#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2j02 s ASN 9 N 0.00 5.79 -0.27 0.55 4.22 -1.26 -5.04 114.94 118.94 2j02 s ASN 9 Ca 0.00 2.23 -0.00 0.00 -2.14 0.00 0.00 52.86 52.95 2j02 s ASN 9 Cb 0.00 -2.59 0.08 0.00 1.28 0.00 0.00 41.25 40.02 2j02 s ASN 9 CO 0.00 -1.17 0.04 -0.22 -2.04 0.00 0.00 177.10 173.71 2j02 s LEU 10 N -3.62 2.30 -0.34 3.54 2.96 -1.26 -5.06 118.68 117.20 2j02 s LEU 10 Ca 0.71 -1.39 -0.03 0.00 -0.22 0.00 0.00 54.13 53.20 2j02 s LEU 10 Cb -0.26 -0.94 -0.12 0.00 0.50 0.00 0.00 46.19 45.37 2j02 s LEU 10 CO 0.29 -0.34 1.23 -1.20 -1.32 0.00 0.00 176.35 175.01 2j02 n SER 11 N 4.80 -1.49 0.00 3.68 7.64 -1.26 -4.19 113.62 122.79 2j02 n SER 11 Ca -0.05 -0.88 0.00 0.00 1.01 0.00 0.00 58.87 58.94 2j02 n SER 11 Cb 0.44 -0.48 0.00 0.00 -1.01 0.00 0.00 64.21 63.16 2j02 n SER 11 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2j02 n ALA 12 N 4.09 0.00 -0.16 -0.43 0.00 -1.26 -4.78 120.51 117.97 2j02 n ALA 12 Ca 0.23 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.77 2j02 n ALA 12 Cb 0.29 0.00 0.42 0.00 0.00 0.00 0.00 19.45 20.17 2j02 n ALA 12 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2j02 h LEU 13 N 0.00 0.54 -0.96 0.00 4.07 -2.01 0.20 115.31 117.14 2j02 h LEU 13 Ca 0.00 0.01 0.28 0.00 0.08 0.00 0.00 57.88 58.25 2j02 h LEU 13 Cb 0.17 -0.10 -0.14 0.00 1.08 0.00 0.00 40.66 41.67 2j02 h LEU 13 CO 0.00 0.32 0.47 0.50 -1.08 0.00 0.00 178.44 178.65 2j02 h LYS 14 N 0.60 0.32 -0.51 1.13 3.64 -1.94 1.67 116.57 121.48 2j02 h LYS 14 Ca 0.33 -0.02 0.07 0.00 -1.27 0.00 0.00 60.65 59.76 2j02 h LYS 14 Cb 0.48 -0.07 -0.06 0.00 -0.41 0.00 0.00 32.23 32.17 2j02 h LYS 14 CO -0.11 0.21 0.18 0.00 -2.27 0.00 0.00 179.45 177.46 2j02 h ARG 15 N 0.33 0.35 0.85 1.90 2.47 -1.33 1.70 114.38 120.65 2j02 h ARG 15 Ca 0.66 -0.02 -0.04 0.00 -1.26 0.00 0.00 59.98 59.32 2j02 h ARG 15 Cb 1.42 -0.08 0.01 0.00 -1.65 0.00 0.00 29.97 29.67 2j02 h ARG 15 CO -0.60 0.23 -0.41 1.25 0.56 0.00 0.00 179.97 181.00 2j02 h HIS 16 N 0.36 -1.06 -0.78 3.04 2.76 0.21 1.62 115.15 121.30 2j02 h HIS 16 Ca 0.24 -0.02 0.07 0.00 -2.20 0.00 0.00 60.37 58.46 2j02 h HIS 16 Cb 0.26 0.35 -0.10 0.00 1.55 0.00 0.00 27.41 29.48 2j02 h HIS 16 CO -0.16 -0.65 -0.48 0.00 -1.30 0.00 0.00 177.93 175.34 2j02 h ARG 17 N -1.21 -0.03 -0.49 5.26 3.08 1.00 0.71 114.38 122.70 2j02 h ARG 17 Ca -0.12 0.00 0.08 0.00 0.07 0.00 0.00 59.98 60.02 2j02 h ARG 17 Cb 0.88 0.01 -0.07 0.00 0.08 0.00 0.00 29.97 30.87 2j02 h ARG 17 CO 0.19 -0.02 0.09 1.96 -1.07 0.00 0.00 179.97 181.12 2j02 h GLN 18 N -0.03 0.22 -0.28 0.04 4.20 0.27 -2.49 115.11 117.04 2j02 h GLN 18 Ca 0.13 -0.01 0.03 0.00 0.06 0.00 0.00 58.65 58.85 2j02 h GLN 18 Cb 0.35 -0.05 -0.04 0.00 0.30 0.00 0.00 27.48 28.04 2j02 h GLN 18 CO -0.75 0.14 -0.26 1.03 -0.67 0.00 0.00 178.83 178.33 2j02 h SER 19 N 0.22 -0.89 0.00 1.46 0.87 0.83 0.15 113.55 116.20 2j02 h SER 19 Ca 0.25 0.12 0.00 0.00 -1.23 0.00 0.00 61.79 60.93 2j02 h SER 19 Cb 0.33 0.37 0.00 0.00 -0.44 0.00 0.00 62.40 62.67 2j02 h SER 19 CO -0.33 -0.15 0.00 0.18 -0.53 0.00 0.00 176.83 176.00 2j02 n LEU 20 N -3.94 0.00 -0.25 2.23 4.77 0.51 -0.57 117.00 119.75 2j02 n LEU 20 Ca -0.01 0.94 -0.07 0.00 -0.03 0.00 0.00 56.01 56.85 2j02 n LEU 20 Cb 0.14 -0.44 -0.06 0.00 -2.33 0.00 0.00 43.42 40.73 2j02 n LEU 20 CO -0.02 -0.44 0.44 0.29 -1.33 0.00 0.00 177.39 176.32 2j02 n LYS 21 N -2.75 -0.26 -0.34 3.23 5.02 -0.88 0.50 118.16 122.68 2j02 n LYS 21 Ca 0.00 1.20 0.19 0.00 -2.02 0.00 0.00 58.31 57.67 2j02 n LYS 21 Cb 0.00 -1.77 0.40 0.00 -0.02 0.00 0.00 35.03 33.64 2j02 n LYS 21 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2j02 h ARG 22 N 0.00 0.48 0.04 1.97 3.08 0.13 0.26 114.38 120.33 2j02 h ARG 22 Ca 0.10 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.11 2j02 h ARG 22 Cb 0.24 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.19 2j02 h ARG 22 CO -0.56 0.32 -0.02 -0.09 -1.07 0.00 0.00 179.97 178.55 2j02 h ARG 23 N 0.50 -0.05 -0.87 0.04 2.43 0.26 -2.50 114.38 114.19 2j02 h ARG 23 Ca 0.66 0.00 0.32 0.00 -0.81 0.00 0.00 59.98 60.15 2j02 h ARG 23 Cb 1.31 0.01 -0.16 0.00 -0.42 0.00 0.00 29.97 30.72 2j02 h ARG 23 CO -0.51 -0.03 0.30 -0.11 -1.51 0.00 0.00 179.97 178.10 2j02 n LEU 24 N -2.16 0.15 0.00 3.80 -0.00 0.03 -0.88 117.00 117.95 2j02 n LEU 24 Ca -0.01 1.45 0.00 0.00 -0.00 0.00 0.00 56.01 57.46 2j02 n LEU 24 Cb 0.02 -0.64 0.00 0.00 -0.00 0.00 0.00 43.42 42.80 2j02 n LEU 24 CO 0.01 -1.57 0.49 -1.14 -0.00 0.00 0.00 177.39 175.18 2j02 n ARG 25 N -5.07 0.00 0.19 1.96 0.63 0.84 -2.90 116.66 112.30 2j02 n ARG 25 Ca 0.28 0.67 0.05 0.00 -0.92 0.00 0.00 57.85 57.94 2j02 n ARG 25 Cb 0.95 -1.47 0.35 0.00 0.45 0.00 0.00 32.46 32.74 2j02 n ARG 25 CO 0.00 0.00 0.00 -2.95 -2.51 0.00 0.00 177.63 172.17 2j02 h ASN 26 N 0.00 0.00 -0.67 6.15 -0.00 -0.73 -2.95 115.58 117.38 2j02 h ASN 26 Ca 0.00 0.00 0.13 0.00 -0.00 0.00 0.00 56.30 56.43 2j02 h ASN 26 Cb 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 38.32 38.19 2j02 h ASN 26 CO 0.00 0.37 -0.19 0.50 -0.00 0.00 0.00 177.43 178.11 2j02 h LYS 27 N 0.00 -0.02 0.00 4.14 3.11 -0.97 0.33 116.57 123.16 2j02 h LYS 27 Ca -0.00 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.84 2j02 h LYS 27 Cb 0.86 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.09 2j02 h LYS 27 CO 0.05 -0.01 0.00 0.00 -2.81 0.00 0.00 179.45 176.67 2j02 n ALA 28 N -3.15 0.00 -0.18 5.00 0.00 -1.11 -1.83 120.51 119.24 2j02 n ALA 28 Ca 0.08 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.66 2j02 n ALA 28 Cb 0.35 0.02 0.26 0.00 0.00 0.00 0.00 19.45 20.09 2j02 n ALA 28 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 2j02 n LYS 29 N -0.11 -0.04 -0.01 0.00 2.85 -1.14 0.15 118.16 119.85 2j02 n LYS 29 Ca 0.00 0.78 -0.10 0.00 -1.05 0.00 0.00 58.31 57.95 2j02 n LYS 29 Cb 0.00 -1.34 -0.04 0.00 -0.65 0.00 0.00 35.03 33.00 2j02 n LYS 29 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 177.40 177.13 2j02 h LYS 30 N 0.00 0.04 -0.84 -1.58 1.63 -0.72 -1.65 116.57 113.44 2j02 h LYS 30 Ca 0.42 -0.00 0.01 0.00 -0.85 0.00 0.00 60.65 60.22 2j02 h LYS 30 Cb 1.04 -0.01 -0.04 0.00 -0.60 0.00 0.00 32.23 32.62 2j02 h LYS 30 CO -0.46 0.03 0.56 0.66 -3.45 0.00 0.00 179.45 176.78 2j02 h SER 31 N 0.04 0.97 -0.48 4.20 4.64 0.21 -1.97 113.55 121.17 2j02 h SER 31 Ca 0.06 -0.03 0.10 0.00 -0.47 0.00 0.00 61.79 61.45 2j02 h SER 31 Cb 0.08 -0.24 -0.09 0.00 -0.31 0.00 0.00 62.40 61.84 2j02 h SER 31 CO -0.11 0.71 -0.09 0.00 -0.87 0.00 0.00 176.83 176.47 2j02 h ALA 32 N 1.31 0.36 -0.48 5.18 0.00 -1.01 0.17 119.26 124.79 2j02 h ALA 32 Ca 0.31 0.17 0.09 0.00 0.00 0.00 0.00 54.91 55.49 2j02 h ALA 32 Cb -0.13 0.33 -0.10 0.00 0.00 0.00 0.00 17.79 17.89 2j02 h ALA 32 CO -0.07 -0.43 -0.29 0.82 0.00 0.00 0.00 179.25 179.28 2j02 h ILE 33 N 0.03 0.25 0.00 0.00 1.08 -0.56 0.83 117.51 119.14 2j02 h ILE 33 Ca 0.23 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.70 2j02 h ILE 33 Cb 0.36 0.25 0.00 0.00 -3.07 0.00 0.00 36.82 34.36 2j02 h ILE 33 CO -0.47 0.00 0.00 0.29 -0.69 0.00 0.00 178.15 177.28 2j02 n LYS 34 N -5.42 0.00 -0.29 2.37 5.02 0.36 0.11 118.16 120.31 2j02 n LYS 34 Ca 0.03 0.09 0.09 0.00 -2.02 0.00 0.00 58.31 56.50 2j02 n LYS 34 Cb 0.34 -1.04 0.18 0.00 -0.02 0.00 0.00 35.03 34.49 2j02 n LYS 34 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 2j02 n THR 35 N -0.67 -0.35 -0.33 -0.18 -2.24 0.23 0.29 114.28 111.04 2j02 n THR 35 Ca 0.00 1.85 -0.04 0.00 -2.27 0.00 0.00 64.05 63.59 2j02 n THR 35 Cb 0.00 -2.63 0.08 0.00 -2.10 0.00 0.00 70.33 65.68 2j02 n THR 35 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 2j02 h LEU 36 N 0.00 1.10 0.64 3.22 7.12 0.79 -0.60 115.31 127.58 2j02 h LEU 36 Ca 0.45 -0.10 -0.03 0.00 0.13 0.00 0.00 57.88 58.33 2j02 h LEU 36 Cb 0.81 -0.28 0.01 0.00 -0.53 0.00 0.00 40.66 40.67 2j02 h LEU 36 CO -0.81 0.88 -0.31 0.28 -0.13 0.00 0.00 178.44 178.35 2j02 h SER 37 N 1.23 -0.73 -0.58 1.25 0.02 1.20 -2.70 113.55 113.23 2j02 h SER 37 Ca 0.31 -0.01 0.10 0.00 -0.84 0.00 0.00 61.79 61.35 2j02 h SER 37 Cb 0.03 0.19 -0.11 0.00 0.14 0.00 0.00 62.40 62.64 2j02 h SER 37 CO -0.05 -0.36 -0.34 0.11 -1.14 0.00 0.00 176.83 175.05 2j02 h LYS 38 N -1.14 -0.16 -0.92 3.45 1.57 -0.65 0.60 116.57 119.33 2j02 h LYS 38 Ca -0.09 0.01 0.18 0.00 -1.87 0.00 0.00 60.65 58.89 2j02 h LYS 38 Cb 0.70 0.04 -0.17 0.00 0.08 0.00 0.00 32.23 32.87 2j02 h LYS 38 CO 0.14 -0.11 -0.22 -0.22 -0.57 0.00 0.00 179.45 178.47 2j02 h LYS 39 N -0.17 0.00 0.07 3.15 3.64 -1.09 0.29 116.57 122.46 2j02 h LYS 39 Ca 0.23 -0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.61 2j02 h LYS 39 Cb 0.55 -0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.37 2j02 h LYS 39 CO -0.68 0.00 -0.06 0.00 -2.27 0.00 0.00 179.45 176.45 2j02 h ALA 40 N 1.92 -0.86 -1.04 5.00 0.00 0.52 -2.76 119.26 122.03 2j02 h ALA 40 Ca 0.44 -0.03 0.27 0.00 0.00 0.00 0.00 54.91 55.60 2j02 h ALA 40 Cb 0.68 0.24 -0.11 0.00 0.00 0.00 0.00 17.79 18.60 2j02 h ALA 40 CO -0.94 -0.86 0.65 -0.84 0.00 0.00 0.00 179.25 177.25 2j02 h ILE 41 N -0.13 0.49 -0.11 0.00 3.07 -0.47 0.41 117.51 120.78 2j02 h ILE 41 Ca -0.01 -0.15 0.03 0.00 1.55 0.00 0.00 64.86 66.28 2j02 h ILE 41 Cb 0.11 0.01 -0.00 0.00 -0.27 0.00 0.00 36.82 36.66 2j02 h ILE 41 CO 0.00 0.08 0.17 -0.61 -1.05 0.00 0.00 178.15 176.74 2j02 h GLN 42 N 0.44 0.00 0.00 0.16 5.75 -0.17 0.35 115.11 121.64 2j02 h GLN 42 Ca 0.64 0.00 -0.08 0.00 -0.15 0.00 0.00 58.65 59.05 2j02 h GLN 42 Cb 1.48 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 30.01 2j02 h GLN 42 CO -0.39 0.00 -1.34 1.28 -2.65 0.00 0.00 178.83 175.73 2j02 n LEU 43 N -3.56 0.72 0.06 -2.39 4.77 0.14 -2.01 117.00 114.73 2j02 n LEU 43 Ca -0.00 0.30 -0.20 0.00 -0.03 0.00 0.00 56.01 56.07 2j02 n LEU 43 Cb 0.27 0.02 -0.14 0.00 -2.33 0.00 0.00 43.42 41.24 2j02 n LEU 43 CO 0.24 -0.00 0.03 0.00 -1.33 0.00 0.00 177.39 176.33 2j02 h ALA 44 N 1.72 -0.09 -0.68 -1.18 0.00 -0.65 1.39 119.26 119.78 2j02 h ALA 44 Ca -0.09 -0.70 -0.04 0.00 0.00 0.00 0.00 54.91 54.08 2j02 h ALA 44 Cb 1.29 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 19.15 2j02 h ALA 44 CO 0.02 0.41 0.26 0.37 0.00 0.00 0.00 179.25 180.31 2j02 h GLN 45 N -0.29 1.01 0.00 0.00 -0.00 -0.55 0.55 115.11 115.83 2j02 h GLN 45 Ca -0.15 -0.17 0.00 0.00 -0.00 0.00 0.00 58.65 58.33 2j02 h GLN 45 Cb 1.67 -0.17 0.00 0.00 0.00 0.00 0.00 27.48 28.99 2j02 h GLN 45 CO 0.16 0.83 0.00 -1.91 0.00 0.00 0.00 178.83 177.91 2j02 n GLU 46 N -4.29 0.94 -3.54 1.69 2.13 -0.85 -4.90 120.64 111.81 2j02 n GLU 46 Ca 0.06 0.00 -0.24 0.00 0.66 0.00 0.00 57.16 57.64 2j02 n GLU 46 Cb 0.18 -1.24 0.04 0.00 0.27 0.00 0.00 31.44 30.69 2j02 n GLU 46 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2j02 n GLY 47 N 0.66 -1.09 0.00 8.31 0.00 0.19 -4.99 105.19 108.28 2j02 n GLY 47 Ca 0.11 0.49 0.00 0.00 0.00 0.00 0.00 46.02 46.62 2j02 n GLY 47 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2j02 n LYS 48 N -3.58 0.44 0.00 1.61 4.76 0.47 -4.94 118.16 116.92 2j02 n LYS 48 Ca -0.10 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.34 2j02 n LYS 48 Cb 0.59 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.78 2j02 n LYS 48 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2j02 n ALA 49 N -3.00 0.00 0.40 7.82 0.00 -1.26 -4.79 120.51 119.68 2j02 n ALA 49 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.28 2j02 n ALA 49 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.37 2j02 n ALA 49 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 2j02 h GLU 50 N 0.00 -0.99 -1.00 0.00 4.11 -1.95 -2.71 114.58 112.05 2j02 h GLU 50 Ca 0.00 0.07 0.34 0.00 0.07 0.00 0.00 59.36 59.84 2j02 h GLU 50 Cb 0.00 0.23 -0.18 0.00 0.50 0.00 0.00 28.75 29.29 2j02 h GLU 50 CO 0.00 -0.66 0.26 1.05 0.07 0.00 0.00 179.01 179.73 2j02 h GLU 51 N -1.08 0.00 0.52 1.06 4.11 -1.97 0.99 114.58 118.21 2j02 h GLU 51 Ca -0.11 -0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.31 2j02 h GLU 51 Cb 0.79 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.03 2j02 h GLU 51 CO 0.17 0.00 -0.38 0.00 0.07 0.00 0.00 179.01 178.87 2j02 h ALA 52 N 2.00 -0.92 0.11 1.06 0.00 -1.86 0.10 119.26 119.75 2j02 h ALA 52 Ca 0.72 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 55.47 2j02 h ALA 52 Cb 1.70 0.51 -0.02 0.00 0.00 0.00 0.00 17.79 19.98 2j02 h ALA 52 CO -0.86 -1.04 -0.16 -0.07 0.00 0.00 0.00 179.25 177.12 2j02 h LEU 53 N -0.88 -0.43 -0.78 0.00 3.38 0.85 0.86 115.31 118.30 2j02 h LEU 53 Ca -0.06 0.05 0.18 0.00 0.09 0.00 0.00 57.88 58.14 2j02 h LEU 53 Cb 0.74 0.16 -0.14 0.00 0.09 0.00 0.00 40.66 41.51 2j02 h LEU 53 CO 0.02 -0.23 -0.06 0.50 0.09 0.00 0.00 178.44 178.75 2j02 h LYS 54 N -0.32 0.05 0.33 1.13 3.64 0.78 2.87 116.57 125.06 2j02 h LYS 54 Ca 0.02 -0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.38 2j02 h LYS 54 Cb 0.33 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.14 2j02 h LYS 54 CO -0.07 0.04 -0.16 0.82 -2.27 0.00 0.00 179.45 177.80 2j02 h ILE 55 N 0.06 0.00 -1.36 2.00 1.08 0.22 0.85 117.51 120.36 2j02 h ILE 55 Ca 0.42 -0.06 0.46 0.00 -0.39 0.00 0.00 64.86 65.29 2j02 h ILE 55 Cb 0.72 0.00 -0.14 0.00 -3.07 0.00 0.00 36.82 34.33 2j02 h ILE 55 CO -0.74 0.00 0.87 -0.03 -0.69 0.00 0.00 178.15 177.57 2j02 h MET 56 N -0.50 0.03 0.57 2.37 4.05 0.23 1.38 114.93 123.05 2j02 h MET 56 Ca -0.05 -0.00 -0.03 0.00 -0.28 0.00 0.00 59.70 59.35 2j02 h MET 56 Cb 0.34 -0.01 0.01 0.00 -0.80 0.00 0.00 31.60 31.14 2j02 h MET 56 CO 0.07 0.02 -0.27 -0.09 0.23 0.00 0.00 176.91 176.87 2j02 h ARG 57 N 0.03 -0.73 -1.00 0.39 9.65 0.53 -2.40 114.38 120.85 2j02 h ARG 57 Ca 0.86 0.05 0.20 0.00 -1.10 0.00 0.00 59.98 59.99 2j02 h ARG 57 Cb 2.75 0.17 -0.11 0.00 -1.39 0.00 0.00 29.97 31.39 2j02 h ARG 57 CO -0.45 -0.47 0.61 -0.22 2.80 0.00 0.00 179.97 182.23 2j02 h LYS 58 N -1.19 0.71 -0.10 0.20 1.63 0.30 -1.70 116.57 116.42 2j02 h LYS 58 Ca -0.08 -0.04 0.01 0.00 -0.85 0.00 0.00 60.65 59.69 2j02 h LYS 58 Cb 0.60 -0.16 -0.02 0.00 -0.60 0.00 0.00 32.23 32.05 2j02 h LYS 58 CO 0.13 0.47 -0.13 0.00 -3.45 0.00 0.00 179.45 176.47 2j02 h ALA 59 N 1.66 -0.40 -0.89 5.00 0.00 0.16 -2.00 119.26 122.79 2j02 h ALA 59 Ca 0.59 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.50 2j02 h ALA 59 Cb 0.96 0.81 0.00 0.00 0.00 0.00 0.00 17.79 19.56 2j02 h ALA 59 CO -0.39 -0.46 0.00 -1.91 0.00 0.00 0.00 179.25 176.48 2j02 n GLU 60 N -3.33 0.00 -0.34 0.00 2.13 -0.65 -0.88 120.64 117.57 2j02 n GLU 60 Ca -0.01 0.52 -0.02 0.00 0.66 0.00 0.00 57.16 58.30 2j02 n GLU 60 Cb 0.08 -0.85 0.02 0.00 0.27 0.00 0.00 31.44 30.96 2j02 n GLU 60 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 2j02 n SER 61 N -1.85 -0.63 -0.12 4.31 2.88 -1.11 0.14 113.62 117.25 2j02 n SER 61 Ca 0.00 1.53 0.17 0.00 -1.33 0.00 0.00 58.87 59.24 2j02 n SER 61 Cb 0.00 -0.33 0.57 0.00 -0.75 0.00 0.00 64.21 63.70 2j02 n SER 61 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 2j02 h LEU 62 N 0.00 0.27 0.04 2.46 6.46 -0.24 -1.60 115.31 122.70 2j02 h LEU 62 Ca 0.28 0.02 -0.00 0.00 -0.12 0.00 0.00 57.88 58.05 2j02 h LEU 62 Cb 0.50 -0.04 0.00 0.00 -0.73 0.00 0.00 40.66 40.39 2j02 h LEU 62 CO -0.86 0.14 -0.02 0.40 -0.62 0.00 0.00 178.44 177.48 2j02 h ILE 63 N 0.28 0.00 -0.83 4.05 2.04 0.20 -2.76 117.51 120.49 2j02 h ILE 63 Ca 0.34 -0.05 0.24 0.00 1.00 0.00 0.00 64.86 66.39 2j02 h ILE 63 Cb 0.94 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.99 2j02 h ILE 63 CO -0.08 0.00 0.94 0.44 0.00 0.00 0.00 178.15 179.45 2j02 h ASP 64 N -0.11 0.00 -0.25 1.72 5.19 -1.27 1.84 116.42 123.54 2j02 h ASP 64 Ca -0.01 0.00 -0.19 0.00 -0.62 0.00 0.00 57.03 56.22 2j02 h ASP 64 Cb 0.04 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.56 2j02 h ASP 64 CO 0.01 0.00 -0.57 0.11 -3.12 0.00 0.00 179.24 175.67 2j02 h LYS 65 N 0.00 0.83 0.00 3.56 1.57 -1.29 -2.76 116.57 118.49 2j02 h LYS 65 Ca 0.39 -0.56 -0.01 0.00 -1.87 0.00 0.00 60.65 58.61 2j02 h LYS 65 Cb 2.28 0.08 -0.00 0.00 0.08 0.00 0.00 32.23 34.66 2j02 h LYS 65 CO -0.00 1.18 -0.06 0.00 -0.57 0.00 0.00 179.45 180.00 2j02 h ALA 66 N 0.64 1.13 0.00 3.86 0.00 0.32 -2.14 119.26 123.07 2j02 h ALA 66 Ca 0.00 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 2j02 h ALA 66 Cb 1.18 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.96 2j02 h ALA 66 CO 0.12 0.07 -0.05 0.00 0.00 0.00 0.00 179.25 179.39 2j02 h ALA 67 N 1.94 1.02 -0.29 0.00 0.00 -1.10 -3.15 119.26 117.69 2j02 h ALA 67 Ca -0.00 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 2j02 h ALA 67 Cb 0.29 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 2j02 h ALA 67 CO 0.01 0.07 -0.04 0.87 0.00 0.00 0.00 179.25 180.15 2j02 h LYS 68 N 0.00 0.54 0.00 0.00 1.57 -1.44 -3.44 116.57 113.79 2j02 h LYS 68 Ca -0.00 -0.19 0.00 0.00 -1.87 0.00 0.00 60.65 58.59 2j02 h LYS 68 Cb 0.54 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.82 2j02 h LYS 68 CO 0.01 0.72 0.00 0.41 -0.57 0.00 0.00 179.45 180.02 2j02 n GLY 69 N -0.22 -0.36 1.72 3.86 0.00 -1.19 -4.93 105.19 104.07 2j02 n GLY 69 Ca -0.03 -1.74 -0.12 0.00 0.00 0.00 0.00 46.02 44.13 2j02 n GLY 69 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2j02 n SER 70 N -1.48 5.49 0.00 1.61 7.64 -1.26 -4.61 113.62 121.01 2j02 n SER 70 Ca 0.00 -2.85 0.00 0.00 1.01 0.00 0.00 58.87 57.03 2j02 n SER 70 Cb 0.00 -0.96 0.00 0.00 -1.01 0.00 0.00 64.21 62.24 2j02 n SER 70 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 2j02 n THR 71 N 0.41 0.00 -2.27 0.44 -1.04 -1.26 -5.04 114.28 105.52 2j02 n THR 71 Ca 0.23 0.00 -0.31 0.00 -2.04 0.00 0.00 64.05 61.93 2j02 n THR 71 Cb 0.66 0.00 -0.02 0.00 -1.82 0.00 0.00 70.33 69.15 2j02 n THR 71 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 2j02 s LEU 72 N 0.00 3.50 0.00 -4.42 1.43 -1.20 -5.01 118.68 112.98 2j02 s LEU 72 Ca 0.00 1.43 0.00 0.00 -1.03 0.00 0.00 54.13 54.53 2j02 s LEU 72 Cb 0.00 -4.40 0.00 0.00 0.03 0.00 0.00 46.19 41.82 2j02 s LEU 72 CO 0.00 -0.67 0.00 1.41 0.23 0.00 0.00 176.35 177.32 2j02 n HIS 73 N -2.02 0.00 0.00 0.29 8.25 -1.26 -3.88 115.22 116.61 2j02 n HIS 73 Ca 0.06 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.52 2j02 n HIS 73 Cb 0.54 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.65 2j02 n HIS 73 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2j02 n LYS 74 N 0.00 0.00 0.07 -0.41 4.76 -1.26 0.44 118.16 121.76 2j02 n LYS 74 Ca 0.00 0.00 -0.04 0.00 -2.87 0.00 0.00 58.31 55.40 2j02 n LYS 74 Cb 0.00 0.00 -0.07 0.00 -1.84 0.00 0.00 35.03 33.12 2j02 n LYS 74 CO 0.00 0.00 0.00 -0.91 -1.37 0.00 0.00 177.40 175.12 2j02 h ASN 75 N 0.00 0.00 -0.98 4.39 2.35 -1.99 -3.22 115.58 116.12 2j02 h ASN 75 Ca 0.00 0.00 0.35 0.00 -0.55 0.00 0.00 56.30 56.10 2j02 h ASN 75 Cb 0.00 0.00 -0.17 0.00 0.05 0.00 0.00 38.32 38.20 2j02 h ASN 75 CO 0.00 0.81 0.40 0.00 -1.65 0.00 0.00 177.43 176.98 2j02 h ALA 76 N 1.19 1.80 -1.19 -0.83 0.00 -1.93 2.08 119.26 120.39 2j02 h ALA 76 Ca -0.05 0.27 0.00 0.00 0.00 0.00 0.00 54.91 55.12 2j02 h ALA 76 Cb 1.66 0.35 0.00 0.00 0.00 0.00 0.00 17.79 19.80 2j02 h ALA 76 CO 0.10 -0.74 0.00 0.00 0.00 0.00 0.00 179.25 178.61 2j02 n ALA 77 N -2.51 -0.15 -0.08 0.00 0.00 0.17 -1.66 120.51 116.28 2j02 n ALA 77 Ca 0.32 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.69 2j02 n ALA 77 Cb 1.04 0.21 -0.00 0.00 0.00 0.00 0.00 19.45 20.70 2j02 n ALA 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2j02 h ALA 78 N -1.69 0.10 -0.95 0.00 0.00 0.14 -2.48 119.26 114.38 2j02 h ALA 78 Ca 0.00 0.12 0.19 0.00 0.00 0.00 0.00 54.91 55.22 2j02 h ALA 78 Cb 0.00 0.38 -0.18 0.00 0.00 0.00 0.00 17.79 17.99 2j02 h ALA 78 CO 0.00 -0.54 -0.25 -2.13 0.00 0.00 0.00 179.25 176.33 2j02 n ARG 79 N -5.33 -0.10 -0.33 0.00 0.63 0.64 0.18 116.66 112.35 2j02 n ARG 79 Ca 0.01 1.49 0.02 0.00 -0.92 0.00 0.00 57.85 58.44 2j02 n ARG 79 Cb 0.24 -2.22 0.19 0.00 0.45 0.00 0.00 32.46 31.13 2j02 n ARG 79 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2j02 h ARG 80 N 0.00 1.11 0.00 -0.14 2.47 -0.83 -2.74 114.38 114.25 2j02 h ARG 80 Ca 0.44 -0.07 -0.00 0.00 -1.26 0.00 0.00 59.98 59.09 2j02 h ARG 80 Cb 0.68 -0.25 -0.00 0.00 -1.65 0.00 0.00 29.97 28.75 2j02 h ARG 80 CO -0.98 0.74 -0.06 0.87 0.56 0.00 0.00 179.97 181.10 2j02 h LYS 81 N 1.15 0.00 0.00 0.04 1.57 0.12 -0.71 116.57 118.74 2j02 h LYS 81 Ca 0.39 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.17 2j02 h LYS 81 Cb 0.09 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.40 2j02 h LYS 81 CO -0.13 0.22 0.79 0.66 -0.57 0.00 0.00 179.45 180.42 2j02 h SER 82 N -1.00 0.00 0.00 0.86 4.64 0.20 0.11 113.55 118.35 2j02 h SER 82 Ca -0.01 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.20 2j02 h SER 82 Cb 0.27 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.34 2j02 h SER 82 CO -0.00 0.00 -1.15 0.54 -0.87 0.00 0.00 176.83 175.34 2j02 n ARG 83 N -2.03 0.33 0.00 4.77 1.74 -1.04 -4.12 116.66 116.32 2j02 n ARG 83 Ca -0.00 0.14 0.00 0.00 -0.77 0.00 0.00 57.85 57.22 2j02 n ARG 83 Cb 0.79 -1.06 0.00 0.00 -1.02 0.00 0.00 32.46 31.17 2j02 n ARG 83 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 2j02 n LEU 84 N -3.93 0.00 0.16 0.55 -0.00 0.32 0.50 117.00 114.61 2j02 n LEU 84 Ca -0.18 0.91 0.13 0.00 -0.00 0.00 0.00 56.01 56.86 2j02 n LEU 84 Cb 0.49 -0.41 0.57 0.00 -0.00 0.00 0.00 43.42 44.07 2j02 n LEU 84 CO 0.08 -0.41 0.88 0.00 -0.00 0.00 0.00 177.39 177.94 2j02 h MET 85 N 0.00 0.00 -0.42 1.96 -0.00 -1.71 -1.96 114.93 112.81 2j02 h MET 85 Ca 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 59.70 59.62 2j02 h MET 85 Cb 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 31.58 2j02 h MET 85 CO 0.00 0.00 -0.08 -0.09 -0.00 0.00 0.00 176.91 176.74 2j02 h ARG 86 N 0.00 0.72 0.05 -0.10 2.43 -0.05 -3.03 114.38 114.40 2j02 h ARG 86 Ca 0.00 -0.22 -0.09 0.00 -0.81 0.00 0.00 59.98 58.86 2j02 h ARG 86 Cb 0.29 -0.07 0.01 0.00 -0.42 0.00 0.00 29.97 29.78 2j02 h ARG 86 CO 0.00 0.79 -0.36 -0.22 -1.51 0.00 0.00 179.97 178.67 2j02 h LYS 87 N 0.66 0.16 -0.66 0.20 1.63 -0.14 -3.22 116.57 115.21 2j02 h LYS 87 Ca 0.12 -0.24 0.06 0.00 -0.85 0.00 0.00 60.65 59.74 2j02 h LYS 87 Cb 0.53 0.08 -0.08 0.00 -0.60 0.00 0.00 32.23 32.17 2j02 h LYS 87 CO 0.03 1.06 -0.39 0.28 -3.45 0.00 0.00 179.45 176.98 2j02 n VAL 88 N -4.41 -0.45 -0.20 2.00 0.31 -1.03 0.34 118.33 114.89 2j02 n VAL 88 Ca -0.11 2.09 -0.00 0.00 -0.01 0.00 0.00 64.34 66.30 2j02 n VAL 88 Cb 0.61 -2.62 0.08 0.00 -0.91 0.00 0.00 33.84 30.99 2j02 n VAL 88 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 2j02 h ARG 89 N 0.00 0.06 -0.91 5.55 2.43 -1.67 0.33 114.38 120.17 2j02 h ARG 89 Ca 0.11 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.27 2j02 h ARG 89 Cb 0.27 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.81 2j02 h ARG 89 CO -0.62 0.04 0.00 1.04 -1.51 0.00 0.00 179.97 178.92 2j02 n GLN 90 N -5.33 0.70 0.00 0.20 6.02 0.15 -1.59 117.38 117.53 2j02 n GLN 90 Ca 0.08 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.07 2j02 n GLN 90 Cb 0.33 -1.28 0.00 0.00 1.02 0.00 0.00 30.24 30.31 2j02 n GLN 90 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 2j02 n LEU 91 N 0.33 0.00 -0.10 1.08 4.77 0.10 -4.72 117.00 118.46 2j02 n LEU 91 Ca 0.00 0.00 0.11 0.00 -0.03 0.00 0.00 56.01 56.09 2j02 n LEU 91 Cb 0.24 0.00 0.10 0.00 -2.33 0.00 0.00 43.42 41.42 2j02 n LEU 91 CO 0.00 0.00 0.28 0.18 -1.33 0.00 0.00 177.39 176.52 2j02 n LEU 92 N -0.66 0.95 0.00 2.23 4.77 -0.42 -3.65 117.00 120.21 2j02 n LEU 92 Ca 0.00 -0.31 0.06 0.00 -0.03 0.00 0.00 56.01 55.72 2j02 n LEU 92 Cb 0.07 -0.11 0.33 0.00 -2.33 0.00 0.00 43.42 41.38 2j02 n LEU 92 CO 0.00 0.21 0.61 -1.84 -1.33 0.00 0.00 177.39 175.04 2j02 n GLU 93 N -1.20 0.72 -1.53 3.23 0.00 -0.62 -2.21 120.64 119.04 2j02 n GLU 93 Ca 0.06 0.00 -0.33 0.00 0.00 0.00 0.00 57.16 56.90 2j02 n GLU 93 Cb 0.35 -1.24 0.03 0.00 0.00 0.00 0.00 31.44 30.58 2j02 n GLU 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2j02 n ALA 94 N -0.74 6.27 0.00 -1.84 0.00 -1.24 -4.87 120.51 118.10 2j02 n ALA 94 Ca 0.08 -3.38 0.00 0.00 0.00 0.00 0.00 53.44 50.15 2j02 n ALA 94 Cb 0.04 -1.89 0.00 0.00 0.00 0.00 0.00 19.45 17.60 2j02 n ALA 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2j02 n ALA 95 N -0.21 0.00 -0.02 0.00 0.00 -1.20 -4.96 120.51 114.12 2j02 n ALA 95 Ca 0.52 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.95 2j02 n ALA 95 Cb 0.47 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.91 2j02 n ALA 95 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2j02 n GLY 96 N 0.00 -0.15 1.26 0.00 0.00 -1.16 -4.93 105.19 100.21 2j02 n GLY 96 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.09 2j02 n GLY 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2j02 n ALA 97 N -3.89 -2.34 -0.04 4.61 0.00 -0.94 -4.43 120.51 113.49 2j02 n ALA 97 Ca 0.00 0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.76 2j02 n ALA 97 Cb 0.01 -1.15 0.00 0.00 0.00 0.00 0.00 19.45 18.32 2j02 n ALA 97 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2j02 n PRO 98 N 0.16 0.00 -0.01 0.00 -0.02 -1.26 -4.52 135.00 129.35 2j02 n PRO 98 Ca 0.00 -0.28 0.15 0.00 -2.02 0.00 0.00 63.50 61.35 2j02 n PRO 98 Cb 0.00 -1.70 0.60 0.00 -0.02 0.00 0.00 33.50 32.38 2j02 n PRO 98 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 2j02 h LEU 99 N 8.02 0.17 -8.43 2.45 3.38 -1.95 -3.37 115.31 115.58 2j02 h LEU 99 Ca 0.00 0.00 -0.71 0.00 0.09 0.00 0.00 57.88 57.26 2j02 h LEU 99 Cb 0.00 -0.03 -0.23 0.00 0.09 0.00 0.00 40.66 40.49 2j02 h LEU 99 CO 0.72 0.10 -0.47 -0.63 0.09 0.00 0.00 178.44 178.25 2j02 s ILE 100 N -5.19 4.92 -0.71 1.22 1.09 -1.26 -5.01 121.20 116.25 2j02 s ILE 100 Ca -0.06 -0.77 -0.28 0.00 -1.10 0.00 0.00 60.65 58.44 2j02 s ILE 100 Cb 0.19 -3.75 -0.14 0.00 -1.06 0.00 0.00 42.46 37.71 2j02 s ILE 100 CO 0.73 -0.28 2.54 0.61 -0.10 0.00 0.00 174.94 178.44 2j02 n GLY 101 N 5.08 -0.11 0.00 6.18 0.00 -1.26 -4.86 105.19 110.22 2j02 n GLY 101 Ca -0.11 0.88 0.00 0.00 0.00 0.00 0.00 46.02 46.78 2j02 n GLY 101 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2j02 n GLY 102 N 6.23 5.47 0.20 -0.02 0.00 -1.26 -5.02 105.19 110.78 2j02 n GLY 102 Ca 0.50 -1.89 -0.09 0.00 0.00 0.00 0.00 46.02 44.53 2j02 n GLY 102 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2j02 h GLY 103 N 0.00 -0.08 -2.62 -0.02 0.00 -1.89 -3.42 103.07 95.04 2j02 h GLY 103 Ca 0.00 0.18 -0.54 0.00 0.00 0.00 0.00 47.33 46.97 2j02 h GLY 103 CO 0.00 -0.15 0.56 -2.27 0.00 0.00 0.00 176.54 174.68 2j02 s LEU 104 N -10.41 3.83 -0.03 3.11 0.20 -1.26 -5.03 118.68 109.08 2j02 s LEU 104 Ca -0.14 2.63 0.07 0.00 0.69 0.00 0.00 54.13 57.38 2j02 s LEU 104 Cb 0.10 -4.34 -0.02 0.00 -0.43 0.00 0.00 46.19 41.50 2j02 s LEU 104 CO 0.68 -1.52 -0.25 -0.94 -0.29 0.00 0.00 176.35 174.03 2j02 s SER 105 N -1.14 3.13 0.00 3.68 1.04 -1.26 -4.95 113.70 114.20 2j02 s SER 105 Ca 0.72 -0.46 0.00 0.00 0.48 0.00 0.00 55.95 56.69 2j02 s SER 105 Cb -0.37 -0.53 0.00 0.00 0.10 0.00 0.00 66.02 65.22 2j02 s SER 105 CO 0.43 0.30 0.42 0.00 0.98 0.00 0.00 173.24 175.37