#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2j03 n ALA 4 N 0.00 1.83 0.25 6.98 0.00 -1.26 -4.75 120.51 123.56 2j03 n ALA 4 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.49 2j03 n ALA 4 Cb 0.00 0.02 -0.07 0.00 0.00 0.00 0.00 19.45 19.41 2j03 n ALA 4 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2j03 n TYR 5 N -1.41 0.00 0.19 0.00 0.53 -1.26 -4.58 117.16 110.62 2j03 n TYR 5 Ca 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.88 2j03 n TYR 5 Cb 0.05 -0.10 0.00 0.00 -1.03 0.00 0.00 39.34 38.25 2j03 n TYR 5 CO 0.00 0.00 0.00 -0.25 -1.02 0.00 0.00 176.86 175.59 2j03 n ASP 6 N -1.51 0.37 -0.07 7.72 8.00 -1.26 -2.51 116.55 127.28 2j03 n ASP 6 Ca 0.00 -0.37 -0.12 0.00 0.71 0.00 0.00 54.79 55.01 2j03 n ASP 6 Cb 0.20 -0.09 -0.04 0.00 -0.02 0.00 0.00 41.12 41.17 2j03 n ASP 6 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 2j03 n VAL 7 N 0.65 1.36 -2.60 2.53 0.31 -1.26 -4.70 118.33 114.61 2j03 n VAL 7 Ca 0.00 0.04 -0.40 0.00 -0.01 0.00 0.00 64.34 63.97 2j03 n VAL 7 Cb 0.07 -2.06 -0.05 0.00 -0.91 0.00 0.00 33.84 30.89 2j03 n VAL 7 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 2j03 s ILE 8 N -2.61 3.86 0.02 2.52 1.09 -1.04 -1.87 121.20 123.17 2j03 s ILE 8 Ca -0.25 1.78 -0.03 0.00 -1.10 0.00 0.00 60.65 61.05 2j03 s ILE 8 Cb 0.06 -4.13 -0.01 0.00 -1.06 0.00 0.00 42.46 37.31 2j03 s ILE 8 CO 0.35 0.39 -0.06 0.18 -0.10 0.00 0.00 174.94 175.69 2j03 n LEU 9 N 1.70 0.91 -3.81 2.97 4.77 0.46 -4.96 117.00 119.03 2j03 n LEU 9 Ca -0.00 0.13 -0.12 0.00 -0.03 0.00 0.00 56.01 55.99 2j03 n LEU 9 Cb 0.46 -0.34 -0.09 0.00 -2.33 0.00 0.00 43.42 41.12 2j03 n LEU 9 CO 0.52 -0.59 -0.06 0.00 -1.33 0.00 0.00 177.39 175.93 2j03 s ALA 10 N -2.25 -0.53 0.48 -1.18 0.00 -1.20 -4.96 121.76 112.12 2j03 s ALA 10 Ca -0.05 -0.03 -0.21 0.00 0.00 0.00 0.00 51.96 51.67 2j03 s ALA 10 Cb 0.01 0.19 -0.09 0.00 0.00 0.00 0.00 23.12 23.23 2j03 s ALA 10 CO 0.08 -0.31 1.04 -2.14 0.00 0.00 0.00 175.76 174.43 2j03 s PRO 11 N -1.94 3.83 0.21 0.00 0.02 -1.26 -0.16 135.00 135.71 2j03 s PRO 11 Ca -0.10 1.38 -0.10 0.00 0.02 0.00 0.00 61.00 62.20 2j03 s PRO 11 Cb -0.04 -2.13 -0.07 0.00 0.02 0.00 0.00 34.50 32.28 2j03 s PRO 11 CO -0.00 -0.41 0.54 0.54 -0.33 0.00 0.00 177.00 177.34 2j03 s VAL 12 N -1.95 4.93 -0.37 3.83 0.11 -0.85 -4.75 120.40 121.35 2j03 s VAL 12 Ca 0.66 0.51 0.01 0.00 -2.93 0.00 0.00 61.98 60.23 2j03 s VAL 12 Cb -0.17 -3.63 0.12 0.00 -1.53 0.00 0.00 36.38 31.17 2j03 s VAL 12 CO 0.21 -0.02 0.18 -0.76 -3.33 0.00 0.00 175.10 171.37 2j03 s LEU 13 N -2.69 2.19 0.04 2.54 1.43 -1.26 -4.81 118.68 116.11 2j03 s LEU 13 Ca 0.46 -2.16 -0.09 0.00 -1.03 0.00 0.00 54.13 51.31 2j03 s LEU 13 Cb -0.12 -0.85 0.00 0.00 0.03 0.00 0.00 46.19 45.25 2j03 s LEU 13 CO 0.21 -0.33 0.18 -0.94 0.23 0.00 0.00 176.35 175.69 2j03 s SER 14 N 0.97 0.06 0.19 2.29 1.04 -1.26 -4.96 113.70 112.04 2j03 s SER 14 Ca 0.15 -0.40 -0.24 0.00 0.48 0.00 0.00 55.95 55.94 2j03 s SER 14 Cb -0.21 0.28 0.09 0.00 0.10 0.00 0.00 66.02 66.27 2j03 s SER 14 CO -0.10 -0.55 1.55 -0.33 0.98 0.00 0.00 173.24 174.80 2j03 h GLU 15 N 3.50 -0.07 -1.00 4.02 3.07 -1.99 1.47 114.58 123.57 2j03 h GLU 15 Ca -0.32 0.00 0.20 0.00 -0.50 0.00 0.00 59.36 58.75 2j03 h GLU 15 Cb 1.19 0.02 -0.11 0.00 -0.84 0.00 0.00 28.75 29.01 2j03 h GLU 15 CO 0.49 -0.05 0.61 -0.22 -1.40 0.00 0.00 179.01 178.44 2j03 h LYS 16 N -0.08 0.70 0.67 2.33 3.64 -1.99 0.28 116.57 122.12 2j03 h LYS 16 Ca 0.24 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.55 2j03 h LYS 16 Cb 0.53 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.19 2j03 h LYS 16 CO -0.88 0.46 -0.45 0.00 -2.27 0.00 0.00 179.45 176.31 2j03 h ALA 17 N 1.66 -1.22 -0.35 5.00 0.00 0.16 -2.97 119.26 121.55 2j03 h ALA 17 Ca 0.59 -0.22 0.01 0.00 0.00 0.00 0.00 54.91 55.30 2j03 h ALA 17 Cb 0.98 0.60 -0.02 0.00 0.00 0.00 0.00 17.79 19.34 2j03 h ALA 17 CO -0.40 -1.19 0.21 1.88 0.00 0.00 0.00 179.25 179.75 2j03 h TYR 18 N -1.06 0.39 -1.20 0.00 0.05 0.02 -1.91 116.97 113.26 2j03 h TYR 18 Ca -0.09 0.01 0.42 0.00 0.05 0.00 0.00 58.73 59.13 2j03 h TYR 18 Cb 0.87 -0.13 -0.15 0.00 1.01 0.00 0.00 36.73 38.33 2j03 h TYR 18 CO -0.12 0.23 0.73 0.00 -1.05 0.00 0.00 178.16 177.95 2j03 h ALA 19 N 1.15 2.48 -0.75 3.88 0.00 -0.43 0.41 119.26 126.00 2j03 h ALA 19 Ca 0.13 0.18 0.07 0.00 0.00 0.00 0.00 54.91 55.29 2j03 h ALA 19 Cb -0.01 0.25 -0.06 0.00 0.00 0.00 0.00 17.79 17.97 2j03 h ALA 19 CO -0.06 -1.17 0.43 0.78 0.00 0.00 0.00 179.25 179.23 2j03 h GLY 20 N 0.08 1.13 -0.92 0.00 0.00 -1.18 -2.93 103.07 99.24 2j03 h GLY 20 Ca 0.83 -0.30 0.38 0.00 0.00 0.00 0.00 47.33 48.24 2j03 h GLY 20 CO -0.56 0.16 0.46 0.69 0.00 0.00 0.00 176.54 177.29 2j03 n PHE 21 N -4.75 1.04 -0.17 5.60 3.01 0.14 -1.52 117.46 120.81 2j03 n PHE 21 Ca 0.11 1.09 -0.03 0.00 1.01 0.00 0.00 57.45 59.63 2j03 n PHE 21 Cb 0.21 -1.47 -0.02 0.00 -0.01 0.00 0.00 39.48 38.19 2j03 n PHE 21 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2j03 n ALA 22 N -2.39 -0.18 -2.00 4.37 0.00 -1.11 -4.54 120.51 114.66 2j03 n ALA 22 Ca 0.34 0.39 0.00 0.00 0.00 0.00 0.00 53.44 54.17 2j03 n ALA 22 Cb 1.15 -0.12 0.00 0.00 0.00 0.00 0.00 19.45 20.48 2j03 n ALA 22 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2j03 n GLU 23 N -4.57 0.00 -1.69 0.00 4.07 -0.57 -5.04 120.64 112.83 2j03 n GLU 23 Ca 0.02 0.00 -0.51 0.00 -0.06 0.00 0.00 57.16 56.61 2j03 n GLU 23 Cb 0.14 0.00 -0.06 0.00 -0.06 0.00 0.00 31.44 31.46 2j03 n GLU 23 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2j03 n GLY 24 N 2.38 1.26 2.30 8.31 0.00 -1.25 -4.87 105.19 113.32 2j03 n GLY 24 Ca 0.00 0.89 -0.02 0.00 0.00 0.00 0.00 46.02 46.89 2j03 n GLY 24 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2j03 n LYS 25 N 6.34 1.48 -3.02 1.61 3.00 -1.04 -4.11 118.16 122.41 2j03 n LYS 25 Ca 0.24 -0.10 -0.20 0.00 -0.00 0.00 0.00 58.31 58.26 2j03 n LYS 25 Cb 0.24 -0.89 0.06 0.00 0.00 0.00 0.00 35.03 34.45 2j03 n LYS 25 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.40 178.92 2j03 s TYR 26 N -1.67 1.36 0.21 5.64 1.13 -1.26 -4.59 117.35 118.16 2j03 s TYR 26 Ca 0.05 -0.72 0.05 0.00 -1.41 0.00 0.00 57.07 55.03 2j03 s TYR 26 Cb -0.01 -2.23 -0.03 0.00 -1.10 0.00 0.00 41.96 38.59 2j03 s TYR 26 CO 0.04 -1.20 0.27 -0.08 -2.51 0.00 0.00 175.55 172.07 2j03 s THR 27 N -2.69 4.98 0.13 -3.49 -1.32 -1.26 -3.39 115.64 108.59 2j03 s THR 27 Ca 0.62 -1.02 0.07 0.00 -1.21 0.00 0.00 61.69 60.16 2j03 s THR 27 Cb -0.06 -3.64 -0.04 0.00 -1.51 0.00 0.00 72.50 67.26 2j03 s THR 27 CO 0.39 -0.24 -0.17 -0.36 -2.21 0.00 0.00 174.62 172.04 2j03 s PHE 28 N -1.92 1.58 -0.10 9.09 0.40 -1.26 -2.01 117.98 123.77 2j03 s PHE 28 Ca 0.33 -0.50 -0.30 0.00 -0.60 0.00 0.00 56.93 55.87 2j03 s PHE 28 Cb -0.09 -0.83 -0.04 0.00 0.51 0.00 0.00 43.02 42.57 2j03 s PHE 28 CO 0.27 0.21 1.48 -1.58 0.70 0.00 0.00 175.22 176.30 2j03 s TRP 29 N -1.86 2.38 0.00 0.36 0.52 0.78 -2.88 118.94 118.23 2j03 s TRP 29 Ca 0.10 0.56 0.00 0.00 0.02 0.00 0.00 56.10 56.77 2j03 s TRP 29 Cb -0.06 -3.73 0.00 0.00 -1.15 0.00 0.00 33.47 28.52 2j03 s TRP 29 CO 0.04 -2.90 0.00 0.28 0.02 0.00 0.00 176.95 174.39 2j03 n VAL 30 N 5.39 0.00 -3.11 4.03 0.31 -1.09 -0.40 118.33 123.46 2j03 n VAL 30 Ca 0.16 0.00 -0.39 0.00 -0.01 0.00 0.00 64.34 64.09 2j03 n VAL 30 Cb 0.44 -1.09 -0.05 0.00 -0.91 0.00 0.00 33.84 32.23 2j03 n VAL 30 CO 0.00 0.00 0.00 -2.28 -1.32 0.00 0.00 176.83 173.23 2j03 s HIS 31 N 1.18 3.61 0.00 3.52 2.46 -0.78 -4.46 115.29 120.81 2j03 s HIS 31 Ca 0.00 1.21 -0.01 0.00 0.47 0.00 0.00 55.06 56.74 2j03 s HIS 31 Cb 0.00 -2.73 -0.00 0.00 -0.13 0.00 0.00 32.58 29.72 2j03 s HIS 31 CO 0.00 0.17 0.82 -0.35 -2.47 0.00 0.00 174.74 172.91 2j03 n PRO 32 N 3.44 -0.01 -0.39 2.88 -0.04 -1.26 -3.52 135.00 136.10 2j03 n PRO 32 Ca -0.03 0.82 0.00 0.00 -0.04 0.00 0.00 63.50 64.24 2j03 n PRO 32 Cb 0.51 -1.22 0.00 0.00 -0.04 0.00 0.00 33.50 32.75 2j03 n PRO 32 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 2j03 n LYS 33 N -2.85 1.28 -0.31 0.54 0.00 -1.26 -3.94 118.16 111.62 2j03 n LYS 33 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 2j03 n LYS 33 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.03 2j03 n LYS 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2j03 n ALA 34 N -3.00 0.00 0.21 0.58 0.00 -1.26 -4.58 120.51 112.45 2j03 n ALA 34 Ca 0.00 0.00 0.18 0.00 0.00 0.00 0.00 53.44 53.62 2j03 n ALA 34 Cb 0.00 -0.55 0.79 0.00 0.00 0.00 0.00 19.45 19.69 2j03 n ALA 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2j03 h THR 35 N 0.00 0.23 0.00 0.00 1.03 -1.68 -3.46 112.91 109.03 2j03 h THR 35 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.40 2j03 h THR 35 Cb 0.14 0.68 0.00 0.00 -1.07 0.00 0.00 68.15 67.90 2j03 h THR 35 CO 0.00 0.00 0.00 2.29 -0.01 0.00 0.00 175.52 177.80 2j03 n LYS 36 N -3.38 0.00 0.23 0.00 -0.00 -1.26 -4.40 118.16 109.35 2j03 n LYS 36 Ca 0.03 0.00 0.03 0.00 -0.00 0.00 0.00 58.31 58.37 2j03 n LYS 36 Cb 0.48 0.00 0.18 0.00 -0.00 0.00 0.00 35.03 35.70 2j03 n LYS 36 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.40 178.55 2j03 h THR 37 N 0.00 0.00 0.00 0.58 2.02 -1.97 0.24 112.91 113.77 2j03 h THR 37 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 2j03 h THR 37 Cb 0.00 0.15 0.00 0.00 -1.74 0.00 0.00 68.15 66.56 2j03 h THR 37 CO 0.00 0.00 0.00 -0.62 0.37 0.00 0.00 175.52 175.27 2j03 n GLU 38 N -2.15 0.60 -0.31 6.66 -0.58 -1.26 -3.56 120.64 120.04 2j03 n GLU 38 Ca -0.00 0.00 0.01 0.00 -0.42 0.00 0.00 57.16 56.74 2j03 n GLU 38 Cb 0.67 -1.24 0.12 0.00 -0.57 0.00 0.00 31.44 30.42 2j03 n GLU 38 CO 0.00 0.00 0.00 0.44 -0.48 0.00 0.00 177.13 177.09 2j03 n ILE 39 N 0.50 1.03 -0.03 -3.67 -5.35 0.83 -3.90 119.36 108.76 2j03 n ILE 39 Ca 0.00 -0.48 -0.00 0.00 -0.27 0.00 0.00 62.75 61.99 2j03 n ILE 39 Cb 0.24 -0.49 -0.00 0.00 -1.74 0.00 0.00 39.64 37.65 2j03 n ILE 39 CO 0.00 0.00 0.00 0.07 -1.76 0.00 0.00 176.55 174.86 2j03 h LYS 40 N 1.15 0.00 -2.67 6.28 5.09 -1.84 -2.71 116.57 121.86 2j03 h LYS 40 Ca 0.03 0.00 -0.13 0.00 0.09 0.00 0.00 60.65 60.64 2j03 h LYS 40 Cb 1.08 0.00 -0.03 0.00 0.10 0.00 0.00 32.23 33.39 2j03 h LYS 40 CO 0.19 0.00 0.44 0.27 -2.09 0.00 0.00 179.45 178.26 2j03 n ASN 41 N -3.54 2.83 0.00 7.07 0.23 -1.25 -1.05 115.26 119.54 2j03 n ASN 41 Ca -0.01 -2.03 0.00 0.00 -0.53 0.00 0.00 54.58 52.02 2j03 n ASN 41 Cb 0.02 -0.74 0.00 0.00 -2.08 0.00 0.00 39.78 36.98 2j03 n ASN 41 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2j03 n ALA 42 N 3.00 2.58 0.01 -2.53 0.00 -1.21 -4.80 120.51 117.56 2j03 n ALA 42 Ca 0.24 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.62 2j03 n ALA 42 Cb 0.40 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.73 2j03 n ALA 42 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 2j03 h VAL 43 N 0.00 0.96 -0.00 0.00 3.04 -0.76 -3.30 116.25 116.20 2j03 h VAL 43 Ca 0.00 -2.69 0.00 0.00 -1.01 0.00 0.00 66.70 63.00 2j03 h VAL 43 Cb 0.00 2.44 0.00 0.00 -2.01 0.00 0.00 31.29 31.72 2j03 h VAL 43 CO 0.00 0.55 -0.00 -1.84 -1.01 0.00 0.00 177.57 175.27 2j03 n GLU 44 N -3.09 0.92 -0.11 4.17 0.28 -0.88 -1.14 120.64 120.79 2j03 n GLU 44 Ca -0.11 -0.01 0.07 0.00 -0.16 0.00 0.00 57.16 56.96 2j03 n GLU 44 Cb 0.97 -1.50 0.13 0.00 1.43 0.00 0.00 31.44 32.47 2j03 n GLU 44 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 2j03 n THR 45 N -1.03 0.46 0.00 3.84 -2.24 -1.24 -3.32 114.28 110.74 2j03 n THR 45 Ca 0.22 -0.73 0.00 0.00 -2.27 0.00 0.00 64.05 61.28 2j03 n THR 45 Cb 0.13 0.94 0.00 0.00 -2.10 0.00 0.00 70.33 69.31 2j03 n THR 45 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2j03 n ALA 46 N 0.85 1.97 -0.31 6.98 0.00 -0.83 -4.71 120.51 124.47 2j03 n ALA 46 Ca 0.12 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.61 2j03 n ALA 46 Cb 0.43 0.38 0.14 0.00 0.00 0.00 0.00 19.45 20.39 2j03 n ALA 46 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2j03 n PHE 47 N -2.23 0.42 -3.20 0.00 3.01 -0.29 -5.05 117.46 110.12 2j03 n PHE 47 Ca 0.00 -0.58 -0.22 0.00 1.01 0.00 0.00 57.45 57.66 2j03 n PHE 47 Cb 0.46 -0.08 0.02 0.00 -0.01 0.00 0.00 39.48 39.87 2j03 n PHE 47 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 2j03 n LYS 48 N 0.06 -1.14 -2.17 -1.08 5.02 -1.21 -4.99 118.16 112.66 2j03 n LYS 48 Ca 0.11 1.06 -0.04 0.00 -2.02 0.00 0.00 58.31 57.42 2j03 n LYS 48 Cb 0.47 -1.45 0.01 0.00 -0.02 0.00 0.00 35.03 34.04 2j03 n LYS 48 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 2j03 n VAL 49 N 0.42 0.00 -3.92 -0.18 0.24 -1.21 -5.04 118.33 108.64 2j03 n VAL 49 Ca -0.05 -0.44 -0.35 0.00 -2.04 0.00 0.00 64.34 61.46 2j03 n VAL 49 Cb 0.57 0.40 -0.14 0.00 -1.47 0.00 0.00 33.84 33.20 2j03 n VAL 49 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 2j03 s LYS 50 N -2.07 2.97 -0.23 7.34 2.20 -1.26 -4.68 119.74 124.02 2j03 s LYS 50 Ca 0.07 -0.90 -0.13 0.00 -0.36 0.00 0.00 55.97 54.65 2j03 s LYS 50 Cb -0.02 -3.05 -0.04 0.00 -1.51 0.00 0.00 37.83 33.20 2j03 s LYS 50 CO 0.05 -0.37 0.29 0.08 -0.36 0.00 0.00 175.35 175.04 2j03 s VAL 51 N 1.38 5.26 -1.86 4.02 1.01 -1.26 0.34 120.40 129.30 2j03 s VAL 51 Ca 0.02 0.46 0.18 0.00 0.00 0.00 0.00 61.98 62.64 2j03 s VAL 51 Cb -0.16 -3.63 0.06 0.00 0.00 0.00 0.00 36.38 32.65 2j03 s VAL 51 CO -0.03 0.28 0.97 0.52 0.00 0.00 0.00 175.10 176.84 2j03 n VAL 52 N 4.43 0.00 -3.60 2.92 0.31 -1.26 -4.82 118.33 116.30 2j03 n VAL 52 Ca -0.11 -0.39 -0.09 0.00 -0.01 0.00 0.00 64.34 63.73 2j03 n VAL 52 Cb 0.51 1.27 -0.06 0.00 -0.91 0.00 0.00 33.84 34.66 2j03 n VAL 52 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 2j03 s LYS 53 N -1.81 0.52 0.04 5.55 2.20 -1.26 -4.98 119.74 120.01 2j03 s LYS 53 Ca 0.17 0.23 0.02 0.00 -0.36 0.00 0.00 55.97 56.03 2j03 s LYS 53 Cb 0.14 0.25 -0.03 0.00 -1.51 0.00 0.00 37.83 36.69 2j03 s LYS 53 CO 0.35 -0.14 -0.06 0.08 -0.36 0.00 0.00 175.35 175.22 2j03 s VAL 54 N -0.77 0.45 0.07 4.02 1.01 -1.26 -0.59 120.40 123.33 2j03 s VAL 54 Ca 0.00 -1.18 -0.01 0.00 0.00 0.00 0.00 61.98 60.79 2j03 s VAL 54 Cb -0.02 -0.71 -0.04 0.00 0.00 0.00 0.00 36.38 35.61 2j03 s VAL 54 CO -0.01 -0.50 -0.01 0.20 0.00 0.00 0.00 175.10 174.78 2j03 s ASN 55 N -1.80 0.50 0.06 3.32 0.01 -1.14 -5.04 114.94 110.85 2j03 s ASN 55 Ca -0.08 -1.05 -0.11 0.00 -0.71 0.00 0.00 52.86 50.91 2j03 s ASN 55 Cb -0.07 0.21 0.01 0.00 0.41 0.00 0.00 41.25 41.81 2j03 s ASN 55 CO -0.01 -0.62 0.24 0.42 -1.51 0.00 0.00 177.10 175.62 2j03 s THR 56 N -3.93 0.11 0.00 1.60 -4.23 -1.26 -4.10 115.64 103.83 2j03 s THR 56 Ca 0.11 -0.89 0.00 0.00 -1.18 0.00 0.00 61.69 59.73 2j03 s THR 56 Cb 0.08 -1.06 0.00 0.00 1.34 0.00 0.00 72.50 72.85 2j03 s THR 56 CO -0.07 -0.49 0.00 0.18 -0.54 0.00 0.00 174.62 173.70 2j03 n LEU 57 N 0.37 0.00 0.00 4.79 4.32 0.06 -4.92 117.00 121.62 2j03 n LEU 57 Ca -0.17 0.00 -0.04 0.00 -0.02 0.00 0.00 56.01 55.78 2j03 n LEU 57 Cb 0.60 0.00 0.01 0.00 -1.62 0.00 0.00 43.42 42.42 2j03 n LEU 57 CO 0.21 0.00 0.27 1.41 -1.22 0.00 0.00 177.39 178.07 2j03 n HIS 58 N 0.00 -1.59 0.00 -1.77 8.25 -1.25 -3.74 115.22 115.12 2j03 n HIS 58 Ca 0.00 -0.88 0.00 0.00 -0.26 0.00 0.00 57.72 56.58 2j03 n HIS 58 Cb 0.00 0.44 0.00 0.00 1.12 0.00 0.00 29.99 31.55 2j03 n HIS 58 CO 0.00 0.00 0.00 1.33 0.64 0.00 0.00 176.34 178.31 2j03 n VAL 59 N -0.27 0.00 -0.94 1.59 0.24 -1.12 -4.86 118.33 112.97 2j03 n VAL 59 Ca -0.04 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.26 2j03 n VAL 59 Cb 0.29 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.66 2j03 n VAL 59 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 2j03 n ARG 60 N 0.00 0.00 0.00 7.34 5.12 -1.26 -4.68 116.66 123.18 2j03 n ARG 60 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 2j03 n ARG 60 Cb 0.00 -0.31 0.00 0.00 -1.16 0.00 0.00 32.46 30.99 2j03 n ARG 60 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2j03 n GLY 61 N 1.14 1.30 3.91 -0.13 0.00 -1.26 -4.79 105.19 105.35 2j03 n GLY 61 Ca 0.00 -1.92 -0.23 0.00 0.00 0.00 0.00 46.02 43.87 2j03 n GLY 61 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2j03 s LYS 62 N 2.35 2.37 -0.18 1.61 1.02 -1.26 0.64 119.74 126.28 2j03 s LYS 62 Ca 0.00 -1.78 -0.26 0.00 0.02 0.00 0.00 55.97 53.95 2j03 s LYS 62 Cb 0.00 -2.28 0.07 0.00 -0.52 0.00 0.00 37.83 35.09 2j03 s LYS 62 CO 0.00 -0.49 0.67 0.15 -0.92 0.00 0.00 175.35 174.76 2j03 s LYS 63 N -4.28 0.88 0.45 1.68 1.02 -1.26 -4.70 119.74 113.53 2j03 s LYS 63 Ca 0.44 0.67 0.06 0.00 0.02 0.00 0.00 55.97 57.16 2j03 s LYS 63 Cb -0.03 0.42 0.01 0.00 -0.52 0.00 0.00 37.83 37.72 2j03 s LYS 63 CO 0.26 -0.18 0.62 0.21 -0.92 0.00 0.00 175.35 175.34 2j03 s LYS 64 N -0.23 2.80 0.00 1.68 2.20 -1.26 -3.24 119.74 121.68 2j03 s LYS 64 Ca -0.04 -1.06 0.00 0.00 -0.36 0.00 0.00 55.97 54.50 2j03 s LYS 64 Cb -0.03 -2.69 0.00 0.00 -1.51 0.00 0.00 37.83 33.60 2j03 s LYS 64 CO 0.04 -0.35 0.00 -2.13 -0.36 0.00 0.00 175.35 172.55 2j03 n ARG 65 N -1.96 0.00 0.00 4.03 0.00 -1.26 -4.81 116.66 112.66 2j03 n ARG 65 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.92 2j03 n ARG 65 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.05 2j03 n ARG 65 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.63 177.52 2j03 n LEU 66 N 0.00 0.00 0.00 6.15 0.00 -1.26 -4.72 117.00 117.17 2j03 n LEU 66 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.01 2j03 n LEU 66 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.42 2j03 n LEU 66 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 177.39 178.00 2j03 n GLY 67 N -0.75 3.83 0.00 -3.96 0.00 -1.26 -5.19 105.19 97.85 2j03 n GLY 67 Ca 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.73 2j03 n GLY 67 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2j03 n ARG 68 N 0.00 0.00 -2.35 1.61 1.85 -1.20 -4.67 116.66 111.90 2j03 n ARG 68 Ca 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 57.85 56.84 2j03 n ARG 68 Cb 0.00 0.00 -0.01 0.00 -1.05 0.00 0.00 32.46 31.40 2j03 n ARG 68 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 2j03 n TYR 69 N 0.00 -1.69 -3.57 2.89 4.02 -1.26 -4.56 117.16 112.99 2j03 n TYR 69 Ca 0.00 1.00 -0.19 0.00 -0.01 0.00 0.00 57.90 58.70 2j03 n TYR 69 Cb 0.00 -2.02 -0.01 0.00 -0.02 0.00 0.00 39.34 37.29 2j03 n TYR 69 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 176.86 174.68 2j03 s LEU 70 N -0.22 3.95 0.00 7.72 2.96 0.21 -4.79 118.68 128.51 2j03 s LEU 70 Ca -0.03 -0.21 0.00 0.00 -0.22 0.00 0.00 54.13 53.67 2j03 s LEU 70 Cb 0.00 -2.68 0.00 0.00 0.50 0.00 0.00 46.19 44.01 2j03 s LEU 70 CO 0.08 -0.38 0.00 0.61 -1.32 0.00 0.00 176.35 175.34 2j03 n GLY 71 N -1.57 0.59 0.00 7.98 0.00 -1.26 -4.55 105.19 106.38 2j03 n GLY 71 Ca -0.01 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.95 2j03 n GLY 71 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2j03 n LYS 72 N 4.77 0.00 -2.25 1.61 2.85 -1.26 -5.02 118.16 118.86 2j03 n LYS 72 Ca 0.00 0.00 -0.02 0.00 -1.05 0.00 0.00 58.31 57.24 2j03 n LYS 72 Cb 0.00 0.00 0.06 0.00 -0.65 0.00 0.00 35.03 34.44 2j03 n LYS 72 CO 0.00 0.00 0.00 2.89 -0.05 0.00 0.00 177.40 180.24 2j03 n ARG 73 N 0.00 1.03 -0.61 -1.58 1.85 -1.26 -4.14 116.66 111.94 2j03 n ARG 73 Ca 0.00 -1.91 -0.24 0.00 -1.00 0.00 0.00 57.85 54.70 2j03 n ARG 73 Cb 0.00 -0.18 -0.03 0.00 -1.05 0.00 0.00 32.46 31.20 2j03 n ARG 73 CO 0.00 0.00 0.00 -0.35 -0.01 0.00 0.00 177.63 177.27 2j03 n PRO 74 N -0.73 0.00 -2.79 2.89 -0.04 -1.26 -2.98 135.00 130.09 2j03 n PRO 74 Ca -0.10 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.06 2j03 n PRO 74 Cb 0.86 -0.61 -0.03 0.00 -0.04 0.00 0.00 33.50 33.68 2j03 n PRO 74 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 2j03 s ASP 75 N 0.06 6.47 -0.25 3.54 -1.08 -1.26 -2.78 116.67 121.37 2j03 s ASP 75 Ca 0.37 1.11 -0.28 0.00 -0.52 0.00 0.00 52.55 53.23 2j03 s ASP 75 Cb -0.52 -2.32 0.16 0.00 -1.46 0.00 0.00 42.92 38.78 2j03 s ASP 75 CO 0.24 -0.44 1.19 0.00 0.52 0.00 0.00 175.17 176.67 2j03 s ARG 76 N -4.03 0.33 0.00 4.34 1.04 -1.25 -2.67 118.95 116.71 2j03 s ARG 76 Ca 0.51 0.20 0.00 0.00 -1.04 0.00 0.00 55.73 55.40 2j03 s ARG 76 Cb -0.10 0.16 0.00 0.00 -2.04 0.00 0.00 34.95 32.96 2j03 s ARG 76 CO 0.34 -0.08 0.00 1.63 -0.04 0.00 0.00 175.30 177.15 2j03 n LYS 77 N 1.20 0.00 -1.53 3.89 5.02 -1.14 -0.76 118.16 124.84 2j03 n LYS 77 Ca -0.08 0.00 -0.58 0.00 -2.02 0.00 0.00 58.31 55.63 2j03 n LYS 77 Cb 0.57 0.00 -0.08 0.00 -0.02 0.00 0.00 35.03 35.51 2j03 n LYS 77 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 2j03 n LYS 78 N -0.82 0.26 -3.73 1.97 -0.00 -1.26 -4.50 118.16 110.07 2j03 n LYS 78 Ca 0.00 0.09 -0.37 0.00 -0.00 0.00 0.00 58.31 58.04 2j03 n LYS 78 Cb 0.00 -1.62 -0.07 0.00 -0.00 0.00 0.00 35.03 33.34 2j03 n LYS 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2j03 s ALA 79 N 0.23 3.76 0.14 0.58 0.00 -1.22 -2.88 121.76 122.37 2j03 s ALA 79 Ca 0.90 -0.56 -0.07 0.00 0.00 0.00 0.00 51.96 52.23 2j03 s ALA 79 Cb -1.21 -2.15 -0.05 0.00 0.00 0.00 0.00 23.12 19.71 2j03 s ALA 79 CO 0.56 0.40 1.36 0.97 0.00 0.00 0.00 175.76 179.05 2j03 h ILE 80 N 4.23 1.33 -1.61 0.00 2.10 -1.16 -3.02 117.51 119.38 2j03 h ILE 80 Ca -0.49 -2.07 0.04 0.00 1.08 0.00 0.00 64.86 63.43 2j03 h ILE 80 Cb 1.20 2.06 -0.02 0.00 -1.09 0.00 0.00 36.82 38.96 2j03 h ILE 80 CO 0.66 0.64 -0.46 0.55 -1.08 0.00 0.00 178.15 178.45 2j03 n VAL 81 N -3.88 -1.04 -0.38 2.19 3.14 -1.26 -2.51 118.33 114.60 2j03 n VAL 81 Ca -0.06 0.58 -0.29 0.00 -2.96 0.00 0.00 64.34 61.61 2j03 n VAL 81 Cb 0.73 -0.94 0.27 0.00 -1.06 0.00 0.00 33.84 32.84 2j03 n VAL 81 CO 0.00 0.00 0.00 1.67 -6.46 0.00 0.00 176.83 172.04 2j03 n GLN 82 N -2.28 -3.53 -2.29 1.45 -0.06 1.06 -4.27 117.38 107.45 2j03 n GLN 82 Ca -0.01 -1.03 -0.40 0.00 -2.00 0.00 0.00 57.00 53.56 2j03 n GLN 82 Cb 0.24 -1.98 -0.03 0.00 -4.06 0.00 0.00 30.24 24.40 2j03 n GLN 82 CO 0.00 0.00 0.00 0.14 -0.20 0.00 0.00 177.06 177.00 2j03 s VAL 83 N -2.24 3.53 0.00 1.69 -7.23 -1.26 -3.99 120.40 110.90 2j03 s VAL 83 Ca 0.65 0.30 0.00 0.00 -1.81 0.00 0.00 61.98 61.13 2j03 s VAL 83 Cb -0.18 -4.42 0.00 0.00 0.56 0.00 0.00 36.38 32.34 2j03 s VAL 83 CO 0.60 -1.38 0.00 0.00 -0.31 0.00 0.00 175.10 174.01 2j03 n ALA 84 N 11.10 0.00 0.30 1.32 0.00 -1.26 -4.91 120.51 127.05 2j03 n ALA 84 Ca 0.12 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.61 2j03 n ALA 84 Cb 0.51 0.00 0.30 0.00 0.00 0.00 0.00 19.45 20.25 2j03 n ALA 84 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 2j03 h PRO 85 N 0.00 0.00 -2.46 0.00 0.11 -1.95 -3.42 132.00 124.28 2j03 h PRO 85 Ca 0.00 0.00 -0.26 0.00 0.11 0.00 0.00 66.00 65.85 2j03 h PRO 85 Cb 0.00 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 31.07 2j03 h PRO 85 CO 0.00 0.00 0.78 0.41 -0.21 0.00 0.00 178.00 178.98 2j03 n GLY 86 N -1.36 -0.20 3.26 -0.55 0.00 -1.26 -4.82 105.19 100.27 2j03 n GLY 86 Ca -0.01 0.54 -0.12 0.00 0.00 0.00 0.00 46.02 46.44 2j03 n GLY 86 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2j03 s GLN 87 N 3.92 1.27 0.46 1.61 -2.07 -1.26 -5.01 119.66 118.58 2j03 s GLN 87 Ca 0.62 -1.59 0.00 0.00 -1.82 0.00 0.00 55.36 52.58 2j03 s GLN 87 Cb -0.62 0.30 0.00 0.00 -1.09 0.00 0.00 33.01 31.60 2j03 s GLN 87 CO 0.25 -0.44 0.00 1.63 -1.32 0.00 0.00 175.29 175.41 2j03 n LYS 88 N -0.30 -4.87 0.00 9.60 4.01 -1.26 -4.59 118.16 120.75 2j03 n LYS 88 Ca 0.02 3.57 0.00 0.00 -0.51 0.00 0.00 58.31 61.39 2j03 n LYS 88 Cb 0.65 -4.01 0.00 0.00 -0.51 0.00 0.00 35.03 31.16 2j03 n LYS 88 CO 0.00 0.00 0.00 -0.89 -1.11 0.00 0.00 177.40 175.40 2j03 n ILE 89 N -0.19 0.00 0.00 -0.18 -0.00 -1.26 -4.89 119.36 112.85 2j03 n ILE 89 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.75 2j03 n ILE 89 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 39.64 39.64 2j03 n ILE 89 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.55 177.76 2j03 n GLU 90 N -1.94 0.00 0.00 0.38 2.13 -1.26 -2.42 120.64 117.52 2j03 n GLU 90 Ca 0.00 0.05 0.00 0.00 0.66 0.00 0.00 57.16 57.87 2j03 n GLU 90 Cb 0.00 -0.85 0.00 0.00 0.27 0.00 0.00 31.44 30.86 2j03 n GLU 90 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2j03 n ALA 91 N -1.31 1.25 -2.60 4.31 0.00 -1.26 -2.37 120.51 118.53 2j03 n ALA 91 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 2j03 n ALA 91 Cb 0.00 -0.94 -0.04 0.00 0.00 0.00 0.00 19.45 18.47 2j03 n ALA 91 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2j03 s LEU 92 N -2.26 4.04 0.00 0.00 1.43 -1.02 -3.05 118.68 117.83 2j03 s LEU 92 Ca 0.00 0.54 0.00 0.00 -1.03 0.00 0.00 54.13 53.64 2j03 s LEU 92 Cb 0.00 -3.19 0.00 0.00 0.03 0.00 0.00 46.19 43.03 2j03 s LEU 92 CO 0.00 -0.80 0.00 1.21 0.23 0.00 0.00 176.35 176.99 2j03 n GLU 93 N 6.62 0.00 0.00 1.70 4.07 -1.26 -4.41 120.64 127.36 2j03 n GLU 93 Ca 0.06 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.16 2j03 n GLU 93 Cb 0.48 -0.93 0.00 0.00 -0.06 0.00 0.00 31.44 30.93 2j03 n GLU 93 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2j03 n GLY 94 N -2.00 2.24 0.00 8.31 0.00 -1.17 -5.17 105.19 107.40 2j03 n GLY 94 Ca 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.66 2j03 n GLY 94 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22