.69 2jdf s SER 103 N -0.70 0.82 -0.08 1.11 0.01 -0.86 -4.98 113.70 109.02 2jdf s SER 103 Ca 0.08 -0.57 0.02 0.00 1.31 0.00 0.00 55.95 56.79 2jdf s SER 103 Cb -0.08 0.04 -0.02 0.00 0.21 0.00 0.00 66.02 66.17 2jdf s SER 103 CO 0.00 -0.23 -0.14 -0.70 0.41 0.00 0.00 173.24 172.58 2jdf s GLU 104 N -1.70 2.83 -0.10 12.44 2.12 -1.26 -1.09 118.70 131.93 2jdf s GLU 104 Ca -0.09 -0.69 0.00 0.00 0.36 0.00 0.00 54.97 54.55 2jdf s GLU 104 Cb -0.09 -2.47 -0.02 0.00 0.26 0.00 0.00 34.13 31.80 2jdf s GLU 104 CO -0.00 0.47 -0.10 -0.51 -0.54 0.00 0.00 175.26 174.58 2jdf s LEU 105 N -0.33 2.95 0.00 2.70 1.43 0.58 -4.97 118.68 121.05 2jdf s LEU 105 Ca 0.03 -0.18 0.00 0.00 -1.03 0.00 0.00 54.13 52.95 2jdf s LEU 105 Cb -0.13 -1.66 0.00 0.00 0.03 0.00 0.00 46.19 44.44 2jdf s LEU 105 CO 0.02 0.26 0.72 0.35 0.23 0.00 0.00 176.35 177.93 2jdf n THR 106 N 2.93 0.51 -4.01 5.49 -2.24 -1.26 -1.52 114.28 114.18 2jdf n THR 106 Ca -0.18 -0.58 -0.11 0.00 -2.27 0.00 0.00 64.05 60.91 2jdf n THR 106 Cb 0.53 0.82 -0.04 0.00 -2.10 0.00 0.00 70.33 69.54 2jdf n THR 106 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2jdf s ASP 107 N -0.51 0.33 0.79 3.42 -1.08 -1.26 -4.26 116.67 114.09 2jdf s ASP 107 Ca 0.00 -1.19 -0.12 0.00 -0.52 0.00 0.00 52.55 50.72 2jdf s ASP 107 Cb 0.00 0.65 0.07 0.00 -1.46 0.00 0.00 42.92 42.19 2jdf s ASP 107 CO 0.00 -1.28 1.16 -1.81 0.52 0.00 0.00 175.17 173.75 2jdf s ASP 108 N -3.11 3.92 -0.27 -0.34 1.01 -1.26 -4.90 116.67 111.71 2jdf s ASP 108 Ca 0.25 2.16 -0.03 0.00 0.71 0.00 0.00 52.55 55.64 2jdf s ASP 108 Cb -0.01 -2.57 0.09 0.00 1.01 0.00 0.00 42.92 41.45 2jdf s ASP 108 CO 0.14 -2.44 0.11 0.00 0.21 0.00 0.00 175.17 173.19 2jdf h LEU 110 N 8.32 0.00 -6.58 0.00 3.38 -1.89 -0.14 115.31 118.39 2jdf h LEU 110 Ca -0.18 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.46 2jdf h LEU 110 Cb 1.03 0.00 -0.34 0.00 0.09 0.00 0.00 40.66 41.44 2jdf h LEU 110 CO 0.42 0.23 -0.64 -0.55 0.09 0.00 0.00 178.44 178.00 2jdf s SER 111 N -6.19 1.66 0.49 -0.43 0.15 -1.26 -0.53 113.70 107.59 2jdf s SER 111 Ca 0.01 -0.62 0.18 0.00 0.70 0.00 0.00 55.95 56.21 2jdf s SER 111 Cb 0.10 0.46 1.20 0.00 -1.71 0.00 0.00 66.02 66.06 2jdf s SER 111 CO 0.64 -0.37 2.06 0.58 1.20 0.00 0.00 173.24 177.35 2jdf h VAL 112 N 6.28 0.97 0.21 4.45 2.07 -1.48 -1.38 116.25 127.37 2jdf h VAL 112 Ca -0.15 -0.42 -0.01 0.00 0.82 0.00 0.00 66.70 66.94 2jdf h VAL 112 Cb 1.09 1.24 0.00 0.00 -1.52 0.00 0.00 31.29 32.10 2jdf h VAL 112 CO 0.33 0.12 -0.10 -0.61 0.02 0.00 0.00 177.57 177.32 2jdf h GLN 113 N 0.00 -0.28 -0.85 1.57 5.75 -1.77 0.03 115.11 119.57 2jdf h GLN 113 Ca -0.00 0.02 -0.02 0.00 -0.15 0.00 0.00 58.65 58.50 2jdf h GLN 113 Cb 0.23 0.06 -0.04 0.00 1.07 0.00 0.00 27.48 28.80 2jdf h GLN 113 CO 0.02 0.07 0.46 -0.44 -2.65 0.00 0.00 178.83 176.28 2jdf h ASP 114 N -0.66 1.06 0.01 -0.69 3.32 -1.81 0.34 116.42 117.99 2jdf h ASP 114 Ca -0.03 -0.09 -0.00 0.00 0.02 0.00 0.00 57.03 56.93 2jdf h ASP 114 Cb 0.47 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.75 2jdf h ASP 114 CO 0.05 0.86 -0.01 -0.09 -1.72 0.00 0.00 179.24 178.33 2jdf h ARG 115 N 1.19 -0.01 -0.01 3.56 9.65 -1.28 -3.40 114.38 124.07 2jdf h ARG 115 Ca 0.30 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.18 2jdf h ARG 115 Cb 0.04 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.62 2jdf h ARG 115 CO -0.05 0.79 -0.06 1.19 2.80 0.00 0.00 179.97 184.65 2jdf n PHE 116 N -4.68 0.00 -3.72 2.20 3.72 -0.02 -4.99 117.46 109.97 2jdf n PHE 116 Ca -0.09 0.00 -0.24 0.00 -0.05 0.00 0.00 57.45 57.07 2jdf n PHE 116 Cb 0.39 0.00 0.04 0.00 -0.94 0.00 0.00 39.48 38.98 2jdf n PHE 116 CO 0.00 0.00 0.00 1.58 -0.05 0.00 0.00 176.76 178.29 2jdf n HIS 117 N 0.30 -2.20 -4.33 1.38 -0.00 0.12 -4.99 115.22 105.50 2jdf n HIS 117 Ca 0.05 0.90 -0.20 0.00 -0.00 0.00 0.00 57.72 58.47 2jdf n HIS 117 Cb 0.23 -4.45 -0.13 0.00 -0.00 0.00 0.00 29.99 25.64 2jdf n HIS 117 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 2jdf s LEU 118 N -6.91 2.19 0.00 0.27 1.43 -1.21 -4.99 118.68 109.46 2jdf s LEU 118 Ca 0.28 -0.49 0.02 0.00 -1.03 0.00 0.00 54.13 52.92 2jdf s LEU 118 Cb -0.14 -0.60 -0.02 0.00 0.03 0.00 0.00 46.19 45.47 2jdf s LEU 118 CO 0.80 0.02 0.14 0.35 0.23 0.00 0.00 176.35 177.89 2jdf n THR 119 N 1.79 0.00 -4.05 5.49 -2.24 -1.26 -2.93 114.28 111.07 2jdf n THR 119 Ca -0.19 -0.46 -0.10 0.00 -2.27 0.00 0.00 64.05 61.03 2jdf n THR 119 Cb 0.55 1.01 -0.11 0.00 -2.10 0.00 0.00 70.33 69.67 2jdf n THR 119 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2jdf s GLU 120 N -1.05 0.50 -0.06 -0.78 2.02 -1.26 -1.94 118.70 116.13 2jdf s GLU 120 Ca 0.01 -0.86 0.01 0.00 0.02 0.00 0.00 54.97 54.15 2jdf s GLU 120 Cb 0.01 -0.04 0.02 0.00 0.10 0.00 0.00 34.13 34.23 2jdf s GLU 120 CO 0.07 -0.03 -0.06 0.42 0.02 0.00 0.00 175.26 175.68 2jdf s ILE 121 N -2.15 0.71 -0.09 -1.63 1.01 -0.19 -4.87 121.20 113.99 2jdf s ILE 121 Ca -0.07 -0.20 0.21 0.00 0.00 0.00 0.00 60.65 60.60 2jdf s ILE 121 Cb -0.05 -0.72 -0.25 0.00 0.01 0.00 0.00 42.46 41.45 2jdf s ILE 121 CO -0.03 0.27 0.55 1.41 0.00 0.00 0.00 174.94 177.15 2jdf n HIS 122 N 4.18 0.24 -3.59 3.97 8.25 -0.63 -4.74 115.22 122.90 2jdf n HIS 122 Ca -0.21 0.07 -0.13 0.00 -0.26 0.00 0.00 57.72 57.19 2jdf n HIS 122 Cb 0.51 -0.69 -0.05 0.00 1.12 0.00 0.00 29.99 30.88 2jdf n HIS 122 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 2jdf s SER 123 N -4.89 -0.39 0.05 0.41 1.04 -1.16 -3.64 113.70 105.11 2jdf s SER 123 Ca -0.07 0.07 -0.04 0.00 0.48 0.00 0.00 55.95 56.39 2jdf s SER 123 Cb 0.12 0.48 -0.02 0.00 0.10 0.00 0.00 66.02 66.70 2jdf s SER 123 CO 0.87 -0.74 0.06 -0.76 0.98 0.00 0.00 173.24 173.65 2jdf s LEU 124 N -2.13 2.00 -0.32 2.42 1.43 0.27 -1.17 118.68 121.18 2jdf s LEU 124 Ca -0.04 -0.68 -0.02 0.00 -1.03 0.00 0.00 54.13 52.37 2jdf s LEU 124 Cb -0.00 0.48 0.11 0.00 0.03 0.00 0.00 46.19 46.81 2jdf s LEU 124 CO -0.04 -0.54 0.15 0.21 0.23 0.00 0.00 176.35 176.37 2jdf s ASN 125 N -2.37 3.52 -0.56 2.29 3.04 -0.23 -0.33 114.94 120.29 2jdf s ASN 125 Ca -0.01 -1.73 -0.26 0.00 0.04 0.00 0.00 52.86 50.89 2jdf s ASN 125 Cb 0.01 -0.55 0.04 0.00 -1.54 0.00 0.00 41.25 39.21 2jdf s ASN 125 CO -0.07 -0.38 1.06 -0.69 -3.04 0.00 0.00 177.10 173.98 2jdf s VAL 126 N 1.55 4.21 -0.14 -5.21 1.01 0.18 -0.97 120.40 121.04 2jdf s VAL 126 Ca 0.12 0.59 -0.17 0.00 0.00 0.00 0.00 61.98 62.53 2jdf s VAL 126 Cb -0.19 -4.63 -0.25 0.00 0.00 0.00 0.00 36.38 31.32 2jdf s VAL 126 CO -0.21 -1.22 0.44 -0.07 0.00 0.00 0.00 175.10 174.04 2jdf h LEU 127 N 11.43 0.25 -7.61 3.92 3.38 -1.12 0.46 115.31 126.03 2jdf h LEU 127 Ca -0.25 -0.78 -0.46 0.00 0.09 0.00 0.00 57.88 56.48 2jdf h LEU 127 Cb 1.07 -0.08 -0.37 0.00 0.09 0.00 0.00 40.66 41.36 2jdf h LEU 127 CO 1.13 1.58 -0.78 -1.61 0.09 0.00 0.00 178.44 178.86 2jdf s GLU 128 N -2.44 0.96 0.00 1.13 0.41 -0.33 -4.85 118.70 113.58 2jdf s GLU 128 Ca -0.23 -0.05 0.00 0.00 -0.41 0.00 0.00 54.97 54.28 2jdf s GLU 128 Cb 0.05 -1.15 0.00 0.00 -1.78 0.00 0.00 34.13 31.25 2jdf s GLU 128 CO 0.71 -0.24 0.00 0.41 -0.49 0.00 0.00 175.26 175.65 2jdf n GLY 129 N 4.85 -1.95 3.91 -1.39 0.00 -1.26 -0.58 105.19 108.76 2jdf n GLY 129 Ca -0.12 -1.51 -0.29 0.00 0.00 0.00 0.00 46.02 44.09 2jdf n GLY 129 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2jdf s SER 130 N -3.60 6.46 0.14 1.61 0.01 -1.26 -4.22 113.70 112.84 2jdf s SER 130 Ca 0.00 0.61 -0.00 0.00 1.31 0.00 0.00 55.95 57.87 2jdf s SER 130 Cb 0.00 -2.10 -0.04 0.00 0.21 0.00 0.00 66.02 64.09 2jdf s SER 130 CO 0.00 -0.07 0.03 0.26 0.41 0.00 0.00 173.24 173.87 2jdf s TRP 131 N -1.88 0.97 -0.13 2.43 0.52 -0.18 -0.77 118.94 119.89 2jdf s TRP 131 Ca 0.42 -1.15 0.01 0.00 0.02 0.00 0.00 56.10 55.40 2jdf s TRP 131 Cb -0.11 -0.55 -0.00 0.00 -1.15 0.00 0.00 33.47 31.65 2jdf s TRP 131 CO 0.27 -0.40 -0.17 0.42 0.02 0.00 0.00 176.95 177.09 2jdf s ILE 132 N -3.91 2.58 -0.23 2.03 -1.09 0.12 0.37 121.20 121.08 2jdf s ILE 132 Ca 0.23 -0.82 -0.11 0.00 -2.23 0.00 0.00 60.65 57.73 2jdf s ILE 132 Cb 0.07 -2.06 -0.05 0.00 -1.58 0.00 0.00 42.46 38.84 2jdf s ILE 132 CO 0.02 0.53 0.17 -0.22 -1.23 0.00 0.00 174.94 174.21 2jdf s LEU 133 N 0.57 4.14 -0.07 2.97 0.20 0.23 -1.12 118.68 125.61 2jdf s LEU 133 Ca -0.10 0.17 0.01 0.00 0.69 0.00 0.00 54.13 54.90 2jdf s LEU 133 Cb -0.16 -2.13 -0.03 0.00 -0.43 0.00 0.00 46.19 43.44 2jdf s LEU 133 CO 0.04 0.08 -0.08 -0.31 -0.29 0.00 0.00 176.35 175.79 2jdf s TYR 134 N 0.90 2.90 0.29 5.38 2.02 -0.30 -0.87 117.35 127.67 2jdf s TYR 134 Ca 0.08 -0.01 -0.00 0.00 -0.37 0.00 0.00 57.07 56.77 2jdf s TYR 134 Cb -0.13 -1.70 0.44 0.00 -0.40 0.00 0.00 41.96 40.17 2jdf s TYR 134 CO 0.03 0.30 1.85 1.49 -1.57 0.00 0.00 175.55 177.66 2jdf h GLU 135 N 5.29 0.82 -6.09 -0.62 4.81 -1.26 0.13 114.58 117.66 2jdf h GLU 135 Ca -0.48 -0.15 -0.58 0.00 -0.13 0.00 0.00 59.36 58.02 2jdf h GLU 135 Cb 1.17 -0.13 -0.10 0.00 0.63 0.00 0.00 28.75 30.31 2jdf h GLU 135 CO 0.52 0.71 -0.63 -1.64 -0.73 0.00 0.00 179.01 177.24 2jdf s MET 136 N -5.27 2.12 0.96 1.92 -1.94 -0.68 -2.07 119.30 114.33 2jdf s MET 136 Ca -0.10 -1.66 -0.12 0.00 -1.71 0.00 0.00 55.69 52.11 2jdf s MET 136 Cb 0.16 -1.99 0.16 0.00 2.01 0.00 0.00 34.83 35.17 2jdf s MET 136 CO 0.79 0.20 1.09 -2.14 -0.01 0.00 0.00 175.02 174.95 2jdf s PRO 137 N -3.70 0.76 -1.45 2.03 0.02 -1.26 -3.12 135.00 128.29 2jdf s PRO 137 Ca 0.34 0.91 -0.09 0.00 0.02 0.00 0.00 61.00 62.18 2jdf s PRO 137 Cb -0.02 -1.74 0.03 0.00 0.02 0.00 0.00 34.50 32.78 2jdf s PRO 137 CO 0.19 -2.61 0.95 0.09 -0.33 0.00 0.00 177.00 175.30 2jdf n ASN 138 N -4.15 -5.82 -3.72 2.53 3.02 0.31 -3.07 115.26 104.36 2jdf n ASN 138 Ca 0.07 -0.52 -0.23 0.00 -0.03 0.00 0.00 54.58 53.87 2jdf n ASN 138 Cb 0.55 -4.63 0.04 0.00 -0.61 0.00 0.00 39.78 35.13 2jdf n ASN 138 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 2jdf n TYR 139 N -4.75 -2.07 -4.55 3.10 4.01 -1.25 -5.01 117.16 106.63 2jdf n TYR 139 Ca -0.01 0.87 -0.25 0.00 -0.16 0.00 0.00 57.90 58.34 2jdf n TYR 139 Cb 0.57 -4.39 -0.11 0.00 -0.31 0.00 0.00 39.34 35.09 2jdf n TYR 139 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 2jdf s ARG 140 N -6.09 1.84 1.01 -0.72 0.52 -1.18 -5.05 118.95 109.28 2jdf s ARG 140 Ca 0.18 -2.03 0.00 0.00 -0.52 0.00 0.00 55.73 53.36 2jdf s ARG 140 Cb -0.09 -1.33 0.00 0.00 0.52 0.00 0.00 34.95 34.05 2jdf s ARG 140 CO 0.81 -0.11 0.00 0.41 0.02 0.00 0.00 175.30 176.43 2jdf n GLY 141 N -0.86 -2.06 3.75 -3.53 0.00 -1.26 -1.68 105.19 99.56 2jdf n GLY 141 Ca -0.04 -1.41 -0.42 0.00 0.00 0.00 0.00 46.02 44.15 2jdf n GLY 141 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jdf n ARG 142 N -0.16 2.60 -4.18 1.61 1.74 -1.26 -4.63 116.66 112.39 2jdf n ARG 142 Ca 0.00 0.92 -0.32 0.00 -0.77 0.00 0.00 57.85 57.67 2jdf n ARG 142 Cb 0.00 -2.65 -0.08 0.00 -1.02 0.00 0.00 32.46 28.71 2jdf n ARG 142 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 2jdf s GLN 143 N -1.34 2.89 -0.10 5.56 -0.21 -1.26 -1.33 119.66 123.88 2jdf s GLN 143 Ca 0.59 -0.58 -0.03 0.00 0.02 0.00 0.00 55.36 55.35 2jdf s GLN 143 Cb -0.50 -2.74 0.04 0.00 1.00 0.00 0.00 33.01 30.81 2jdf s GLN 143 CO 0.57 0.62 0.07 0.71 -2.12 0.00 0.00 175.29 175.14 2jdf s TYR 144 N -1.17 0.12 0.13 0.91 2.02 -0.05 -4.30 117.35 115.00 2jdf s TYR 144 Ca 0.22 0.02 -0.31 0.00 -0.37 0.00 0.00 57.07 56.63 2jdf s TYR 144 Cb -0.12 -0.57 -0.08 0.00 -0.40 0.00 0.00 41.96 40.79 2jdf s TYR 144 CO 0.13 -0.33 1.38 -1.17 -1.57 0.00 0.00 175.55 174.00 2jdf s LEU 145 N 2.16 4.38 -0.36 -1.29 2.96 -1.26 -0.60 118.68 124.66 2jdf s LEU 145 Ca 0.04 2.35 -0.03 0.00 -0.22 0.00 0.00 54.13 56.27 2jdf s LEU 145 Cb -0.14 -3.59 0.08 0.00 0.50 0.00 0.00 46.19 43.04 2jdf s LEU 145 CO -0.06 -0.64 0.12 -0.76 -1.32 0.00 0.00 176.35 173.70 2jdf s LEU 146 N 0.88 4.65 0.40 -0.68 1.43 0.16 -4.92 118.68 120.61 2jdf s LEU 146 Ca 0.63 -1.64 -0.08 0.00 -1.03 0.00 0.00 54.13 52.01 2jdf s LEU 146 Cb -0.37 -1.79 -0.06 0.00 0.03 0.00 0.00 46.19 44.00 2jdf s LEU 146 CO 0.32 -0.42 0.74 -0.13 0.23 0.00 0.00 176.35 177.09 2jdf s ARG 147 N 1.22 3.70 0.37 1.70 0.52 -1.26 -1.01 118.95 124.18 2jdf s ARG 147 Ca 0.02 0.32 -0.25 0.00 -0.52 0.00 0.00 55.73 55.31 2jdf s ARG 147 Cb -0.21 -2.43 -0.12 0.00 0.52 0.00 0.00 34.95 32.70 2jdf s ARG 147 CO -0.02 -0.04 0.87 -2.30 0.02 0.00 0.00 175.30 173.84 2jdf n PRO 148 N -1.47 1.10 0.00 3.54 -0.02 -1.26 -4.78 135.00 132.11 2jdf n PRO 148 Ca 0.01 0.39 0.00 0.00 -2.02 0.00 0.00 63.50 61.88 2jdf n PRO 148 Cb 0.54 -1.80 0.00 0.00 -0.02 0.00 0.00 33.50 32.22 2jdf n PRO 148 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2jdf n GLY 149 N 1.38 1.39 3.75 -1.23 0.00 0.16 -4.94 105.19 105.71 2jdf n GLY 149 Ca 0.10 -2.00 -0.37 0.00 0.00 0.00 0.00 46.02 43.75 2jdf n GLY 149 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2jdf s GLU 150 N -1.19 4.19 -0.32 1.61 2.02 -1.26 -0.65 118.70 123.10 2jdf s GLU 150 Ca 0.00 0.31 0.04 0.00 0.02 0.00 0.00 54.97 55.33 2jdf s GLU 150 Cb 0.00 -3.38 0.09 0.00 0.10 0.00 0.00 34.13 30.95 2jdf s GLU 150 CO 0.00 0.33 0.01 0.71 0.02 0.00 0.00 175.26 176.33 2jdf s TYR 151 N 0.13 3.65 0.06 1.61 1.51 0.55 -5.00 117.35 119.86 2jdf s TYR 151 Ca 0.22 -2.85 0.27 0.00 -1.01 0.00 0.00 57.07 53.70 2jdf s TYR 151 Cb -0.15 -2.70 1.01 0.00 -0.11 0.00 0.00 41.96 40.01 2jdf s TYR 151 CO 0.09 -0.93 1.86 0.00 -1.11 0.00 0.00 175.55 175.45 2jdf h ARG 152 N 7.65 0.00 -3.30 -0.62 3.08 -1.89 0.78 114.38 120.08 2jdf h ARG 152 Ca -0.07 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 59.93 2jdf h ARG 152 Cb 1.02 0.00 -0.13 0.00 0.08 0.00 0.00 29.97 30.94 2jdf h ARG 152 CO 0.51 0.13 -0.03 -0.98 -1.07 0.00 0.00 179.97 178.52 2jdf s ARG 153 N -3.60 1.09 0.54 0.04 1.70 -1.25 -1.23 118.95 116.25 2jdf s ARG 153 Ca 0.01 -0.64 0.24 0.00 -0.47 0.00 0.00 55.73 54.88 2jdf s ARG 153 Cb 0.09 0.48 1.44 0.00 -0.57 0.00 0.00 34.95 36.39 2jdf s ARG 153 CO 0.61 -0.43 2.06 0.27 -1.08 0.00 0.00 175.30 176.72 2jdf h PHE 154 N 2.36 0.00 0.00 5.89 -5.15 -1.85 0.21 116.94 118.40 2jdf h PHE 154 Ca -0.34 0.00 -0.01 0.00 -0.20 0.00 0.00 57.97 57.42 2jdf h PHE 154 Cb 1.26 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 37.43 2jdf h PHE 154 CO 0.32 0.00 -0.04 -0.07 -2.00 0.00 0.00 178.31 176.51 2jdf h LEU 155 N 0.00 0.00 -1.94 2.10 3.38 -1.90 -2.39 115.31 114.55 2jdf h LEU 155 Ca 0.15 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.10 2jdf h LEU 155 Cb 0.65 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.40 2jdf h LEU 155 CO -0.00 0.04 -0.10 0.44 0.09 0.00 0.00 178.44 178.91 2jdf h ASP 156 N 0.00 0.00 -0.64 -0.43 3.32 -1.29 -1.66 116.42 115.72 2jdf h ASP 156 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2jdf h ASP 156 Cb 0.09 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.64 2jdf h ASP 156 CO 0.01 0.10 0.00 -2.67 -1.72 0.00 0.00 179.24 174.96 2jdf n TRP 157 N -3.54 0.95 -0.79 4.55 2.14 -0.91 -4.96 117.44 114.88 2jdf n TRP 157 Ca -0.02 -0.52 0.00 0.00 2.07 0.00 0.00 57.50 59.03 2jdf n TRP 157 Cb 0.23 -0.05 0.00 0.00 -0.81 0.00 0.00 31.31 30.69 2jdf n TRP 157 CO 0.00 0.00 0.00 0.41 2.07 0.00 0.00 177.69 180.17 2jdf n GLY 158 N 1.31 0.71 3.87 -1.67 0.00 -0.63 -4.76 105.19 104.02 2jdf n GLY 158 Ca 0.22 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.94 2jdf n GLY 158 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jdf s ALA 159 N -2.57 3.28 -0.79 4.61 0.00 -1.19 -4.98 121.76 120.12 2jdf s ALA 159 Ca 0.00 -0.13 0.27 0.00 0.00 0.00 0.00 51.96 52.09 2jdf s ALA 159 Cb 0.00 -2.80 0.85 0.00 0.00 0.00 0.00 23.12 21.17 2jdf s ALA 159 CO 0.00 -0.12 1.76 -0.35 0.00 0.00 0.00 175.76 177.05 2jdf n PRO 160 N -1.50 0.20 -3.69 0.00 -0.04 -1.26 -4.33 135.00 124.39 2jdf n PRO 160 Ca 0.03 0.15 -0.10 0.00 -0.04 0.00 0.00 63.50 63.55 2jdf n PRO 160 Cb 0.54 -1.72 0.01 0.00 -0.04 0.00 0.00 33.50 32.29 2jdf n PRO 160 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 2jdf n ASN 161 N -2.07 -1.94 -0.78 3.54 0.23 -1.26 -5.05 115.26 107.93 2jdf n ASN 161 Ca 0.06 -2.59 0.08 0.00 -0.53 0.00 0.00 54.58 51.59 2jdf n ASN 161 Cb 0.41 3.31 0.22 0.00 -2.08 0.00 0.00 39.78 41.63 2jdf n ASN 161 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2jdf n ALA 162 N -0.72 2.44 -1.97 -2.53 0.00 -1.26 -4.88 120.51 111.59 2jdf n ALA 162 Ca -0.15 -0.74 -0.41 0.00 0.00 0.00 0.00 53.44 52.13 2jdf n ALA 162 Cb 0.56 -0.98 -0.03 0.00 0.00 0.00 0.00 19.45 19.01 2jdf n ALA 162 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2jdf s LYS 163 N -1.47 4.35 -0.03 0.00 1.02 -1.26 -1.02 119.74 121.32 2jdf s LYS 163 Ca 0.30 2.13 -0.01 0.00 0.02 0.00 0.00 55.97 58.41 2jdf s LYS 163 Cb 0.16 -3.17 0.03 0.00 -0.52 0.00 0.00 37.83 34.33 2jdf s LYS 163 CO 0.21 -0.31 0.06 0.08 -0.92 0.00 0.00 175.35 174.47 2jdf s VAL 164 N 0.10 -0.08 -0.22 3.17 1.01 -0.82 -4.72 120.40 118.85 2jdf s VAL 164 Ca 0.58 0.27 0.05 0.00 0.00 0.00 0.00 61.98 62.88 2jdf s VAL 164 Cb -0.38 -0.12 -0.17 0.00 0.00 0.00 0.00 36.38 35.71 2jdf s VAL 164 CO 0.39 0.11 -0.14 0.61 0.00 0.00 0.00 175.10 176.07 2jdf n GLY 165 N 4.49 -0.46 3.33 4.51 0.00 0.44 -4.53 105.19 112.96 2jdf n GLY 165 Ca -0.21 -0.19 -0.11 0.00 0.00 0.00 0.00 46.02 45.51 2jdf n GLY 165 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2jdf s SER 166 N -6.01 -0.28 -0.05 1.61 1.04 -1.07 -1.44 113.70 107.51 2jdf s SER 166 Ca -0.26 -0.26 0.01 0.00 0.48 0.00 0.00 55.95 55.92 2jdf s SER 166 Cb 0.07 0.49 0.02 0.00 0.10 0.00 0.00 66.02 66.70 2jdf s SER 166 CO 0.58 -0.86 -0.06 -0.76 0.98 0.00 0.00 173.24 173.13 2jdf s LEU 167 N -2.75 1.36 -0.07 2.42 1.43 -0.07 -1.15 118.68 119.86 2jdf s LEU 167 Ca 0.02 -0.16 0.03 0.00 -1.03 0.00 0.00 54.13 53.00 2jdf s LEU 167 Cb 0.01 -0.51 0.00 0.00 0.03 0.00 0.00 46.19 45.73 2jdf s LEU 167 CO -0.12 -0.04 -0.17 -0.60 0.23 0.00 0.00 176.35 175.65 2jdf s ARG 168 N 0.91 2.14 0.25 1.70 3.52 -0.27 -1.03 118.95 126.17 2jdf s ARG 168 Ca -0.11 -0.61 -0.30 0.00 -0.13 0.00 0.00 55.73 54.58 2jdf s ARG 168 Cb -0.14 -1.72 -0.09 0.00 -1.56 0.00 0.00 34.95 31.43 2jdf s ARG 168 CO 0.00 0.13 1.18 1.03 -0.81 0.00 0.00 175.30 176.84 2jdf s ARG 169 N 0.39 4.53 -0.47 5.12 0.52 -1.26 0.15 118.95 127.92 2jdf s ARG 169 Ca -0.13 1.91 -0.23 0.00 -0.52 0.00 0.00 55.73 56.76 2jdf s ARG 169 Cb -0.15 -3.19 0.03 0.00 0.52 0.00 0.00 34.95 32.16 2jdf s ARG 169 CO 0.05 0.02 0.80 0.08 0.02 0.00 0.00 175.30 176.26 2jdf s VAL 170 N -0.71 4.63 -0.03 3.52 1.01 0.05 -4.85 120.40 124.01 2jdf s VAL 170 Ca 0.49 0.33 -0.06 0.00 0.00 0.00 0.00 61.98 62.74 2jdf s VAL 170 Cb -0.34 -4.35 0.01 0.00 0.00 0.00 0.00 36.38 31.70 2jdf s VAL 170 CO 0.41 -0.79 0.14 0.00 0.00 0.00 0.00 175.10 174.87 2jdf s MET 171 N 3.34 0.29 0.90 2.72 0.23 -1.26 -4.68 119.30 120.84 2jdf s MET 171 Ca 0.29 -0.04 -0.11 0.00 -1.03 0.00 0.00 55.69 54.80 2jdf s MET 171 Cb -0.13 0.13 0.13 0.00 -1.53 0.00 0.00 34.83 33.43 2jdf s MET 171 CO 0.21 -0.06 1.10 0.34 -2.03 0.00 0.00 175.02 174.59 2jdf s ASP 172 N -0.50 3.32 0.13 -1.18 -1.08 -1.26 -4.89 116.67 111.22 2jdf s ASP 172 Ca -0.06 1.76 -0.34 0.00 -0.52 0.00 0.00 52.55 53.40 2jdf s ASP 172 Cb -0.04 -2.38 -0.13 0.00 -1.46 0.00 0.00 42.92 38.91 2jdf s ASP 172 CO 0.01 -2.78 1.65 -0.11 0.52 0.00 0.00 175.17 174.45 2jdf n LEU 173 N -4.00 3.29 -4.78 -1.34 7.94 -1.26 -4.88 117.00 111.97 2jdf n LEU 173 Ca 0.08 1.06 -0.41 0.00 -1.11 0.00 0.00 56.01 55.64 2jdf n LEU 173 Cb 0.54 -1.44 -0.00 0.00 0.53 0.00 0.00 43.42 43.04 2jdf n LEU 173 CO 0.54 -0.18 1.13 -0.47 -1.11 0.00 0.00 177.39 177.29 2jdf s TYR 175 N 1.43 2.58 0.28 1.96 5.04 -1.26 -4.87 117.35 122.51 2jdf s TYR 175 Ca 0.80 1.18 0.00 0.00 -2.44 0.00 0.00 57.07 56.61 2jdf s TYR 175 Cb -0.65 -4.01 0.00 0.00 0.35 0.00 0.00 41.96 37.65 2jdf s TYR 175 CO 0.39 -2.97 0.00 -0.11 -1.34 0.00 0.00 175.55 171.52 2jdf n LEU 176 N 0.41 -0.66 0.00 6.97 7.94 -1.26 -5.20 117.00 125.20 2jdf n LEU 176 Ca 0.01 0.49 0.00 0.00 -1.11 0.00 0.00 56.01 55.40 2jdf n LEU 176 Cb 0.39 0.81 0.00 0.00 0.53 0.00 0.00 43.42 45.15 2jdf n LEU 176 CO 0.63 -0.62 0.00 -1.84 -1.11 0.00 0.00 177.39 174.45