#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 0.74 -0.76 1.61 -0.04 -1.26 -4.90 135.00 130.40 1j03 n PRO 0 Ca 0.00 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.31 1j03 n PRO 0 Cb 0.00 0.00 0.07 0.00 -0.04 0.00 0.00 33.50 33.53 1j03 n PRO 0 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 1j03 n MET 1 N -0.21 1.73 0.00 0.54 2.81 -1.25 -4.95 117.12 115.78 1j03 n MET 1 Ca 0.00 -1.58 0.00 0.00 -1.81 0.00 0.00 57.70 54.31 1j03 n MET 1 Cb 0.00 -1.62 0.00 0.00 -0.71 0.00 0.00 33.22 30.89 1j03 n MET 1 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 1j03 n GLU 2 N -0.05 0.00 -4.35 0.03 1.02 -1.26 -4.67 120.64 111.35 1j03 n GLU 2 Ca 0.31 0.00 -0.34 0.00 -0.02 0.00 0.00 57.16 57.11 1j03 n GLU 2 Cb 0.86 0.00 -0.12 0.00 -0.02 0.00 0.00 31.44 32.16 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 0.00 3.06 0.43 -0.32 0.40 -1.16 -4.87 117.98 115.52 1j03 s PHE 3 Ca 0.00 -0.21 -0.17 0.00 -0.60 0.00 0.00 56.93 55.95 1j03 s PHE 3 Cb 0.00 -1.96 -0.09 0.00 0.51 0.00 0.00 43.02 41.48 1j03 s PHE 3 CO 0.00 0.03 0.90 0.95 0.70 0.00 0.00 175.22 177.80 1j03 s THR 4 N 0.25 4.54 0.55 0.64 -4.23 -1.26 -2.74 115.64 113.39 1j03 s THR 4 Ca -0.02 1.20 0.30 0.00 -1.18 0.00 0.00 61.69 61.99 1j03 s THR 4 Cb -0.14 -3.66 0.44 0.00 1.34 0.00 0.00 72.50 70.48 1j03 s THR 4 CO 0.02 -0.44 1.91 0.00 -0.54 0.00 0.00 174.62 175.58 1j03 h ALA 5 N 1.58 2.59 -0.08 3.99 0.00 -1.92 1.53 119.26 126.93 1j03 h ALA 5 Ca -0.48 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.35 1j03 h ALA 5 Cb 1.18 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1j03 h ALA 5 CO 0.62 -0.91 -0.16 0.93 0.00 0.00 0.00 179.25 179.74 1j03 h GLU 6 N 0.00 0.26 -0.09 0.00 5.08 -1.94 -1.06 114.58 116.82 1j03 h GLU 6 Ca 0.33 -0.16 -0.20 0.00 -1.00 0.00 0.00 59.36 58.33 1j03 h GLU 6 Cb 1.42 0.02 0.01 0.00 0.50 0.00 0.00 28.75 30.70 1j03 h GLU 6 CO -0.00 0.75 -0.73 1.96 -1.00 0.00 0.00 179.01 179.98 1j03 h GLN 7 N -0.21 0.66 -0.69 2.33 7.50 -1.00 -3.20 115.11 120.50 1j03 h GLN 7 Ca 0.00 -0.59 0.03 0.00 0.50 0.00 0.00 58.65 58.60 1j03 h GLN 7 Cb 0.73 0.14 -0.04 0.00 0.05 0.00 0.00 27.48 28.35 1j03 h GLN 7 CO 0.04 1.20 0.43 1.25 -1.50 0.00 0.00 178.83 180.24 1j03 h LEU 8 N 0.33 0.69 -0.87 1.46 7.12 0.19 0.24 115.31 124.47 1j03 h LEU 8 Ca -0.06 0.00 0.00 0.00 0.13 0.00 0.00 57.88 57.95 1j03 h LEU 8 Cb 1.38 -0.14 0.00 0.00 -0.53 0.00 0.00 40.66 41.36 1j03 h LEU 8 CO 0.15 0.48 0.06 -0.24 -0.13 0.00 0.00 178.44 178.75 1j03 n SER 9 N -4.68 0.34 0.08 1.25 2.88 -0.40 0.52 113.62 113.61 1j03 n SER 9 Ca 0.08 0.63 0.13 0.00 -1.33 0.00 0.00 58.87 58.37 1j03 n SER 9 Cb 0.10 -0.66 0.46 0.00 -0.75 0.00 0.00 64.21 63.36 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 -1.96 0.18 -3.28 -1.46 1.13 0.84 -3.94 117.38 108.90 1j03 n GLN 10 Ca -0.01 0.21 -0.25 0.00 -1.94 0.00 0.00 57.00 55.01 1j03 n GLN 10 Cb 0.08 -1.74 -0.07 0.00 0.11 0.00 0.00 30.24 28.62 1j03 n GLN 10 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 1j03 n TYR 11 N -2.06 1.93 -1.16 1.08 4.02 0.19 -4.82 117.16 116.34 1j03 n TYR 11 Ca 0.05 -3.90 0.09 0.00 -0.01 0.00 0.00 57.90 54.14 1j03 n TYR 11 Cb 0.36 -0.46 0.16 0.00 -0.02 0.00 0.00 39.34 39.37 1j03 n TYR 11 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 176.86 176.12 1j03 n ASN 12 N 0.93 2.28 -1.46 7.72 0.23 -1.25 -1.86 115.26 121.85 1j03 n ASN 12 Ca 0.26 -3.23 0.00 0.00 -0.53 0.00 0.00 54.58 51.08 1j03 n ASN 12 Cb 0.47 -0.45 0.00 0.00 -2.08 0.00 0.00 39.78 37.72 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 -1.36 -2.04 0.95 4.83 0.00 -1.26 -4.61 105.19 101.69 1j03 n GLY 13 Ca 0.17 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1j03 n GLY 13 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1j03 n THR 14 N -0.16 0.00 -1.82 2.61 -2.24 -1.26 -4.41 114.28 107.00 1j03 n THR 14 Ca 0.00 0.00 -0.17 0.00 -2.27 0.00 0.00 64.05 61.61 1j03 n THR 14 Cb 0.00 -0.01 0.11 0.00 -2.10 0.00 0.00 70.33 68.34 1j03 n THR 14 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1j03 n ASP 15 N -1.98 0.28 0.00 3.42 8.00 -1.26 -5.08 116.55 119.93 1j03 n ASP 15 Ca 0.00 -1.41 0.00 0.00 0.71 0.00 0.00 54.79 54.09 1j03 n ASP 15 Cb 0.00 -0.56 0.00 0.00 -0.02 0.00 0.00 41.12 40.54 1j03 n ASP 15 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1j03 n GLU 16 N -2.57 0.00 -0.04 -1.24 -0.58 -1.26 -4.70 120.64 110.25 1j03 n GLU 16 Ca 0.10 0.00 -0.09 0.00 -0.42 0.00 0.00 57.16 56.76 1j03 n GLU 16 Cb 0.36 -0.14 -0.02 0.00 -0.57 0.00 0.00 31.44 31.06 1j03 n GLU 16 CO 0.00 0.00 0.00 0.77 -0.48 0.00 0.00 177.13 177.42 1j03 h SER 17 N 0.00 -0.04 -1.10 1.62 0.02 -2.04 -3.42 113.55 108.60 1j03 h SER 17 Ca 0.00 0.04 -0.84 0.00 -0.84 0.00 0.00 61.79 60.15 1j03 h SER 17 Cb 0.00 0.06 0.02 0.00 0.14 0.00 0.00 62.40 62.62 1j03 h SER 17 CO 0.00 0.01 0.64 0.29 -1.14 0.00 0.00 176.83 176.62 1j03 n LYS 18 N -5.11 0.20 0.00 3.45 4.01 -1.26 -4.91 118.16 114.53 1j03 n LYS 18 Ca -0.02 0.07 0.00 0.00 -0.51 0.00 0.00 58.31 57.85 1j03 n LYS 18 Cb 0.10 -1.60 0.00 0.00 -0.51 0.00 0.00 35.03 33.02 1j03 n LYS 18 CO 0.00 0.00 0.00 -0.35 -1.11 0.00 0.00 177.40 175.94 1j03 n PRO 19 N 3.85 -0.40 -4.93 1.97 -0.04 -1.26 -4.71 135.00 129.47 1j03 n PRO 19 Ca 0.29 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.46 1j03 n PRO 19 Cb -0.01 0.00 -0.17 0.00 -0.04 0.00 0.00 33.50 33.28 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 -0.94 1.66 -0.02 0.52 1.09 -1.26 -4.50 121.20 117.75 1j03 s ILE 20 Ca 0.00 -0.79 0.05 0.00 -1.10 0.00 0.00 60.65 58.81 1j03 s ILE 20 Cb 0.00 -1.46 -0.01 0.00 -1.06 0.00 0.00 42.46 39.93 1j03 s ILE 20 CO 0.00 0.47 -0.16 -0.31 -0.10 0.00 0.00 174.94 174.84 1j03 s TYR 21 N 0.50 1.49 0.08 3.97 2.02 -0.78 -2.79 117.35 121.84 1j03 s TYR 21 Ca -0.17 -0.32 0.09 0.00 -0.37 0.00 0.00 57.07 56.31 1j03 s TYR 21 Cb -0.17 -0.97 -0.04 0.00 -0.40 0.00 0.00 41.96 40.38 1j03 s TYR 21 CO 0.06 -0.06 -0.23 0.08 -1.57 0.00 0.00 175.55 173.84 1j03 s VAL 22 N -0.26 2.49 -0.10 0.71 1.01 0.25 -2.50 120.40 121.99 1j03 s VAL 22 Ca 0.04 -1.48 -0.02 0.00 0.00 0.00 0.00 61.98 60.52 1j03 s VAL 22 Cb -0.07 -2.07 -0.03 0.00 0.00 0.00 0.00 36.38 34.21 1j03 s VAL 22 CO -0.00 0.22 -0.01 0.00 0.00 0.00 0.00 175.10 175.31 1j03 s ALA 23 N -0.98 3.19 -0.21 5.51 0.00 -1.25 0.27 121.76 128.29 1j03 s ALA 23 Ca 0.14 -0.82 -0.04 0.00 0.00 0.00 0.00 51.96 51.25 1j03 s ALA 23 Cb -0.10 -1.48 0.11 0.00 0.00 0.00 0.00 23.12 21.64 1j03 s ALA 23 CO 0.06 0.49 0.28 0.42 0.00 0.00 0.00 175.76 177.02 1j03 s ILE 24 N -0.57 -0.44 -0.42 0.00 1.01 0.19 -2.57 121.20 118.39 1j03 s ILE 24 Ca 0.09 -0.07 0.00 0.00 0.00 0.00 0.00 60.65 60.67 1j03 s ILE 24 Cb -0.12 -0.72 0.00 0.00 0.01 0.00 0.00 42.46 41.64 1j03 s ILE 24 CO 0.02 -0.15 0.00 0.29 0.00 0.00 0.00 174.94 175.10 1j03 n LYS 25 N 5.34 -1.12 -0.03 2.79 5.02 -1.26 -1.29 118.16 127.61 1j03 n LYS 25 Ca -0.05 0.50 0.00 0.00 -2.02 0.00 0.00 58.31 56.75 1j03 n LYS 25 Cb 0.50 -4.46 0.00 0.00 -0.02 0.00 0.00 35.03 31.05 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 -0.82 0.98 3.37 0.72 0.00 -1.26 -4.98 105.19 103.21 1j03 n GLY 26 Ca -0.04 -0.02 -0.33 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.47 3.27 -0.13 1.61 3.52 -0.41 0.23 118.95 126.56 1j03 s ARG 27 Ca 0.00 -0.70 -0.22 0.00 -0.13 0.00 0.00 55.73 54.68 1j03 s ARG 27 Cb 0.00 -2.58 -0.03 0.00 -1.56 0.00 0.00 34.95 30.78 1j03 s ARG 27 CO 0.00 0.25 0.64 0.08 -0.81 0.00 0.00 175.30 175.47 1j03 s VAL 28 N 0.24 5.05 0.15 7.11 1.01 0.71 0.53 120.40 135.20 1j03 s VAL 28 Ca -0.09 1.27 0.10 0.00 0.00 0.00 0.00 61.98 63.26 1j03 s VAL 28 Cb -0.16 -3.97 -0.04 0.00 0.00 0.00 0.00 36.38 32.21 1j03 s VAL 28 CO 0.05 0.19 -0.24 -0.36 0.00 0.00 0.00 175.10 174.75 1j03 s PHE 29 N 1.30 2.16 -0.21 5.22 0.08 0.75 -3.37 117.98 123.90 1j03 s PHE 29 Ca 0.32 -0.39 -0.13 0.00 0.12 0.00 0.00 56.93 56.85 1j03 s PHE 29 Cb -0.16 -1.13 -0.05 0.00 -0.57 0.00 0.00 43.02 41.11 1j03 s PHE 29 CO 0.13 0.37 0.27 0.34 -0.10 0.00 0.00 175.22 176.22 1j03 s ASP 30 N -2.29 6.29 0.00 1.36 -1.08 0.23 0.84 116.67 122.01 1j03 s ASP 30 Ca 0.15 0.33 0.00 0.00 -0.52 0.00 0.00 52.55 52.50 1j03 s ASP 30 Cb -0.09 -2.16 0.00 0.00 -1.46 0.00 0.00 42.92 39.21 1j03 s ASP 30 CO 0.07 0.02 0.57 1.33 0.52 0.00 0.00 175.17 177.69 1j03 n VAL 31 N 4.16 0.33 0.15 1.11 0.24 -1.12 -3.55 118.33 119.65 1j03 n VAL 31 Ca -0.12 -0.45 0.18 0.00 -2.04 0.00 0.00 64.34 61.92 1j03 n VAL 31 Cb 0.52 1.02 0.70 0.00 -1.47 0.00 0.00 33.84 34.60 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 0.94 0.20 0.00 3.34 1.03 -1.91 0.28 112.91 116.80 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 0.55 0.00 0.00 -1.07 0.00 0.00 68.15 68.14 1j03 h THR 32 CO 0.00 0.00 0.10 0.35 -0.01 0.00 0.00 175.52 175.96 1j03 n THR 33 N -3.35 1.45 -2.69 0.00 -2.24 -1.26 -1.78 114.28 104.41 1j03 n THR 33 Ca 0.06 0.47 -0.06 0.00 -2.27 0.00 0.00 64.05 62.24 1j03 n THR 33 Cb 0.66 -1.47 0.10 0.00 -2.10 0.00 0.00 70.33 67.52 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 -1.36 1.49 0.42 3.38 0.00 0.99 -4.94 105.19 105.18 1j03 n GLY 34 Ca 0.00 -0.44 0.22 0.00 0.00 0.00 0.00 46.02 45.80 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 2.12 0.00 0.00 1.61 2.10 -1.38 1.12 116.57 122.14 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 0.10 1.03 -2.00 0.00 0.00 179.45 178.64 1j03 h SER 36 N 0.00 0.00 0.00 7.07 0.87 -1.91 5.13 113.55 124.72 1j03 h SER 36 Ca 0.26 0.00 -0.22 0.00 -1.23 0.00 0.00 61.79 60.60 1j03 h SER 36 Cb 1.56 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 63.49 1j03 h SER 36 CO -0.00 0.00 -1.82 0.49 -0.53 0.00 0.00 176.83 174.97 1j03 n PHE 37 N -2.62 0.00 -0.08 2.24 3.72 0.38 -3.83 117.46 117.27 1j03 n PHE 37 Ca -0.02 0.00 -0.17 0.00 -0.05 0.00 0.00 57.45 57.21 1j03 n PHE 37 Cb 0.15 -0.55 -0.13 0.00 -0.94 0.00 0.00 39.48 38.01 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 -3.06 0.43 0.00 1.38 4.01 -0.93 0.36 117.16 119.35 1j03 n TYR 38 Ca -0.26 0.10 0.00 0.00 -0.16 0.00 0.00 57.90 57.58 1j03 n TYR 38 Cb 0.76 -1.06 0.00 0.00 -0.31 0.00 0.00 39.34 38.73 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 2.05 -1.92 0.00 2.72 0.00 1.67 -4.32 105.19 105.40 1j03 n GLY 39 Ca -0.38 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.53 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 0.00 0.00 -3.29 1.61 2.88 -1.16 -4.47 113.62 109.19 1j03 n SER 40 Ca 0.00 0.00 -0.25 0.00 -1.33 0.00 0.00 58.87 57.29 1j03 n SER 40 Cb 0.00 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.42 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 0.00 2.14 0.00 0.46 0.00 -1.26 -4.53 105.19 102.00 1j03 n GLY 41 Ca 0.00 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.28 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 4.23 1.33 0.10 -0.02 0.00 -1.21 -4.96 105.19 104.66 1j03 n GLY 42 Ca 0.34 -1.49 -0.11 0.00 0.00 0.00 0.00 46.02 44.75 1j03 n GLY 42 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1j03 n ASP 43 N 0.00 0.80 -2.64 1.61 9.92 1.11 -4.35 116.55 123.00 1j03 n ASP 43 Ca 0.00 0.18 -0.33 0.00 -0.53 0.00 0.00 54.79 54.11 1j03 n ASP 43 Cb 0.00 0.21 0.02 0.00 -0.64 0.00 0.00 41.12 40.71 1j03 n ASP 43 CO 0.00 0.00 0.00 -1.22 0.13 0.00 0.00 177.20 176.11 1j03 n TYR 44 N -3.00 3.20 0.13 1.24 4.01 0.49 -4.71 117.16 118.51 1j03 n TYR 44 Ca -0.28 -2.74 0.01 0.00 -0.16 0.00 0.00 57.90 54.74 1j03 n TYR 44 Cb 1.09 -0.61 0.34 0.00 -0.31 0.00 0.00 39.34 39.84 1j03 n TYR 44 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 1j03 h SER 45 N 2.71 0.17 0.75 7.72 4.64 -1.75 0.05 113.55 127.85 1j03 h SER 45 Ca 0.43 -0.05 -0.25 0.00 -0.47 0.00 0.00 61.79 61.45 1j03 h SER 45 Cb 0.57 -0.05 -0.04 0.00 -0.31 0.00 0.00 62.40 62.57 1j03 h SER 45 CO 1.12 0.45 -1.34 0.00 -0.87 0.00 0.00 176.83 176.19 1j03 h MET 46 N 0.16 0.00 -0.12 4.77 -0.00 -1.90 -3.32 114.93 114.52 1j03 h MET 46 Ca 0.02 -0.00 -0.18 0.00 -0.00 0.00 0.00 59.70 59.54 1j03 h MET 46 Cb 0.57 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 32.17 1j03 h MET 46 CO 0.04 0.76 -0.67 0.74 -0.00 0.00 0.00 176.91 177.78 1j03 h PHE 47 N 0.00 0.66 -1.41 -0.10 0.04 -1.75 -3.40 116.94 110.98 1j03 h PHE 47 Ca -0.14 -0.27 -0.74 0.00 2.80 0.00 0.00 57.97 59.61 1j03 h PHE 47 Cb 1.89 -0.11 0.04 0.00 2.20 0.00 0.00 35.95 39.97 1j03 h PHE 47 CO 0.00 1.03 0.51 0.00 -0.60 0.00 0.00 178.31 179.25 1j03 n ALA 48 N -2.53 -1.41 -4.03 2.45 0.00 -0.03 0.90 120.51 115.86 1j03 n ALA 48 Ca -0.04 0.50 -0.33 0.00 0.00 0.00 0.00 53.44 53.57 1j03 n ALA 48 Cb 0.67 -2.03 -0.00 0.00 0.00 0.00 0.00 19.45 18.10 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 2.92 -0.47 3.51 0.00 0.00 -1.04 -4.72 105.19 105.38 1j03 n GLY 49 Ca 0.22 0.16 -0.13 0.00 0.00 0.00 0.00 46.02 46.27 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 -6.74 0.70 -0.37 1.61 1.02 0.26 -4.43 119.74 111.79 1j03 s LYS 50 Ca 0.70 0.85 -0.29 0.00 0.02 0.00 0.00 55.97 57.25 1j03 s LYS 50 Cb -0.37 0.34 0.01 0.00 -0.52 0.00 0.00 37.83 37.29 1j03 s LYS 50 CO 0.86 -0.09 1.27 0.34 -0.92 0.00 0.00 175.35 176.80 1j03 s ASP 51 N 0.36 6.61 -0.89 2.83 -1.08 -1.26 -3.76 116.67 119.49 1j03 s ASP 51 Ca -0.00 0.93 0.00 0.00 -0.52 0.00 0.00 52.55 52.96 1j03 s ASP 51 Cb -0.04 -2.54 0.33 0.00 -1.46 0.00 0.00 42.92 39.21 1j03 s ASP 51 CO 0.00 -1.18 1.64 0.00 0.52 0.00 0.00 175.17 176.15 1j03 n ALA 52 N 7.89 5.80 0.03 3.66 0.00 -1.06 0.67 120.51 137.48 1j03 n ALA 52 Ca 0.14 -4.57 -0.10 0.00 0.00 0.00 0.00 53.44 48.91 1j03 n ALA 52 Cb 0.48 -1.80 -0.08 0.00 0.00 0.00 0.00 19.45 18.05 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 3.76 -0.14 -0.50 0.00 4.64 -1.71 -1.15 113.55 118.45 1j03 h SER 53 Ca 0.45 -0.42 -0.11 0.00 -0.47 0.00 0.00 61.79 61.23 1j03 h SER 53 Cb 0.35 0.03 -0.02 0.00 -0.31 0.00 0.00 62.40 62.46 1j03 h SER 53 CO 1.12 0.47 -0.13 0.03 -0.87 0.00 0.00 176.83 177.45 1j03 h ARG 54 N -0.87 0.98 -0.46 4.77 3.08 -1.71 -0.69 114.38 119.48 1j03 h ARG 54 Ca -0.02 -0.38 -0.00 0.00 0.07 0.00 0.00 59.98 59.65 1j03 h ARG 54 Cb 0.55 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.52 1j03 h ARG 54 CO 0.03 1.05 0.27 0.00 -1.07 0.00 0.00 179.97 180.25 1j03 h ALA 55 N 0.90 0.58 -0.11 0.04 0.00 -1.57 -1.46 119.26 117.65 1j03 h ALA 55 Ca 0.13 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1j03 h ALA 55 Cb 0.70 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1j03 h ALA 55 CO 0.05 0.08 0.06 -0.07 0.00 0.00 0.00 179.25 179.37 1j03 h LEU 56 N 0.60 0.13 0.00 0.00 4.07 -1.04 1.21 115.31 120.29 1j03 h LEU 56 Ca 0.16 -0.08 0.00 0.00 0.08 0.00 0.00 57.88 58.05 1j03 h LEU 56 Cb 0.01 -0.03 0.00 0.00 1.08 0.00 0.00 40.66 41.71 1j03 h LEU 56 CO -0.03 0.17 0.00 0.61 -1.08 0.00 0.00 178.44 178.11 1j03 n GLY 57 N -0.92 -3.24 0.34 0.83 0.00 -0.28 -2.02 105.19 99.90 1j03 n GLY 57 Ca -0.05 0.30 0.19 0.00 0.00 0.00 0.00 46.02 46.46 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 -2.56 1.61 1.57 -1.37 -3.41 116.57 112.41 1j03 h LYS 58 Ca 0.00 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.67 1j03 h LYS 58 Cb 0.00 0.00 0.04 0.00 0.08 0.00 0.00 32.23 32.35 1j03 h LYS 58 CO 0.00 0.00 -0.20 -1.33 -0.57 0.00 0.00 179.45 177.35 1j03 n MET 59 N -3.12 -2.20 -4.24 3.15 2.81 0.35 -5.06 117.12 108.81 1j03 n MET 59 Ca -0.02 0.24 -0.25 0.00 -1.81 0.00 0.00 57.70 55.86 1j03 n MET 59 Cb 0.25 -3.47 -0.08 0.00 -0.71 0.00 0.00 33.22 29.21 1j03 n MET 59 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1j03 s SER 60 N -3.17 4.32 -0.14 7.83 0.15 0.25 -4.96 113.70 117.98 1j03 s SER 60 Ca 0.13 -1.09 0.15 0.00 0.70 0.00 0.00 55.95 55.84 1j03 s SER 60 Cb -0.06 -0.49 0.49 0.00 -1.71 0.00 0.00 66.02 64.26 1j03 s SER 60 CO 0.21 -0.46 1.40 2.29 1.20 0.00 0.00 173.24 177.88 1j03 n LYS 61 N -1.15 2.99 -1.63 5.44 2.85 -1.26 -4.42 118.16 120.98 1j03 n LYS 61 Ca -0.02 -2.69 -0.40 0.00 -1.05 0.00 0.00 58.31 54.16 1j03 n LYS 61 Cb 0.64 -1.74 0.03 0.00 -0.65 0.00 0.00 35.03 33.32 1j03 n LYS 61 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 1j03 n ASN 62 N -0.23 1.26 0.18 -5.58 4.13 -1.26 -4.88 115.26 108.88 1j03 n ASN 62 Ca 0.19 0.94 0.07 0.00 1.68 0.00 0.00 54.58 57.46 1j03 n ASN 62 Cb 0.80 -1.40 0.20 0.00 -1.54 0.00 0.00 39.78 37.84 1j03 n ASN 62 CO 0.00 0.00 0.00 -0.08 0.28 0.00 0.00 177.26 177.46 1j03 h GLU 63 N 1.15 0.00 0.00 3.52 4.81 -1.96 -3.04 114.58 119.05 1j03 h GLU 63 Ca -0.47 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 58.75 1j03 h GLU 63 Cb 1.34 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.72 1j03 h GLU 63 CO 0.54 0.31 -0.80 0.93 -0.73 0.00 0.00 179.01 179.26 1j03 h GLU 64 N 0.00 0.00 0.00 1.92 4.39 -2.01 -3.27 114.58 115.61 1j03 h GLU 64 Ca -0.00 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.64 1j03 h GLU 64 Cb 1.10 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.74 1j03 h GLU 64 CO 0.04 0.03 -0.26 -0.44 -1.16 0.00 0.00 179.01 177.22 1j03 h ASP 65 N 0.00 0.00 -1.08 1.42 3.32 -1.90 -3.38 116.42 114.81 1j03 h ASP 65 Ca -0.01 0.00 -0.54 0.00 0.02 0.00 0.00 57.03 56.49 1j03 h ASP 65 Cb 1.05 0.00 -0.09 0.00 0.22 0.00 0.00 39.33 40.51 1j03 h ASP 65 CO 0.00 0.26 1.36 -0.69 -1.72 0.00 0.00 179.24 178.45 1j03 s VAL 66 N -3.94 3.83 -0.11 -1.35 1.01 -1.23 -2.16 120.40 116.45 1j03 s VAL 66 Ca -0.01 -0.66 0.03 0.00 0.00 0.00 0.00 61.98 61.34 1j03 s VAL 66 Cb 0.12 -4.87 -0.00 0.00 0.00 0.00 0.00 36.38 31.63 1j03 s VAL 66 CO 0.65 -1.76 -0.22 -0.55 0.00 0.00 0.00 175.10 173.22 1j03 s SER 67 N 5.50 3.23 0.00 3.32 0.15 0.21 -4.69 113.70 121.42 1j03 s SER 67 Ca 0.50 -0.53 0.05 0.00 0.70 0.00 0.00 55.95 56.67 1j03 s SER 67 Cb -0.01 -1.44 0.29 0.00 -1.71 0.00 0.00 66.02 63.15 1j03 s SER 67 CO -0.08 0.15 0.97 -0.81 1.20 0.00 0.00 173.24 174.67 1j03 n PRO 68 N 3.58 0.75 -3.35 5.44 -0.04 -1.26 -4.07 135.00 136.05 1j03 n PRO 68 Ca -0.19 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.17 1j03 n PRO 68 Cb 0.53 -1.10 -0.08 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 -1.40 0.48 0.19 3.54 0.15 -1.26 -4.59 113.70 110.80 1j03 s SER 69 Ca 0.07 -0.05 -0.03 0.00 0.70 0.00 0.00 55.95 56.65 1j03 s SER 69 Cb 0.03 1.01 0.38 0.00 -1.71 0.00 0.00 66.02 65.74 1j03 s SER 69 CO 0.06 -0.32 1.02 0.00 1.20 0.00 0.00 173.24 175.19 1j03 n LEU 70 N 5.35 -0.17 0.00 3.45 -0.00 -1.26 -4.54 117.00 119.83 1j03 n LEU 70 Ca -0.02 1.11 0.00 0.00 -0.00 0.00 0.00 56.01 57.10 1j03 n LEU 70 Cb 0.50 -0.36 0.00 0.00 -0.00 0.00 0.00 43.42 43.55 1j03 n LEU 70 CO 0.04 -1.09 0.00 -0.62 -0.00 0.00 0.00 177.39 175.71 1j03 n GLU 71 N -4.98 0.00 0.00 1.47 1.02 -1.26 0.51 120.64 117.40 1j03 n GLU 71 Ca 0.12 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.26 1j03 n GLU 71 Cb 0.40 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.82 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 0.00 4.39 3.47 0.62 0.00 -1.26 -5.09 105.19 107.31 1j03 n GLY 72 Ca 0.00 -0.74 -0.63 0.00 0.00 0.00 0.00 46.02 44.65 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 1.01 0.00 0.99 4.32 0.18 -4.89 117.00 118.61 1j03 n LEU 73 Ca 0.00 0.89 -0.01 0.00 -0.02 0.00 0.00 56.01 56.86 1j03 n LEU 73 Cb 0.00 -0.91 0.01 0.00 -1.62 0.00 0.00 43.42 40.90 1j03 n LEU 73 CO 0.00 -0.79 0.04 0.35 -1.22 0.00 0.00 177.39 175.77 1j03 n THR 74 N 5.48 0.00 -0.11 -5.08 -2.24 -1.26 -4.63 114.28 106.44 1j03 n THR 74 Ca 0.44 -0.04 -0.13 0.00 -2.27 0.00 0.00 64.05 62.06 1j03 n THR 74 Cb -0.04 -1.78 -0.03 0.00 -2.10 0.00 0.00 70.33 66.38 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 0.75 -0.26 -0.78 5.08 -1.96 1.00 114.58 118.42 1j03 h GLU 75 Ca -0.02 -0.37 0.06 0.00 -1.00 0.00 0.00 59.36 58.03 1j03 h GLU 75 Cb 0.05 -0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.24 1j03 h GLU 75 CO 0.01 0.99 -0.18 1.57 -1.00 0.00 0.00 179.01 180.40 1j03 h LYS 76 N 0.53 -0.16 -0.02 2.33 2.10 -1.98 0.28 116.57 119.64 1j03 h LYS 76 Ca 0.06 0.01 -0.21 0.00 -2.00 0.00 0.00 60.65 58.52 1j03 h LYS 76 Cb 0.81 0.04 0.02 0.00 -0.90 0.00 0.00 32.23 32.20 1j03 h LYS 76 CO 0.07 -0.11 -0.79 1.05 -2.00 0.00 0.00 179.45 177.67 1j03 h GLU 77 N -0.16 0.57 -0.66 0.07 9.09 -1.82 -2.09 114.58 119.58 1j03 h GLU 77 Ca 0.14 -0.59 0.19 0.00 0.05 0.00 0.00 59.36 59.16 1j03 h GLU 77 Cb 0.38 0.16 -0.03 0.00 -1.65 0.00 0.00 28.75 27.61 1j03 h GLU 77 CO -0.36 1.20 0.55 0.82 0.05 0.00 0.00 179.01 181.27 1j03 h ILE 78 N 0.17 0.49 0.05 -1.06 1.08 0.16 7.52 117.51 125.92 1j03 h ILE 78 Ca -0.09 0.00 -0.18 0.00 -0.39 0.00 0.00 64.86 64.20 1j03 h ILE 78 Cb 1.46 0.60 -0.01 0.00 -3.07 0.00 0.00 36.82 35.80 1j03 h ILE 78 CO 0.16 0.00 -0.91 0.78 -0.69 0.00 0.00 178.15 177.49 1j03 h ASN 79 N 0.00 0.18 -0.02 1.72 2.35 -0.37 -2.88 115.58 116.56 1j03 h ASN 79 Ca 0.31 -0.81 -0.08 0.00 -0.55 0.00 0.00 56.30 55.18 1j03 h ASN 79 Cb 1.40 -0.06 0.01 0.00 0.05 0.00 0.00 38.32 39.72 1j03 h ASN 79 CO -0.00 1.39 -0.29 0.74 -1.65 0.00 0.00 177.43 177.61 1j03 h THR 80 N -0.70 1.50 0.18 2.81 2.02 -0.18 -2.51 112.91 116.04 1j03 h THR 80 Ca -0.21 -1.89 0.01 0.00 0.77 0.00 0.00 66.41 65.09 1j03 h THR 80 Cb 1.41 2.64 -0.03 0.00 -1.74 0.00 0.00 68.15 70.43 1j03 h THR 80 CO -0.02 0.53 -0.27 0.25 0.37 0.00 0.00 175.52 176.38 1j03 h LEU 81 N -0.39 -0.74 -1.22 2.58 7.12 1.56 0.91 115.31 125.13 1j03 h LEU 81 Ca -0.03 0.08 0.16 0.00 0.13 0.00 0.00 57.88 58.21 1j03 h LEU 81 Cb 1.01 0.27 -0.08 0.00 -0.53 0.00 0.00 40.66 41.33 1j03 h LEU 81 CO 0.06 -0.37 0.59 0.78 -0.13 0.00 0.00 178.44 179.38 1j03 h ASN 82 N -0.51 0.69 0.18 1.25 -0.26 -1.53 0.44 115.58 115.84 1j03 h ASN 82 Ca 0.01 0.05 -0.15 0.00 -0.56 0.00 0.00 56.30 55.65 1j03 h ASN 82 Cb 0.51 -0.08 -0.01 0.00 -1.06 0.00 0.00 38.32 37.68 1j03 h ASN 82 CO -0.11 0.33 -0.57 -0.78 -1.06 0.00 0.00 177.43 175.24 1j03 h ASP 83 N 0.72 0.45 -0.77 5.81 3.58 -0.70 -1.98 116.42 123.53 1j03 h ASP 83 Ca 0.48 -0.24 -0.01 0.00 0.42 0.00 0.00 57.03 57.67 1j03 h ASP 83 Cb 0.78 -0.13 -0.04 0.00 1.72 0.00 0.00 39.33 41.66 1j03 h ASP 83 CO -0.24 0.92 0.43 -0.50 -2.88 0.00 0.00 179.24 176.97 1j03 h TRP 84 N 0.31 1.06 -0.14 0.28 4.06 0.52 0.39 115.95 122.42 1j03 h TRP 84 Ca 0.00 -0.02 -0.03 0.00 2.06 0.00 0.00 58.89 60.90 1j03 h TRP 84 Cb 1.08 -0.34 -0.00 0.00 -1.00 0.00 0.00 29.16 28.90 1j03 h TRP 84 CO 0.03 0.73 -0.04 1.49 -3.56 0.00 0.00 178.44 177.09 1j03 h GLU 85 N 1.09 0.28 -0.30 0.49 4.81 -0.72 0.20 114.58 120.42 1j03 h GLU 85 Ca 0.28 -0.11 -0.04 0.00 -0.13 0.00 0.00 59.36 59.36 1j03 h GLU 85 Cb 0.02 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.36 1j03 h GLU 85 CO -0.05 0.57 0.02 1.15 -0.73 0.00 0.00 179.01 179.98 1j03 h THR 86 N -0.03 1.17 -0.13 0.32 2.02 -0.86 1.60 112.91 117.00 1j03 h THR 86 Ca 0.04 -0.65 -0.23 0.00 0.77 0.00 0.00 66.41 66.34 1j03 h THR 86 Cb 0.47 0.92 0.01 0.00 -1.74 0.00 0.00 68.15 67.81 1j03 h THR 86 CO 0.02 0.22 -0.81 0.11 0.37 0.00 0.00 175.52 175.43 1j03 h LYS 87 N 0.44 0.77 -0.00 6.66 1.57 -0.06 0.26 116.57 126.21 1j03 h LYS 87 Ca 0.10 -0.65 -0.19 0.00 -1.87 0.00 0.00 60.65 58.04 1j03 h LYS 87 Cb 0.26 0.14 0.01 0.00 0.08 0.00 0.00 32.23 32.72 1j03 h LYS 87 CO 0.00 1.25 -0.73 0.74 -0.57 0.00 0.00 179.45 180.15 1j03 h PHE 88 N 0.51 0.74 0.00 -1.35 -1.00 0.00 -2.35 116.94 113.50 1j03 h PHE 88 Ca -0.06 -0.40 0.00 0.00 2.81 0.00 0.00 57.97 60.32 1j03 h PHE 88 Cb 1.44 -0.09 0.00 0.00 3.61 0.00 0.00 35.95 40.91 1j03 h PHE 88 CO 0.09 1.23 0.00 1.05 -1.61 0.00 0.00 178.31 179.06 1j03 h GLU 89 N 0.05 0.00 -0.00 1.51 -0.00 0.23 2.48 114.58 118.85 1j03 h GLU 89 Ca -0.09 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.27 1j03 h GLU 89 Cb 1.42 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 30.17 1j03 h GLU 89 CO 0.14 0.00 -0.52 0.00 -0.00 0.00 0.00 179.01 178.64 1j03 n ALA 90 N -2.06 3.59 0.00 1.06 0.00 0.08 -4.62 120.51 118.57 1j03 n ALA 90 Ca 0.01 -0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.09 1j03 n ALA 90 Cb 0.34 -1.10 0.00 0.00 0.00 0.00 0.00 19.45 18.68 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 -1.47 0.00 -2.12 0.00 5.02 -0.71 -5.03 118.16 113.84 1j03 n LYS 91 Ca 0.06 0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 55.94 1j03 n LYS 91 Cb 0.34 -0.02 -0.02 0.00 -0.02 0.00 0.00 35.03 35.31 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 -1.04 3.08 0.26 2.13 2.02 0.83 -4.98 117.35 119.66 1j03 s TYR 92 Ca 0.00 1.36 -0.30 0.00 -0.37 0.00 0.00 57.07 57.76 1j03 s TYR 92 Cb 0.00 -3.68 -0.09 0.00 -0.40 0.00 0.00 41.96 37.79 1j03 s TYR 92 CO 0.00 -1.92 1.08 -1.25 -1.57 0.00 0.00 175.55 171.90 1j03 s PRO 93 N -1.46 4.66 -0.45 -1.71 0.04 -1.23 -4.19 135.00 130.66 1j03 s PRO 93 Ca 0.51 1.76 -0.21 0.00 0.04 0.00 0.00 61.00 63.10 1j03 s PRO 93 Cb -0.39 -3.21 0.03 0.00 0.04 0.00 0.00 34.50 30.96 1j03 s PRO 93 CO 0.50 0.23 0.65 0.08 0.04 0.00 0.00 177.00 178.50 1j03 s VAL 94 N -1.05 4.82 -1.47 -0.36 1.01 -1.26 0.75 120.40 122.84 1j03 s VAL 94 Ca 0.45 0.08 0.27 0.00 0.00 0.00 0.00 61.98 62.77 1j03 s VAL 94 Cb -0.31 -4.22 0.24 0.00 0.00 0.00 0.00 36.38 32.09 1j03 s VAL 94 CO 0.39 -0.63 1.62 1.33 0.00 0.00 0.00 175.10 177.82 1j03 n VAL 95 N 5.85 0.00 -1.19 2.92 0.24 -1.22 -5.00 118.33 119.93 1j03 n VAL 95 Ca -0.02 -0.07 0.00 0.00 -2.04 0.00 0.00 64.34 62.21 1j03 n VAL 95 Cb 0.48 0.18 0.00 0.00 -1.47 0.00 0.00 33.84 33.03 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 1.38 -2.35 3.06 7.63 0.00 -1.25 -3.94 105.19 109.72 1j03 n GLY 96 Ca 0.11 -1.26 -0.26 0.00 0.00 0.00 0.00 46.02 44.60 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 -1.94 1.97 0.57 1.61 3.03 -1.26 -0.21 118.95 122.73 1j03 s ARG 97 Ca 0.00 -0.50 -0.18 0.00 2.03 0.00 0.00 55.73 57.08 1j03 s ARG 97 Cb 0.00 -1.60 -0.11 0.00 -1.03 0.00 0.00 34.95 32.20 1j03 s ARG 97 CO 0.00 0.04 0.20 0.28 -1.13 0.00 0.00 175.30 174.69 1j03 n VAL 98 N 3.82 1.19 0.00 4.99 0.31 0.62 -2.98 118.33 126.29 1j03 n VAL 98 Ca -0.22 -0.49 0.00 0.00 -0.01 0.00 0.00 64.34 63.62 1j03 n VAL 98 Cb 0.52 -0.38 0.00 0.00 -0.91 0.00 0.00 33.84 33.07 1j03 n VAL 98 CO 0.00 0.00 0.00 0.55 -1.32 0.00 0.00 176.83 176.06 1j03 n VAL 99 N -1.71 0.00 -0.70 2.52 3.14 -1.11 -4.72 118.33 115.76 1j03 n VAL 99 Ca 0.09 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.47 1j03 n VAL 99 Cb 0.48 -0.14 0.00 0.00 -1.06 0.00 0.00 33.84 33.12 1j03 n VAL 99 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17