#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 1.03 0.06 1.61 -0.04 -1.26 -4.96 135.00 131.44 1j03 n PRO 0 Ca 0.00 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.37 1j03 n PRO 0 Cb 0.00 0.00 0.03 0.00 -0.04 0.00 0.00 33.50 33.49 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 0.36 -4.57 0.54 2.86 -1.94 -3.49 114.93 108.69 1j03 h MET 1 Ca 0.00 -0.31 0.00 0.00 -2.06 0.00 0.00 59.70 57.33 1j03 h MET 1 Cb 0.00 0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.72 1j03 h MET 1 CO 0.00 0.96 -0.72 0.39 1.06 0.00 0.00 176.91 178.60 1j03 n GLU 2 N -3.81 -3.68 -4.24 1.72 4.71 -1.26 -4.92 120.64 109.16 1j03 n GLU 2 Ca -0.04 2.67 -0.34 0.00 -0.01 0.00 0.00 57.16 59.44 1j03 n GLU 2 Cb 0.72 -3.51 -0.12 0.00 -1.01 0.00 0.00 31.44 27.52 1j03 n GLU 2 CO 0.00 0.00 0.00 -0.06 0.09 0.00 0.00 177.13 177.16 1j03 s PHE 3 N -0.43 3.07 0.67 -0.32 0.40 -1.15 -4.86 117.98 115.37 1j03 s PHE 3 Ca -0.01 -0.27 -0.11 0.00 -0.60 0.00 0.00 56.93 55.94 1j03 s PHE 3 Cb 0.00 -2.01 -0.01 0.00 0.51 0.00 0.00 43.02 41.51 1j03 s PHE 3 CO 0.03 -0.05 1.06 0.95 0.70 0.00 0.00 175.22 177.91 1j03 s THR 4 N 0.53 4.10 0.44 0.64 -4.23 -1.26 -2.90 115.64 112.97 1j03 s THR 4 Ca -0.01 0.68 0.18 0.00 -1.18 0.00 0.00 61.69 61.36 1j03 s THR 4 Cb -0.14 -3.62 0.37 0.00 1.34 0.00 0.00 72.50 70.45 1j03 s THR 4 CO 0.02 -0.89 1.92 0.00 -0.54 0.00 0.00 174.62 175.13 1j03 h ALA 5 N -0.54 2.21 -0.15 3.99 0.00 -1.92 1.60 119.26 124.46 1j03 h ALA 5 Ca -0.44 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.43 1j03 h ALA 5 Cb 1.22 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 1j03 h ALA 5 CO 0.62 -0.43 -0.03 0.93 0.00 0.00 0.00 179.25 180.34 1j03 h GLU 6 N 0.34 0.28 -0.06 0.00 5.08 -1.96 1.03 114.58 119.30 1j03 h GLU 6 Ca 0.38 -0.10 -0.18 0.00 -1.00 0.00 0.00 59.36 58.46 1j03 h GLU 6 Cb 0.97 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.19 1j03 h GLU 6 CO -0.11 0.55 -0.72 1.96 -1.00 0.00 0.00 179.01 179.69 1j03 h GLN 7 N -0.01 0.31 0.00 2.33 4.20 -1.33 -2.92 115.11 117.68 1j03 h GLN 7 Ca 0.04 -0.25 -0.09 0.00 0.06 0.00 0.00 58.65 58.40 1j03 h GLN 7 Cb 0.44 0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.26 1j03 h GLN 7 CO 0.01 0.90 -0.43 1.25 -0.67 0.00 0.00 178.83 179.90 1j03 h LEU 8 N 0.21 0.00 0.00 1.46 5.85 0.23 -2.77 115.31 120.29 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 1.29 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.32 1j03 h LEU 8 CO 0.12 0.43 0.00 -0.24 -0.34 0.00 0.00 178.44 178.40 1j03 n SER 9 N -3.30 0.00 -0.82 1.25 2.88 0.36 -2.86 113.62 111.14 1j03 n SER 9 Ca 0.01 -0.81 0.02 0.00 -1.33 0.00 0.00 58.87 56.77 1j03 n SER 9 Cb 0.65 -0.06 0.20 0.00 -0.75 0.00 0.00 64.21 64.25 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 -1.06 1.71 -3.00 -1.46 10.64 -1.04 -4.70 117.38 118.47 1j03 n GLN 10 Ca 0.21 -3.21 -0.14 0.00 -1.83 0.00 0.00 57.00 52.03 1j03 n GLN 10 Cb 0.13 -1.70 0.01 0.00 -0.86 0.00 0.00 30.24 27.82 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 -1.12 -0.59 0.32 2.61 4.01 -1.13 -4.76 117.16 116.50 1j03 n TYR 11 Ca 0.25 -3.21 0.06 0.00 -0.16 0.00 0.00 57.90 54.84 1j03 n TYR 11 Cb 0.84 0.18 0.09 0.00 -0.31 0.00 0.00 39.34 40.13 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 0.23 2.36 -1.56 7.72 0.23 -1.26 -0.19 115.26 122.79 1j03 n ASN 12 Ca 0.17 -1.67 -0.00 0.00 -0.53 0.00 0.00 54.58 52.55 1j03 n ASN 12 Cb 0.69 -0.08 -0.00 0.00 -2.08 0.00 0.00 39.78 38.32 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 0.71 -3.00 0.37 4.83 0.00 -1.26 -3.38 105.19 103.46 1j03 n GLY 13 Ca 0.09 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.87 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 0.07 0.00 -0.02 2.61 5.66 -1.26 0.19 114.28 121.53 1j03 n THR 14 Ca -0.01 0.00 -0.01 0.00 -3.05 0.00 0.00 64.05 60.97 1j03 n THR 14 Cb 0.02 0.00 0.01 0.00 -1.55 0.00 0.00 70.33 68.82 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 -1.93 -1.64 0.00 1.09 -0.08 -1.26 -4.92 116.55 107.81 1j03 n ASP 15 Ca 0.00 -0.04 0.00 0.00 -1.51 0.00 0.00 54.79 53.24 1j03 n ASP 15 Cb 0.00 -0.05 0.00 0.00 2.34 0.00 0.00 41.12 43.41 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 -1.64 0.00 -1.34 -0.67 4.71 -1.26 -4.26 120.64 116.18 1j03 n GLU 16 Ca 0.01 0.06 -0.07 0.00 -0.01 0.00 0.00 57.16 57.15 1j03 n GLU 16 Cb 0.03 -0.62 0.11 0.00 -1.01 0.00 0.00 31.44 29.95 1j03 n GLU 16 CO 0.00 0.00 0.00 0.43 0.09 0.00 0.00 177.13 177.65 1j03 n SER 17 N -0.19 3.08 -4.73 1.62 7.64 -1.26 -5.05 113.62 114.73 1j03 n SER 17 Ca 0.00 -3.69 -0.42 0.00 1.01 0.00 0.00 58.87 55.78 1j03 n SER 17 Cb 0.00 -0.44 -0.03 0.00 -1.01 0.00 0.00 64.21 62.74 1j03 n SER 17 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1j03 s LYS 18 N -3.28 4.33 0.68 1.43 3.01 -1.26 -5.00 119.74 119.66 1j03 s LYS 18 Ca 0.43 2.12 -0.11 0.00 -1.01 0.00 0.00 55.97 57.39 1j03 s LYS 18 Cb 0.39 -3.20 0.00 0.00 -1.01 0.00 0.00 37.83 34.01 1j03 s LYS 18 CO -0.03 -0.37 1.06 -1.25 0.51 0.00 0.00 175.35 175.27 1j03 s PRO 19 N 0.43 3.00 -0.26 -1.68 0.04 -1.26 -4.47 135.00 130.81 1j03 s PRO 19 Ca 0.61 0.98 -0.10 0.00 0.04 0.00 0.00 61.00 62.53 1j03 s PRO 19 Cb -0.38 -2.00 -0.05 0.00 0.04 0.00 0.00 34.50 32.12 1j03 s PRO 19 CO 0.35 -1.05 0.16 0.42 0.04 0.00 0.00 177.00 176.91 1j03 s ILE 20 N -2.98 5.19 -0.03 0.56 1.09 -1.26 -4.04 121.20 119.72 1j03 s ILE 20 Ca 0.59 0.12 0.04 0.00 -1.10 0.00 0.00 60.65 60.29 1j03 s ILE 20 Cb -0.14 -3.44 -0.00 0.00 -1.06 0.00 0.00 42.46 37.82 1j03 s ILE 20 CO 0.53 0.31 -0.14 -0.31 -0.10 0.00 0.00 174.94 175.23 1j03 s TYR 21 N 1.41 1.37 0.13 3.97 2.02 0.74 -3.31 117.35 123.67 1j03 s TYR 21 Ca 0.07 -0.37 0.08 0.00 -0.37 0.00 0.00 57.07 56.48 1j03 s TYR 21 Cb -0.15 -0.94 -0.04 0.00 -0.40 0.00 0.00 41.96 40.43 1j03 s TYR 21 CO 0.07 -0.13 -0.11 0.08 -1.57 0.00 0.00 175.55 173.89 1j03 s VAL 22 N 0.10 3.26 -0.09 0.71 1.01 0.18 -3.37 120.40 122.19 1j03 s VAL 22 Ca -0.03 -1.41 0.02 0.00 0.00 0.00 0.00 61.98 60.56 1j03 s VAL 22 Cb -0.10 -2.54 -0.02 0.00 0.00 0.00 0.00 36.38 33.72 1j03 s VAL 22 CO 0.01 0.05 -0.14 0.00 0.00 0.00 0.00 175.10 175.02 1j03 s ALA 23 N -1.34 2.61 -0.21 5.51 0.00 -1.23 0.26 121.76 127.36 1j03 s ALA 23 Ca 0.22 -0.94 -0.04 0.00 0.00 0.00 0.00 51.96 51.21 1j03 s ALA 23 Cb -0.10 -1.08 0.10 0.00 0.00 0.00 0.00 23.12 22.04 1j03 s ALA 23 CO 0.14 0.39 0.25 0.42 0.00 0.00 0.00 175.76 176.95 1j03 s ILE 24 N -0.12 -0.37 -0.31 0.00 1.01 0.74 -2.66 121.20 119.48 1j03 s ILE 24 Ca -0.02 -0.09 0.00 0.00 0.00 0.00 0.00 60.65 60.54 1j03 s ILE 24 Cb -0.14 -0.69 0.00 0.00 0.01 0.00 0.00 42.46 41.64 1j03 s ILE 24 CO 0.04 -0.18 0.00 0.29 0.00 0.00 0.00 174.94 175.08 1j03 n LYS 25 N 5.33 -0.88 -0.15 2.79 5.02 -1.26 -1.72 118.16 127.28 1j03 n LYS 25 Ca -0.05 0.42 0.00 0.00 -2.02 0.00 0.00 58.31 56.66 1j03 n LYS 25 Cb 0.50 -4.20 0.00 0.00 -0.02 0.00 0.00 35.03 31.31 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 -1.28 0.91 3.35 0.72 0.00 -1.26 -4.80 105.19 102.83 1j03 n GLY 26 Ca -0.03 -0.12 -0.33 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.46 3.33 -0.19 1.61 3.52 -0.70 0.24 118.95 126.30 1j03 s ARG 27 Ca 0.00 -0.72 -0.25 0.00 -0.13 0.00 0.00 55.73 54.64 1j03 s ARG 27 Cb 0.00 -2.58 -0.01 0.00 -1.56 0.00 0.00 34.95 30.80 1j03 s ARG 27 CO 0.00 0.21 0.81 0.08 -0.81 0.00 0.00 175.30 175.59 1j03 s VAL 28 N 0.35 4.88 0.14 7.11 1.01 0.44 -0.19 120.40 134.14 1j03 s VAL 28 Ca -0.12 1.58 0.09 0.00 0.00 0.00 0.00 61.98 63.53 1j03 s VAL 28 Cb -0.16 -4.12 -0.04 0.00 0.00 0.00 0.00 36.38 32.06 1j03 s VAL 28 CO 0.06 0.00 -0.17 -0.36 0.00 0.00 0.00 175.10 174.64 1j03 s PHE 29 N 2.33 2.53 -0.24 5.22 0.08 0.74 -3.44 117.98 125.20 1j03 s PHE 29 Ca 0.36 -0.27 -0.12 0.00 0.12 0.00 0.00 56.93 57.03 1j03 s PHE 29 Cb -0.16 -1.30 -0.05 0.00 -0.57 0.00 0.00 43.02 40.94 1j03 s PHE 29 CO 0.11 0.43 0.23 0.34 -0.10 0.00 0.00 175.22 176.23 1j03 s ASP 30 N -2.39 6.18 0.00 1.36 -1.08 0.63 0.49 116.67 121.86 1j03 s ASP 30 Ca 0.20 0.19 0.00 0.00 -0.52 0.00 0.00 52.55 52.42 1j03 s ASP 30 Cb -0.10 -2.14 0.00 0.00 -1.46 0.00 0.00 42.92 39.22 1j03 s ASP 30 CO 0.11 0.00 0.72 1.33 0.52 0.00 0.00 175.17 177.85 1j03 n VAL 31 N 4.45 0.51 0.09 1.11 0.24 -1.21 -3.62 118.33 119.91 1j03 n VAL 31 Ca -0.13 -0.61 0.20 0.00 -2.04 0.00 0.00 64.34 61.77 1j03 n VAL 31 Cb 0.52 0.82 0.74 0.00 -1.47 0.00 0.00 33.84 34.45 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 0.74 0.36 0.00 3.34 1.03 -1.91 0.20 112.91 116.67 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 0.52 0.64 0.00 0.00 -1.07 0.00 0.00 68.15 68.24 1j03 h THR 32 CO 0.00 0.00 0.13 1.07 -0.01 0.00 0.00 175.52 176.71 1j03 n THR 33 N -3.69 1.36 -2.70 0.00 5.66 -1.26 -1.55 114.28 112.11 1j03 n THR 33 Ca 0.07 0.47 -0.05 0.00 -3.05 0.00 0.00 64.05 61.49 1j03 n THR 33 Cb 0.62 -1.47 0.10 0.00 -1.55 0.00 0.00 70.33 68.03 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 1.61 0.39 1.09 0.00 0.68 -4.93 105.19 102.70 1j03 n GLY 34 Ca 0.00 -0.44 0.18 0.00 0.00 0.00 0.00 46.02 45.76 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 1.96 0.00 0.00 1.61 2.10 -1.27 0.80 116.57 121.77 1j03 h LYS 35 Ca -0.28 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.37 1j03 h LYS 35 Cb 1.28 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.61 1j03 h LYS 35 CO 0.02 0.00 0.17 1.03 -2.00 0.00 0.00 179.45 178.68 1j03 h SER 36 N 0.00 0.00 0.00 7.07 0.87 -1.90 5.22 113.55 124.82 1j03 h SER 36 Ca 0.17 0.00 -0.23 0.00 -1.23 0.00 0.00 61.79 60.49 1j03 h SER 36 Cb 1.35 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 63.27 1j03 h SER 36 CO -0.00 0.00 -1.85 0.49 -0.53 0.00 0.00 176.83 174.94 1j03 n PHE 37 N -2.64 0.00 -0.03 2.24 3.72 0.28 -4.32 117.46 116.70 1j03 n PHE 37 Ca -0.02 0.00 -0.19 0.00 -0.05 0.00 0.00 57.45 57.19 1j03 n PHE 37 Cb 0.22 -0.57 -0.14 0.00 -0.94 0.00 0.00 39.48 38.06 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 -3.14 0.87 -0.70 1.38 4.01 -0.86 0.34 117.16 119.07 1j03 n TYR 38 Ca -0.27 0.20 -0.23 0.00 -0.16 0.00 0.00 57.90 57.43 1j03 n TYR 38 Cb 0.76 -1.12 0.10 0.00 -0.31 0.00 0.00 39.34 38.78 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 2.01 -2.36 3.14 2.72 0.00 1.70 -4.44 105.19 107.95 1j03 n GLY 39 Ca -0.34 -0.52 -0.53 0.00 0.00 0.00 0.00 46.02 44.63 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 0.40 0.06 -3.34 1.61 2.88 0.51 -2.54 113.62 113.20 1j03 n SER 40 Ca 0.02 1.04 -0.24 0.00 -1.33 0.00 0.00 58.87 58.36 1j03 n SER 40 Cb 0.45 -0.82 0.02 0.00 -0.75 0.00 0.00 64.21 63.11 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 1.48 -0.14 3.43 0.46 0.00 -1.26 -4.98 105.19 104.19 1j03 n GLY 41 Ca 0.18 0.78 -0.16 0.00 0.00 0.00 0.00 46.02 46.83 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 0.31 2.25 0.29 -0.02 0.00 -1.05 -4.92 105.19 102.04 1j03 n GLY 42 Ca -0.04 -1.69 0.01 0.00 0.00 0.00 0.00 46.02 44.30 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 2.05 -0.74 -2.19 1.61 3.58 0.56 -0.09 116.42 121.20 1j03 h ASP 43 Ca -0.27 0.22 -0.80 0.00 0.42 0.00 0.00 57.03 56.60 1j03 h ASP 43 Cb 1.23 0.47 -0.27 0.00 1.72 0.00 0.00 39.33 42.48 1j03 h ASP 43 CO 0.37 -0.25 1.04 -1.22 -2.88 0.00 0.00 179.24 176.30 1j03 n TYR 44 N -5.48 2.83 0.10 0.28 4.01 0.48 -4.65 117.16 114.72 1j03 n TYR 44 Ca 0.09 -2.51 -0.04 0.00 -0.16 0.00 0.00 57.90 55.29 1j03 n TYR 44 Cb 0.38 -1.19 0.12 0.00 -0.31 0.00 0.00 39.34 38.33 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 3.90 0.20 0.82 7.72 4.64 -1.13 -0.03 113.55 129.67 1j03 h SER 45 Ca 0.55 -0.12 -0.24 0.00 -0.47 0.00 0.00 61.79 61.50 1j03 h SER 45 Cb 0.25 -0.06 -0.03 0.00 -0.31 0.00 0.00 62.40 62.25 1j03 h SER 45 CO 1.24 0.78 -1.19 0.00 -0.87 0.00 0.00 176.83 176.79 1j03 h MET 46 N 0.13 0.06 0.03 4.77 -0.00 -1.84 -3.30 114.93 114.78 1j03 h MET 46 Ca -0.01 -0.11 -0.22 0.00 -0.00 0.00 0.00 59.70 59.37 1j03 h MET 46 Cb 1.14 0.04 -0.01 0.00 -0.00 0.00 0.00 31.60 32.77 1j03 h MET 46 CO 0.09 0.96 -0.97 0.74 -0.00 0.00 0.00 176.91 177.73 1j03 h PHE 47 N 0.02 0.37 -1.94 -0.10 0.04 -1.81 -3.41 116.94 110.11 1j03 h PHE 47 Ca -0.09 -0.22 -0.64 0.00 2.80 0.00 0.00 57.97 59.81 1j03 h PHE 47 Cb 1.86 -0.03 0.03 0.00 2.20 0.00 0.00 35.95 40.00 1j03 h PHE 47 CO 0.01 1.07 0.95 0.00 -0.60 0.00 0.00 178.31 179.75 1j03 n ALA 48 N -2.48 0.57 -2.73 2.45 0.00 -0.03 0.16 120.51 118.44 1j03 n ALA 48 Ca -0.05 0.36 -0.18 0.00 0.00 0.00 0.00 53.44 53.57 1j03 n ALA 48 Cb 0.87 -2.38 0.02 0.00 0.00 0.00 0.00 19.45 17.96 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 4.02 -0.32 3.54 0.00 0.00 -1.22 -4.72 105.19 106.50 1j03 n GLY 49 Ca 0.22 -0.07 -0.15 0.00 0.00 0.00 0.00 46.02 46.03 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 -5.32 0.86 -0.57 1.61 1.02 0.12 -4.34 119.74 113.13 1j03 s LYS 50 Ca 0.18 0.20 -0.24 0.00 0.02 0.00 0.00 55.97 56.13 1j03 s LYS 50 Cb -0.08 0.41 0.05 0.00 -0.52 0.00 0.00 37.83 37.68 1j03 s LYS 50 CO 0.22 -0.27 0.94 0.34 -0.92 0.00 0.00 175.35 175.67 1j03 s ASP 51 N -1.18 6.30 -0.97 2.83 -1.08 -1.26 -3.57 116.67 117.74 1j03 s ASP 51 Ca -0.07 -0.49 -0.04 0.00 -0.52 0.00 0.00 52.55 51.43 1j03 s ASP 51 Cb -0.00 -2.43 0.13 0.00 -1.46 0.00 0.00 42.92 39.16 1j03 s ASP 51 CO 0.06 -1.27 2.44 0.00 0.52 0.00 0.00 175.17 176.92 1j03 n ALA 52 N 7.50 6.60 0.05 3.66 0.00 -1.09 0.21 120.51 137.44 1j03 n ALA 52 Ca 0.00 -3.79 -0.08 0.00 0.00 0.00 0.00 53.44 49.58 1j03 n ALA 52 Cb 0.47 -2.46 -0.05 0.00 0.00 0.00 0.00 19.45 17.41 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 3.93 -0.18 -0.54 0.00 0.02 -1.75 -1.96 113.55 113.07 1j03 h SER 53 Ca 0.57 -0.23 -0.06 0.00 -0.84 0.00 0.00 61.79 61.23 1j03 h SER 53 Cb 0.43 0.05 -0.02 0.00 0.14 0.00 0.00 62.40 63.00 1j03 h SER 53 CO 1.24 0.37 0.12 0.03 -1.14 0.00 0.00 176.83 177.45 1j03 h ARG 54 N -0.99 0.88 -0.79 3.45 3.08 -1.81 0.36 114.38 118.56 1j03 h ARG 54 Ca -0.02 -0.22 0.02 0.00 0.07 0.00 0.00 59.98 59.83 1j03 h ARG 54 Cb 0.41 -0.11 -0.04 0.00 0.08 0.00 0.00 29.97 30.30 1j03 h ARG 54 CO 0.04 0.84 0.52 0.00 -1.07 0.00 0.00 179.97 180.30 1j03 h ALA 55 N 1.01 1.47 -0.03 0.04 0.00 -1.70 0.30 119.26 120.34 1j03 h ALA 55 Ca 0.17 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 1j03 h ALA 55 Cb 0.36 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1j03 h ALA 55 CO 0.00 0.47 -0.18 -0.07 0.00 0.00 0.00 179.25 179.48 1j03 h LEU 56 N 1.03 0.21 0.00 0.00 3.38 -0.86 0.32 115.31 119.40 1j03 h LEU 56 Ca 0.30 -0.67 -0.00 0.00 0.09 0.00 0.00 57.88 57.60 1j03 h LEU 56 Cb -0.06 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.63 1j03 h LEU 56 CO -0.07 0.85 -0.00 1.23 0.09 0.00 0.00 178.44 180.54 1j03 h GLY 57 N -0.41 -0.35 2.00 0.83 0.00 0.22 -2.63 103.07 102.72 1j03 h GLY 57 Ca -0.01 0.15 -0.00 0.00 0.00 0.00 0.00 47.33 47.46 1j03 h GLY 57 CO 0.04 -0.13 -0.02 0.50 0.00 0.00 0.00 176.54 176.92 1j03 h LYS 58 N -0.01 0.00 -4.32 4.80 1.57 -0.57 -3.41 116.57 114.64 1j03 h LYS 58 Ca -0.00 0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 58.56 1j03 h LYS 58 Cb 0.00 0.00 0.11 0.00 0.08 0.00 0.00 32.23 32.42 1j03 h LYS 58 CO 0.00 0.02 -0.49 -1.33 -0.57 0.00 0.00 179.45 177.08 1j03 n MET 59 N -3.25 -4.35 -0.07 3.15 2.81 0.80 -4.95 117.12 111.26 1j03 n MET 59 Ca -0.02 0.54 -0.05 0.00 -1.81 0.00 0.00 57.70 56.36 1j03 n MET 59 Cb 0.15 -4.66 -0.13 0.00 -0.71 0.00 0.00 33.22 27.87 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 -2.27 1.11 -2.06 7.83 2.88 0.72 -4.98 113.62 116.85 1j03 n SER 60 Ca -0.17 0.00 -0.19 0.00 -1.33 0.00 0.00 58.87 57.18 1j03 n SER 60 Cb 0.60 1.02 -0.02 0.00 -0.75 0.00 0.00 64.21 65.07 1j03 n SER 60 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1j03 n LYS 61 N -2.51 -1.49 -3.11 -1.46 5.02 -1.09 -4.95 118.16 108.57 1j03 n LYS 61 Ca -0.22 0.97 -0.39 0.00 -2.02 0.00 0.00 58.31 56.64 1j03 n LYS 61 Cb 0.93 -5.49 -0.05 0.00 -0.02 0.00 0.00 35.03 30.40 1j03 n LYS 61 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 1j03 s ASN 62 N -2.25 7.03 0.47 4.39 3.04 -1.26 -4.87 114.94 121.49 1j03 s ASN 62 Ca 0.00 1.23 0.32 0.00 0.04 0.00 0.00 52.86 54.45 1j03 s ASN 62 Cb 0.00 -2.40 1.60 0.00 -1.54 0.00 0.00 41.25 38.91 1j03 s ASN 62 CO 0.00 0.02 1.96 -0.08 -3.04 0.00 0.00 177.10 175.96 1j03 h GLU 63 N 5.99 0.00 0.00 0.43 4.81 -1.92 0.23 114.58 124.12 1j03 h GLU 63 Ca -0.44 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 58.69 1j03 h GLU 63 Cb 1.20 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.56 1j03 h GLU 63 CO 0.72 0.00 -1.26 0.93 -0.73 0.00 0.00 179.01 178.67 1j03 h GLU 64 N 0.00 0.00 0.02 1.92 4.39 -1.95 -3.34 114.58 115.62 1j03 h GLU 64 Ca 0.00 0.00 -0.27 0.00 0.34 0.00 0.00 59.36 59.43 1j03 h GLU 64 Cb 0.15 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 28.82 1j03 h GLU 64 CO 0.00 0.19 -1.06 -0.44 -1.16 0.00 0.00 179.01 176.54 1j03 h ASP 65 N 0.00 0.85 -1.33 1.42 3.32 -1.37 -3.45 116.42 115.86 1j03 h ASP 65 Ca -0.11 -0.69 -0.77 0.00 0.02 0.00 0.00 57.03 55.48 1j03 h ASP 65 Cb 1.38 -0.26 0.01 0.00 0.22 0.00 0.00 39.33 40.68 1j03 h ASP 65 CO 0.03 1.50 0.91 1.33 -1.72 0.00 0.00 179.24 181.28 1j03 n VAL 66 N -3.82 0.22 -4.25 -1.35 0.24 -0.77 -3.99 118.33 104.62 1j03 n VAL 66 Ca -0.11 -0.05 -0.26 0.00 -2.04 0.00 0.00 64.34 61.88 1j03 n VAL 66 Cb 0.89 -1.06 -0.17 0.00 -1.47 0.00 0.00 33.84 32.04 1j03 n VAL 66 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1j03 s SER 67 N 3.77 2.08 0.00 -1.34 1.04 0.56 -4.77 113.70 115.05 1j03 s SER 67 Ca 1.02 -0.33 0.10 0.00 0.48 0.00 0.00 55.95 57.21 1j03 s SER 67 Cb -1.18 -0.89 0.58 0.00 0.10 0.00 0.00 66.02 64.64 1j03 s SER 67 CO 0.69 -0.04 1.18 -0.81 0.98 0.00 0.00 173.24 175.24 1j03 n PRO 68 N 4.39 0.75 -3.74 4.02 -0.04 -1.26 -4.02 135.00 135.11 1j03 n PRO 68 Ca -0.18 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.15 1j03 n PRO 68 Cb 0.51 -1.20 -0.10 0.00 -0.04 0.00 0.00 33.50 32.67 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 -1.55 -0.34 -0.10 3.54 1.04 -1.26 -3.98 113.70 111.05 1j03 s SER 69 Ca 0.15 0.55 -0.05 0.00 0.48 0.00 0.00 55.95 57.07 1j03 s SER 69 Cb 0.07 0.62 -0.19 0.00 0.10 0.00 0.00 66.02 66.62 1j03 s SER 69 CO 0.11 -0.25 3.39 0.00 0.98 0.00 0.00 173.24 177.47 1j03 n LEU 70 N 2.28 5.51 -2.45 2.42 -0.00 -1.26 -4.59 117.00 118.92 1j03 n LEU 70 Ca -0.16 -3.35 -0.27 0.00 -0.00 0.00 0.00 56.01 52.23 1j03 n LEU 70 Cb 0.57 -1.37 -0.03 0.00 -0.00 0.00 0.00 43.42 42.59 1j03 n LEU 70 CO 0.17 1.68 1.52 -1.84 -0.00 0.00 0.00 177.39 178.92 1j03 n GLU 71 N 2.11 2.37 0.00 1.47 0.28 -1.26 -3.97 120.64 121.64 1j03 n GLU 71 Ca 0.43 -2.40 0.00 0.00 -0.16 0.00 0.00 57.16 55.03 1j03 n GLU 71 Cb 0.83 -2.09 0.00 0.00 1.43 0.00 0.00 31.44 31.61 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 0.57 0.13 2.87 -1.84 0.00 -1.26 -5.09 105.19 100.58 1j03 n GLY 72 Ca 0.47 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.16 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 0.20 0.00 0.99 7.99 -1.25 -4.84 117.00 120.09 1j03 n LEU 73 Ca 0.00 0.13 -0.09 0.00 -0.01 0.00 0.00 56.01 56.05 1j03 n LEU 73 Cb 0.00 -0.75 0.08 0.00 -0.11 0.00 0.00 43.42 42.64 1j03 n LEU 73 CO 0.00 -0.61 0.15 0.35 -1.51 0.00 0.00 177.39 175.78 1j03 n THR 74 N 6.12 0.00 -0.09 -5.08 -2.24 -1.26 -4.50 114.28 107.24 1j03 n THR 74 Ca 0.54 -0.10 -0.13 0.00 -2.27 0.00 0.00 64.05 62.09 1j03 n THR 74 Cb 0.03 -0.83 -0.05 0.00 -2.10 0.00 0.00 70.33 67.38 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 0.66 -0.30 -0.78 5.08 -1.96 0.94 114.58 118.22 1j03 h GLU 75 Ca -0.12 -0.36 0.07 0.00 -1.00 0.00 0.00 59.36 57.95 1j03 h GLU 75 Cb 0.37 0.02 -0.07 0.00 0.50 0.00 0.00 28.75 29.57 1j03 h GLU 75 CO 0.08 0.96 -0.14 1.57 -1.00 0.00 0.00 179.01 180.47 1j03 h LYS 76 N 0.38 -0.10 -0.01 2.33 2.10 -1.96 0.13 116.57 119.44 1j03 h LYS 76 Ca 0.04 0.01 -0.26 0.00 -2.00 0.00 0.00 60.65 58.43 1j03 h LYS 76 Cb 0.85 0.02 0.02 0.00 -0.90 0.00 0.00 32.23 32.23 1j03 h LYS 76 CO 0.07 -0.07 -1.02 1.05 -2.00 0.00 0.00 179.45 177.48 1j03 h GLU 77 N -0.10 0.69 -0.67 0.07 9.09 -1.77 -0.98 114.58 120.91 1j03 h GLU 77 Ca 0.15 -0.73 0.19 0.00 0.05 0.00 0.00 59.36 59.03 1j03 h GLU 77 Cb 0.34 0.20 -0.03 0.00 -1.65 0.00 0.00 28.75 27.61 1j03 h GLU 77 CO -0.36 1.31 0.54 0.82 0.05 0.00 0.00 179.01 181.36 1j03 h ILE 78 N 0.39 0.52 0.09 -1.06 1.08 0.16 7.89 117.51 126.59 1j03 h ILE 78 Ca -0.12 0.00 -0.35 0.00 -0.39 0.00 0.00 64.86 64.00 1j03 h ILE 78 Cb 1.67 0.61 -0.03 0.00 -3.07 0.00 0.00 36.82 36.01 1j03 h ILE 78 CO 0.20 0.00 -1.92 0.59 -0.69 0.00 0.00 178.15 176.33 1j03 n ASN 79 N -4.10 2.06 -0.00 1.72 3.02 0.39 -3.07 115.26 115.28 1j03 n ASN 79 Ca 0.13 0.22 -0.18 0.00 -0.03 0.00 0.00 54.58 54.73 1j03 n ASN 79 Cb 0.79 -0.84 -0.10 0.00 -0.61 0.00 0.00 39.78 39.02 1j03 n ASN 79 CO 0.00 0.00 0.00 0.74 -2.62 0.00 0.00 177.26 175.38 1j03 h THR 80 N -0.18 1.36 0.12 3.41 2.02 0.46 -2.91 112.91 117.20 1j03 h THR 80 Ca -0.43 -2.02 -0.01 0.00 0.77 0.00 0.00 66.41 64.71 1j03 h THR 80 Cb 1.87 2.36 0.00 0.00 -1.74 0.00 0.00 68.15 70.64 1j03 h THR 80 CO -0.00 0.61 -0.06 0.25 0.37 0.00 0.00 175.52 176.69 1j03 h LEU 81 N 0.14 -0.14 -0.30 2.58 5.85 1.65 0.31 115.31 125.40 1j03 h LEU 81 Ca -0.07 -0.07 0.04 0.00 0.84 0.00 0.00 57.88 58.62 1j03 h LEU 81 Cb 1.36 0.04 -0.07 0.00 0.37 0.00 0.00 40.66 42.35 1j03 h LEU 81 CO 0.14 -0.03 -0.55 -1.13 -0.34 0.00 0.00 178.44 176.53 1j03 h ASN 82 N -0.25 -1.82 -0.81 1.25 -0.73 -1.57 1.04 115.58 112.69 1j03 h ASN 82 Ca -0.02 0.23 0.06 0.00 1.87 0.00 0.00 56.30 58.44 1j03 h ASN 82 Cb 0.20 0.73 -0.05 0.00 0.27 0.00 0.00 38.32 39.47 1j03 h ASN 82 CO 0.03 -0.44 0.53 -0.78 -0.37 0.00 0.00 177.43 176.40 1j03 h ASP 83 N -0.47 0.79 -0.68 1.15 1.82 -1.40 0.67 116.42 118.30 1j03 h ASP 83 Ca 0.06 0.00 0.02 0.00 -0.39 0.00 0.00 57.03 56.72 1j03 h ASP 83 Cb 0.63 -0.17 -0.04 0.00 0.68 0.00 0.00 39.33 40.43 1j03 h ASP 83 CO -0.53 0.51 0.44 -0.50 -1.61 0.00 0.00 179.24 177.55 1j03 h TRP 84 N 0.90 0.83 0.05 0.28 -0.00 0.34 0.25 115.95 118.60 1j03 h TRP 84 Ca 0.35 0.02 -0.00 0.00 -0.00 0.00 0.00 58.89 59.26 1j03 h TRP 84 Cb 0.22 -0.28 0.00 0.00 -0.00 0.00 0.00 29.16 29.10 1j03 h TRP 84 CO -0.00 0.49 -0.03 1.49 -0.00 0.00 0.00 178.44 180.40 1j03 h GLU 85 N 0.88 -0.07 -0.18 0.49 4.22 0.31 0.28 114.58 120.51 1j03 h GLU 85 Ca 0.26 0.00 0.03 0.00 0.08 0.00 0.00 59.36 59.74 1j03 h GLU 85 Cb -0.04 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 1j03 h GLU 85 CO -0.08 0.07 0.12 1.15 -2.18 0.00 0.00 179.01 178.09 1j03 h THR 86 N -0.20 0.97 -0.03 0.32 2.02 -0.60 3.99 112.91 119.39 1j03 h THR 86 Ca -0.01 -0.04 -0.20 0.00 0.77 0.00 0.00 66.41 66.94 1j03 h THR 86 Cb 0.17 0.85 0.01 0.00 -1.74 0.00 0.00 68.15 67.45 1j03 h THR 86 CO 0.01 0.02 -0.76 0.11 0.37 0.00 0.00 175.52 175.27 1j03 h LYS 87 N 0.11 0.56 0.17 6.66 1.57 0.04 0.56 116.57 126.25 1j03 h LYS 87 Ca 0.08 -0.57 -0.24 0.00 -1.87 0.00 0.00 60.65 58.04 1j03 h LYS 87 Cb 0.17 0.15 0.03 0.00 0.08 0.00 0.00 32.23 32.66 1j03 h LYS 87 CO -0.01 1.19 -1.06 0.74 -0.57 0.00 0.00 179.45 179.74 1j03 h PHE 88 N 0.16 0.73 -0.29 -1.35 -1.00 0.73 -3.17 116.94 112.75 1j03 h PHE 88 Ca -0.09 -0.52 -0.11 0.00 2.81 0.00 0.00 57.97 60.06 1j03 h PHE 88 Cb 1.44 -0.03 -0.01 0.00 3.61 0.00 0.00 35.95 40.95 1j03 h PHE 88 CO 0.12 1.40 -0.28 1.49 -1.61 0.00 0.00 178.31 179.43 1j03 h GLU 89 N -0.15 0.58 -1.06 1.51 4.22 0.75 2.05 114.58 122.48 1j03 h GLU 89 Ca -0.18 -0.24 -0.31 0.00 0.08 0.00 0.00 59.36 58.71 1j03 h GLU 89 Cb 1.83 -0.02 -0.17 0.00 0.50 0.00 0.00 28.75 30.88 1j03 h GLU 89 CO 0.20 0.80 0.39 0.00 -2.18 0.00 0.00 179.01 178.22 1j03 n ALA 90 N -2.49 4.41 0.06 2.92 0.00 0.19 -4.14 120.51 121.45 1j03 n ALA 90 Ca -0.01 -1.69 0.00 0.00 0.00 0.00 0.00 53.44 51.74 1j03 n ALA 90 Cb 0.44 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.61 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 -0.36 0.00 -3.40 0.00 5.02 -0.91 -4.91 118.16 113.61 1j03 n LYS 91 Ca 0.34 0.00 -0.37 0.00 -2.02 0.00 0.00 58.31 56.26 1j03 n LYS 91 Cb 1.09 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 36.04 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 3.72 0.14 2.13 2.02 0.69 -5.05 117.35 119.00 1j03 s TYR 92 Ca 0.00 1.09 -0.30 0.00 -0.37 0.00 0.00 57.07 57.49 1j03 s TYR 92 Cb 0.00 -2.37 -0.07 0.00 -0.40 0.00 0.00 41.96 39.12 1j03 s TYR 92 CO 0.00 0.57 1.13 -1.25 -1.57 0.00 0.00 175.55 174.44 1j03 s PRO 93 N -1.33 4.54 -0.44 -1.71 0.04 -1.24 -4.51 135.00 130.35 1j03 s PRO 93 Ca 0.29 1.74 -0.22 0.00 0.04 0.00 0.00 61.00 62.85 1j03 s PRO 93 Cb -0.17 -3.30 0.03 0.00 0.04 0.00 0.00 34.50 31.10 1j03 s PRO 93 CO 0.17 -0.03 0.71 0.08 0.04 0.00 0.00 177.00 177.96 1j03 s VAL 94 N 0.15 4.74 -0.84 -0.36 1.01 -1.26 -0.27 120.40 123.56 1j03 s VAL 94 Ca 0.52 0.25 0.24 0.00 0.00 0.00 0.00 61.98 62.99 1j03 s VAL 94 Cb -0.30 -4.26 -0.01 0.00 0.00 0.00 0.00 36.38 31.82 1j03 s VAL 94 CO 0.34 -0.66 1.32 1.33 0.00 0.00 0.00 175.10 177.43 1j03 n VAL 95 N 5.98 0.12 -0.32 2.92 0.24 -1.22 -5.01 118.33 121.04 1j03 n VAL 95 Ca 0.00 -0.11 0.00 0.00 -2.04 0.00 0.00 64.34 62.19 1j03 n VAL 95 Cb 0.48 0.16 0.00 0.00 -1.47 0.00 0.00 33.84 33.01 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 1.44 -1.78 3.13 7.63 0.00 -1.25 -3.75 105.19 110.60 1j03 n GLY 96 Ca 0.04 -1.12 -0.28 0.00 0.00 0.00 0.00 46.02 44.66 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 -1.89 2.19 0.58 1.61 3.03 -1.26 -0.42 118.95 122.80 1j03 s ARG 97 Ca 0.00 -0.64 -0.18 0.00 2.03 0.00 0.00 55.73 56.94 1j03 s ARG 97 Cb 0.00 -1.77 -0.08 0.00 -1.03 0.00 0.00 34.95 32.07 1j03 s ARG 97 CO 0.00 0.16 0.62 0.28 -1.13 0.00 0.00 175.30 175.23 1j03 n VAL 98 N 3.48 2.61 0.11 4.99 0.31 0.67 -2.92 118.33 127.57 1j03 n VAL 98 Ca -0.20 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.63 1j03 n VAL 98 Cb 0.52 -0.79 0.00 0.00 -0.91 0.00 0.00 33.84 32.67 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 -1.74 0.22 -0.29 2.52 0.24 -1.14 -4.70 118.33 113.44 1j03 n VAL 99 Ca 0.12 0.07 0.00 0.00 -2.04 0.00 0.00 64.34 62.50 1j03 n VAL 99 Cb 0.48 -0.73 0.00 0.00 -1.47 0.00 0.00 33.84 32.11 1j03 n VAL 99 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45