#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j03 n PRO 0 N 0.00 0.98 -0.07 1.61 -0.04 -1.26 -4.92 135.00 131.29 1j03 n PRO 0 Ca 0.00 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.45 1j03 n PRO 0 Cb 0.00 0.00 0.25 0.00 -0.04 0.00 0.00 33.50 33.71 1j03 n PRO 0 CO 0.00 0.00 0.00 0.52 -0.04 0.00 0.00 175.50 175.98 1j03 h MET 1 N 0.00 0.68 -4.54 0.54 2.86 -1.91 -3.48 114.93 109.08 1j03 h MET 1 Ca 0.00 -0.14 0.00 0.00 -2.06 0.00 0.00 59.70 57.50 1j03 h MET 1 Cb 0.00 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 31.56 1j03 h MET 1 CO 0.00 0.64 -0.74 0.39 1.06 0.00 0.00 176.91 178.26 1j03 n GLU 2 N -4.29 -3.95 -4.42 1.72 1.02 -1.26 -4.97 120.64 104.50 1j03 n GLU 2 Ca 0.03 2.85 -0.34 0.00 -0.02 0.00 0.00 57.16 59.69 1j03 n GLU 2 Cb 0.22 -3.69 -0.12 0.00 -0.02 0.00 0.00 31.44 27.83 1j03 n GLU 2 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 1j03 s PHE 3 N -0.45 3.02 0.59 -0.32 0.40 -1.02 -4.79 117.98 115.41 1j03 s PHE 3 Ca 0.00 -0.31 -0.08 0.00 -0.60 0.00 0.00 56.93 55.94 1j03 s PHE 3 Cb 0.00 -1.95 -0.01 0.00 0.51 0.00 0.00 43.02 41.57 1j03 s PHE 3 CO 0.00 -0.04 0.93 0.95 0.70 0.00 0.00 175.22 177.76 1j03 s THR 4 N 0.36 4.10 0.56 0.64 -4.23 -1.23 -0.82 115.64 115.01 1j03 s THR 4 Ca -0.04 0.30 0.27 0.00 -1.18 0.00 0.00 61.69 61.04 1j03 s THR 4 Cb -0.14 -3.63 0.40 0.00 1.34 0.00 0.00 72.50 70.46 1j03 s THR 4 CO 0.03 -0.71 1.98 0.00 -0.54 0.00 0.00 174.62 175.38 1j03 h ALA 5 N -0.20 2.34 -0.06 3.99 0.00 -1.96 1.25 119.26 124.62 1j03 h ALA 5 Ca -0.45 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.40 1j03 h ALA 5 Cb 1.23 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1j03 h ALA 5 CO 0.62 -0.66 -0.12 0.93 0.00 0.00 0.00 179.25 180.02 1j03 h GLU 6 N 0.00 0.19 -0.15 0.00 3.07 -1.91 0.51 114.58 116.29 1j03 h GLU 6 Ca 0.23 -0.12 -0.17 0.00 -0.50 0.00 0.00 59.36 58.81 1j03 h GLU 6 Cb 1.04 0.01 0.01 0.00 -0.84 0.00 0.00 28.75 28.97 1j03 h GLU 6 CO -0.00 0.70 -0.56 1.96 -1.40 0.00 0.00 179.01 179.71 1j03 h GLN 7 N -0.30 0.64 0.00 2.33 7.50 -1.28 -2.93 115.11 121.06 1j03 h GLN 7 Ca 0.00 -0.49 -0.03 0.00 0.50 0.00 0.00 58.65 58.63 1j03 h GLN 7 Cb 0.69 0.09 -0.00 0.00 0.05 0.00 0.00 27.48 28.31 1j03 h GLN 7 CO 0.03 1.11 -0.14 1.25 -1.50 0.00 0.00 178.83 179.57 1j03 h LEU 8 N 0.30 0.00 0.00 1.46 5.85 0.14 0.01 115.31 123.07 1j03 h LEU 8 Ca -0.03 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.69 1j03 h LEU 8 Cb 1.19 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.22 1j03 h LEU 8 CO 0.12 0.14 0.00 -1.20 -0.34 0.00 0.00 178.44 177.16 1j03 n SER 9 N -3.56 0.00 -0.72 1.25 7.64 0.17 -2.88 113.62 115.52 1j03 n SER 9 Ca -0.01 -0.01 0.04 0.00 1.01 0.00 0.00 58.87 59.89 1j03 n SER 9 Cb 0.28 -0.32 0.20 0.00 -1.01 0.00 0.00 64.21 63.36 1j03 n SER 9 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1j03 n GLN 10 N -1.32 1.66 -2.88 1.43 10.64 -0.02 -4.70 117.38 122.20 1j03 n GLN 10 Ca 0.12 -3.20 -0.12 0.00 -1.83 0.00 0.00 57.00 51.97 1j03 n GLN 10 Cb 0.25 -1.67 0.03 0.00 -0.86 0.00 0.00 30.24 27.98 1j03 n GLN 10 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 1j03 n TYR 11 N -1.13 -0.26 -0.72 2.61 4.01 -1.14 -4.73 117.16 115.80 1j03 n TYR 11 Ca 0.23 -2.99 0.07 0.00 -0.16 0.00 0.00 57.90 55.05 1j03 n TYR 11 Cb 0.79 0.14 0.19 0.00 -0.31 0.00 0.00 39.34 40.15 1j03 n TYR 11 CO 0.00 0.00 0.00 0.27 -0.46 0.00 0.00 176.86 176.67 1j03 n ASN 12 N 0.07 3.24 -2.25 7.72 0.23 -1.26 0.78 115.26 123.79 1j03 n ASN 12 Ca 0.13 -2.69 -0.04 0.00 -0.53 0.00 0.00 54.58 51.46 1j03 n ASN 12 Cb 0.74 -0.40 -0.03 0.00 -2.08 0.00 0.00 39.78 38.01 1j03 n ASN 12 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1j03 n GLY 13 N -0.41 -4.47 0.31 4.83 0.00 -1.26 -3.24 105.19 100.96 1j03 n GLY 13 Ca 0.16 1.01 0.00 0.00 0.00 0.00 0.00 46.02 47.19 1j03 n GLY 13 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1j03 n THR 14 N 1.07 0.00 -0.02 2.61 5.66 -1.26 0.96 114.28 123.29 1j03 n THR 14 Ca -0.26 0.00 -0.02 0.00 -3.05 0.00 0.00 64.05 60.72 1j03 n THR 14 Cb 0.40 0.00 0.02 0.00 -1.55 0.00 0.00 70.33 69.20 1j03 n THR 14 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 1j03 n ASP 15 N -2.11 -1.91 0.00 1.09 9.92 -1.26 -4.92 116.55 117.36 1j03 n ASP 15 Ca 0.00 -0.06 0.00 0.00 -0.53 0.00 0.00 54.79 54.20 1j03 n ASP 15 Cb 0.00 -0.08 0.00 0.00 -0.64 0.00 0.00 41.12 40.40 1j03 n ASP 15 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1j03 n GLU 16 N -1.97 0.00 -0.10 -1.24 1.02 -1.26 -4.26 120.64 112.83 1j03 n GLU 16 Ca 0.01 0.05 0.08 0.00 -0.02 0.00 0.00 57.16 57.28 1j03 n GLU 16 Cb 0.04 -0.57 0.11 0.00 -0.02 0.00 0.00 31.44 31.01 1j03 n GLU 16 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1j03 n SER 17 N -0.12 2.08 -4.58 1.62 7.64 -1.26 -5.06 113.62 113.95 1j03 n SER 17 Ca 0.00 -2.85 -0.48 0.00 1.01 0.00 0.00 58.87 56.55 1j03 n SER 17 Cb 0.00 -0.36 -0.03 0.00 -1.01 0.00 0.00 64.21 62.81 1j03 n SER 17 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1j03 n LYS 18 N -1.19 1.18 -2.05 1.43 4.01 -1.26 -4.92 118.16 115.35 1j03 n LYS 18 Ca 0.13 0.42 -0.32 0.00 -0.51 0.00 0.00 58.31 58.02 1j03 n LYS 18 Cb 0.60 -1.87 0.01 0.00 -0.51 0.00 0.00 35.03 33.25 1j03 n LYS 18 CO 0.00 0.00 0.00 -1.25 -1.11 0.00 0.00 177.40 175.04 1j03 s PRO 19 N -0.65 3.36 -0.31 1.97 0.04 -1.26 -4.52 135.00 133.63 1j03 s PRO 19 Ca 0.70 1.16 -0.14 0.00 0.04 0.00 0.00 61.00 62.76 1j03 s PRO 19 Cb -0.82 -2.04 -0.03 0.00 0.04 0.00 0.00 34.50 31.65 1j03 s PRO 19 CO 0.54 -0.77 0.30 0.42 0.04 0.00 0.00 177.00 177.53 1j03 s ILE 20 N -2.51 5.22 -0.06 0.56 1.09 -1.26 -4.06 121.20 120.18 1j03 s ILE 20 Ca 0.63 0.17 0.02 0.00 -1.10 0.00 0.00 60.65 60.37 1j03 s ILE 20 Cb -0.15 -3.70 0.02 0.00 -1.06 0.00 0.00 42.46 37.57 1j03 s ILE 20 CO 0.38 0.07 -0.10 -0.31 -0.10 0.00 0.00 174.94 174.88 1j03 s TYR 21 N 1.92 1.28 0.49 3.97 2.02 0.23 -3.78 117.35 123.48 1j03 s TYR 21 Ca 0.10 -0.46 0.07 0.00 -0.37 0.00 0.00 57.07 56.42 1j03 s TYR 21 Cb -0.16 -0.97 0.02 0.00 -0.40 0.00 0.00 41.96 40.45 1j03 s TYR 21 CO 0.11 -0.26 0.47 0.08 -1.57 0.00 0.00 175.55 174.38 1j03 s VAL 22 N 0.75 2.21 0.02 0.71 1.01 -0.23 -3.01 120.40 121.86 1j03 s VAL 22 Ca -0.13 -1.33 0.03 0.00 0.00 0.00 0.00 61.98 60.55 1j03 s VAL 22 Cb -0.15 -2.53 -0.01 0.00 0.00 0.00 0.00 36.38 33.68 1j03 s VAL 22 CO 0.03 0.00 -0.09 0.00 0.00 0.00 0.00 175.10 175.04 1j03 s ALA 23 N -2.61 0.72 -0.21 5.51 0.00 -1.20 -0.92 121.76 123.04 1j03 s ALA 23 Ca 0.46 -0.53 -0.04 0.00 0.00 0.00 0.00 51.96 51.85 1j03 s ALA 23 Cb -0.03 -0.11 0.10 0.00 0.00 0.00 0.00 23.12 23.08 1j03 s ALA 23 CO 0.28 0.12 0.30 0.42 0.00 0.00 0.00 175.76 176.88 1j03 s ILE 24 N -0.61 -0.46 -1.69 0.00 1.01 0.20 -3.23 121.20 116.42 1j03 s ILE 24 Ca -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 60.65 60.63 1j03 s ILE 24 Cb -0.06 -0.69 0.00 0.00 0.01 0.00 0.00 42.46 41.73 1j03 s ILE 24 CO 0.00 -0.11 0.00 0.29 0.00 0.00 0.00 174.94 175.13 1j03 n LYS 25 N 5.35 -1.59 -0.13 2.79 5.02 -1.26 0.12 118.16 128.45 1j03 n LYS 25 Ca -0.05 1.06 0.00 0.00 -2.02 0.00 0.00 58.31 57.30 1j03 n LYS 25 Cb 0.50 -5.47 0.00 0.00 -0.02 0.00 0.00 35.03 30.04 1j03 n LYS 25 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1j03 n GLY 26 N -0.05 0.93 3.38 0.72 0.00 -1.26 -4.88 105.19 104.03 1j03 n GLY 26 Ca -0.16 -0.09 -0.34 0.00 0.00 0.00 0.00 46.02 45.44 1j03 n GLY 26 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1j03 s ARG 27 N -0.49 3.46 -0.21 1.61 3.52 0.12 0.22 118.95 127.18 1j03 s ARG 27 Ca 0.00 -0.62 -0.26 0.00 -0.13 0.00 0.00 55.73 54.72 1j03 s ARG 27 Cb 0.00 -2.83 -0.01 0.00 -1.56 0.00 0.00 34.95 30.55 1j03 s ARG 27 CO 0.00 0.08 0.88 0.08 -0.81 0.00 0.00 175.30 175.53 1j03 s VAL 28 N 0.73 4.82 0.17 7.11 1.01 0.77 0.58 120.40 135.59 1j03 s VAL 28 Ca -0.03 1.70 0.10 0.00 0.00 0.00 0.00 61.98 63.75 1j03 s VAL 28 Cb -0.15 -4.17 -0.04 0.00 0.00 0.00 0.00 36.38 32.02 1j03 s VAL 28 CO 0.02 -0.05 -0.18 -0.36 0.00 0.00 0.00 175.10 174.52 1j03 s PHE 29 N 2.63 2.45 -0.22 5.22 0.08 -0.10 -3.02 117.98 125.03 1j03 s PHE 29 Ca 0.38 -0.30 -0.11 0.00 0.12 0.00 0.00 56.93 57.03 1j03 s PHE 29 Cb -0.16 -1.24 -0.05 0.00 -0.57 0.00 0.00 43.02 41.01 1j03 s PHE 29 CO 0.09 0.47 0.18 0.34 -0.10 0.00 0.00 175.22 176.20 1j03 s ASP 30 N -2.57 6.20 0.00 1.36 -1.08 0.14 -1.06 116.67 119.66 1j03 s ASP 30 Ca 0.21 0.22 0.00 0.00 -0.52 0.00 0.00 52.55 52.46 1j03 s ASP 30 Cb -0.09 -2.12 0.00 0.00 -1.46 0.00 0.00 42.92 39.26 1j03 s ASP 30 CO 0.11 0.10 0.51 1.33 0.52 0.00 0.00 175.17 177.74 1j03 n VAL 31 N 3.94 0.26 0.08 1.11 0.24 -1.25 -3.52 118.33 119.20 1j03 n VAL 31 Ca -0.15 -0.38 0.21 0.00 -2.04 0.00 0.00 64.34 61.98 1j03 n VAL 31 Cb 0.52 1.11 0.72 0.00 -1.47 0.00 0.00 33.84 34.71 1j03 n VAL 31 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1j03 h THR 32 N 1.02 0.30 0.00 3.34 1.03 -1.91 0.35 112.91 117.04 1j03 h THR 32 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.40 1j03 h THR 32 Cb 0.51 0.58 0.00 0.00 -1.07 0.00 0.00 68.15 68.17 1j03 h THR 32 CO 0.00 0.00 0.08 0.35 -0.01 0.00 0.00 175.52 175.94 1j03 n THR 33 N -3.59 1.46 -2.70 0.00 -2.24 -1.26 -1.79 114.28 104.15 1j03 n THR 33 Ca 0.08 0.44 -0.05 0.00 -2.27 0.00 0.00 64.05 62.25 1j03 n THR 33 Cb 0.70 -1.44 0.10 0.00 -2.10 0.00 0.00 70.33 67.58 1j03 n THR 33 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1j03 n GLY 34 N -1.35 1.59 0.39 3.38 0.00 0.12 -4.93 105.19 104.39 1j03 n GLY 34 Ca 0.00 -0.47 0.19 0.00 0.00 0.00 0.00 46.02 45.74 1j03 n GLY 34 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1j03 h LYS 35 N 2.03 0.00 0.00 1.61 2.10 -1.34 0.92 116.57 121.89 1j03 h LYS 35 Ca -0.27 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.38 1j03 h LYS 35 Cb 1.27 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.60 1j03 h LYS 35 CO 0.04 0.00 0.11 0.77 -2.00 0.00 0.00 179.45 178.37 1j03 h SER 36 N 0.00 0.00 0.00 7.07 0.02 -1.90 4.19 113.55 122.94 1j03 h SER 36 Ca 0.18 0.00 -0.25 0.00 -0.84 0.00 0.00 61.79 60.89 1j03 h SER 36 Cb 1.32 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.82 1j03 h SER 36 CO -0.00 0.00 -1.89 0.49 -1.14 0.00 0.00 176.83 174.29 1j03 n PHE 37 N -2.80 0.00 0.00 3.45 3.01 0.32 -4.28 117.46 117.15 1j03 n PHE 37 Ca -0.02 0.00 -0.21 0.00 1.01 0.00 0.00 57.45 58.23 1j03 n PHE 37 Cb 0.16 -0.59 -0.14 0.00 -0.01 0.00 0.00 39.48 38.90 1j03 n PHE 37 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 1j03 n TYR 38 N -3.28 1.24 -0.62 1.38 4.01 -1.00 0.26 117.16 119.15 1j03 n TYR 38 Ca -0.29 0.26 -0.19 0.00 -0.16 0.00 0.00 57.90 57.52 1j03 n TYR 38 Cb 0.76 -1.16 0.12 0.00 -0.31 0.00 0.00 39.34 38.75 1j03 n TYR 38 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1j03 n GLY 39 N 2.00 -2.33 3.04 2.72 0.00 1.38 -4.36 105.19 107.64 1j03 n GLY 39 Ca -0.32 -0.64 -0.49 0.00 0.00 0.00 0.00 46.02 44.58 1j03 n GLY 39 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1j03 n SER 40 N -0.29 -0.36 -2.76 1.61 3.41 0.27 -2.82 113.62 112.67 1j03 n SER 40 Ca 0.04 1.01 -0.07 0.00 -0.26 0.00 0.00 58.87 59.59 1j03 n SER 40 Cb 0.37 -0.81 0.01 0.00 -0.26 0.00 0.00 64.21 63.51 1j03 n SER 40 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1j03 n GLY 41 N 1.46 0.03 3.63 5.00 0.00 -1.26 -4.95 105.19 109.10 1j03 n GLY 41 Ca 0.17 0.20 -0.12 0.00 0.00 0.00 0.00 46.02 46.27 1j03 n GLY 41 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1j03 s GLY 42 N -0.89 0.97 0.23 -0.02 0.00 -1.13 -4.91 107.32 101.58 1j03 s GLY 42 Ca 0.07 -1.16 -0.15 0.00 0.00 0.00 0.00 44.72 43.48 1j03 s GLY 42 CO 0.15 -0.69 1.46 1.34 0.00 0.00 0.00 173.10 175.36 1j03 n ASP 43 N -1.34 -0.55 -3.50 1.64 -0.08 0.72 -0.15 116.55 113.29 1j03 n ASP 43 Ca -0.03 1.64 -0.39 0.00 -1.51 0.00 0.00 54.79 54.50 1j03 n ASP 43 Cb 0.61 -0.40 0.01 0.00 2.34 0.00 0.00 41.12 43.68 1j03 n ASP 43 CO 0.00 0.00 0.00 -1.22 0.12 0.00 0.00 177.20 176.10 1j03 n TYR 44 N -5.42 2.99 0.09 -0.67 4.01 0.52 -4.68 117.16 114.00 1j03 n TYR 44 Ca 0.11 -2.78 -0.06 0.00 -0.16 0.00 0.00 57.90 55.01 1j03 n TYR 44 Cb 0.40 -1.08 0.05 0.00 -0.31 0.00 0.00 39.34 38.40 1j03 n TYR 44 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 1j03 h SER 45 N 3.96 0.18 1.18 7.72 0.87 -0.65 -0.12 113.55 126.69 1j03 h SER 45 Ca 0.48 -0.13 -0.15 0.00 -1.23 0.00 0.00 61.79 60.75 1j03 h SER 45 Cb 0.34 -0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 62.22 1j03 h SER 45 CO 1.13 0.87 -0.85 0.00 -0.53 0.00 0.00 176.83 177.45 1j03 h MET 46 N 0.09 0.00 0.11 2.24 -0.00 -1.83 -3.30 114.93 112.24 1j03 h MET 46 Ca -0.02 0.00 -0.29 0.00 -0.00 0.00 0.00 59.70 59.39 1j03 h MET 46 Cb 1.34 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 32.93 1j03 h MET 46 CO 0.11 0.60 -1.39 0.74 -0.00 0.00 0.00 176.91 176.97 1j03 h PHE 47 N 0.00 0.44 -1.52 -0.10 0.04 -1.82 -3.42 116.94 110.56 1j03 h PHE 47 Ca -0.05 -0.32 -0.72 0.00 2.80 0.00 0.00 57.97 59.68 1j03 h PHE 47 Cb 1.55 -0.02 0.04 0.00 2.20 0.00 0.00 35.95 39.73 1j03 h PHE 47 CO 0.00 1.31 0.51 0.00 -0.60 0.00 0.00 178.31 179.53 1j03 n ALA 48 N -2.59 -1.21 -2.81 2.45 0.00 -0.06 0.12 120.51 116.40 1j03 n ALA 48 Ca -0.12 0.50 -0.20 0.00 0.00 0.00 0.00 53.44 53.62 1j03 n ALA 48 Cb 1.03 -2.06 0.01 0.00 0.00 0.00 0.00 19.45 18.43 1j03 n ALA 48 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1j03 n GLY 49 N 2.82 -0.51 3.42 0.00 0.00 -1.16 -4.71 105.19 105.05 1j03 n GLY 49 Ca 0.21 0.06 -0.15 0.00 0.00 0.00 0.00 46.02 46.14 1j03 n GLY 49 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1j03 s LYS 50 N -5.46 1.00 -0.88 1.61 1.02 0.32 -4.19 119.74 113.16 1j03 s LYS 50 Ca 0.18 -0.05 -0.20 0.00 0.02 0.00 0.00 55.97 55.92 1j03 s LYS 50 Cb -0.09 0.46 0.11 0.00 -0.52 0.00 0.00 37.83 37.79 1j03 s LYS 50 CO 0.23 -0.34 1.13 0.34 -0.92 0.00 0.00 175.35 175.79 1j03 s ASP 51 N -1.61 6.52 -0.35 2.83 -1.08 -1.26 -3.25 116.67 118.47 1j03 s ASP 51 Ca -0.08 -1.77 -0.05 0.00 -0.52 0.00 0.00 52.55 50.12 1j03 s ASP 51 Cb -0.01 -2.42 -0.10 0.00 -1.46 0.00 0.00 42.92 38.93 1j03 s ASP 51 CO 0.03 -1.19 3.17 0.00 0.52 0.00 0.00 175.17 177.70 1j03 n ALA 52 N 7.03 6.51 -0.03 3.66 0.00 -1.20 0.14 120.51 136.62 1j03 n ALA 52 Ca 0.19 -2.56 -0.15 0.00 0.00 0.00 0.00 53.44 50.93 1j03 n ALA 52 Cb 0.49 -2.33 -0.11 0.00 0.00 0.00 0.00 19.45 17.49 1j03 n ALA 52 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1j03 h SER 53 N 3.20 0.19 -0.07 0.00 4.64 -1.76 -1.60 113.55 118.15 1j03 h SER 53 Ca 0.34 -0.76 -0.01 0.00 -0.47 0.00 0.00 61.79 60.89 1j03 h SER 53 Cb 1.05 -0.06 -0.00 0.00 -0.31 0.00 0.00 62.40 63.08 1j03 h SER 53 CO 0.65 0.92 -0.01 0.03 -0.87 0.00 0.00 176.83 177.55 1j03 h ARG 54 N -0.52 0.12 -0.19 4.77 3.08 -1.77 0.11 114.38 119.98 1j03 h ARG 54 Ca -0.02 -0.04 0.01 0.00 0.07 0.00 0.00 59.98 59.99 1j03 h ARG 54 Cb 0.94 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.98 1j03 h ARG 54 CO 0.04 0.44 0.13 0.00 -1.07 0.00 0.00 179.97 179.51 1j03 h ALA 55 N 0.68 1.92 -0.11 0.04 0.00 -1.72 -0.90 119.26 119.18 1j03 h ALA 55 Ca 0.02 -0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.74 1j03 h ALA 55 Cb 0.39 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.13 1j03 h ALA 55 CO 0.01 0.06 -0.63 -0.07 0.00 0.00 0.00 179.25 178.61 1j03 h LEU 56 N 0.21 0.75 0.00 0.00 3.38 -0.98 0.14 115.31 118.81 1j03 h LEU 56 Ca 0.08 -0.65 0.00 0.00 0.09 0.00 0.00 57.88 57.40 1j03 h LEU 56 Cb 0.04 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.57 1j03 h LEU 56 CO -0.01 1.28 0.00 0.61 0.09 0.00 0.00 178.44 180.40 1j03 n GLY 57 N 0.75 -2.78 0.33 0.83 0.00 0.37 -2.96 105.19 101.72 1j03 n GLY 57 Ca -0.08 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.13 1j03 n GLY 57 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1j03 h LYS 58 N 0.00 0.00 -4.29 1.61 6.56 -1.43 -3.42 116.57 115.59 1j03 h LYS 58 Ca 0.00 0.00 -0.18 0.00 -1.06 0.00 0.00 60.65 59.41 1j03 h LYS 58 Cb 0.00 0.00 0.11 0.00 -0.57 0.00 0.00 32.23 31.77 1j03 h LYS 58 CO 0.00 0.00 -0.48 -1.33 -2.06 0.00 0.00 179.45 175.58 1j03 n MET 59 N -3.35 -3.05 -0.00 3.15 2.81 0.27 -4.95 117.12 111.99 1j03 n MET 59 Ca -0.02 0.52 0.06 0.00 -1.81 0.00 0.00 57.70 56.44 1j03 n MET 59 Cb 0.16 -4.38 -0.08 0.00 -0.71 0.00 0.00 33.22 28.21 1j03 n MET 59 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1j03 n SER 60 N -2.37 1.54 -1.47 7.83 2.88 -0.02 -4.96 113.62 117.05 1j03 n SER 60 Ca -0.13 -0.33 -0.14 0.00 -1.33 0.00 0.00 58.87 56.94 1j03 n SER 60 Cb 0.59 1.31 -0.05 0.00 -0.75 0.00 0.00 64.21 65.30 1j03 n SER 60 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 1j03 n LYS 61 N -1.63 -1.36 -2.30 -1.46 2.85 -1.14 -4.87 118.16 108.25 1j03 n LYS 61 Ca -0.00 0.79 -0.41 0.00 -1.05 0.00 0.00 58.31 57.64 1j03 n LYS 61 Cb 0.25 -5.07 -0.03 0.00 -0.65 0.00 0.00 35.03 29.53 1j03 n LYS 61 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 177.40 176.55 1j03 s ASN 62 N -2.14 7.02 0.54 -5.58 -0.87 -1.26 -4.85 114.94 107.80 1j03 s ASN 62 Ca 0.00 2.47 0.33 0.00 -1.57 0.00 0.00 52.86 54.09 1j03 s ASN 62 Cb 0.00 -2.64 1.33 0.00 -0.02 0.00 0.00 41.25 39.92 1j03 s ASN 62 CO 0.00 -0.34 1.97 -0.08 -2.57 0.00 0.00 177.10 176.08 1j03 h GLU 63 N 3.67 0.00 0.00 -0.60 4.22 -1.91 -2.22 114.58 117.75 1j03 h GLU 63 Ca -0.48 0.00 -0.02 0.00 0.08 0.00 0.00 59.36 58.95 1j03 h GLU 63 Cb 1.22 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.47 1j03 h GLU 63 CO 0.67 0.02 -1.10 0.39 -2.18 0.00 0.00 179.01 176.81 1j03 n GLU 64 N -3.13 0.61 -0.03 1.92 -0.58 -1.26 -4.07 120.64 114.10 1j03 n GLU 64 Ca 0.00 0.12 -0.15 0.00 -0.42 0.00 0.00 57.16 56.72 1j03 n GLU 64 Cb 0.32 -1.81 -0.10 0.00 -0.57 0.00 0.00 31.44 29.28 1j03 n GLU 64 CO 0.00 0.00 0.00 -0.44 -0.48 0.00 0.00 177.13 176.21 1j03 h ASP 65 N 0.00 0.30 -1.35 1.62 5.19 -1.79 -3.44 116.42 116.96 1j03 h ASP 65 Ca -0.02 -0.64 -0.71 0.00 -0.62 0.00 0.00 57.03 55.04 1j03 h ASP 65 Cb 1.06 -0.09 0.00 0.00 0.18 0.00 0.00 39.33 40.49 1j03 h ASP 65 CO 0.00 0.90 1.11 0.55 -3.12 0.00 0.00 179.24 178.68 1j03 n VAL 66 N -4.51 0.28 -4.27 -1.35 3.14 -1.03 -4.12 118.33 106.47 1j03 n VAL 66 Ca -0.08 -0.12 -0.21 0.00 -2.96 0.00 0.00 64.34 60.97 1j03 n VAL 66 Cb 0.45 -1.37 -0.16 0.00 -1.06 0.00 0.00 33.84 31.70 1j03 n VAL 66 CO 0.00 0.00 0.00 -0.55 -6.46 0.00 0.00 176.83 169.82 1j03 s SER 67 N 4.90 1.15 0.00 6.55 0.15 0.38 -4.78 113.70 122.05 1j03 s SER 67 Ca 1.03 -0.17 0.09 0.00 0.70 0.00 0.00 55.95 57.60 1j03 s SER 67 Cb -1.00 -0.54 0.56 0.00 -1.71 0.00 0.00 66.02 63.33 1j03 s SER 67 CO 0.60 -0.03 1.16 -0.81 1.20 0.00 0.00 173.24 175.36 1j03 n PRO 68 N 3.98 0.75 -3.72 5.44 -0.04 -1.26 -4.33 135.00 135.82 1j03 n PRO 68 Ca -0.24 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.06 1j03 n PRO 68 Cb 0.51 -1.20 -0.15 0.00 -0.04 0.00 0.00 33.50 32.62 1j03 n PRO 68 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1j03 s SER 69 N -1.54 0.25 -0.36 3.54 1.04 -1.26 -4.46 113.70 110.91 1j03 s SER 69 Ca 0.14 0.25 -0.05 0.00 0.48 0.00 0.00 55.95 56.77 1j03 s SER 69 Cb 0.06 0.14 -0.05 0.00 0.10 0.00 0.00 66.02 66.28 1j03 s SER 69 CO 0.11 -0.18 3.05 0.00 0.98 0.00 0.00 173.24 177.20 1j03 n LEU 70 N 4.60 6.16 -2.53 2.42 -0.00 -1.26 -4.67 117.00 121.71 1j03 n LEU 70 Ca -0.19 -3.81 -0.26 0.00 -0.00 0.00 0.00 56.01 51.75 1j03 n LEU 70 Cb 0.51 -1.31 -0.07 0.00 -0.00 0.00 0.00 43.42 42.55 1j03 n LEU 70 CO 0.14 1.74 1.71 -1.84 -0.00 0.00 0.00 177.39 179.14 1j03 n GLU 71 N 1.51 2.60 0.00 1.47 0.28 -1.26 -3.76 120.64 121.49 1j03 n GLU 71 Ca 0.48 -2.25 0.00 0.00 -0.16 0.00 0.00 57.16 55.23 1j03 n GLU 71 Cb 0.66 -2.19 0.00 0.00 1.43 0.00 0.00 31.44 31.34 1j03 n GLU 71 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1j03 n GLY 72 N 1.28 0.20 2.76 -1.84 0.00 -1.26 -5.11 105.19 101.21 1j03 n GLY 72 Ca 0.50 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 46.02 1j03 n GLY 72 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1j03 n LEU 73 N 0.00 0.84 0.00 0.99 7.99 -1.25 -4.89 117.00 120.68 1j03 n LEU 73 Ca 0.00 0.81 -0.25 0.00 -0.01 0.00 0.00 56.01 56.56 1j03 n LEU 73 Cb 0.00 -0.67 0.14 0.00 -0.11 0.00 0.00 43.42 42.78 1j03 n LEU 73 CO 0.00 -0.63 0.65 1.07 -1.51 0.00 0.00 177.39 176.98 1j03 n THR 74 N 3.48 0.00 -0.26 -5.08 5.66 -1.26 -4.76 114.28 112.06 1j03 n THR 74 Ca 0.28 -1.47 -0.07 0.00 -3.05 0.00 0.00 64.05 59.74 1j03 n THR 74 Cb -0.04 -1.03 0.05 0.00 -1.55 0.00 0.00 70.33 67.76 1j03 n THR 74 CO 0.00 0.00 0.00 -0.33 -3.05 0.00 0.00 175.07 171.69 1j03 h GLU 75 N 0.00 1.13 -0.36 1.09 5.08 -1.96 1.73 114.58 121.30 1j03 h GLU 75 Ca -0.36 -0.25 0.08 0.00 -1.00 0.00 0.00 59.36 57.82 1j03 h GLU 75 Cb 1.24 -0.16 -0.08 0.00 0.50 0.00 0.00 28.75 30.26 1j03 h GLU 75 CO 0.35 0.98 -0.18 1.57 -1.00 0.00 0.00 179.01 180.73 1j03 h LYS 76 N 1.07 -0.11 0.21 2.33 2.10 -1.98 1.14 116.57 121.34 1j03 h LYS 76 Ca 0.23 0.01 -0.28 0.00 -2.00 0.00 0.00 60.65 58.61 1j03 h LYS 76 Cb 0.33 0.03 0.03 0.00 -0.90 0.00 0.00 32.23 31.72 1j03 h LYS 76 CO -0.00 -0.08 -1.23 1.05 -2.00 0.00 0.00 179.45 177.19 1j03 h GLU 77 N -0.12 0.45 -0.54 0.07 4.11 -1.76 -3.27 114.58 113.52 1j03 h GLU 77 Ca 0.18 -0.77 0.10 0.00 0.07 0.00 0.00 59.36 58.93 1j03 h GLU 77 Cb 0.39 0.29 -0.08 0.00 0.50 0.00 0.00 28.75 29.85 1j03 h GLU 77 CO -0.43 1.37 0.10 0.82 0.07 0.00 0.00 179.01 180.94 1j03 h ILE 78 N -0.05 0.68 -0.33 -1.06 1.08 0.31 7.79 117.51 125.93 1j03 h ILE 78 Ca -0.21 -0.08 0.07 0.00 -0.39 0.00 0.00 64.86 64.25 1j03 h ILE 78 Cb 1.97 0.42 -0.08 0.00 -3.07 0.00 0.00 36.82 36.06 1j03 h ILE 78 CO 0.23 0.04 -0.27 0.78 -0.69 0.00 0.00 178.15 178.24 1j03 h ASN 79 N 0.24 -0.90 0.08 1.72 2.35 0.13 3.01 115.58 122.20 1j03 h ASN 79 Ca 0.28 0.16 -0.11 0.00 -0.55 0.00 0.00 56.30 56.08 1j03 h ASN 79 Cb 0.39 0.43 0.01 0.00 0.05 0.00 0.00 38.32 39.20 1j03 h ASN 79 CO -0.37 -0.29 -0.48 0.74 -1.65 0.00 0.00 177.43 175.38 1j03 h THR 80 N -0.24 1.61 0.61 2.81 2.02 -1.25 -2.46 112.91 116.01 1j03 h THR 80 Ca 0.16 -2.41 -0.02 0.00 0.77 0.00 0.00 66.41 64.91 1j03 h THR 80 Cb 0.50 3.22 -0.01 0.00 -1.74 0.00 0.00 68.15 70.11 1j03 h THR 80 CO -0.46 0.66 -0.46 0.25 0.37 0.00 0.00 175.52 175.87 1j03 h LEU 81 N -0.59 -1.22 -0.30 2.58 7.12 1.68 3.08 115.31 127.65 1j03 h LEU 81 Ca -0.08 0.08 0.07 0.00 0.13 0.00 0.00 57.88 58.08 1j03 h LEU 81 Cb 1.36 0.38 -0.07 0.00 -0.53 0.00 0.00 40.66 41.79 1j03 h LEU 81 CO 0.09 -0.67 -0.18 -1.13 -0.13 0.00 0.00 178.44 176.42 1j03 h ASN 82 N -1.04 -0.59 -0.07 1.25 -0.73 0.54 0.25 115.58 115.18 1j03 h ASN 82 Ca -0.07 0.13 -0.05 0.00 1.87 0.00 0.00 56.30 58.18 1j03 h ASN 82 Cb 0.87 0.31 -0.01 0.00 0.27 0.00 0.00 38.32 39.75 1j03 h ASN 82 CO 0.02 -0.22 -0.07 -0.78 -0.37 0.00 0.00 177.43 176.01 1j03 h ASP 83 N -0.14 0.31 -0.85 1.15 3.58 -1.11 -1.28 116.42 118.06 1j03 h ASP 83 Ca 0.16 -0.06 0.04 0.00 0.42 0.00 0.00 57.03 57.59 1j03 h ASP 83 Cb 0.39 -0.08 -0.05 0.00 1.72 0.00 0.00 39.33 41.31 1j03 h ASP 83 CO -0.39 0.42 0.56 -0.50 -2.88 0.00 0.00 179.24 176.45 1j03 h TRP 84 N 0.32 1.02 -0.47 0.28 -0.00 0.88 0.89 115.95 118.88 1j03 h TRP 84 Ca 0.07 0.03 -0.00 0.00 -0.00 0.00 0.00 58.89 58.98 1j03 h TRP 84 Cb 0.33 -0.34 -0.02 0.00 -0.00 0.00 0.00 29.16 29.13 1j03 h TRP 84 CO 0.01 0.59 0.29 1.49 -0.00 0.00 0.00 178.44 180.81 1j03 h GLU 85 N 1.06 0.64 -0.29 0.49 4.22 0.28 0.82 114.58 121.78 1j03 h GLU 85 Ca 0.34 -0.06 -0.08 0.00 0.08 0.00 0.00 59.36 59.65 1j03 h GLU 85 Cb 0.04 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.14 1j03 h GLU 85 CO -0.10 0.46 -0.15 1.15 -2.18 0.00 0.00 179.01 178.19 1j03 h THR 86 N 0.63 1.24 -0.12 0.32 2.02 -1.08 1.35 112.91 117.27 1j03 h THR 86 Ca 0.17 -1.08 -0.16 0.00 0.77 0.00 0.00 66.41 66.11 1j03 h THR 86 Cb -0.01 1.18 0.01 0.00 -1.74 0.00 0.00 68.15 67.58 1j03 h THR 86 CO -0.03 0.35 -0.57 0.11 0.37 0.00 0.00 175.52 175.75 1j03 h LYS 87 N 0.47 0.59 -0.13 6.66 1.57 -0.21 0.50 116.57 126.02 1j03 h LYS 87 Ca 0.08 -0.48 -0.15 0.00 -1.87 0.00 0.00 60.65 58.23 1j03 h LYS 87 Cb 0.53 0.10 0.01 0.00 0.08 0.00 0.00 32.23 32.95 1j03 h LYS 87 CO 0.03 1.10 -0.51 0.74 -0.57 0.00 0.00 179.45 180.25 1j03 h PHE 88 N 0.23 0.77 0.00 -1.35 -1.00 0.92 -1.80 116.94 114.71 1j03 h PHE 88 Ca -0.04 -0.32 0.00 0.00 2.81 0.00 0.00 57.97 60.42 1j03 h PHE 88 Cb 1.21 -0.13 0.00 0.00 3.61 0.00 0.00 35.95 40.64 1j03 h PHE 88 CO 0.11 1.10 0.00 1.05 -1.61 0.00 0.00 178.31 178.96 1j03 h GLU 89 N 0.22 0.00 0.00 1.51 -0.00 0.17 2.57 114.58 119.05 1j03 h GLU 89 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.33 1j03 h GLU 89 Cb 1.14 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.89 1j03 h GLU 89 CO 0.11 0.00 -0.67 0.00 -0.00 0.00 0.00 179.01 178.44 1j03 h ALA 90 N 2.03 0.59 0.00 1.06 0.00 -0.77 -3.41 119.26 118.75 1j03 h ALA 90 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1j03 h ALA 90 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1j03 h ALA 90 CO 0.00 0.00 -0.11 1.63 0.00 0.00 0.00 179.25 180.77 1j03 n LYS 91 N -2.29 0.06 -2.40 0.00 4.76 -0.69 -5.03 118.16 112.57 1j03 n LYS 91 Ca 0.03 0.02 -0.41 0.00 -2.87 0.00 0.00 58.31 55.08 1j03 n LYS 91 Cb 0.47 -0.39 -0.04 0.00 -1.84 0.00 0.00 35.03 33.23 1j03 n LYS 91 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 1j03 s TYR 92 N -1.51 3.47 0.16 2.13 2.02 0.86 -4.99 117.35 119.47 1j03 s TYR 92 Ca -0.03 1.56 -0.30 0.00 -0.37 0.00 0.00 57.07 57.93 1j03 s TYR 92 Cb 0.00 -3.38 -0.07 0.00 -0.40 0.00 0.00 41.96 38.11 1j03 s TYR 92 CO 0.05 -0.93 1.13 -1.25 -1.57 0.00 0.00 175.55 172.98 1j03 s PRO 93 N -0.98 4.55 -0.49 -1.71 0.04 -1.23 -4.14 135.00 131.04 1j03 s PRO 93 Ca 0.48 1.74 -0.25 0.00 0.04 0.00 0.00 61.00 63.02 1j03 s PRO 93 Cb -0.33 -3.29 0.03 0.00 0.04 0.00 0.00 34.50 30.95 1j03 s PRO 93 CO 0.40 -0.01 0.92 0.08 0.04 0.00 0.00 177.00 178.44 1j03 s VAL 94 N 0.03 4.46 -1.62 -0.36 1.01 -1.26 0.25 120.40 122.91 1j03 s VAL 94 Ca 0.51 0.58 0.28 0.00 0.00 0.00 0.00 61.98 63.36 1j03 s VAL 94 Cb -0.30 -4.46 0.40 0.00 0.00 0.00 0.00 36.38 32.02 1j03 s VAL 94 CO 0.34 -0.91 1.80 1.33 0.00 0.00 0.00 175.10 177.65 1j03 n VAL 95 N 6.34 0.00 -1.49 2.92 0.24 -1.17 -4.99 118.33 120.18 1j03 n VAL 95 Ca 0.05 -0.07 0.00 0.00 -2.04 0.00 0.00 64.34 62.28 1j03 n VAL 95 Cb 0.48 -0.02 0.00 0.00 -1.47 0.00 0.00 33.84 32.83 1j03 n VAL 95 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1j03 n GLY 96 N 1.31 -0.77 3.55 7.63 0.00 -1.23 -2.82 105.19 112.85 1j03 n GLY 96 Ca 0.13 -1.53 -0.32 0.00 0.00 0.00 0.00 46.02 44.31 1j03 n GLY 96 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1j03 s ARG 97 N -1.85 2.38 -0.17 1.61 1.04 -1.26 -0.16 118.95 120.54 1j03 s ARG 97 Ca 0.00 -0.82 -0.29 0.00 -1.04 0.00 0.00 55.73 53.58 1j03 s ARG 97 Cb 0.00 -2.39 -0.05 0.00 -2.04 0.00 0.00 34.95 30.47 1j03 s ARG 97 CO 0.00 0.58 2.08 0.08 -0.04 0.00 0.00 175.30 178.00 1j03 s VAL 98 N -0.99 3.10 -0.42 4.99 1.01 0.61 -2.44 120.40 126.26 1j03 s VAL 98 Ca 0.17 0.11 -0.08 0.00 0.00 0.00 0.00 61.98 62.17 1j03 s VAL 98 Cb -0.11 -3.11 0.09 0.00 0.00 0.00 0.00 36.38 33.25 1j03 s VAL 98 CO 0.07 -0.06 0.25 0.68 0.00 0.00 0.00 175.10 176.04 1j03 s VAL 99 N 7.08 4.05 -2.00 2.92 -7.23 -0.00 -4.78 120.40 120.44 1j03 s VAL 99 Ca 0.94 -1.53 0.31 0.00 -1.81 0.00 0.00 61.98 59.89 1j03 s VAL 99 Cb -0.34 -3.53 0.88 0.00 0.56 0.00 0.00 36.38 33.95 1j03 s VAL 99 CO 0.36 -0.54 2.17 -1.54 -0.31 0.00 0.00 175.10 175.24