#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2j28 s PHE 2 N 0.00 3.92 -0.24 1.12 0.08 -1.26 -4.97 117.98 116.63 2j28 s PHE 2 Ca 0.00 1.77 0.01 0.00 0.12 0.00 0.00 56.93 58.84 2j28 s PHE 2 Cb 0.00 -2.91 0.06 0.00 -0.57 0.00 0.00 43.02 39.60 2j28 s PHE 2 CO 0.00 0.43 -0.08 0.99 -0.10 0.00 0.00 175.22 176.46 2j28 s THR 3 N -0.92 1.75 -0.22 0.64 2.01 -1.26 -1.07 115.64 116.57 2j28 s THR 3 Ca 0.40 -1.33 -0.03 0.00 0.31 0.00 0.00 61.69 61.04 2j28 s THR 3 Cb -0.24 -1.94 0.00 0.00 0.01 0.00 0.00 72.50 70.32 2j28 s THR 3 CO 0.29 -0.04 -0.07 -0.63 -0.69 0.00 0.00 174.62 173.48 2j28 s ILE 4 N 1.30 3.12 0.36 1.82 1.09 -0.56 -4.95 121.20 123.38 2j28 s ILE 4 Ca -0.06 -0.64 -0.20 0.00 -1.10 0.00 0.00 60.65 58.65 2j28 s ILE 4 Cb -0.19 -2.44 -0.10 0.00 -1.06 0.00 0.00 42.46 38.67 2j28 s ILE 4 CO -0.06 0.40 0.86 0.21 -0.10 0.00 0.00 174.94 176.25 2j28 s ASN 5 N 1.43 6.96 0.07 3.58 3.84 -1.26 0.08 114.94 129.65 2j28 s ASN 5 Ca 0.05 1.55 -0.12 0.00 0.21 0.00 0.00 52.86 54.55 2j28 s ASN 5 Cb -0.14 -2.48 0.04 0.00 -0.55 0.00 0.00 41.25 38.12 2j28 s ASN 5 CO -0.05 -0.23 0.58 0.00 -2.79 0.00 0.00 177.10 174.62 2j28 n ALA 6 N -0.24 -1.55 -3.45 1.71 0.00 -0.50 -4.25 120.51 112.24 2j28 n ALA 6 Ca 0.04 -0.52 -0.11 0.00 0.00 0.00 0.00 53.44 52.85 2j28 n ALA 6 Cb 0.53 0.26 -0.02 0.00 0.00 0.00 0.00 19.45 20.21 2j28 n ALA 6 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 2j28 s GLU 7 N -2.02 1.14 1.00 0.00 1.03 -1.26 -3.20 118.70 115.38 2j28 s GLU 7 Ca 0.13 -0.39 -0.12 0.00 0.03 0.00 0.00 54.97 54.62 2j28 s GLU 7 Cb -0.01 0.52 0.14 0.00 -0.80 0.00 0.00 34.13 33.99 2j28 s GLU 7 CO 0.02 -0.49 0.82 1.33 -1.33 0.00 0.00 175.26 175.61 2j28 n VAL 8 N -0.28 0.00 -3.21 1.83 0.24 -1.26 -0.37 118.33 115.28 2j28 n VAL 8 Ca -0.15 -0.16 -0.27 0.00 -2.04 0.00 0.00 64.34 61.72 2j28 n VAL 8 Cb 0.64 -0.86 -0.02 0.00 -1.47 0.00 0.00 33.84 32.13 2j28 n VAL 8 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 2j28 s ARG 9 N -4.22 3.57 -0.14 7.34 0.52 0.47 -4.49 118.95 121.99 2j28 s ARG 9 Ca 0.64 -0.07 -0.22 0.00 -0.52 0.00 0.00 55.73 55.56 2j28 s ARG 9 Cb -0.22 -2.60 -0.25 0.00 0.52 0.00 0.00 34.95 32.41 2j28 s ARG 9 CO 0.63 0.11 0.55 0.87 0.02 0.00 0.00 175.30 177.47 2j28 h LYS 10 N 1.07 0.10 0.00 3.54 6.56 -1.95 -3.49 116.57 122.40 2j28 h LYS 10 Ca -0.48 -0.17 0.00 0.00 -1.06 0.00 0.00 60.65 58.94 2j28 h LYS 10 Cb 1.20 0.06 0.00 0.00 -0.57 0.00 0.00 32.23 32.93 2j28 h LYS 10 CO 0.63 1.08 0.00 0.39 -2.06 0.00 0.00 179.45 179.50 2j28 n GLU 11 N -4.30 1.87 -3.08 3.15 1.02 -1.26 -5.16 120.64 112.88 2j28 n GLU 11 Ca -0.22 0.00 0.05 0.00 -0.02 0.00 0.00 57.16 56.97 2j28 n GLU 11 Cb 0.70 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.12 2j28 n GLU 11 CO 0.00 0.00 0.00 1.14 1.18 0.00 0.00 177.13 179.45 2j28 s GLN 12 N 0.47 0.12 0.00 3.49 -2.07 -1.26 -4.90 119.66 115.51 2j28 s GLN 12 Ca 0.00 0.08 0.00 0.00 -1.82 0.00 0.00 55.36 53.62 2j28 s GLN 12 Cb 0.00 0.05 0.00 0.00 -1.09 0.00 0.00 33.01 31.97 2j28 s GLN 12 CO 0.00 -0.22 0.00 0.41 -1.32 0.00 0.00 175.29 174.16 2j28 n GLY 13 N 4.83 -1.23 0.00 2.60 0.00 -1.26 -4.98 105.19 105.15 2j28 n GLY 13 Ca 0.09 -0.89 0.00 0.00 0.00 0.00 0.00 46.02 45.22 2j28 n GLY 13 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2j28 n LYS 14 N 0.00 0.00 -0.34 1.61 4.81 -1.26 -1.44 118.16 121.53 2j28 n LYS 14 Ca 0.00 0.24 -0.01 0.00 -0.87 0.00 0.00 58.31 57.67 2j28 n LYS 14 Cb 0.00 -0.86 0.04 0.00 0.02 0.00 0.00 35.03 34.23 2j28 n LYS 14 CO 0.00 0.00 0.00 0.78 1.17 0.00 0.00 177.40 179.35 2j28 h GLY 15 N 0.00 0.10 0.00 3.14 0.00 -1.98 -1.85 103.07 102.47 2j28 h GLY 15 Ca 0.00 0.49 0.00 0.00 0.00 0.00 0.00 47.33 47.82 2j28 h GLY 15 CO 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 176.54 176.32 2j28 n ALA 16 N -3.42 -0.14 -0.11 3.60 0.00 -1.17 -1.70 120.51 117.59 2j28 n ALA 16 Ca 0.09 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.43 2j28 n ALA 16 Cb 0.40 0.20 -0.05 0.00 0.00 0.00 0.00 19.45 20.00 2j28 n ALA 16 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2j28 h SER 17 N 0.00 -1.44 -1.21 0.00 4.64 -1.11 0.19 113.55 114.63 2j28 h SER 17 Ca 0.00 0.21 0.35 0.00 -0.47 0.00 0.00 61.79 61.88 2j28 h SER 17 Cb 0.00 0.62 -0.07 0.00 -0.31 0.00 0.00 62.40 62.64 2j28 h SER 17 CO 0.00 -0.38 0.84 0.03 -0.87 0.00 0.00 176.83 176.45 2j28 h ARG 18 N -0.36 0.12 0.00 4.77 2.47 -1.34 0.53 114.38 120.57 2j28 h ARG 18 Ca 0.12 -0.01 -0.04 0.00 -1.26 0.00 0.00 59.98 58.79 2j28 h ARG 18 Cb 0.59 -0.03 -0.01 0.00 -1.65 0.00 0.00 29.97 28.88 2j28 h ARG 18 CO -0.55 0.08 -0.21 0.00 0.56 0.00 0.00 179.97 179.85 2j28 h ARG 19 N 0.12 0.00 0.00 0.04 3.08 -0.06 -3.05 114.38 114.51 2j28 h ARG 19 Ca 0.62 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.67 2j28 h ARG 19 Cb 2.18 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 32.23 2j28 h ARG 19 CO -0.13 0.21 -0.04 -0.07 -1.07 0.00 0.00 179.97 178.87 2j28 h LEU 20 N 0.00 0.00 -2.53 3.04 3.38 0.27 -3.32 115.31 116.16 2j28 h LEU 20 Ca -0.00 -0.26 0.01 0.00 0.09 0.00 0.00 57.88 57.72 2j28 h LEU 20 Cb 0.97 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.72 2j28 h LEU 20 CO 0.03 0.65 0.10 -0.09 0.09 0.00 0.00 178.44 179.22 2j28 h ARG 21 N -1.00 0.00 0.00 1.13 2.43 -1.40 0.43 114.38 115.98 2j28 h ARG 21 Ca -0.01 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 2j28 h ARG 21 Cb 0.30 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.85 2j28 h ARG 21 CO -0.00 0.00 0.00 0.00 -1.51 0.00 0.00 179.97 178.46 2j28 n ALA 22 N -2.18 2.26 -2.38 2.80 0.00 -1.15 -2.37 120.51 117.49 2j28 n ALA 22 Ca -0.02 -0.08 0.03 0.00 0.00 0.00 0.00 53.44 53.37 2j28 n ALA 22 Cb 0.18 -1.22 0.01 0.00 0.00 0.00 0.00 19.45 18.43 2j28 n ALA 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2j28 n ALA 23 N -0.81 2.40 -3.06 0.00 0.00 0.15 -5.00 120.51 114.19 2j28 n ALA 23 Ca 0.10 -1.98 -0.13 0.00 0.00 0.00 0.00 53.44 51.43 2j28 n ALA 23 Cb 0.05 -0.66 0.07 0.00 0.00 0.00 0.00 19.45 18.90 2j28 n ALA 23 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2j28 n ASN 24 N 0.38 -2.13 -2.95 0.00 3.02 -1.00 -4.92 115.26 107.65 2j28 n ASN 24 Ca 0.03 -0.47 -0.14 0.00 -0.03 0.00 0.00 54.58 53.97 2j28 n ASN 24 Cb 1.04 -3.97 0.02 0.00 -0.61 0.00 0.00 39.78 36.26 2j28 n ASN 24 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 2j28 n LYS 25 N -3.33 0.94 -1.90 3.52 4.81 -0.88 -0.74 118.16 120.59 2j28 n LYS 25 Ca -0.21 -2.57 -0.42 0.00 -0.87 0.00 0.00 58.31 54.23 2j28 n LYS 25 Cb 0.63 -1.35 -0.03 0.00 0.02 0.00 0.00 35.03 34.30 2j28 n LYS 25 CO 0.00 0.00 0.00 -0.59 1.17 0.00 0.00 177.40 177.98 2j28 s PHE 26 N -0.82 2.52 0.06 5.64 -0.12 -1.24 -3.00 117.98 121.02 2j28 s PHE 26 Ca 0.31 0.34 -0.31 0.00 -0.05 0.00 0.00 56.93 57.22 2j28 s PHE 26 Cb 0.29 -3.99 -0.06 0.00 -0.63 0.00 0.00 43.02 38.64 2j28 s PHE 26 CO -0.09 -3.92 1.21 -1.25 -0.05 0.00 0.00 175.22 171.12 2j28 s PRO 27 N 2.32 4.42 0.51 1.99 0.04 -1.26 -3.50 135.00 139.52 2j28 s PRO 27 Ca 0.74 1.79 0.03 0.00 0.04 0.00 0.00 61.00 63.60 2j28 s PRO 27 Cb -0.42 -3.35 -0.00 0.00 0.04 0.00 0.00 34.50 30.77 2j28 s PRO 27 CO 0.33 -0.28 0.13 0.00 0.04 0.00 0.00 177.00 177.21 2j28 s ALA 28 N 1.13 4.12 0.21 8.56 0.00 -0.98 -3.84 121.76 130.96 2j28 s ALA 28 Ca 0.59 -0.84 0.03 0.00 0.00 0.00 0.00 51.96 51.74 2j28 s ALA 28 Cb -0.30 -0.21 -0.05 0.00 0.00 0.00 0.00 23.12 22.57 2j28 s ALA 28 CO 0.29 -0.16 -0.02 -1.50 0.00 0.00 0.00 175.76 174.37 2j28 s ILE 29 N -2.82 1.01 -0.23 0.00 1.10 -0.45 -2.39 121.20 117.43 2j28 s ILE 29 Ca 0.18 -2.03 -0.03 0.00 -0.51 0.00 0.00 60.65 58.25 2j28 s ILE 29 Cb 0.01 -2.23 0.12 0.00 0.15 0.00 0.00 42.46 40.51 2j28 s ILE 29 CO 0.10 -0.42 0.31 -0.63 -2.11 0.00 0.00 174.94 172.20 2j28 s ILE 30 N -3.44 -0.48 0.23 2.00 1.01 0.11 -1.04 121.20 119.59 2j28 s ILE 30 Ca 0.26 -0.10 0.00 0.00 0.00 0.00 0.00 60.65 60.81 2j28 s ILE 30 Cb 0.05 -0.76 -0.05 0.00 0.01 0.00 0.00 42.46 41.71 2j28 s ILE 30 CO 0.07 -0.16 0.10 -0.72 0.00 0.00 0.00 174.94 174.23 2j28 s TYR 31 N 2.45 1.38 0.00 3.97 -0.85 -0.43 -0.23 117.35 123.65 2j28 s TYR 31 Ca 0.10 -1.24 0.00 0.00 -0.52 0.00 0.00 57.07 55.41 2j28 s TYR 31 Cb -0.16 -0.77 0.00 0.00 0.38 0.00 0.00 41.96 41.42 2j28 s TYR 31 CO -0.15 -0.44 0.00 0.41 -1.52 0.00 0.00 175.55 173.86 2j28 n GLY 32 N -0.38 2.60 0.00 5.49 0.00 -1.26 0.64 105.19 112.27 2j28 n GLY 32 Ca 0.00 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 45.17 2j28 n GLY 32 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2j28 n GLY 33 N 0.00 0.22 0.00 -0.02 0.00 -1.26 -4.45 105.19 99.68 2j28 n GLY 33 Ca 0.00 -2.00 0.09 0.00 0.00 0.00 0.00 46.02 44.11 2j28 n GLY 33 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2j28 n LYS 34 N 0.00 0.65 -2.39 1.61 4.81 -1.26 -4.94 118.16 116.65 2j28 n LYS 34 Ca 0.00 -0.07 -0.42 0.00 -0.87 0.00 0.00 58.31 56.95 2j28 n LYS 34 Cb 0.00 -1.43 -0.03 0.00 0.02 0.00 0.00 35.03 33.59 2j28 n LYS 34 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 2j28 s GLU 35 N -3.02 4.43 0.39 1.64 0.41 -1.26 -4.98 118.70 116.31 2j28 s GLU 35 Ca 0.02 1.81 -0.26 0.00 -0.41 0.00 0.00 54.97 56.13 2j28 s GLU 35 Cb 0.14 -3.32 -0.11 0.00 -1.78 0.00 0.00 34.13 29.06 2j28 s GLU 35 CO 0.80 -0.26 1.29 0.00 -0.49 0.00 0.00 175.26 176.60 2j28 n ALA 36 N 3.78 1.36 -1.50 5.21 0.00 -1.26 -4.61 120.51 123.49 2j28 n ALA 36 Ca 0.09 0.30 -0.42 0.00 0.00 0.00 0.00 53.44 53.40 2j28 n ALA 36 Cb 0.46 -2.27 0.00 0.00 0.00 0.00 0.00 19.45 17.64 2j28 n ALA 36 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2j28 n PRO 37 N 0.25 0.81 -4.55 0.00 -0.02 -1.26 -4.95 135.00 125.28 2j28 n PRO 37 Ca 0.06 0.29 -0.33 0.00 -2.02 0.00 0.00 63.50 61.49 2j28 n PRO 37 Cb 0.38 -1.64 -0.14 0.00 -0.02 0.00 0.00 33.50 32.08 2j28 n PRO 37 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2j28 s LEU 38 N 1.13 2.77 -0.33 2.45 2.96 0.68 -4.94 118.68 123.40 2j28 s LEU 38 Ca 0.63 -0.34 -0.06 0.00 -0.22 0.00 0.00 54.13 54.13 2j28 s LEU 38 Cb -0.63 -1.64 0.04 0.00 0.50 0.00 0.00 46.19 44.45 2j28 s LEU 38 CO 0.58 0.12 0.10 0.00 -1.32 0.00 0.00 176.35 175.83 2j28 s ALA 39 N 0.61 3.04 0.41 5.97 0.00 -1.26 -0.71 121.76 129.82 2j28 s ALA 39 Ca -0.06 -1.71 0.01 0.00 0.00 0.00 0.00 51.96 50.19 2j28 s ALA 39 Cb -0.15 -2.25 0.01 0.00 0.00 0.00 0.00 23.12 20.73 2j28 s ALA 39 CO 0.03 -1.29 0.06 0.44 0.00 0.00 0.00 175.76 175.00 2j28 n ILE 40 N 4.81 0.00 -3.36 0.00 -5.35 -1.00 -0.40 119.36 114.06 2j28 n ILE 40 Ca -0.13 -1.88 -0.26 0.00 -0.27 0.00 0.00 62.75 60.21 2j28 n ILE 40 Cb 0.45 0.29 -0.09 0.00 -1.74 0.00 0.00 39.64 38.54 2j28 n ILE 40 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 2j28 n GLU 41 N -1.11 0.59 -0.47 6.28 1.02 0.50 -2.32 120.64 125.13 2j28 n GLU 41 Ca -0.14 -3.35 -0.28 0.00 -0.02 0.00 0.00 57.16 53.37 2j28 n GLU 41 Cb 0.51 -1.58 0.26 0.00 -0.02 0.00 0.00 31.44 30.61 2j28 n GLU 41 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2j28 n LEU 42 N 2.19 -1.51 -4.55 -4.62 4.77 -1.23 -4.44 117.00 107.62 2j28 n LEU 42 Ca 0.26 -0.17 -0.42 0.00 -0.03 0.00 0.00 56.01 55.65 2j28 n LEU 42 Cb 0.48 -1.26 -0.07 0.00 -2.33 0.00 0.00 43.42 40.24 2j28 n LEU 42 CO 0.14 -3.31 0.29 -0.62 -1.33 0.00 0.00 177.39 172.56 2j28 s ASP 43 N -2.40 6.33 0.00 -1.43 2.15 -1.26 -3.67 116.67 116.40 2j28 s ASP 43 Ca 0.69 -0.11 0.00 0.00 0.43 0.00 0.00 52.55 53.55 2j28 s ASP 43 Cb -0.26 -2.29 0.00 0.00 -0.30 0.00 0.00 42.92 40.07 2j28 s ASP 43 CO 0.65 -0.58 0.87 1.57 -0.17 0.00 0.00 175.17 177.51 2j28 n HIS 44 N 5.92 0.00 0.00 -5.34 -0.00 0.09 -1.69 115.22 114.19 2j28 n HIS 44 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.69 2j28 n HIS 44 Cb 0.48 -0.37 0.00 0.00 -0.00 0.00 0.00 29.99 30.11 2j28 n HIS 44 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 176.34 175.94 2j28 n ASP 45 N -1.86 0.00 0.00 0.26 5.75 -1.26 -0.47 116.55 118.96 2j28 n ASP 45 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 2j28 n ASP 45 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 2j28 n ASP 45 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2j28 n LYS 46 N 0.59 4.08 -0.09 0.11 4.01 -1.04 -4.78 118.16 121.03 2j28 n LYS 46 Ca 0.00 0.00 -0.09 0.00 -0.51 0.00 0.00 58.31 57.71 2j28 n LYS 46 Cb 0.00 -0.52 -0.15 0.00 -0.51 0.00 0.00 35.03 33.85 2j28 n LYS 46 CO 0.00 0.00 0.00 0.28 -1.11 0.00 0.00 177.40 176.57 2j28 n VAL 47 N -0.32 1.26 0.21 -0.18 0.31 0.38 -3.97 118.33 116.03 2j28 n VAL 47 Ca 0.00 -0.79 0.07 0.00 -0.01 0.00 0.00 64.34 63.61 2j28 n VAL 47 Cb 0.00 -0.48 0.47 0.00 -0.91 0.00 0.00 33.84 32.92 2j28 n VAL 47 CO 0.00 0.00 0.00 -0.03 -1.32 0.00 0.00 176.83 175.48 2j28 h MET 48 N 0.00 0.00 0.00 5.55 1.85 -1.63 0.32 114.93 121.03 2j28 h MET 48 Ca -0.50 0.00 -0.15 0.00 -0.61 0.00 0.00 59.70 58.44 2j28 h MET 48 Cb 2.13 0.00 -0.02 0.00 0.43 0.00 0.00 31.60 34.14 2j28 h MET 48 CO 0.03 0.28 -0.74 -0.91 -0.40 0.00 0.00 176.91 175.17 2j28 h ASN 49 N 0.00 0.00 0.81 1.39 2.35 -1.81 -3.03 115.58 115.29 2j28 h ASN 49 Ca -0.00 0.00 -0.23 0.00 -0.55 0.00 0.00 56.30 55.51 2j28 h ASN 49 Cb 0.64 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.97 2j28 h ASN 49 CO 0.04 0.69 -1.28 -0.03 -1.65 0.00 0.00 177.43 175.20 2j28 h MET 50 N 0.00 0.00 0.00 0.81 4.05 -1.44 -3.14 114.93 115.21 2j28 h MET 50 Ca -0.02 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.40 2j28 h MET 50 Cb 1.54 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.34 2j28 h MET 50 CO 0.09 0.71 0.00 -0.56 0.23 0.00 0.00 176.91 177.38 2j28 h GLN 51 N 0.00 0.00 -0.65 0.39 -0.00 -0.44 -3.18 115.11 111.23 2j28 h GLN 51 Ca -0.13 0.00 0.19 0.00 -0.00 0.00 0.00 58.65 58.71 2j28 h GLN 51 Cb 1.83 0.00 -0.03 0.00 -0.00 0.00 0.00 27.48 29.28 2j28 h GLN 51 CO 0.10 0.00 1.02 0.00 -0.00 0.00 0.00 178.83 179.95 2j28 h ALA 52 N 2.03 2.54 -2.07 0.06 0.00 -1.47 -3.41 119.26 116.93 2j28 h ALA 52 Ca 0.00 -0.02 -0.45 0.00 0.00 0.00 0.00 54.91 54.44 2j28 h ALA 52 Cb 0.59 0.05 0.06 0.00 0.00 0.00 0.00 17.79 18.48 2j28 h ALA 52 CO 0.00 -1.36 0.09 0.15 0.00 0.00 0.00 179.25 178.13 2j28 s LYS 53 N -4.33 2.45 0.01 0.00 -0.14 -1.20 -4.99 119.74 111.53 2j28 s LYS 53 Ca -0.02 -0.50 0.22 0.00 -1.36 0.00 0.00 55.97 54.31 2j28 s LYS 53 Cb 0.10 -2.35 -0.07 0.00 -1.68 0.00 0.00 37.83 33.84 2j28 s LYS 53 CO 0.35 -0.91 0.94 0.00 -0.76 0.00 0.00 175.35 174.98 2j28 n ALA 54 N -2.59 3.91 -0.03 5.17 0.00 -1.26 -3.93 120.51 121.78 2j28 n ALA 54 Ca 0.07 -0.49 -0.10 0.00 0.00 0.00 0.00 53.44 52.92 2j28 n ALA 54 Cb 0.60 -0.87 0.04 0.00 0.00 0.00 0.00 19.45 19.22 2j28 n ALA 54 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2j28 h GLU 55 N 0.00 0.66 -1.10 0.00 4.39 -1.94 -3.24 114.58 113.35 2j28 h GLU 55 Ca 0.00 -0.38 0.35 0.00 0.34 0.00 0.00 59.36 59.67 2j28 h GLU 55 Cb 0.64 0.03 -0.14 0.00 -0.10 0.00 0.00 28.75 29.19 2j28 h GLU 55 CO 0.00 1.00 0.67 0.35 -1.16 0.00 0.00 179.01 179.86 2j28 h PHE 56 N 0.52 0.76 -0.96 4.33 3.57 -1.85 -0.35 116.94 122.97 2j28 h PHE 56 Ca 0.03 0.03 -0.65 0.00 3.53 0.00 0.00 57.97 60.91 2j28 h PHE 56 Cb 1.03 -0.20 -0.32 0.00 2.79 0.00 0.00 35.95 39.25 2j28 h PHE 56 CO 0.05 -0.16 0.47 0.66 -2.23 0.00 0.00 178.31 177.10 2j28 n TYR 57 N -4.89 3.12 0.02 0.41 4.02 -1.22 -4.50 117.16 114.13 2j28 n TYR 57 Ca 0.33 -2.83 0.00 0.00 -0.01 0.00 0.00 57.90 55.38 2j28 n TYR 57 Cb 1.11 -1.18 0.00 0.00 -0.02 0.00 0.00 39.34 39.25 2j28 n TYR 57 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 2j28 n SER 58 N -0.86 -0.14 -4.75 7.72 2.88 -0.18 -4.99 113.62 113.30 2j28 n SER 58 Ca 0.58 0.09 -0.40 0.00 -1.33 0.00 0.00 58.87 57.80 2j28 n SER 58 Cb 0.73 0.24 -0.05 0.00 -0.75 0.00 0.00 64.21 64.38 2j28 n SER 58 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 2j28 s GLU 59 N -1.14 4.73 1.00 -1.46 2.02 -0.98 -5.02 118.70 117.84 2j28 s GLU 59 Ca 0.00 1.65 -0.12 0.00 0.02 0.00 0.00 54.97 56.52 2j28 s GLU 59 Cb 0.00 -3.25 0.15 0.00 0.10 0.00 0.00 34.13 31.13 2j28 s GLU 59 CO 0.00 0.32 0.84 1.33 0.02 0.00 0.00 175.26 177.77 2j28 n VAL 60 N 1.53 0.00 -4.48 2.63 0.24 -1.26 -4.79 118.33 112.20 2j28 n VAL 60 Ca -0.01 -0.16 -0.23 0.00 -2.04 0.00 0.00 64.34 61.90 2j28 n VAL 60 Cb 0.46 -0.87 -0.11 0.00 -1.47 0.00 0.00 33.84 31.86 2j28 n VAL 60 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 2j28 s LEU 61 N -4.89 2.35 -0.30 1.34 1.43 0.16 -4.45 118.68 114.32 2j28 s LEU 61 Ca 0.64 -1.35 0.01 0.00 -1.03 0.00 0.00 54.13 52.40 2j28 s LEU 61 Cb -0.22 -0.51 0.09 0.00 0.03 0.00 0.00 46.19 45.58 2j28 s LEU 61 CO 0.63 -0.54 0.05 0.42 0.23 0.00 0.00 176.35 177.13 2j28 s THR 62 N -3.16 1.44 -0.39 5.49 -4.23 -0.23 -1.60 115.64 112.97 2j28 s THR 62 Ca 0.35 -1.62 -0.22 0.00 -1.18 0.00 0.00 61.69 59.02 2j28 s THR 62 Cb 0.08 -1.99 0.01 0.00 1.34 0.00 0.00 72.50 71.95 2j28 s THR 62 CO 0.15 -0.50 0.75 -0.63 -0.54 0.00 0.00 174.62 173.85 2j28 s ILE 63 N 1.36 4.75 -1.16 2.99 1.09 -1.25 -1.49 121.20 127.48 2j28 s ILE 63 Ca 0.06 0.67 -0.20 0.00 -1.10 0.00 0.00 60.65 60.08 2j28 s ILE 63 Cb -0.18 -4.21 0.06 0.00 -1.06 0.00 0.00 42.46 37.07 2j28 s ILE 63 CO -0.15 -0.49 1.59 -0.69 -0.10 0.00 0.00 174.94 175.10 2j28 s VAL 64 N 3.06 4.05 -0.17 2.92 1.01 0.11 -4.56 120.40 126.82 2j28 s VAL 64 Ca 0.29 -1.39 -0.07 0.00 0.00 0.00 0.00 61.98 60.82 2j28 s VAL 64 Cb -0.13 -5.12 -0.04 0.00 0.00 0.00 0.00 36.38 31.09 2j28 s VAL 64 CO 0.18 -1.97 0.05 0.54 0.00 0.00 0.00 175.10 173.89 2j28 s VAL 65 N 4.52 4.66 0.00 2.92 0.11 -1.25 -1.41 120.40 129.96 2j28 s VAL 65 Ca 0.50 -0.08 0.00 0.00 -2.93 0.00 0.00 61.98 59.47 2j28 s VAL 65 Cb 0.02 -3.09 0.00 0.00 -1.53 0.00 0.00 36.38 31.78 2j28 s VAL 65 CO -0.01 0.48 0.00 -0.67 -3.33 0.00 0.00 175.10 171.57 2j28 n ASP 66 N 3.43 0.00 0.00 3.54 4.64 -1.19 -1.06 116.55 125.91 2j28 n ASP 66 Ca -0.17 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.24 2j28 n ASP 66 Cb 0.52 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.60 2j28 n ASP 66 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 2j28 n GLY 67 N 0.00 -0.64 0.00 0.27 0.00 -1.26 -5.15 105.19 98.41 2j28 n GLY 67 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2j28 n GLY 67 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2j28 n LYS 68 N 0.00 1.90 -4.42 1.61 4.76 -0.22 -5.12 118.16 116.67 2j28 n LYS 68 Ca 0.00 0.00 -0.21 0.00 -2.87 0.00 0.00 58.31 55.23 2j28 n LYS 68 Cb 0.00 0.00 -0.10 0.00 -1.84 0.00 0.00 35.03 33.09 2j28 n LYS 68 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 2j28 s GLU 69 N 0.86 1.68 0.00 1.97 2.56 -1.26 -4.31 118.70 120.20 2j28 s GLU 69 Ca 0.00 -1.96 0.00 0.00 0.00 0.00 0.00 54.97 53.01 2j28 s GLU 69 Cb 0.00 -0.52 0.00 0.00 2.00 0.00 0.00 34.13 35.61 2j28 s GLU 69 CO 0.00 -0.35 0.00 0.44 -0.56 0.00 0.00 175.26 174.79 2j28 n ILE 70 N -0.69 0.00 -2.88 -3.70 -6.64 -1.26 -5.00 119.36 99.19 2j28 n ILE 70 Ca -0.02 0.00 -0.01 0.00 -1.77 0.00 0.00 62.75 60.94 2j28 n ILE 70 Cb 0.66 0.00 0.00 0.00 -1.44 0.00 0.00 39.64 38.86 2j28 n ILE 70 CO 0.00 0.00 0.00 0.29 -1.77 0.00 0.00 176.55 175.07 2j28 n LYS 71 N -1.83 -2.47 -1.25 6.28 4.76 -1.24 -4.60 118.16 117.81 2j28 n LYS 71 Ca 0.00 2.14 0.00 0.00 -2.87 0.00 0.00 58.31 57.58 2j28 n LYS 71 Cb 0.00 -4.03 0.00 0.00 -1.84 0.00 0.00 35.03 29.16 2j28 n LYS 71 CO 0.00 0.00 0.00 1.33 -1.37 0.00 0.00 177.40 177.36 2j28 n VAL 72 N 0.82 0.00 -4.09 -0.18 0.24 -0.63 -3.83 118.33 110.66 2j28 n VAL 72 Ca 0.00 0.00 -0.09 0.00 -2.04 0.00 0.00 64.34 62.21 2j28 n VAL 72 Cb 0.19 0.00 -0.09 0.00 -1.47 0.00 0.00 33.84 32.46 2j28 n VAL 72 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 2j28 s LYS 73 N -0.87 0.97 -0.11 7.34 1.02 -0.62 0.37 119.74 127.85 2j28 s LYS 73 Ca 0.00 -1.34 -0.21 0.00 0.02 0.00 0.00 55.97 54.44 2j28 s LYS 73 Cb 0.00 0.28 -0.04 0.00 -0.52 0.00 0.00 37.83 37.55 2j28 s LYS 73 CO 0.00 -0.30 0.60 0.00 -0.92 0.00 0.00 175.35 174.73 2j28 s ALA 74 N -4.01 3.42 0.00 5.17 0.00 -1.26 -0.32 121.76 124.75 2j28 s ALA 74 Ca 0.21 -0.05 0.00 0.00 0.00 0.00 0.00 51.96 52.11 2j28 s ALA 74 Cb 0.06 -2.83 0.00 0.00 0.00 0.00 0.00 23.12 20.35 2j28 s ALA 74 CO 0.00 -0.12 0.00 0.94 0.00 0.00 0.00 175.76 176.58 2j28 n GLN 75 N 3.90 0.00 -2.84 0.00 -0.06 0.77 -4.82 117.38 114.33 2j28 n GLN 75 Ca -0.04 0.00 -0.31 0.00 -2.00 0.00 0.00 57.00 54.65 2j28 n GLN 75 Cb 0.51 0.00 -0.04 0.00 -4.06 0.00 0.00 30.24 26.65 2j28 n GLN 75 CO 0.00 0.00 0.00 0.34 -0.20 0.00 0.00 177.06 177.20 2j28 s ASP 76 N -0.49 6.65 -0.15 1.69 2.15 -1.25 -4.88 116.67 120.38 2j28 s ASP 76 Ca 0.00 1.31 -0.04 0.00 0.43 0.00 0.00 52.55 54.25 2j28 s ASP 76 Cb 0.00 -2.39 0.05 0.00 -0.30 0.00 0.00 42.92 40.28 2j28 s ASP 76 CO 0.00 -0.38 0.06 -0.69 -0.17 0.00 0.00 175.17 173.99 2j28 s VAL 77 N -2.29 0.14 -0.37 1.11 1.01 -1.26 -0.44 120.40 118.29 2j28 s VAL 77 Ca 0.54 -0.18 -0.16 0.00 0.00 0.00 0.00 61.98 62.18 2j28 s VAL 77 Cb -0.10 -0.66 0.00 0.00 0.00 0.00 0.00 36.38 35.62 2j28 s VAL 77 CO 0.26 -0.15 0.42 -1.10 0.00 0.00 0.00 175.10 174.53 2j28 s GLN 78 N 2.04 3.42 0.20 2.72 -0.21 0.50 -5.03 119.66 123.30 2j28 s GLN 78 Ca 0.02 -0.48 0.08 0.00 0.02 0.00 0.00 55.36 55.01 2j28 s GLN 78 Cb -0.15 -3.86 -0.04 0.00 1.00 0.00 0.00 33.01 29.95 2j28 s GLN 78 CO -0.08 -0.66 -0.04 -0.98 -2.12 0.00 0.00 175.29 171.42 2j28 s ARG 79 N 2.14 2.24 0.54 2.91 1.70 -1.26 0.10 118.95 127.31 2j28 s ARG 79 Ca 0.13 -1.24 -0.22 0.00 -0.47 0.00 0.00 55.73 53.93 2j28 s ARG 79 Cb -0.16 -2.24 -0.05 0.00 -0.57 0.00 0.00 34.95 31.93 2j28 s ARG 79 CO 0.13 0.43 1.34 -1.58 -1.08 0.00 0.00 175.30 174.53 2j28 s HIS 80 N -1.85 2.35 0.11 5.89 5.65 -1.16 -4.86 115.29 121.43 2j28 s HIS 80 Ca 0.27 1.39 -0.34 0.00 0.25 0.00 0.00 55.06 56.63 2j28 s HIS 80 Cb -0.08 -3.75 -0.13 0.00 -1.18 0.00 0.00 32.58 27.43 2j28 s HIS 80 CO 0.18 -2.74 1.55 -1.35 -0.65 0.00 0.00 174.74 171.73 2j28 h PRO 81 N 1.53 -0.60 0.00 2.88 0.11 -1.99 -3.37 132.00 130.57 2j28 h PRO 81 Ca -0.51 0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2j28 h PRO 81 Cb 1.29 0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.54 2j28 h PRO 81 CO 0.58 -0.40 -0.93 2.48 -0.21 0.00 0.00 178.00 179.52 2j28 n TYR 82 N -5.44 0.00 -2.89 0.65 0.18 -1.26 -5.02 117.16 103.37 2j28 n TYR 82 Ca -0.07 0.00 -0.40 0.00 1.88 0.00 0.00 57.90 59.31 2j28 n TYR 82 Cb 0.39 -0.05 -0.05 0.00 -0.38 0.00 0.00 39.34 39.25 2j28 n TYR 82 CO 0.00 0.00 0.00 0.15 -2.08 0.00 0.00 176.86 174.93 2j28 s LYS 83 N -2.00 4.60 0.55 -3.48 -0.14 -1.26 -4.90 119.74 113.11 2j28 s LYS 83 Ca -0.01 1.23 0.29 0.00 -1.36 0.00 0.00 55.97 56.13 2j28 s LYS 83 Cb 0.02 -3.33 1.59 0.00 -1.68 0.00 0.00 37.83 34.42 2j28 s LYS 83 CO 0.11 0.37 1.88 -1.35 -0.76 0.00 0.00 175.35 175.59 2j28 h PRO 84 N 5.13 0.00 -6.43 -1.68 0.11 -1.95 -3.38 132.00 123.80 2j28 h PRO 84 Ca -0.45 0.00 -0.54 0.00 0.11 0.00 0.00 66.00 65.12 2j28 h PRO 84 Cb 1.21 0.00 0.22 0.00 0.11 0.00 0.00 31.00 32.54 2j28 h PRO 84 CO 0.69 0.00 -1.09 1.63 -0.21 0.00 0.00 178.00 179.03 2j28 n LYS 85 N -2.69 -0.10 -4.46 1.05 4.76 -1.26 -4.87 118.16 110.59 2j28 n LYS 85 Ca -0.02 -0.00 -0.25 0.00 -2.87 0.00 0.00 58.31 55.17 2j28 n LYS 85 Cb 0.25 -1.48 -0.10 0.00 -1.84 0.00 0.00 35.03 31.86 2j28 n LYS 85 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2j28 s LEU 86 N 2.84 2.80 0.00 -0.35 1.43 -1.26 -2.97 118.68 121.16 2j28 s LEU 86 Ca 0.51 -1.08 0.00 0.00 -1.03 0.00 0.00 54.13 52.53 2j28 s LEU 86 Cb -0.23 -1.15 0.00 0.00 0.03 0.00 0.00 46.19 44.84 2j28 s LEU 86 CO 0.73 -0.15 0.00 0.00 0.23 0.00 0.00 176.35 177.15 2j28 n GLN 87 N -0.81 0.29 -0.87 1.70 6.02 0.11 -4.76 117.38 119.07 2j28 n GLN 87 Ca -0.05 0.00 -0.33 0.00 -0.01 0.00 0.00 57.00 56.61 2j28 n GLN 87 Cb 0.62 0.00 -0.04 0.00 1.02 0.00 0.00 30.24 31.84 2j28 n GLN 87 CO 0.00 0.00 0.00 1.58 -1.01 0.00 0.00 177.06 177.63 2j28 n HIS 88 N 0.00 0.20 -4.34 1.08 -0.00 -1.22 -4.45 115.22 106.49 2j28 n HIS 88 Ca 0.00 0.61 -0.26 0.00 -0.00 0.00 0.00 57.72 58.08 2j28 n HIS 88 Cb 0.00 -1.22 -0.17 0.00 -0.00 0.00 0.00 29.99 28.61 2j28 n HIS 88 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.34 176.76 2j28 s ILE 89 N -0.16 1.12 -0.01 3.57 -1.09 -1.25 -0.37 121.20 123.01 2j28 s ILE 89 Ca 0.50 -0.42 -0.20 0.00 -2.23 0.00 0.00 60.65 58.29 2j28 s ILE 89 Cb -0.70 -1.06 -0.05 0.00 -1.58 0.00 0.00 42.46 39.07 2j28 s ILE 89 CO 0.34 0.36 0.57 -1.81 -1.23 0.00 0.00 174.94 173.17 2j28 s ASP 90 N 1.04 6.94 -0.17 3.58 -0.00 0.41 -1.34 116.67 127.13 2j28 s ASP 90 Ca -0.07 1.12 0.01 0.00 -0.00 0.00 0.00 52.55 53.61 2j28 s ASP 90 Cb -0.15 -2.35 0.02 0.00 -0.00 0.00 0.00 42.92 40.45 2j28 s ASP 90 CO -0.01 0.11 -0.18 -0.36 -0.00 0.00 0.00 175.17 174.73 2j28 s PHE 91 N -0.19 2.61 -0.36 4.23 2.99 -0.21 -0.16 117.98 126.89 2j28 s PHE 91 Ca 0.30 -1.55 -0.23 0.00 0.00 0.00 0.00 56.93 55.45 2j28 s PHE 91 Cb -0.18 -1.82 0.01 0.00 0.00 0.00 0.00 43.02 41.03 2j28 s PHE 91 CO 0.16 -0.77 0.76 0.54 -0.00 0.00 0.00 175.22 175.91 2j28 s VAL 92 N 1.34 4.76 1.34 -0.44 0.11 0.56 -1.31 120.40 126.76 2j28 s VAL 92 Ca 0.04 0.84 -0.20 0.00 -2.93 0.00 0.00 61.98 59.73 2j28 s VAL 92 Cb -0.13 -4.19 0.34 0.00 -1.53 0.00 0.00 36.38 30.87 2j28 s VAL 92 CO -0.12 -0.41 0.97 -0.60 -3.33 0.00 0.00 175.10 171.61 2j28 s ARG 93 N 3.03 -2.28 0.00 1.54 3.52 0.21 -1.59 118.95 123.37 2j28 s ARG 93 Ca 0.30 0.28 0.24 0.00 -0.13 0.00 0.00 55.73 56.43 2j28 s ARG 93 Cb -0.13 -1.44 0.30 0.00 -1.56 0.00 0.00 34.95 32.11 2j28 s ARG 93 CO 0.16 -4.48 1.32 0.00 -0.81 0.00 0.00 175.30 171.49