#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 0.60 0.03 1.61 -0.04 -1.26 -4.93 135.00 131.00 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 0.28 0.00 -0.04 0.00 0.00 33.50 33.74 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 0.45 -4.56 0.54 2.86 -1.95 -3.48 114.93 108.80 1j03 h MET 1 Ca 0.00 -0.12 0.00 0.00 -2.06 0.00 0.00 59.70 57.52 1j03 h MET 1 Cb 0.00 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 31.61 1j03 h MET 1 CO 0.00 0.57 -0.90 0.39 1.06 0.00 0.00 176.91 178.03 1j03 n GLU 2 N -4.22 -4.96 -4.44 1.72 1.02 -1.26 -4.94 120.64 103.56 1j03 n GLU 2 Ca 0.00 3.56 -0.34 0.00 -0.02 0.00 0.00 57.16 60.36 1j03 n GLU 2 Cb 0.31 -4.27 -0.12 0.00 -0.02 0.00 0.00 31.44 27.34 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 -0.53 3.01 0.61 -0.32 0.40 -1.08 -4.84 117.98 115.23 1j03 s PHE 3 Ca 0.00 -0.31 -0.15 0.00 -0.60 0.00 0.00 56.93 55.87 1j03 s PHE 3 Cb 0.00 -1.94 -0.03 0.00 0.51 0.00 0.00 43.02 41.56 1j03 s PHE 3 CO 0.00 -0.04 1.05 0.95 0.70 0.00 0.00 175.22 177.89 1j03 s THR 4 N 0.32 3.91 0.49 0.64 -4.23 -1.26 -2.63 115.64 112.88 1j03 s THR 4 Ca -0.04 0.85 0.22 0.00 -1.18 0.00 0.00 61.69 61.54 1j03 s THR 4 Cb -0.14 -3.41 0.39 0.00 1.34 0.00 0.00 72.50 70.67 1j03 s THR 4 CO 0.03 -0.59 1.95 0.00 -0.54 0.00 0.00 174.62 175.48 1j03 h ALA 5 N 0.27 2.38 -0.08 3.99 0.00 -1.93 2.00 119.26 125.88 1j03 h ALA 5 Ca -0.46 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.38 1j03 h ALA 5 Cb 1.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1j03 h ALA 5 CO 0.58 -0.56 -0.18 0.93 0.00 0.00 0.00 179.25 180.02 1j03 h GLU 6 N 0.18 0.27 -0.10 0.00 5.08 -1.96 -0.62 114.58 117.42 1j03 h GLU 6 Ca 0.32 -0.18 -0.18 0.00 -1.00 0.00 0.00 59.36 58.33 1j03 h GLU 6 Cb 1.02 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.29 1j03 h GLU 6 CO -0.05 0.77 -0.69 1.96 -1.00 0.00 0.00 179.01 180.00 1j03 h GLN 7 N -0.20 0.44 -0.13 2.33 7.50 -1.36 -2.97 115.11 120.72 1j03 h GLN 7 Ca 0.00 -0.34 -0.09 0.00 0.50 0.00 0.00 58.65 58.72 1j03 h GLN 7 Cb 0.77 0.06 -0.01 0.00 0.05 0.00 0.00 27.48 28.35 1j03 h GLN 7 CO 0.04 0.97 -0.31 1.25 -1.50 0.00 0.00 178.83 179.27 1j03 h LEU 8 N 0.31 0.25 0.00 1.46 5.85 0.31 -1.12 115.31 122.37 1j03 h LEU 8 Ca -0.02 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.61 1j03 h LEU 8 Cb 1.26 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.22 1j03 h LEU 8 CO 0.12 0.56 0.00 -0.24 -0.34 0.00 0.00 178.44 178.54 1j03 n SER 9 N -4.11 0.00 -1.31 1.25 2.88 -0.24 -2.09 113.62 110.01 1j03 n SER 9 Ca -0.01 -0.56 0.07 0.00 -1.33 0.00 0.00 58.87 57.04 1j03 n SER 9 Cb 0.41 -0.03 0.28 0.00 -0.75 0.00 0.00 64.21 64.12 1j03 n SER 9 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1j03 n GLN 10 N -1.03 3.14 -2.53 -1.46 6.02 -0.42 -4.04 117.38 117.06 1j03 n GLN 10 Ca 0.14 -2.23 -0.02 0.00 -0.01 0.00 0.00 57.00 54.88 1j03 n GLN 10 Cb 0.08 -1.76 0.05 0.00 1.02 0.00 0.00 30.24 29.62 1j03 n GLN 10 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 1j03 n TYR 11 N 0.84 1.26 0.47 1.08 4.01 -0.89 -4.67 117.16 119.27 1j03 n TYR 11 Ca 0.20 -1.94 0.04 0.00 -0.16 0.00 0.00 57.90 56.04 1j03 n TYR 11 Cb 0.72 -0.23 0.17 0.00 -0.31 0.00 0.00 39.34 39.69 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 -0.49 2.58 -1.86 7.72 0.23 -1.26 -2.58 115.26 119.60 1j03 n ASN 12 Ca 0.12 -2.25 -0.01 0.00 -0.53 0.00 0.00 54.58 51.92 1j03 n ASN 12 Cb 0.86 -0.43 -0.00 0.00 -2.08 0.00 0.00 39.78 38.12 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 0.60 -4.59 0.01 4.83 0.00 -1.26 -3.70 105.19 101.08 1j03 n GLY 13 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 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 1.08 0.00 0.00 2.61 5.66 -1.26 -1.40 114.28 120.97 1j03 n THR 14 Ca -0.04 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.96 1j03 n THR 14 Cb 0.07 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.85 1j03 n THR 14 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 1j03 n ASP 15 N -0.68 0.00 -0.04 1.09 -0.08 -1.26 -5.00 116.55 110.58 1j03 n ASP 15 Ca 0.00 0.00 -0.09 0.00 -1.51 0.00 0.00 54.79 53.19 1j03 n ASP 15 Cb 0.00 0.00 -0.03 0.00 2.34 0.00 0.00 41.12 43.43 1j03 n ASP 15 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1j03 n GLU 16 N 0.00 0.28 -0.05 -0.67 4.71 -1.26 -4.82 120.64 118.83 1j03 n GLU 16 Ca 0.00 0.11 -0.18 0.00 -0.01 0.00 0.00 57.16 57.08 1j03 n GLU 16 Cb 0.00 -0.98 -0.13 0.00 -1.01 0.00 0.00 31.44 29.32 1j03 n GLU 16 CO 0.00 0.00 0.00 0.77 0.09 0.00 0.00 177.13 177.99 1j03 h SER 17 N -0.50 0.12 -0.83 1.62 0.02 -2.01 -3.46 113.55 108.51 1j03 h SER 17 Ca -0.14 -0.82 -0.75 0.00 -0.84 0.00 0.00 61.79 59.23 1j03 h SER 17 Cb 0.83 -0.04 0.01 0.00 0.14 0.00 0.00 62.40 63.34 1j03 h SER 17 CO -0.09 1.30 0.61 0.29 -1.14 0.00 0.00 176.83 177.81 1j03 n LYS 18 N -4.38 0.00 0.00 3.45 4.76 -1.26 -4.90 118.16 115.84 1j03 n LYS 18 Ca -0.20 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.24 1j03 n LYS 18 Cb 0.66 -1.29 0.00 0.00 -1.84 0.00 0.00 35.03 32.56 1j03 n LYS 18 CO 0.00 0.00 0.00 -0.35 -1.37 0.00 0.00 177.40 175.68 1j03 n PRO 19 N 3.55 -0.43 -4.03 1.97 -0.04 -1.26 -4.73 135.00 130.03 1j03 n PRO 19 Ca 0.27 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 63.42 1j03 n PRO 19 Cb -0.05 0.00 -0.16 0.00 -0.04 0.00 0.00 33.50 33.25 1j03 n PRO 19 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1j03 s ILE 20 N -0.95 1.76 -0.05 0.52 1.09 -1.26 -4.19 121.20 118.12 1j03 s ILE 20 Ca 0.00 -0.99 0.04 0.00 -1.10 0.00 0.00 60.65 58.60 1j03 s ILE 20 Cb 0.00 -1.75 0.00 0.00 -1.06 0.00 0.00 42.46 39.65 1j03 s ILE 20 CO 0.00 0.27 -0.15 -0.31 -0.10 0.00 0.00 174.94 174.65 1j03 s TYR 21 N 1.36 1.62 0.10 3.97 2.02 -1.07 -3.25 117.35 122.12 1j03 s TYR 21 Ca 0.00 -0.51 0.07 0.00 -0.37 0.00 0.00 57.07 56.26 1j03 s TYR 21 Cb -0.15 -1.12 -0.04 0.00 -0.40 0.00 0.00 41.96 40.25 1j03 s TYR 21 CO -0.09 -0.21 -0.10 0.08 -1.57 0.00 0.00 175.55 173.66 1j03 s VAL 22 N 0.24 3.37 -0.12 0.71 1.01 0.19 -3.19 120.40 122.61 1j03 s VAL 22 Ca -0.08 -1.25 -0.03 0.00 0.00 0.00 0.00 61.98 60.63 1j03 s VAL 22 Cb -0.13 -2.57 -0.03 0.00 0.00 0.00 0.00 36.38 33.65 1j03 s VAL 22 CO 0.03 0.12 -0.03 0.00 0.00 0.00 0.00 175.10 175.22 1j03 s ALA 23 N -1.21 3.09 -0.18 5.51 0.00 -1.23 0.27 121.76 128.02 1j03 s ALA 23 Ca 0.21 -0.82 -0.05 0.00 0.00 0.00 0.00 51.96 51.30 1j03 s ALA 23 Cb -0.11 -1.50 0.07 0.00 0.00 0.00 0.00 23.12 21.58 1j03 s ALA 23 CO 0.13 0.37 0.12 0.42 0.00 0.00 0.00 175.76 176.80 1j03 s ILE 24 N -0.16 -0.14 -1.01 0.00 1.01 0.25 -2.84 121.20 118.30 1j03 s ILE 24 Ca 0.04 -0.14 0.00 0.00 0.00 0.00 0.00 60.65 60.55 1j03 s ILE 24 Cb -0.13 -0.59 0.00 0.00 0.01 0.00 0.00 42.46 41.76 1j03 s ILE 24 CO 0.02 -0.25 0.00 0.29 0.00 0.00 0.00 174.94 175.00 1j03 n LYS 25 N 5.29 -1.23 -0.10 2.79 5.02 -1.26 -0.89 118.16 127.77 1j03 n LYS 25 Ca -0.07 0.79 0.00 0.00 -2.02 0.00 0.00 58.31 57.01 1j03 n LYS 25 Cb 0.49 -4.92 0.00 0.00 -0.02 0.00 0.00 35.03 30.58 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 -0.68 0.94 3.37 0.72 0.00 -1.26 -4.84 105.19 103.45 1j03 n GLY 26 Ca -0.10 -0.05 -0.33 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.58 3.40 -0.19 1.61 3.52 -0.07 0.19 118.95 126.83 1j03 s ARG 27 Ca 0.00 -0.67 -0.25 0.00 -0.13 0.00 0.00 55.73 54.69 1j03 s ARG 27 Cb 0.00 -2.70 -0.01 0.00 -1.56 0.00 0.00 34.95 30.67 1j03 s ARG 27 CO 0.00 0.15 0.82 0.08 -0.81 0.00 0.00 175.30 175.54 1j03 s VAL 28 N 0.52 4.88 0.17 7.11 1.01 -0.11 0.85 120.40 134.83 1j03 s VAL 28 Ca -0.08 1.58 0.10 0.00 0.00 0.00 0.00 61.98 63.59 1j03 s VAL 28 Cb -0.15 -4.12 -0.04 0.00 0.00 0.00 0.00 36.38 32.07 1j03 s VAL 28 CO 0.04 0.01 -0.20 -0.36 0.00 0.00 0.00 175.10 174.58 1j03 s PHE 29 N 2.32 2.41 -0.21 5.22 0.08 0.76 -3.38 117.98 125.18 1j03 s PHE 29 Ca 0.37 -0.32 -0.12 0.00 0.12 0.00 0.00 56.93 56.98 1j03 s PHE 29 Cb -0.16 -1.22 -0.05 0.00 -0.57 0.00 0.00 43.02 41.02 1j03 s PHE 29 CO 0.11 0.47 0.20 0.34 -0.10 0.00 0.00 175.22 176.24 1j03 s ASP 30 N -2.56 6.24 0.00 1.36 -1.08 0.13 0.53 116.67 121.29 1j03 s ASP 30 Ca 0.20 0.27 0.00 0.00 -0.52 0.00 0.00 52.55 52.50 1j03 s ASP 30 Cb -0.09 -2.13 0.00 0.00 -1.46 0.00 0.00 42.92 39.24 1j03 s ASP 30 CO 0.11 0.09 0.67 1.33 0.52 0.00 0.00 175.17 177.88 1j03 n VAL 31 N 3.92 0.44 0.04 1.11 0.24 -1.20 -3.58 118.33 119.29 1j03 n VAL 31 Ca -0.14 -0.51 0.22 0.00 -2.04 0.00 0.00 64.34 61.87 1j03 n VAL 31 Cb 0.52 0.89 0.71 0.00 -1.47 0.00 0.00 33.84 34.48 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 1.06 0.33 0.00 3.34 1.03 -1.92 0.33 112.91 117.08 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 0.59 0.56 0.00 0.00 -1.07 0.00 0.00 68.15 68.23 1j03 h THR 32 CO 0.00 0.00 0.11 1.07 -0.01 0.00 0.00 175.52 176.69 1j03 n THR 33 N -3.68 1.36 -2.69 0.00 5.66 -1.26 -1.70 114.28 111.97 1j03 n THR 33 Ca 0.10 0.45 -0.06 0.00 -3.05 0.00 0.00 64.05 61.48 1j03 n THR 33 Cb 0.76 -1.45 0.10 0.00 -1.55 0.00 0.00 70.33 68.19 1j03 n THR 33 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1j03 n GLY 34 N -1.33 1.50 0.38 1.09 0.00 0.12 -4.93 105.19 102.01 1j03 n GLY 34 Ca 0.00 -0.43 0.18 0.00 0.00 0.00 0.00 46.02 45.77 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 2.11 0.00 0.00 1.61 2.10 -1.33 0.76 116.57 121.82 1j03 h LYS 35 Ca -0.26 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.39 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 0.05 0.00 0.12 0.77 -2.00 0.00 0.00 179.45 178.39 1j03 h SER 36 N 0.00 0.00 0.00 7.07 0.02 -1.90 4.88 113.55 123.62 1j03 h SER 36 Ca 0.15 0.00 -0.26 0.00 -0.84 0.00 0.00 61.79 60.84 1j03 h SER 36 Cb 1.17 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.66 1j03 h SER 36 CO -0.00 0.00 -1.91 0.49 -1.14 0.00 0.00 176.83 174.27 1j03 n PHE 37 N -2.67 0.00 -0.03 3.45 3.72 0.26 -4.28 117.46 117.91 1j03 n PHE 37 Ca -0.02 0.00 -0.18 0.00 -0.05 0.00 0.00 57.45 57.19 1j03 n PHE 37 Cb 0.16 -0.60 -0.14 0.00 -0.94 0.00 0.00 39.48 37.96 1j03 n PHE 37 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 1j03 n TYR 38 N -3.31 0.95 -0.80 1.38 4.01 -0.96 0.30 117.16 118.74 1j03 n TYR 38 Ca -0.30 0.22 -0.29 0.00 -0.16 0.00 0.00 57.90 57.37 1j03 n TYR 38 Cb 0.77 -1.13 0.09 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 1.97 -2.54 2.85 2.72 0.00 1.59 -4.43 105.19 107.36 1j03 n GLY 39 Ca -0.32 -0.40 -0.49 0.00 0.00 0.00 0.00 46.02 44.81 1j03 n GLY 39 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1j03 n SER 40 N 1.24 0.23 -3.21 1.61 2.88 -0.49 -2.68 113.62 113.20 1j03 n SER 40 Ca 0.00 0.94 -0.07 0.00 -1.33 0.00 0.00 58.87 58.41 1j03 n SER 40 Cb 0.57 -0.73 0.01 0.00 -0.75 0.00 0.00 64.21 63.31 1j03 n SER 40 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1j03 n GLY 41 N 1.70 -0.24 3.06 0.46 0.00 -1.26 -4.98 105.19 103.93 1j03 n GLY 41 Ca 0.18 0.24 -0.11 0.00 0.00 0.00 0.00 46.02 46.33 1j03 n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1j03 n GLY 42 N 0.99 1.87 0.35 -0.02 0.00 -1.09 -4.93 105.19 102.36 1j03 n GLY 42 Ca -0.01 -1.47 0.02 0.00 0.00 0.00 0.00 46.02 44.56 1j03 n GLY 42 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1j03 h ASP 43 N 1.73 -1.05 -2.22 1.61 1.82 0.44 0.13 116.42 118.87 1j03 h ASP 43 Ca -0.26 0.29 -0.77 0.00 -0.39 0.00 0.00 57.03 55.90 1j03 h ASP 43 Cb 1.06 0.63 -0.29 0.00 0.68 0.00 0.00 39.33 41.40 1j03 h ASP 43 CO 0.34 -0.30 0.78 -1.22 -1.61 0.00 0.00 179.24 177.23 1j03 n TYR 44 N -5.55 2.98 0.08 0.28 4.01 0.54 -4.68 117.16 114.82 1j03 n TYR 44 Ca 0.13 -2.75 -0.08 0.00 -0.16 0.00 0.00 57.90 55.03 1j03 n TYR 44 Cb 0.44 -1.08 0.02 0.00 -0.31 0.00 0.00 39.34 38.41 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 3.92 0.31 1.49 7.72 0.87 -0.87 -0.48 113.55 126.51 1j03 h SER 45 Ca 0.48 -0.23 -0.08 0.00 -1.23 0.00 0.00 61.79 60.74 1j03 h SER 45 Cb 0.33 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 62.19 1j03 h SER 45 CO 1.15 0.99 -0.52 0.00 -0.53 0.00 0.00 176.83 177.91 1j03 h MET 46 N 0.16 0.00 0.07 2.24 -0.00 -1.83 -3.29 114.93 112.28 1j03 h MET 46 Ca -0.04 0.00 -0.28 0.00 -0.00 0.00 0.00 59.70 59.38 1j03 h MET 46 Cb 1.39 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 32.97 1j03 h MET 46 CO 0.13 0.30 -1.47 0.74 -0.00 0.00 0.00 176.91 176.60 1j03 h PHE 47 N 0.00 0.26 -1.87 -0.10 0.04 -1.81 -3.42 116.94 110.04 1j03 h PHE 47 Ca -0.02 -0.19 -0.65 0.00 2.80 0.00 0.00 57.97 59.90 1j03 h PHE 47 Cb 1.27 -0.01 0.04 0.00 2.20 0.00 0.00 35.95 39.45 1j03 h PHE 47 CO 0.00 1.23 0.73 0.00 -0.60 0.00 0.00 178.31 179.67 1j03 n ALA 48 N -2.58 0.10 -2.97 2.45 0.00 -0.20 0.27 120.51 117.57 1j03 n ALA 48 Ca -0.13 0.44 -0.22 0.00 0.00 0.00 0.00 53.44 53.53 1j03 n ALA 48 Cb 1.02 -2.24 0.02 0.00 0.00 0.00 0.00 19.45 18.25 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 3.37 -0.51 3.52 0.00 0.00 -1.19 -4.49 105.19 105.90 1j03 n GLY 49 Ca 0.20 0.10 -0.16 0.00 0.00 0.00 0.00 46.02 46.16 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 -5.64 0.97 -0.42 1.61 1.02 0.14 -3.84 119.74 113.58 1j03 s LYS 50 Ca 0.26 0.16 -0.24 0.00 0.02 0.00 0.00 55.97 56.17 1j03 s LYS 50 Cb -0.12 0.45 0.02 0.00 -0.52 0.00 0.00 37.83 37.66 1j03 s LYS 50 CO 0.33 -0.32 0.85 0.34 -0.92 0.00 0.00 175.35 175.63 1j03 s ASP 51 N -1.33 6.51 -0.79 2.83 -1.08 -1.26 -3.48 116.67 118.06 1j03 s ASP 51 Ca -0.08 0.17 -0.00 0.00 -0.52 0.00 0.00 52.55 52.12 1j03 s ASP 51 Cb -0.00 -2.42 0.36 0.00 -1.46 0.00 0.00 42.92 39.39 1j03 s ASP 51 CO 0.06 -0.91 1.77 0.00 0.52 0.00 0.00 175.17 176.61 1j03 n ALA 52 N 6.81 6.09 -0.02 3.66 0.00 -1.13 0.12 120.51 136.03 1j03 n ALA 52 Ca 0.04 -4.28 -0.15 0.00 0.00 0.00 0.00 53.44 49.05 1j03 n ALA 52 Cb 0.48 -1.70 -0.11 0.00 0.00 0.00 0.00 19.45 18.12 1j03 n ALA 52 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1j03 h SER 53 N 3.14 0.28 -0.04 0.00 0.02 -1.76 -1.42 113.55 113.77 1j03 h SER 53 Ca 0.49 -0.76 -0.01 0.00 -0.84 0.00 0.00 61.79 60.68 1j03 h SER 53 Cb 0.26 -0.08 -0.00 0.00 0.14 0.00 0.00 62.40 62.71 1j03 h SER 53 CO 1.25 1.00 -0.01 0.03 -1.14 0.00 0.00 176.83 177.96 1j03 h ARG 54 N -0.41 0.07 -0.48 3.45 3.08 -1.81 0.10 114.38 118.38 1j03 h ARG 54 Ca -0.03 -0.03 0.02 0.00 0.07 0.00 0.00 59.98 60.01 1j03 h ARG 54 Cb 1.03 -0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.06 1j03 h ARG 54 CO 0.06 0.42 0.32 0.00 -1.07 0.00 0.00 179.97 179.70 1j03 h ALA 55 N 0.65 1.72 -0.28 0.04 0.00 -1.72 -0.94 119.26 118.73 1j03 h ALA 55 Ca 0.01 -0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.73 1j03 h ALA 55 Cb 0.40 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 1j03 h ALA 55 CO 0.00 0.24 -0.46 -0.07 0.00 0.00 0.00 179.25 178.96 1j03 h LEU 56 N 0.59 0.89 0.00 0.00 3.38 -1.03 0.35 115.31 119.48 1j03 h LEU 56 Ca 0.19 -0.52 0.00 0.00 0.09 0.00 0.00 57.88 57.63 1j03 h LEU 56 Cb 0.02 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.52 1j03 h LEU 56 CO -0.04 1.24 0.00 0.61 0.09 0.00 0.00 178.44 180.34 1j03 n GLY 57 N 0.33 -2.88 0.33 0.83 0.00 0.34 -2.86 105.19 101.29 1j03 n GLY 57 Ca -0.04 0.04 0.22 0.00 0.00 0.00 0.00 46.02 46.23 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 -4.15 1.61 6.56 -1.46 -3.41 116.57 115.72 1j03 h LYS 58 Ca 0.00 0.00 -0.17 0.00 -1.06 0.00 0.00 60.65 59.42 1j03 h LYS 58 Cb 0.00 0.00 0.10 0.00 -0.57 0.00 0.00 32.23 31.76 1j03 h LYS 58 CO 0.00 0.00 -0.45 -1.33 -2.06 0.00 0.00 179.45 175.61 1j03 n MET 59 N -3.17 -2.91 -0.00 3.15 2.81 0.92 -4.96 117.12 112.95 1j03 n MET 59 Ca -0.03 0.48 0.04 0.00 -1.81 0.00 0.00 57.70 56.38 1j03 n MET 59 Cb 0.07 -4.24 -0.06 0.00 -0.71 0.00 0.00 33.22 28.28 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 -2.28 2.66 -1.78 7.83 2.88 0.50 -4.97 113.62 118.46 1j03 n SER 60 Ca -0.12 -0.11 -0.12 0.00 -1.33 0.00 0.00 58.87 57.19 1j03 n SER 60 Cb 0.59 1.33 -0.03 0.00 -0.75 0.00 0.00 64.21 65.34 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 -1.70 -1.65 -2.38 -1.46 2.85 -1.11 -4.86 118.16 107.84 1j03 n LYS 61 Ca -0.01 0.65 -0.42 0.00 -1.05 0.00 0.00 58.31 57.48 1j03 n LYS 61 Cb 0.21 -5.02 -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 1.21 -0.05 0.00 0.00 177.40 178.56 1j03 s ASN 62 N -2.01 7.06 0.42 -5.58 3.04 -1.26 -4.87 114.94 111.74 1j03 s ASN 62 Ca 0.00 2.12 0.29 0.00 0.04 0.00 0.00 52.86 55.31 1j03 s ASN 62 Cb 0.00 -2.59 1.53 0.00 -1.54 0.00 0.00 41.25 38.65 1j03 s ASN 62 CO 0.00 -0.45 1.88 -0.08 -3.04 0.00 0.00 177.10 175.41 1j03 h GLU 63 N 6.25 0.00 0.00 0.43 4.81 -1.92 0.22 114.58 124.37 1j03 h GLU 63 Ca -0.43 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 58.74 1j03 h GLU 63 Cb 1.21 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.58 1j03 h GLU 63 CO 0.79 0.00 -1.11 0.93 -0.73 0.00 0.00 179.01 178.89 1j03 h GLU 64 N 0.00 0.00 0.03 1.92 4.39 -1.98 -3.33 114.58 115.61 1j03 h GLU 64 Ca 0.00 0.00 -0.25 0.00 0.34 0.00 0.00 59.36 59.45 1j03 h GLU 64 Cb 0.05 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.71 1j03 h GLU 64 CO 0.00 0.11 -1.04 -0.44 -1.16 0.00 0.00 179.01 176.48 1j03 h ASP 65 N 0.00 0.64 -1.00 1.42 5.19 -0.96 -3.45 116.42 118.26 1j03 h ASP 65 Ca -0.06 -0.54 -0.84 0.00 -0.62 0.00 0.00 57.03 54.97 1j03 h ASP 65 Cb 1.21 -0.20 0.03 0.00 0.18 0.00 0.00 39.33 40.55 1j03 h ASP 65 CO 0.02 1.35 0.42 0.52 -3.12 0.00 0.00 179.24 178.43 1j03 n VAL 66 N -3.75 0.00 -3.67 -1.35 0.31 -0.91 -4.14 118.33 104.82 1j03 n VAL 66 Ca -0.09 0.00 -0.14 0.00 -0.01 0.00 0.00 64.34 64.10 1j03 n VAL 66 Cb 0.89 -0.29 -0.14 0.00 -0.91 0.00 0.00 33.84 33.40 1j03 n VAL 66 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 1j03 s SER 67 N 1.72 0.36 0.00 4.52 1.04 0.31 -4.93 113.70 116.71 1j03 s SER 67 Ca 0.99 0.54 0.03 0.00 0.48 0.00 0.00 55.95 57.99 1j03 s SER 67 Cb -1.40 0.60 0.16 0.00 0.10 0.00 0.00 66.02 65.47 1j03 s SER 67 CO 0.71 -0.23 0.87 -0.81 0.98 0.00 0.00 173.24 174.75 1j03 n PRO 68 N 5.23 0.75 -3.71 4.02 -0.04 -1.26 -4.10 135.00 135.89 1j03 n PRO 68 Ca -0.08 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.25 1j03 n PRO 68 Cb 0.50 -1.05 -0.09 0.00 -0.04 0.00 0.00 33.50 32.81 1j03 n PRO 68 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1j03 s SER 69 N -1.33 -0.48 -0.26 3.54 0.15 -1.26 -4.09 113.70 109.97 1j03 s SER 69 Ca 0.04 0.88 -0.01 0.00 0.70 0.00 0.00 55.95 57.56 1j03 s SER 69 Cb 0.02 0.90 0.13 0.00 -1.71 0.00 0.00 66.02 65.36 1j03 s SER 69 CO 0.03 -0.20 2.20 0.00 1.20 0.00 0.00 173.24 176.47 1j03 n LEU 70 N 2.66 6.20 -2.12 3.45 -0.00 -1.26 -4.63 117.00 121.29 1j03 n LEU 70 Ca -0.14 -3.23 -0.16 0.00 -0.00 0.00 0.00 56.01 52.48 1j03 n LEU 70 Cb 0.57 -1.11 -0.13 0.00 -0.00 0.00 0.00 43.42 42.74 1j03 n LEU 70 CO 0.12 1.28 1.59 -0.62 -0.00 0.00 0.00 177.39 179.76 1j03 n GLU 71 N 0.75 2.08 0.00 1.47 1.02 -1.26 -3.48 120.64 121.22 1j03 n GLU 71 Ca 0.27 -1.36 0.00 0.00 -0.02 0.00 0.00 57.16 56.06 1j03 n GLU 71 Cb 0.58 -2.01 0.00 0.00 -0.02 0.00 0.00 31.44 29.99 1j03 n GLU 71 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1j03 n GLY 72 N 1.99 0.20 3.61 0.62 0.00 -1.26 -5.11 105.19 105.23 1j03 n GLY 72 Ca 0.43 0.00 -0.63 0.00 0.00 0.00 0.00 46.02 45.82 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 1.35 0.00 0.99 4.32 -1.23 -4.90 117.00 117.54 1j03 n LEU 73 Ca 0.00 1.01 -0.20 0.00 -0.02 0.00 0.00 56.01 56.79 1j03 n LEU 73 Cb 0.00 -0.95 0.14 0.00 -1.62 0.00 0.00 43.42 40.99 1j03 n LEU 73 CO 0.00 -0.74 0.59 0.35 -1.22 0.00 0.00 177.39 176.37 1j03 n THR 74 N 4.88 0.00 -0.13 -5.08 -2.24 -1.26 -4.70 114.28 105.75 1j03 n THR 74 Ca 0.37 -0.65 -0.13 0.00 -2.27 0.00 0.00 64.05 61.37 1j03 n THR 74 Cb -0.01 -1.62 -0.02 0.00 -2.10 0.00 0.00 70.33 66.58 1j03 n THR 74 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1j03 h GLU 75 N 0.00 0.93 -0.48 -0.78 5.08 -1.96 1.02 114.58 118.39 1j03 h GLU 75 Ca -0.30 -0.47 0.09 0.00 -1.00 0.00 0.00 59.36 57.68 1j03 h GLU 75 Cb 0.82 0.01 -0.07 0.00 0.50 0.00 0.00 28.75 30.01 1j03 h GLU 75 CO 0.21 1.13 0.05 -0.22 -1.00 0.00 0.00 179.01 179.18 1j03 h LYS 76 N 0.75 0.17 0.20 2.33 3.64 -1.97 0.81 116.57 122.50 1j03 h LYS 76 Ca 0.07 -0.01 -0.26 0.00 -1.27 0.00 0.00 60.65 59.18 1j03 h LYS 76 Cb 0.93 -0.04 0.03 0.00 -0.41 0.00 0.00 32.23 32.74 1j03 h LYS 76 CO 0.09 0.11 -1.15 1.05 -2.27 0.00 0.00 179.45 177.28 1j03 h GLU 77 N 0.18 0.42 -0.47 1.90 4.11 -1.78 -3.17 114.58 115.76 1j03 h GLU 77 Ca 0.24 -0.72 0.09 0.00 0.07 0.00 0.00 59.36 59.04 1j03 h GLU 77 Cb 0.34 0.27 -0.08 0.00 0.50 0.00 0.00 28.75 29.78 1j03 h GLU 77 CO -0.35 1.34 0.01 0.82 0.07 0.00 0.00 179.01 180.91 1j03 h ILE 78 N -0.12 0.65 -0.49 -1.06 1.08 0.16 9.48 117.51 127.20 1j03 h ILE 78 Ca -0.20 -0.04 0.07 0.00 -0.39 0.00 0.00 64.86 64.30 1j03 h ILE 78 Cb 1.91 0.51 -0.06 0.00 -3.07 0.00 0.00 36.82 36.10 1j03 h ILE 78 CO 0.21 0.02 0.14 0.78 -0.69 0.00 0.00 178.15 178.62 1j03 h ASN 79 N 0.13 0.10 0.04 1.72 2.35 0.54 2.53 115.58 123.00 1j03 h ASN 79 Ca 0.24 0.07 -0.06 0.00 -0.55 0.00 0.00 56.30 56.00 1j03 h ASN 79 Cb 0.35 0.08 0.01 0.00 0.05 0.00 0.00 38.32 38.80 1j03 h ASN 79 CO -0.38 0.08 -0.26 0.74 -1.65 0.00 0.00 177.43 175.97 1j03 h THR 80 N 0.30 1.71 0.72 2.81 2.02 -1.00 -2.59 112.91 116.88 1j03 h THR 80 Ca 0.24 -2.41 -0.03 0.00 0.77 0.00 0.00 66.41 64.98 1j03 h THR 80 Cb 0.29 3.34 -0.00 0.00 -1.74 0.00 0.00 68.15 70.03 1j03 h THR 80 CO -0.28 0.64 -0.41 0.25 0.37 0.00 0.00 175.52 176.10 1j03 h LEU 81 N -0.80 -1.01 -1.02 2.58 7.12 2.07 2.75 115.31 127.00 1j03 h LEU 81 Ca -0.04 0.05 0.18 0.00 0.13 0.00 0.00 57.88 58.19 1j03 h LEU 81 Cb 1.20 0.29 -0.10 0.00 -0.53 0.00 0.00 40.66 41.52 1j03 h LEU 81 CO 0.05 -0.65 0.62 -1.13 -0.13 0.00 0.00 178.44 177.19 1j03 h ASN 82 N -1.05 0.80 0.31 1.25 -0.73 0.43 0.42 115.58 117.01 1j03 h ASN 82 Ca -0.09 0.09 -0.20 0.00 1.87 0.00 0.00 56.30 57.97 1j03 h ASN 82 Cb 0.83 -0.06 -0.00 0.00 0.27 0.00 0.00 38.32 39.36 1j03 h ASN 82 CO 0.12 0.31 -0.81 -0.78 -0.37 0.00 0.00 177.43 175.90 1j03 h ASP 83 N 0.80 0.48 -0.32 1.15 3.58 -0.98 -2.88 116.42 118.25 1j03 h ASP 83 Ca 0.56 -0.34 0.02 0.00 0.42 0.00 0.00 57.03 57.70 1j03 h ASP 83 Cb 0.84 -0.14 -0.02 0.00 1.72 0.00 0.00 39.33 41.73 1j03 h ASP 83 CO -0.36 1.10 0.21 -0.50 -2.88 0.00 0.00 179.24 176.82 1j03 h TRP 84 N 0.25 0.32 0.06 0.28 -0.00 0.90 -0.89 115.95 116.87 1j03 h TRP 84 Ca -0.05 0.01 -0.00 0.00 -0.00 0.00 0.00 58.89 58.85 1j03 h TRP 84 Cb 1.41 -0.11 0.00 0.00 -0.00 0.00 0.00 29.16 30.46 1j03 h TRP 84 CO 0.05 0.19 -0.03 1.49 -0.00 0.00 0.00 178.44 180.14 1j03 h GLU 85 N 0.34 -0.08 -0.33 0.49 4.81 -0.63 0.50 114.58 119.69 1j03 h GLU 85 Ca 0.13 0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.36 1j03 h GLU 85 Cb 0.09 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.47 1j03 h GLU 85 CO -0.03 0.08 0.19 1.15 -0.73 0.00 0.00 179.01 179.67 1j03 h THR 86 N -0.22 1.10 -0.12 0.32 2.02 -1.29 3.45 112.91 118.17 1j03 h THR 86 Ca -0.01 -0.25 -0.21 0.00 0.77 0.00 0.00 66.41 66.71 1j03 h THR 86 Cb 0.19 0.65 0.01 0.00 -1.74 0.00 0.00 68.15 67.26 1j03 h THR 86 CO 0.01 0.11 -0.75 0.11 0.37 0.00 0.00 175.52 175.38 1j03 h LYS 87 N 0.45 0.72 0.14 6.66 1.57 -0.78 0.15 116.57 125.48 1j03 h LYS 87 Ca 0.12 -0.61 -0.23 0.00 -1.87 0.00 0.00 60.65 58.05 1j03 h LYS 87 Cb 0.00 0.14 0.03 0.00 0.08 0.00 0.00 32.23 32.48 1j03 h LYS 87 CO -0.02 1.22 -1.00 0.74 -0.57 0.00 0.00 179.45 179.82 1j03 h PHE 88 N 0.42 0.73 -0.20 -1.35 -1.00 0.90 -3.20 116.94 113.24 1j03 h PHE 88 Ca -0.06 -0.50 -0.11 0.00 2.81 0.00 0.00 57.97 60.11 1j03 h PHE 88 Cb 1.39 -0.04 -0.01 0.00 3.61 0.00 0.00 35.95 40.89 1j03 h PHE 88 CO 0.10 1.37 -0.35 1.49 -1.61 0.00 0.00 178.31 179.31 1j03 h GLU 89 N -0.12 0.42 -0.98 1.51 4.22 0.63 2.34 114.58 122.60 1j03 h GLU 89 Ca -0.17 -0.19 -0.22 0.00 0.08 0.00 0.00 59.36 58.87 1j03 h GLU 89 Cb 1.76 -0.01 -0.13 0.00 0.50 0.00 0.00 28.75 30.87 1j03 h GLU 89 CO 0.19 0.72 0.28 0.00 -2.18 0.00 0.00 179.01 178.02 1j03 n ALA 90 N -2.49 3.88 0.17 2.92 0.00 0.51 -4.20 120.51 121.30 1j03 n ALA 90 Ca -0.01 -1.31 0.00 0.00 0.00 0.00 0.00 53.44 52.12 1j03 n ALA 90 Cb 0.46 -1.20 0.00 0.00 0.00 0.00 0.00 19.45 18.72 1j03 n ALA 90 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1j03 n LYS 91 N -0.22 0.00 -3.07 0.00 5.02 -0.88 -4.93 118.16 114.08 1j03 n LYS 91 Ca 0.27 0.00 -0.39 0.00 -2.02 0.00 0.00 58.31 56.16 1j03 n LYS 91 Cb 1.02 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 35.97 1j03 n LYS 91 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 1j03 s TYR 92 N -2.00 3.84 0.20 2.13 2.02 0.78 -5.04 117.35 119.28 1j03 s TYR 92 Ca 0.00 1.48 -0.30 0.00 -0.37 0.00 0.00 57.07 57.89 1j03 s TYR 92 Cb 0.00 -2.70 -0.08 0.00 -0.40 0.00 0.00 41.96 38.78 1j03 s TYR 92 CO 0.00 0.48 1.11 -1.25 -1.57 0.00 0.00 175.55 174.31 1j03 s PRO 93 N -0.86 4.60 -0.44 -1.71 0.04 -1.23 -4.44 135.00 130.95 1j03 s PRO 93 Ca 0.34 1.75 -0.23 0.00 0.04 0.00 0.00 61.00 62.91 1j03 s PRO 93 Cb -0.21 -3.25 0.02 0.00 0.04 0.00 0.00 34.50 31.10 1j03 s PRO 93 CO 0.23 0.10 0.76 0.08 0.04 0.00 0.00 177.00 178.20 1j03 s VAL 94 N -0.46 4.69 -1.13 -0.36 1.01 -1.26 0.21 120.40 123.11 1j03 s VAL 94 Ca 0.48 0.41 0.25 0.00 0.00 0.00 0.00 61.98 63.12 1j03 s VAL 94 Cb -0.30 -4.29 0.04 0.00 0.00 0.00 0.00 36.38 31.83 1j03 s VAL 94 CO 0.37 -0.67 1.41 1.33 0.00 0.00 0.00 175.10 177.54 1j03 n VAL 95 N 6.05 0.00 -0.86 2.92 0.24 -1.22 -5.01 118.33 120.46 1j03 n VAL 95 Ca 0.02 -0.02 0.00 0.00 -2.04 0.00 0.00 64.34 62.29 1j03 n VAL 95 Cb 0.48 0.32 0.00 0.00 -1.47 0.00 0.00 33.84 33.17 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 1.47 -2.01 3.14 7.63 0.00 -1.25 -4.28 105.19 109.90 1j03 n GLY 96 Ca 0.07 -1.17 -0.27 0.00 0.00 0.00 0.00 46.02 44.64 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 -1.82 2.04 -0.01 1.61 1.04 -1.26 -0.93 118.95 119.62 1j03 s ARG 97 Ca 0.00 -0.65 -0.34 0.00 -1.04 0.00 0.00 55.73 53.70 1j03 s ARG 97 Cb 0.00 -1.71 -0.12 0.00 -2.04 0.00 0.00 34.95 31.08 1j03 s ARG 97 CO 0.00 0.21 1.81 0.28 -0.04 0.00 0.00 175.30 177.57 1j03 n VAL 98 N 3.29 0.44 -0.09 4.99 0.31 0.52 -2.62 118.33 125.17 1j03 n VAL 98 Ca -0.19 -0.08 -0.19 0.00 -0.01 0.00 0.00 64.34 63.87 1j03 n VAL 98 Cb 0.53 -1.83 -0.06 0.00 -0.91 0.00 0.00 33.84 31.56 1j03 n VAL 98 CO 0.00 0.00 0.00 1.33 -1.32 0.00 0.00 176.83 176.84 1j03 n VAL 99 N 4.74 1.21 -0.57 2.52 0.24 -1.08 -4.70 118.33 120.69 1j03 n VAL 99 Ca 0.21 -0.19 0.00 0.00 -2.04 0.00 0.00 64.34 62.32 1j03 n VAL 99 Cb 0.30 -1.87 0.00 0.00 -1.47 0.00 0.00 33.84 30.81 1j03 n VAL 99 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45