#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 0.80 0.02 1.61 -0.04 -1.26 -4.95 135.00 131.18 1j03 n PRO 0 Ca 0.00 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.38 1j03 n PRO 0 Cb 0.00 0.00 0.08 0.00 -0.04 0.00 0.00 33.50 33.54 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 0.49 -4.54 0.54 2.86 -1.95 -3.48 114.93 108.85 1j03 h MET 1 Ca 0.00 -0.30 0.00 0.00 -2.06 0.00 0.00 59.70 57.34 1j03 h MET 1 Cb 0.00 0.03 0.00 0.00 0.06 0.00 0.00 31.60 31.69 1j03 h MET 1 CO 0.00 0.90 -0.77 0.39 1.06 0.00 0.00 176.91 178.49 1j03 n GLU 2 N -3.95 -4.10 -4.38 1.72 1.02 -1.26 -4.92 120.64 104.76 1j03 n GLU 2 Ca -0.03 2.96 -0.34 0.00 -0.02 0.00 0.00 57.16 59.74 1j03 n GLU 2 Cb 0.59 -3.78 -0.12 0.00 -0.02 0.00 0.00 31.44 28.11 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 -0.46 3.03 0.73 -0.32 0.40 -1.08 -4.87 117.98 115.41 1j03 s PHE 3 Ca 0.00 -0.29 -0.11 0.00 -0.60 0.00 0.00 56.93 55.92 1j03 s PHE 3 Cb 0.00 -1.96 0.03 0.00 0.51 0.00 0.00 43.02 41.59 1j03 s PHE 3 CO 0.00 -0.04 1.09 0.95 0.70 0.00 0.00 175.22 177.92 1j03 s THR 4 N 0.38 3.52 0.39 0.64 -4.23 -1.26 -2.27 115.64 112.80 1j03 s THR 4 Ca -0.04 0.49 0.13 0.00 -1.18 0.00 0.00 61.69 61.09 1j03 s THR 4 Cb -0.14 -3.38 0.34 0.00 1.34 0.00 0.00 72.50 70.66 1j03 s THR 4 CO 0.03 -0.64 1.88 0.00 -0.54 0.00 0.00 174.62 175.35 1j03 h ALA 5 N -0.77 1.98 -0.23 3.99 0.00 -1.89 1.50 119.26 123.83 1j03 h ALA 5 Ca -0.45 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.43 1j03 h ALA 5 Cb 1.25 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 1j03 h ALA 5 CO 0.61 -0.22 -0.02 0.93 0.00 0.00 0.00 179.25 180.56 1j03 h GLU 6 N 0.55 0.42 -0.02 0.00 3.07 -1.92 1.67 114.58 118.36 1j03 h GLU 6 Ca 0.43 -0.14 -0.15 0.00 -0.50 0.00 0.00 59.36 59.00 1j03 h GLU 6 Cb 0.83 -0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 28.69 1j03 h GLU 6 CO -0.17 0.62 -0.66 0.37 -1.40 0.00 0.00 179.01 177.76 1j03 h GLN 7 N 0.18 0.09 0.00 2.33 4.15 -1.33 -2.90 115.11 117.64 1j03 h GLN 7 Ca 0.06 -0.07 -0.10 0.00 0.77 0.00 0.00 58.65 59.31 1j03 h GLN 7 Cb 0.44 0.01 -0.02 0.00 0.21 0.00 0.00 27.48 28.13 1j03 h GLN 7 CO 0.02 0.72 -0.66 1.25 -1.93 0.00 0.00 178.83 178.22 1j03 h LEU 8 N 0.06 0.00 -2.17 -2.39 5.85 0.22 -3.18 115.31 113.70 1j03 h LEU 8 Ca -0.01 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.66 1j03 h LEU 8 Cb 1.18 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.18 1j03 h LEU 8 CO 0.09 0.42 0.06 -1.54 -0.34 0.00 0.00 178.44 177.14 1j03 n SER 9 N -3.10 2.91 -0.21 1.25 3.41 0.57 -3.22 113.62 115.23 1j03 n SER 9 Ca -0.00 -2.42 0.02 0.00 -0.26 0.00 0.00 58.87 56.21 1j03 n SER 9 Cb 0.72 -0.59 0.03 0.00 -0.26 0.00 0.00 64.21 64.11 1j03 n SER 9 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1j03 n GLN 10 N 0.14 0.69 -3.18 4.33 10.64 -1.20 -4.85 117.38 123.95 1j03 n GLN 10 Ca 0.14 -1.26 -0.19 0.00 -1.83 0.00 0.00 57.00 53.85 1j03 n GLN 10 Cb 0.69 -0.78 -0.03 0.00 -0.86 0.00 0.00 30.24 29.26 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 -0.37 0.35 -0.82 2.61 4.01 -1.20 -4.82 117.16 116.93 1j03 n TYR 11 Ca 0.03 -3.81 0.08 0.00 -0.16 0.00 0.00 57.90 54.04 1j03 n TYR 11 Cb 0.57 -0.42 0.20 0.00 -0.31 0.00 0.00 39.34 39.38 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 0.33 3.26 -1.77 7.72 0.23 -1.26 -0.34 115.26 123.44 1j03 n ASN 12 Ca 0.25 -2.81 -0.06 0.00 -0.53 0.00 0.00 54.58 51.43 1j03 n ASN 12 Cb 0.64 -0.43 0.03 0.00 -2.08 0.00 0.00 39.78 37.93 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 -0.56 0.23 0.02 4.83 0.00 -1.26 -3.62 105.19 104.83 1j03 n GLY 13 Ca 0.17 -0.30 0.07 0.00 0.00 0.00 0.00 46.02 45.96 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 -2.39 0.22 -2.24 2.61 5.66 -1.26 -1.12 114.28 115.76 1j03 n THR 14 Ca -0.07 -0.51 0.00 0.00 -3.05 0.00 0.00 64.05 60.41 1j03 n THR 14 Cb 0.55 -0.05 0.00 0.00 -1.55 0.00 0.00 70.33 69.28 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 -2.28 0.60 -0.10 1.09 -0.08 -1.26 -5.04 116.55 109.49 1j03 n ASP 15 Ca -0.08 0.00 -0.20 0.00 -1.51 0.00 0.00 54.79 53.00 1j03 n ASP 15 Cb 0.62 0.00 -0.07 0.00 2.34 0.00 0.00 41.12 44.01 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 0.45 -0.04 -0.67 1.02 -1.26 -4.75 120.64 115.39 1j03 n GLU 16 Ca 0.00 0.19 -0.19 0.00 -0.02 0.00 0.00 57.16 57.14 1j03 n GLU 16 Cb 0.00 -1.26 -0.13 0.00 -0.02 0.00 0.00 31.44 30.03 1j03 n GLU 16 CO 0.00 0.00 0.00 0.77 1.18 0.00 0.00 177.13 179.08 1j03 h SER 17 N -0.78 0.18 -0.86 1.62 0.02 -2.02 -3.46 113.55 108.25 1j03 h SER 17 Ca -0.43 -0.83 -0.74 0.00 -0.84 0.00 0.00 61.79 58.94 1j03 h SER 17 Cb 1.33 -0.06 0.01 0.00 0.14 0.00 0.00 62.40 63.83 1j03 h SER 17 CO -0.26 1.36 0.50 0.29 -1.14 0.00 0.00 176.83 177.57 1j03 n LYS 18 N -4.30 0.00 -1.52 3.45 4.01 -1.26 -4.89 118.16 113.66 1j03 n LYS 18 Ca -0.20 0.00 -0.30 0.00 -0.51 0.00 0.00 58.31 57.30 1j03 n LYS 18 Cb 0.70 -1.29 0.20 0.00 -0.51 0.00 0.00 35.03 34.13 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 2.13 -0.06 -0.21 1.97 0.04 -1.26 -4.64 135.00 132.98 1j03 s PRO 19 Ca 0.88 -0.16 -0.03 0.00 0.04 0.00 0.00 61.00 61.73 1j03 s PRO 19 Cb -1.26 -1.74 -0.01 0.00 0.04 0.00 0.00 34.50 31.54 1j03 s PRO 19 CO 0.67 -2.92 -0.06 0.42 0.04 0.00 0.00 177.00 175.15 1j03 s ILE 20 N -3.43 3.28 -0.07 0.56 1.09 -1.26 -4.10 121.20 117.28 1j03 s ILE 20 Ca 0.71 -0.53 0.02 0.00 -1.10 0.00 0.00 60.65 59.75 1j03 s ILE 20 Cb -0.08 -2.47 0.01 0.00 -1.06 0.00 0.00 42.46 38.86 1j03 s ILE 20 CO 0.54 0.44 -0.12 -0.31 -0.10 0.00 0.00 174.94 175.39 1j03 s TYR 21 N 1.30 1.49 0.18 3.97 2.02 0.54 -3.06 117.35 123.80 1j03 s TYR 21 Ca 0.04 -0.57 0.07 0.00 -0.37 0.00 0.00 57.07 56.23 1j03 s TYR 21 Cb -0.14 -1.10 -0.04 0.00 -0.40 0.00 0.00 41.96 40.28 1j03 s TYR 21 CO -0.03 -0.30 0.04 0.08 -1.57 0.00 0.00 175.55 173.77 1j03 s VAL 22 N 0.74 3.90 -0.00 0.71 1.01 0.18 -3.27 120.40 123.66 1j03 s VAL 22 Ca -0.13 -1.39 0.03 0.00 0.00 0.00 0.00 61.98 60.49 1j03 s VAL 22 Cb -0.16 -2.98 -0.03 0.00 0.00 0.00 0.00 36.38 33.21 1j03 s VAL 22 CO 0.03 -0.14 -0.08 0.00 0.00 0.00 0.00 175.10 174.90 1j03 s ALA 23 N -1.80 2.94 -0.22 5.51 0.00 -1.22 0.25 121.76 127.22 1j03 s ALA 23 Ca 0.29 -1.02 -0.04 0.00 0.00 0.00 0.00 51.96 51.19 1j03 s ALA 23 Cb -0.09 -1.09 0.11 0.00 0.00 0.00 0.00 23.12 22.06 1j03 s ALA 23 CO 0.20 0.60 0.33 0.42 0.00 0.00 0.00 175.76 177.31 1j03 s ILE 24 N -0.95 -0.51 -1.66 0.00 1.01 0.30 -3.15 121.20 116.23 1j03 s ILE 24 Ca 0.16 -0.03 0.00 0.00 0.00 0.00 0.00 60.65 60.78 1j03 s ILE 24 Cb -0.11 -0.73 0.00 0.00 0.01 0.00 0.00 42.46 41.63 1j03 s ILE 24 CO 0.06 -0.11 0.00 0.29 0.00 0.00 0.00 174.94 175.18 1j03 n LYS 25 N 5.35 -1.58 -0.10 2.79 5.02 -1.26 0.00 118.16 128.39 1j03 n LYS 25 Ca -0.05 1.05 0.00 0.00 -2.02 0.00 0.00 58.31 57.29 1j03 n LYS 25 Cb 0.50 -5.46 0.00 0.00 -0.02 0.00 0.00 35.03 30.05 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 -0.07 0.94 3.35 0.72 0.00 -1.26 -4.66 105.19 104.21 1j03 n GLY 26 Ca -0.16 -0.07 -0.33 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.45 3.36 -0.21 1.61 3.52 0.10 0.26 118.95 127.15 1j03 s ARG 27 Ca 0.00 -0.69 -0.23 0.00 -0.13 0.00 0.00 55.73 54.67 1j03 s ARG 27 Cb 0.00 -2.63 -0.02 0.00 -1.56 0.00 0.00 34.95 30.74 1j03 s ARG 27 CO 0.00 0.18 0.75 0.08 -0.81 0.00 0.00 175.30 175.50 1j03 s VAL 28 N 0.43 4.92 0.11 7.11 1.01 0.47 0.11 120.40 134.55 1j03 s VAL 28 Ca -0.10 1.43 0.09 0.00 0.00 0.00 0.00 61.98 63.40 1j03 s VAL 28 Cb -0.16 -4.05 -0.04 0.00 0.00 0.00 0.00 36.38 32.13 1j03 s VAL 28 CO 0.05 0.02 -0.19 -0.36 0.00 0.00 0.00 175.10 174.62 1j03 s PHE 29 N 2.32 2.51 -0.20 5.22 0.08 0.69 -3.48 117.98 125.12 1j03 s PHE 29 Ca 0.33 -0.28 -0.14 0.00 0.12 0.00 0.00 56.93 56.96 1j03 s PHE 29 Cb -0.16 -1.34 -0.04 0.00 -0.57 0.00 0.00 43.02 40.91 1j03 s PHE 29 CO 0.10 0.37 0.31 0.34 -0.10 0.00 0.00 175.22 176.24 1j03 s ASP 30 N -2.09 6.35 0.00 1.36 -1.08 0.84 0.47 116.67 122.52 1j03 s ASP 30 Ca 0.17 0.40 0.00 0.00 -0.52 0.00 0.00 52.55 52.60 1j03 s ASP 30 Cb -0.10 -2.19 0.00 0.00 -1.46 0.00 0.00 42.92 39.17 1j03 s ASP 30 CO 0.09 -0.00 0.51 1.33 0.52 0.00 0.00 175.17 177.62 1j03 n VAL 31 N 4.17 0.24 -0.01 1.11 0.24 -1.17 -3.57 118.33 119.34 1j03 n VAL 31 Ca -0.11 -0.44 0.23 0.00 -2.04 0.00 0.00 64.34 61.99 1j03 n VAL 31 Cb 0.51 1.11 0.67 0.00 -1.47 0.00 0.00 33.84 34.67 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 0.65 0.27 0.00 3.34 1.03 -1.91 0.51 112.91 116.81 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 0.37 0.47 0.00 0.00 -1.07 0.00 0.00 68.15 67.92 1j03 h THR 32 CO 0.00 0.00 0.09 1.07 -0.01 0.00 0.00 175.52 176.67 1j03 n THR 33 N -3.61 1.44 -2.70 0.00 5.66 -1.26 -1.66 114.28 112.15 1j03 n THR 33 Ca 0.12 0.45 -0.06 0.00 -3.05 0.00 0.00 64.05 61.51 1j03 n THR 33 Cb 0.89 -1.45 0.09 0.00 -1.55 0.00 0.00 70.33 68.30 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 -1.35 1.53 0.40 1.09 0.00 0.18 -4.93 105.19 102.11 1j03 n GLY 34 Ca 0.00 -0.57 0.19 0.00 0.00 0.00 0.00 46.02 45.64 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 2.23 0.00 0.00 1.61 2.10 -1.34 1.28 116.57 122.44 1j03 h LYS 35 Ca -0.24 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.41 1j03 h LYS 35 Cb 1.26 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.59 1j03 h LYS 35 CO 0.11 0.00 0.00 1.03 -2.00 0.00 0.00 179.45 178.59 1j03 h SER 36 N 0.00 0.00 0.00 7.07 0.87 -1.90 4.37 113.55 123.96 1j03 h SER 36 Ca 0.19 0.00 -0.26 0.00 -1.23 0.00 0.00 61.79 60.49 1j03 h SER 36 Cb 1.41 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 63.33 1j03 h SER 36 CO -0.00 0.00 -1.95 0.49 -0.53 0.00 0.00 176.83 174.84 1j03 n PHE 37 N -2.74 0.00 -0.03 2.24 3.72 0.44 -4.23 117.46 116.86 1j03 n PHE 37 Ca -0.02 0.00 -0.18 0.00 -0.05 0.00 0.00 57.45 57.20 1j03 n PHE 37 Cb 0.06 -0.63 -0.14 0.00 -0.94 0.00 0.00 39.48 37.84 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 -3.28 0.89 -0.59 1.38 4.01 -0.98 0.35 117.16 118.93 1j03 n TYR 38 Ca -0.31 0.21 -0.17 0.00 -0.16 0.00 0.00 57.90 57.47 1j03 n TYR 38 Cb 0.78 -1.12 0.12 0.00 -0.31 0.00 0.00 39.34 38.81 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 1.98 -2.29 3.28 2.72 0.00 1.43 -4.39 105.19 107.93 1j03 n GLY 39 Ca -0.33 -0.66 -0.46 0.00 0.00 0.00 0.00 46.02 44.57 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 -0.39 -1.21 -3.31 1.61 2.88 -0.27 -2.04 113.62 110.89 1j03 n SER 40 Ca 0.04 1.09 -0.18 0.00 -1.33 0.00 0.00 58.87 58.49 1j03 n SER 40 Cb 0.34 -0.92 0.00 0.00 -0.75 0.00 0.00 64.21 62.88 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 1.93 -0.78 3.42 0.46 0.00 -1.26 -4.94 105.19 104.03 1j03 n GLY 41 Ca 0.17 0.45 -0.22 0.00 0.00 0.00 0.00 46.02 46.43 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 -2.48 2.28 0.24 -0.02 0.00 -0.87 -4.95 107.32 101.53 1j03 s GLY 42 Ca 0.03 -1.61 -0.11 0.00 0.00 0.00 0.00 44.72 43.03 1j03 s GLY 42 CO 0.61 -1.72 1.59 -0.55 0.00 0.00 0.00 173.10 173.03 1j03 h ASP 43 N 2.03 -0.81 -2.35 1.64 5.19 0.59 -0.32 116.42 122.39 1j03 h ASP 43 Ca -0.35 0.25 -0.78 0.00 -0.62 0.00 0.00 57.03 55.52 1j03 h ASP 43 Cb 1.26 0.52 -0.29 0.00 0.18 0.00 0.00 39.33 41.00 1j03 h ASP 43 CO 0.57 -0.28 0.80 -1.22 -3.12 0.00 0.00 179.24 175.98 1j03 n TYR 44 N -5.53 2.84 0.08 4.55 4.01 0.58 -4.69 117.16 118.99 1j03 n TYR 44 Ca 0.12 -2.74 -0.08 0.00 -0.16 0.00 0.00 57.90 55.04 1j03 n TYR 44 Cb 0.42 -1.12 0.03 0.00 -0.31 0.00 0.00 39.34 38.36 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 4.27 0.29 0.92 7.72 0.87 -1.20 -0.88 113.55 125.54 1j03 h SER 45 Ca 0.44 -0.21 -0.22 0.00 -1.23 0.00 0.00 61.79 60.57 1j03 h SER 45 Cb 0.39 -0.09 -0.03 0.00 -0.44 0.00 0.00 62.40 62.23 1j03 h SER 45 CO 1.16 0.96 -1.09 0.00 -0.53 0.00 0.00 176.83 177.33 1j03 h MET 46 N 0.15 0.02 0.03 2.24 -0.00 -1.84 -3.28 114.93 112.24 1j03 h MET 46 Ca -0.03 -0.03 -0.22 0.00 -0.00 0.00 0.00 59.70 59.42 1j03 h MET 46 Cb 1.37 0.01 -0.01 0.00 -0.00 0.00 0.00 31.60 32.96 1j03 h MET 46 CO 0.12 0.96 -0.99 0.74 -0.00 0.00 0.00 176.91 177.74 1j03 h PHE 47 N 0.00 0.29 -1.98 -0.10 0.04 -1.82 -3.41 116.94 109.97 1j03 h PHE 47 Ca -0.05 -0.18 -0.63 0.00 2.80 0.00 0.00 57.97 59.91 1j03 h PHE 47 Cb 1.81 -0.02 0.03 0.00 2.20 0.00 0.00 35.95 39.97 1j03 h PHE 47 CO 0.00 1.05 0.94 0.00 -0.60 0.00 0.00 178.31 179.71 1j03 n ALA 48 N -2.46 0.66 -2.77 2.45 0.00 -0.34 0.11 120.51 118.17 1j03 n ALA 48 Ca -0.04 0.36 -0.21 0.00 0.00 0.00 0.00 53.44 53.55 1j03 n ALA 48 Cb 0.89 -2.38 0.02 0.00 0.00 0.00 0.00 19.45 17.97 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 3.98 -0.46 3.51 0.00 0.00 -1.20 -4.69 105.19 106.33 1j03 n GLY 49 Ca 0.22 0.04 -0.16 0.00 0.00 0.00 0.00 46.02 46.12 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 -5.42 1.02 -0.50 1.61 1.02 0.12 -4.31 119.74 113.28 1j03 s LYS 50 Ca 0.19 0.10 -0.23 0.00 0.02 0.00 0.00 55.97 56.06 1j03 s LYS 50 Cb -0.08 0.48 0.04 0.00 -0.52 0.00 0.00 37.83 37.74 1j03 s LYS 50 CO 0.23 -0.35 0.81 0.34 -0.92 0.00 0.00 175.35 175.46 1j03 s ASP 51 N -1.48 6.34 -1.01 2.83 -1.08 -1.26 -3.39 116.67 117.63 1j03 s ASP 51 Ca -0.07 -0.38 -0.01 0.00 -0.52 0.00 0.00 52.55 51.57 1j03 s ASP 51 Cb -0.00 -2.38 0.32 0.00 -1.46 0.00 0.00 42.92 39.40 1j03 s ASP 51 CO 0.04 -1.02 1.79 0.00 0.52 0.00 0.00 175.17 176.50 1j03 n ALA 52 N 6.87 6.02 0.02 3.66 0.00 -1.19 0.11 120.51 135.99 1j03 n ALA 52 Ca 0.00 -4.61 -0.10 0.00 0.00 0.00 0.00 53.44 48.73 1j03 n ALA 52 Cb 0.47 -2.12 -0.08 0.00 0.00 0.00 0.00 19.45 17.72 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 4.15 -0.12 -0.03 0.00 0.02 -1.78 -1.26 113.55 114.53 1j03 h SER 53 Ca 0.52 -0.44 -0.00 0.00 -0.84 0.00 0.00 61.79 61.03 1j03 h SER 53 Cb 0.33 0.03 -0.00 0.00 0.14 0.00 0.00 62.40 62.90 1j03 h SER 53 CO 1.16 0.51 0.02 0.03 -1.14 0.00 0.00 176.83 177.41 1j03 h ARG 54 N -0.89 0.04 -0.46 3.45 3.08 -1.84 0.68 114.38 118.45 1j03 h ARG 54 Ca -0.01 -0.00 0.02 0.00 0.07 0.00 0.00 59.98 60.05 1j03 h ARG 54 Cb 0.55 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.57 1j03 h ARG 54 CO 0.02 0.10 0.30 0.00 -1.07 0.00 0.00 179.97 179.32 1j03 h ALA 55 N 0.94 1.74 -0.13 0.04 0.00 -1.76 -0.27 119.26 119.83 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 0.07 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 17.70 1j03 h ALA 55 CO -0.00 0.21 -0.54 -0.07 0.00 0.00 0.00 179.25 178.85 1j03 h LEU 56 N 0.55 0.70 0.00 0.00 3.38 -0.52 0.27 115.31 119.69 1j03 h LEU 56 Ca 0.18 -0.63 0.00 0.00 0.09 0.00 0.00 57.88 57.52 1j03 h LEU 56 Cb 0.03 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.58 1j03 h LEU 56 CO -0.04 1.21 0.00 0.61 0.09 0.00 0.00 178.44 180.31 1j03 n GLY 57 N 0.66 -2.71 0.33 0.83 0.00 0.23 -2.85 105.19 101.68 1j03 n GLY 57 Ca -0.08 0.00 0.21 0.00 0.00 0.00 0.00 46.02 46.16 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 -4.42 1.61 6.56 -1.25 -3.41 116.57 115.66 1j03 h LYS 58 Ca 0.00 0.00 -0.19 0.00 -1.06 0.00 0.00 60.65 59.40 1j03 h LYS 58 Cb 0.00 0.00 0.12 0.00 -0.57 0.00 0.00 32.23 31.78 1j03 h LYS 58 CO 0.00 0.00 -0.51 -1.33 -2.06 0.00 0.00 179.45 175.55 1j03 n MET 59 N -3.19 -3.05 -0.05 3.15 2.81 0.67 -4.97 117.12 112.48 1j03 n MET 59 Ca -0.03 0.54 -0.08 0.00 -1.81 0.00 0.00 57.70 56.32 1j03 n MET 59 Cb 0.10 -4.48 -0.04 0.00 -0.71 0.00 0.00 33.22 28.09 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 -2.45 2.22 0.00 7.83 2.88 0.40 -4.99 113.62 119.51 1j03 n SER 60 Ca -0.13 0.02 0.00 0.00 -1.33 0.00 0.00 58.87 57.43 1j03 n SER 60 Cb 0.59 -0.21 0.00 0.00 -0.75 0.00 0.00 64.21 63.84 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 -3.06 0.00 -1.69 -1.46 5.02 -1.19 -5.02 118.16 110.77 1j03 n LYS 61 Ca -0.18 0.29 -0.38 0.00 -2.02 0.00 0.00 58.31 56.02 1j03 n LYS 61 Cb 0.67 -2.56 0.05 0.00 -0.02 0.00 0.00 35.03 33.16 1j03 n LYS 61 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1j03 n ASN 62 N 1.17 1.84 0.18 4.39 4.13 -1.26 -4.89 115.26 120.82 1j03 n ASN 62 Ca 0.00 0.91 0.06 0.00 1.68 0.00 0.00 54.58 57.23 1j03 n ASN 62 Cb 0.00 -1.49 0.23 0.00 -1.54 0.00 0.00 39.78 36.98 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 1.03 0.00 0.00 3.52 4.81 -1.96 -3.02 114.58 118.95 1j03 h GLU 63 Ca -0.49 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 58.69 1j03 h GLU 63 Cb 1.33 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.70 1j03 h GLU 63 CO 0.54 0.35 -1.10 0.93 -0.73 0.00 0.00 179.01 179.01 1j03 h GLU 64 N 0.00 0.00 -0.43 1.92 3.07 -2.01 -3.34 114.58 113.80 1j03 h GLU 64 Ca -0.00 0.00 -0.05 0.00 -0.50 0.00 0.00 59.36 58.80 1j03 h GLU 64 Cb 1.07 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.96 1j03 h GLU 64 CO 0.05 0.07 0.06 -0.44 -1.40 0.00 0.00 179.01 177.35 1j03 h ASP 65 N 0.00 0.68 0.00 1.42 5.19 -1.90 -3.43 116.42 118.39 1j03 h ASP 65 Ca -0.04 -0.26 -0.59 0.00 -0.62 0.00 0.00 57.03 55.52 1j03 h ASP 65 Cb 1.15 -0.18 -0.03 0.00 0.18 0.00 0.00 39.33 40.44 1j03 h ASP 65 CO 0.01 0.78 1.06 0.52 -3.12 0.00 0.00 179.24 178.49 1j03 n VAL 66 N -4.48 0.00 -4.04 -1.35 0.31 -1.20 -3.95 118.33 103.62 1j03 n VAL 66 Ca -0.00 0.00 -0.32 0.00 -0.01 0.00 0.00 64.34 64.01 1j03 n VAL 66 Cb 0.24 -0.39 -0.15 0.00 -0.91 0.00 0.00 33.84 32.63 1j03 n VAL 66 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 1j03 s SER 67 N 4.88 4.32 0.00 4.52 0.01 0.30 -4.87 113.70 122.85 1j03 s SER 67 Ca 0.95 -1.37 0.05 0.00 1.31 0.00 0.00 55.95 56.89 1j03 s SER 67 Cb -1.16 -1.46 0.32 0.00 0.21 0.00 0.00 66.02 63.93 1j03 s SER 67 CO 0.51 -0.21 0.98 -0.81 0.41 0.00 0.00 173.24 174.12 1j03 n PRO 68 N 4.48 0.75 -3.70 12.44 -0.04 -1.26 -4.15 135.00 143.52 1j03 n PRO 68 Ca -0.13 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.22 1j03 n PRO 68 Cb 0.42 -1.11 -0.06 0.00 -0.04 0.00 0.00 33.50 32.71 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 -1.41 -0.19 0.00 3.54 0.15 -1.26 -4.30 113.70 110.23 1j03 s SER 69 Ca 0.08 -0.19 -0.06 0.00 0.70 0.00 0.00 55.95 56.49 1j03 s SER 69 Cb 0.04 0.40 -0.26 0.00 -1.71 0.00 0.00 66.02 64.49 1j03 s SER 69 CO 0.06 -0.69 3.56 0.18 1.20 0.00 0.00 173.24 177.55 1j03 n LEU 70 N 0.33 5.23 -3.65 3.45 4.77 -1.26 -4.59 117.00 121.28 1j03 n LEU 70 Ca -0.18 -3.14 -0.33 0.00 -0.03 0.00 0.00 56.01 52.33 1j03 n LEU 70 Cb 0.61 -1.41 -0.05 0.00 -2.33 0.00 0.00 43.42 40.24 1j03 n LEU 70 CO 0.20 1.67 0.44 -0.62 -1.33 0.00 0.00 177.39 177.74 1j03 n GLU 71 N 2.46 3.17 0.00 3.23 1.02 -1.26 -4.44 120.64 124.82 1j03 n GLU 71 Ca 0.41 -4.63 0.00 0.00 -0.02 0.00 0.00 57.16 52.92 1j03 n GLU 71 Cb 0.90 -2.35 0.00 0.00 -0.02 0.00 0.00 31.44 29.97 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 1.07 0.51 3.55 0.62 0.00 -1.26 -5.09 105.19 104.59 1j03 n GLY 72 Ca 0.28 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.92 1j03 n GLY 72 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1j03 s LEU 73 N 0.00 3.32 0.00 0.99 2.01 -1.26 -4.95 118.68 118.79 1j03 s LEU 73 Ca 0.00 0.54 -0.10 0.00 0.01 0.00 0.00 54.13 54.59 1j03 s LEU 73 Cb 0.00 -2.56 0.13 0.00 0.01 0.00 0.00 46.19 43.78 1j03 s LEU 73 CO 0.00 -2.48 0.72 0.35 1.01 0.00 0.00 176.35 175.96 1j03 n THR 74 N 7.40 0.00 -0.14 5.49 -2.24 -1.26 -4.66 114.28 118.87 1j03 n THR 74 Ca 0.24 -0.51 -0.11 0.00 -2.27 0.00 0.00 64.05 61.41 1j03 n THR 74 Cb 0.53 -1.64 -0.01 0.00 -2.10 0.00 0.00 70.33 67.10 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 0.82 -0.17 -0.78 5.08 -1.96 1.27 114.58 118.85 1j03 h GLU 75 Ca -0.24 -0.32 0.05 0.00 -1.00 0.00 0.00 59.36 57.85 1j03 h GLU 75 Cb 0.67 -0.04 -0.06 0.00 0.50 0.00 0.00 28.75 29.82 1j03 h GLU 75 CO 0.17 0.95 -0.20 1.57 -1.00 0.00 0.00 179.01 180.50 1j03 h LYS 76 N 0.65 -0.22 -0.04 2.33 2.10 -1.98 0.77 116.57 120.17 1j03 h LYS 76 Ca 0.10 0.02 -0.22 0.00 -2.00 0.00 0.00 60.65 58.55 1j03 h LYS 76 Cb 0.66 0.05 0.02 0.00 -0.90 0.00 0.00 32.23 32.06 1j03 h LYS 76 CO 0.05 -0.15 -0.84 1.05 -2.00 0.00 0.00 179.45 177.55 1j03 h GLU 77 N -0.23 0.65 -0.50 0.07 9.09 -1.80 -3.24 114.58 118.62 1j03 h GLU 77 Ca 0.11 -0.64 0.09 0.00 0.05 0.00 0.00 59.36 58.97 1j03 h GLU 77 Cb 0.40 0.17 -0.07 0.00 -1.65 0.00 0.00 28.75 27.60 1j03 h GLU 77 CO -0.31 1.24 0.06 0.82 0.05 0.00 0.00 179.01 180.87 1j03 h ILE 78 N 0.30 0.68 -0.44 -1.06 1.08 0.21 7.41 117.51 125.68 1j03 h ILE 78 Ca -0.09 -0.06 0.09 0.00 -0.39 0.00 0.00 64.86 64.40 1j03 h ILE 78 Cb 1.50 0.47 -0.10 0.00 -3.07 0.00 0.00 36.82 35.63 1j03 h ILE 78 CO 0.17 0.03 -0.30 0.78 -0.69 0.00 0.00 178.15 178.14 1j03 h ASN 79 N 0.19 -1.02 0.08 1.72 2.35 0.52 3.42 115.58 122.85 1j03 h ASN 79 Ca 0.25 0.19 -0.12 0.00 -0.55 0.00 0.00 56.30 56.08 1j03 h ASN 79 Cb 0.36 0.49 0.01 0.00 0.05 0.00 0.00 38.32 39.23 1j03 h ASN 79 CO -0.36 -0.30 -0.53 0.74 -1.65 0.00 0.00 177.43 175.33 1j03 h THR 80 N -0.21 1.60 0.49 2.81 2.02 -1.25 -2.76 112.91 115.61 1j03 h THR 80 Ca 0.19 -2.46 -0.01 0.00 0.77 0.00 0.00 66.41 64.90 1j03 h THR 80 Cb 0.52 3.25 -0.02 0.00 -1.74 0.00 0.00 68.15 70.17 1j03 h THR 80 CO -0.56 0.67 -0.41 0.25 0.37 0.00 0.00 175.52 175.84 1j03 h LEU 81 N -0.62 -1.10 -0.80 2.58 7.12 1.59 2.59 115.31 126.67 1j03 h LEU 81 Ca -0.10 0.08 0.15 0.00 0.13 0.00 0.00 57.88 58.15 1j03 h LEU 81 Cb 1.40 0.35 -0.10 0.00 -0.53 0.00 0.00 40.66 41.78 1j03 h LEU 81 CO 0.09 -0.59 0.36 -1.13 -0.13 0.00 0.00 178.44 177.04 1j03 h ASN 82 N -0.90 0.38 0.55 1.25 -0.73 0.63 0.58 115.58 117.34 1j03 h ASN 82 Ca -0.05 0.11 -0.12 0.00 1.87 0.00 0.00 56.30 58.10 1j03 h ASN 82 Cb 0.77 0.06 -0.02 0.00 0.27 0.00 0.00 38.32 39.40 1j03 h ASN 82 CO -0.02 0.14 -0.58 0.44 -0.37 0.00 0.00 177.43 177.05 1j03 h ASP 83 N 0.51 0.04 -0.73 1.15 5.19 -1.06 -2.79 116.42 118.72 1j03 h ASP 83 Ca 0.44 -0.02 -0.01 0.00 -0.62 0.00 0.00 57.03 56.83 1j03 h ASP 83 Cb 0.67 -0.01 -0.03 0.00 0.18 0.00 0.00 39.33 40.13 1j03 h ASP 83 CO -0.40 0.61 0.43 -0.50 -3.12 0.00 0.00 179.24 176.26 1j03 h TRP 84 N 0.02 0.97 -0.28 4.55 -0.00 0.97 0.20 115.95 122.38 1j03 h TRP 84 Ca -0.01 -0.01 0.01 0.00 -0.00 0.00 0.00 58.89 58.88 1j03 h TRP 84 Cb 1.03 -0.32 -0.02 0.00 -0.00 0.00 0.00 29.16 29.86 1j03 h TRP 84 CO 0.00 0.66 0.18 1.49 -0.00 0.00 0.00 178.44 180.77 1j03 h GLU 85 N 1.00 0.35 -0.40 0.49 4.22 -0.62 1.18 114.58 120.80 1j03 h GLU 85 Ca 0.26 -0.02 -0.05 0.00 0.08 0.00 0.00 59.36 59.63 1j03 h GLU 85 Cb -0.02 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.14 1j03 h GLU 85 CO -0.05 0.23 0.04 1.15 -2.18 0.00 0.00 179.01 178.20 1j03 h THR 86 N 0.36 1.21 -0.07 0.32 2.02 -1.25 1.61 112.91 117.11 1j03 h THR 86 Ca 0.11 -0.79 -0.14 0.00 0.77 0.00 0.00 66.41 66.35 1j03 h THR 86 Cb -0.03 0.86 0.01 0.00 -1.74 0.00 0.00 68.15 67.26 1j03 h THR 86 CO -0.03 0.28 -0.51 0.11 0.37 0.00 0.00 175.52 175.74 1j03 h LYS 87 N 0.59 0.47 -0.21 6.66 1.57 0.09 0.16 116.57 125.91 1j03 h LYS 87 Ca 0.13 -0.41 -0.12 0.00 -1.87 0.00 0.00 60.65 58.37 1j03 h LYS 87 Cb 0.32 0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.72 1j03 h LYS 87 CO 0.01 1.05 -0.36 0.74 -0.57 0.00 0.00 179.45 180.32 1j03 h PHE 88 N 0.03 0.76 0.00 -1.35 -1.00 0.17 -1.19 116.94 114.37 1j03 h PHE 88 Ca -0.04 -0.26 -0.00 0.00 2.81 0.00 0.00 57.97 60.47 1j03 h PHE 88 Cb 1.17 -0.14 -0.00 0.00 3.61 0.00 0.00 35.95 40.58 1j03 h PHE 88 CO 0.12 1.01 -0.01 1.05 -1.61 0.00 0.00 178.31 178.87 1j03 h GLU 89 N 0.29 0.00 0.00 1.51 -0.00 0.23 2.59 114.58 119.20 1j03 h GLU 89 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.37 1j03 h GLU 89 Cb 0.95 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.70 1j03 h GLU 89 CO 0.08 0.01 -0.68 0.00 -0.00 0.00 0.00 179.01 178.42 1j03 h ALA 90 N 1.99 0.56 0.00 1.06 0.00 -0.77 -3.42 119.26 118.68 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 0.60 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1j03 h ALA 90 CO 0.00 0.00 -0.04 1.63 0.00 0.00 0.00 179.25 180.84 1j03 n LYS 91 N -2.16 0.02 -2.24 0.00 4.76 -0.46 -5.04 118.16 113.03 1j03 n LYS 91 Ca 0.03 0.01 -0.41 0.00 -2.87 0.00 0.00 58.31 55.07 1j03 n LYS 91 Cb 0.45 -0.21 -0.03 0.00 -1.84 0.00 0.00 35.03 33.40 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 -1.23 3.25 0.17 2.13 2.02 0.86 -4.98 117.35 119.57 1j03 s TYR 92 Ca -0.01 1.46 -0.30 0.00 -0.37 0.00 0.00 57.07 57.85 1j03 s TYR 92 Cb 0.00 -3.55 -0.07 0.00 -0.40 0.00 0.00 41.96 37.94 1j03 s TYR 92 CO 0.02 -1.47 1.12 -1.25 -1.57 0.00 0.00 175.55 172.39 1j03 s PRO 93 N -1.33 4.56 -0.46 -1.71 0.04 -1.23 -4.16 135.00 130.72 1j03 s PRO 93 Ca 0.49 1.74 -0.21 0.00 0.04 0.00 0.00 61.00 63.06 1j03 s PRO 93 Cb -0.37 -3.28 0.03 0.00 0.04 0.00 0.00 34.50 30.92 1j03 s PRO 93 CO 0.46 0.02 0.68 0.08 0.04 0.00 0.00 177.00 178.28 1j03 s VAL 94 N -0.10 4.78 -0.69 -0.36 1.01 -1.26 -0.11 120.40 123.66 1j03 s VAL 94 Ca 0.51 0.08 0.24 0.00 0.00 0.00 0.00 61.98 62.81 1j03 s VAL 94 Cb -0.30 -4.26 0.07 0.00 0.00 0.00 0.00 36.38 31.89 1j03 s VAL 94 CO 0.35 -0.68 1.38 1.33 0.00 0.00 0.00 175.10 177.48 1j03 n VAL 95 N 5.88 0.33 -0.79 2.92 0.24 -1.23 -5.00 118.33 120.68 1j03 n VAL 95 Ca -0.02 -0.24 0.00 0.00 -2.04 0.00 0.00 64.34 62.04 1j03 n VAL 95 Cb 0.48 -0.14 0.00 0.00 -1.47 0.00 0.00 33.84 32.71 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 1.35 -1.93 3.20 7.63 0.00 -1.25 -3.89 105.19 110.31 1j03 n GLY 96 Ca 0.04 -1.15 -0.29 0.00 0.00 0.00 0.00 46.02 44.62 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 -1.80 2.28 0.39 1.61 3.03 -1.26 -0.40 118.95 122.80 1j03 s ARG 97 Ca 0.00 -0.76 -0.24 0.00 2.03 0.00 0.00 55.73 56.75 1j03 s ARG 97 Cb 0.00 -1.91 -0.12 0.00 -1.03 0.00 0.00 34.95 31.89 1j03 s ARG 97 CO 0.00 0.28 0.82 0.28 -1.13 0.00 0.00 175.30 175.56 1j03 n VAL 98 N 3.14 2.13 0.00 4.99 0.31 0.72 -2.64 118.33 126.98 1j03 n VAL 98 Ca -0.18 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.65 1j03 n VAL 98 Cb 0.52 -0.85 0.00 0.00 -0.91 0.00 0.00 33.84 32.60 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 -0.49 0.00 0.46 2.52 0.24 -0.96 -4.72 118.33 115.38 1j03 n VAL 99 Ca 0.11 0.00 0.05 0.00 -2.04 0.00 0.00 64.34 62.46 1j03 n VAL 99 Cb 0.37 0.00 0.05 0.00 -1.47 0.00 0.00 33.84 32.79 1j03 n VAL 99 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49