#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2j28 s LEU 2 N 0.00 3.14 -0.31 -0.89 1.02 -1.26 -5.09 118.68 115.29 2j28 s LEU 2 Ca 0.00 0.47 -0.00 0.00 0.02 0.00 0.00 54.13 54.61 2j28 s LEU 2 Cb 0.00 -3.25 0.19 0.00 0.02 0.00 0.00 46.19 43.16 2j28 s LEU 2 CO 0.00 -1.22 0.77 -1.10 0.02 0.00 0.00 176.35 174.82 2j28 s GLN 3 N -5.00 0.43 0.44 1.70 -1.52 -1.26 -4.91 119.66 109.54 2j28 s GLN 3 Ca 0.56 0.31 0.13 0.00 -1.95 0.00 0.00 55.36 54.40 2j28 s GLN 3 Cb -0.11 0.16 0.97 0.00 -0.22 0.00 0.00 33.01 33.82 2j28 s GLN 3 CO 0.43 -0.76 2.00 -1.35 -0.25 0.00 0.00 175.29 175.36 2j28 h PRO 4 N 7.52 0.09 0.00 2.91 0.11 -1.98 -3.43 132.00 137.22 2j28 h PRO 4 Ca -0.03 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.06 2j28 h PRO 4 Cb 1.19 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.28 2j28 h PRO 4 CO 0.05 0.22 0.00 1.17 -0.21 0.00 0.00 178.00 179.23 2j28 n LYS 5 N -4.35 1.22 0.00 1.05 4.81 -1.26 -4.91 118.16 114.73 2j28 n LYS 5 Ca -0.02 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.42 2j28 n LYS 5 Cb 0.22 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.27 2j28 n LYS 5 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 2j28 n ARG 6 N 0.00 0.00 -3.66 1.64 3.00 -1.26 -4.85 116.66 111.53 2j28 n ARG 6 Ca 0.00 0.00 -0.23 0.00 -0.01 0.00 0.00 57.85 57.61 2j28 n ARG 6 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 32.46 32.47 2j28 n ARG 6 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.63 177.88 2j28 n THR 7 N 0.00 -5.09 -4.03 0.55 -2.24 -1.26 -4.97 114.28 97.24 2j28 n THR 7 Ca 0.00 -0.28 -0.14 0.00 -2.27 0.00 0.00 64.05 61.36 2j28 n THR 7 Cb 0.00 -3.91 -0.02 0.00 -2.10 0.00 0.00 70.33 64.29 2j28 n THR 7 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 2j28 s LYS 8 N -5.00 2.03 0.30 -0.78 2.20 -1.26 -5.15 119.74 112.07 2j28 s LYS 8 Ca 0.13 -1.73 -0.05 0.00 -0.36 0.00 0.00 55.97 53.97 2j28 s LYS 8 Cb -0.06 0.49 0.07 0.00 -1.51 0.00 0.00 37.83 36.81 2j28 s LYS 8 CO 0.87 -0.87 0.40 1.97 -0.36 0.00 0.00 175.35 177.36 2j28 n PHE 9 N -0.58 -3.91 -0.02 4.03 -1.74 -1.26 -5.01 117.46 108.97 2j28 n PHE 9 Ca -0.01 -0.39 -0.11 0.00 -0.56 0.00 0.00 57.45 56.38 2j28 n PHE 9 Cb 0.61 -0.31 -0.14 0.00 1.52 0.00 0.00 39.48 41.16 2j28 n PHE 9 CO 0.00 0.00 0.00 0.54 -0.56 0.00 0.00 176.76 176.74 2j28 n ARG 10 N -1.84 0.66 -0.65 3.97 1.74 -1.26 -4.99 116.66 114.29 2j28 n ARG 10 Ca 0.05 0.29 -0.14 0.00 -0.77 0.00 0.00 57.85 57.28 2j28 n ARG 10 Cb 0.18 -1.77 0.11 0.00 -1.02 0.00 0.00 32.46 29.95 2j28 n ARG 10 CO 0.00 0.00 0.00 0.36 -1.52 0.00 0.00 177.63 176.47 2j28 n LYS 11 N -3.14 -1.38 0.00 5.56 0.00 -1.26 -4.30 118.16 113.64 2j28 n LYS 11 Ca -0.20 -0.87 0.00 0.00 -0.00 0.00 0.00 58.31 57.24 2j28 n LYS 11 Cb 1.05 -0.70 0.00 0.00 -0.00 0.00 0.00 35.03 35.38 2j28 n LYS 11 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.40 176.07 2j28 n MET 12 N -2.71 0.00 0.00 -1.58 2.81 -1.26 -4.97 117.12 109.41 2j28 n MET 12 Ca 0.07 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.96 2j28 n MET 12 Cb 0.27 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.78 2j28 n MET 12 CO 0.00 0.00 0.00 0.72 1.51 0.00 0.00 175.97 178.20 2j28 n HIS 13 N 0.00 -0.17 -3.87 2.03 8.25 -1.26 -5.01 115.22 115.19 2j28 n HIS 13 Ca 0.00 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.37 2j28 n HIS 13 Cb 0.00 0.04 -0.08 0.00 1.12 0.00 0.00 29.99 31.07 2j28 n HIS 13 CO 0.00 0.00 0.00 -1.59 0.64 0.00 0.00 176.34 175.39 2j28 s LYS 14 N 0.00 0.74 0.00 -0.41 0.00 -1.26 -4.86 119.74 113.95 2j28 s LYS 14 Ca 0.00 -0.80 0.00 0.00 0.00 0.00 0.00 55.97 55.17 2j28 s LYS 14 Cb 0.00 0.30 0.00 0.00 0.00 0.00 0.00 37.83 38.13 2j28 s LYS 14 CO 0.00 -0.22 0.00 0.41 0.00 0.00 0.00 175.35 175.54 2j28 n GLY 15 N 0.37 -0.57 0.81 0.59 0.00 -1.26 -5.03 105.19 100.10 2j28 n GLY 15 Ca -0.17 -0.75 0.07 0.00 0.00 0.00 0.00 46.02 45.17 2j28 n GLY 15 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2j28 n ARG 16 N 0.00 -1.11 0.00 1.61 1.85 -1.26 -4.86 116.66 112.89 2j28 n ARG 16 Ca 0.00 0.83 0.00 0.00 -1.00 0.00 0.00 57.85 57.68 2j28 n ARG 16 Cb 0.00 -1.63 0.00 0.00 -1.05 0.00 0.00 32.46 29.78 2j28 n ARG 16 CO 0.00 0.00 0.00 0.27 -0.01 0.00 0.00 177.63 177.89 2j28 n ASN 17 N -4.15 0.00 0.00 2.89 2.04 -1.26 -4.94 115.26 109.84 2j28 n ASN 17 Ca -0.01 0.00 0.00 0.00 -0.44 0.00 0.00 54.58 54.13 2j28 n ASN 17 Cb 0.57 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.82 2j28 n ASN 17 CO 0.00 0.00 0.00 -2.11 -0.44 0.00 0.00 177.26 174.71 2j28 n ARG 18 N 0.00 3.73 0.00 -3.83 0.00 -1.26 -5.15 116.66 110.15 2j28 n ARG 18 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 2j28 n ARG 18 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 32.46 32.46 2j28 n ARG 18 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2j28 n GLY 19 N 5.00 3.54 1.45 2.89 0.00 -1.26 -5.16 105.19 111.65 2j28 n GLY 19 Ca 0.00 -1.88 -0.09 0.00 0.00 0.00 0.00 46.02 44.05 2j28 n GLY 19 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2j28 n LEU 20 N 0.00 0.00 0.00 0.99 4.32 -1.26 -5.15 117.00 115.90 2j28 n LEU 20 Ca 0.00 -1.43 0.00 0.00 -0.02 0.00 0.00 56.01 54.56 2j28 n LEU 20 Cb 0.00 0.75 0.00 0.00 -1.62 0.00 0.00 43.42 42.55 2j28 n LEU 20 CO 0.00 -0.24 0.00 0.00 -1.22 0.00 0.00 177.39 175.93 2j28 n ALA 21 N -1.97 0.00 -2.35 -1.18 0.00 -1.26 -5.17 120.51 108.58 2j28 n ALA 21 Ca -0.05 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.17 2j28 n ALA 21 Cb 0.27 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.73 2j28 n ALA 21 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2j28 s GLN 22 N 2.84 3.05 0.00 0.00 -0.21 -1.26 -5.00 119.66 119.08 2j28 s GLN 22 Ca 0.00 -0.70 0.00 0.00 0.02 0.00 0.00 55.36 54.68 2j28 s GLN 22 Cb 0.00 -2.65 0.00 0.00 1.00 0.00 0.00 33.01 31.36 2j28 s GLN 22 CO 0.00 -0.18 0.00 0.41 -2.12 0.00 0.00 175.29 173.40 2j28 n GLY 23 N -1.94 0.24 3.16 3.09 0.00 -1.26 -4.82 105.19 103.67 2j28 n GLY 23 Ca 0.01 -1.87 -0.08 0.00 0.00 0.00 0.00 46.02 44.08 2j28 n GLY 23 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2j28 s THR 24 N -0.03 0.17 -0.07 2.61 2.01 -1.26 -4.93 115.64 114.13 2j28 s THR 24 Ca 0.00 -1.36 -0.01 0.00 0.31 0.00 0.00 61.69 60.64 2j28 s THR 24 Cb 0.00 -1.34 0.03 0.00 0.01 0.00 0.00 72.50 71.19 2j28 s THR 24 CO 0.00 -0.75 -0.02 -0.62 -0.69 0.00 0.00 174.62 172.54 2j28 s ASP 25 N -2.79 1.53 0.00 3.53 2.15 -1.26 -3.49 116.67 116.34 2j28 s ASP 25 Ca 0.04 -0.13 0.00 0.00 0.43 0.00 0.00 52.55 52.89 2j28 s ASP 25 Cb 0.05 -0.51 0.00 0.00 -0.30 0.00 0.00 42.92 42.16 2j28 s ASP 25 CO -0.10 -0.14 0.00 0.52 -0.17 0.00 0.00 175.17 175.28 2j28 n VAL 26 N 4.83 0.00 -3.15 1.11 0.31 -1.26 -4.98 118.33 115.18 2j28 n VAL 26 Ca -0.13 0.00 0.06 0.00 -0.01 0.00 0.00 64.34 64.26 2j28 n VAL 26 Cb 0.50 -0.94 -0.02 0.00 -0.91 0.00 0.00 33.84 32.47 2j28 n VAL 26 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 2j28 s SER 27 N -0.94 -0.08 0.00 4.52 1.04 -1.26 -4.97 113.70 112.01 2j28 s SER 27 Ca 0.00 0.06 0.00 0.00 0.48 0.00 0.00 55.95 56.49 2j28 s SER 27 Cb 0.00 1.07 0.00 0.00 0.10 0.00 0.00 66.02 67.19 2j28 s SER 27 CO 0.00 -0.02 0.00 0.49 0.98 0.00 0.00 173.24 174.69 2j28 n PHE 28 N 5.34 0.00 -3.52 5.02 0.99 -1.26 -5.11 117.46 118.92 2j28 n PHE 28 Ca -0.09 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.36 2j28 n PHE 28 Cb 0.55 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 39.03 2j28 n PHE 28 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 2j28 n GLY 29 N 0.13 5.78 0.13 1.37 0.00 -1.26 -4.92 105.19 106.43 2j28 n GLY 29 Ca 0.00 -2.05 0.12 0.00 0.00 0.00 0.00 46.02 44.09 2j28 n GLY 29 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2j28 h SER 30 N 0.00 0.00 -3.61 1.61 0.02 0.19 -3.39 113.55 108.37 2j28 h SER 30 Ca 0.00 -0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 60.81 2j28 h SER 30 Cb 0.00 0.00 -0.26 0.00 0.14 0.00 0.00 62.40 62.28 2j28 h SER 30 CO 0.00 0.00 -0.33 0.12 -1.14 0.00 0.00 176.83 175.48 2j28 s PHE 31 N -3.33 -0.44 0.22 3.45 5.36 -1.25 -4.51 117.98 117.48 2j28 s PHE 31 Ca 0.01 1.02 0.09 0.00 -0.96 0.00 0.00 56.93 57.08 2j28 s PHE 31 Cb 0.09 0.16 -0.05 0.00 -0.34 0.00 0.00 43.02 42.88 2j28 s PHE 31 CO 0.77 -0.24 -0.16 0.20 -1.46 0.00 0.00 175.22 174.33 2j28 s GLY 32 N 0.67 1.51 -0.27 13.12 0.00 -1.23 0.04 107.32 121.16 2j28 s GLY 32 Ca -0.04 -1.69 0.01 0.00 0.00 0.00 0.00 44.72 43.00 2j28 s GLY 32 CO -0.04 -1.78 -0.00 -2.27 0.00 0.00 0.00 173.10 169.00 2j28 s LEU 33 N -3.32 3.04 0.14 0.66 1.98 -1.26 -4.06 118.68 115.86 2j28 s LEU 33 Ca 0.23 -1.49 0.03 0.00 -2.89 0.00 0.00 54.13 50.01 2j28 s LEU 33 Cb -0.02 -1.24 -0.04 0.00 0.66 0.00 0.00 46.19 45.56 2j28 s LEU 33 CO 0.08 -0.30 0.21 -0.75 -1.89 0.00 0.00 176.35 173.70 2j28 s LYS 34 N 1.31 3.23 0.21 1.98 2.20 -1.26 -2.95 119.74 124.46 2j28 s LYS 34 Ca 0.01 -0.67 0.07 0.00 -0.36 0.00 0.00 55.97 55.01 2j28 s LYS 34 Cb -0.19 -2.86 -0.04 0.00 -1.51 0.00 0.00 37.83 33.24 2j28 s LYS 34 CO -0.10 0.52 0.13 0.00 -0.36 0.00 0.00 175.35 175.55 2j28 s ALA 35 N -1.68 3.49 -0.25 3.13 0.00 -1.07 -2.98 121.76 122.40 2j28 s ALA 35 Ca 0.33 -1.37 -0.02 0.00 0.00 0.00 0.00 51.96 50.91 2j28 s ALA 35 Cb -0.11 -1.24 0.08 0.00 0.00 0.00 0.00 23.12 21.85 2j28 s ALA 35 CO 0.26 0.37 0.06 0.54 0.00 0.00 0.00 175.76 176.99 2j28 s VAL 36 N -1.98 0.70 0.00 0.00 0.11 0.93 -4.17 120.40 115.99 2j28 s VAL 36 Ca 0.31 -0.94 0.00 0.00 -2.93 0.00 0.00 61.98 58.43 2j28 s VAL 36 Cb -0.09 -1.33 0.00 0.00 -1.53 0.00 0.00 36.38 33.44 2j28 s VAL 36 CO 0.23 -0.41 0.00 0.61 -3.33 0.00 0.00 175.10 172.20 2j28 n GLY 37 N 4.96 3.80 3.65 6.54 0.00 -0.98 -4.29 105.19 118.86 2j28 n GLY 37 Ca -0.06 -1.15 -0.37 0.00 0.00 0.00 0.00 46.02 44.43 2j28 n GLY 37 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2j28 n ARG 38 N 0.00 0.93 -3.40 1.61 0.00 -1.17 -4.76 116.66 109.86 2j28 n ARG 38 Ca 0.00 0.36 0.00 0.00 -0.00 0.00 0.00 57.85 58.22 2j28 n ARG 38 Cb 0.00 -2.28 0.01 0.00 0.00 0.00 0.00 32.46 30.19 2j28 n ARG 38 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2j28 n GLY 39 N 1.18 0.49 3.32 5.14 0.00 -1.26 -4.94 105.19 109.12 2j28 n GLY 39 Ca 0.15 -1.03 -0.41 0.00 0.00 0.00 0.00 46.02 44.73 2j28 n GLY 39 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2j28 s ARG 40 N -2.02 2.72 -1.19 1.61 0.52 -1.26 -3.88 118.95 115.45 2j28 s ARG 40 Ca 0.21 -1.29 -0.06 0.00 -0.52 0.00 0.00 55.73 54.06 2j28 s ARG 40 Cb -0.01 -3.77 0.23 0.00 0.52 0.00 0.00 34.95 31.92 2j28 s ARG 40 CO 0.01 -0.85 1.74 -0.11 0.02 0.00 0.00 175.30 176.12 2j28 n LEU 41 N 4.97 6.68 -4.73 2.53 7.94 -1.26 -4.76 117.00 128.37 2j28 n LEU 41 Ca -0.11 -4.94 -0.37 0.00 -1.11 0.00 0.00 56.01 49.48 2j28 n LEU 41 Cb 0.44 -1.37 0.07 0.00 0.53 0.00 0.00 43.42 43.09 2j28 n LEU 41 CO 0.38 1.59 0.89 0.28 -1.11 0.00 0.00 177.39 179.42 2j28 s THR 42 N -1.28 2.10 0.23 1.96 -1.32 -1.26 -1.91 115.64 114.16 2j28 s THR 42 Ca 0.37 0.06 -0.15 0.00 -1.21 0.00 0.00 61.69 60.76 2j28 s THR 42 Cb 0.09 -3.01 0.28 0.00 -1.51 0.00 0.00 72.50 68.35 2j28 s THR 42 CO 0.04 -0.01 1.57 0.00 -2.21 0.00 0.00 174.62 174.00 2j28 h ALA 43 N 0.54 0.29 -0.70 11.08 0.00 -1.88 0.49 119.26 129.08 2j28 h ALA 43 Ca -0.51 0.28 0.08 0.00 0.00 0.00 0.00 54.91 54.77 2j28 h ALA 43 Cb 1.33 0.83 -0.07 0.00 0.00 0.00 0.00 17.79 19.89 2j28 h ALA 43 CO 0.53 -0.54 0.36 0.00 0.00 0.00 0.00 179.25 179.60 2j28 h ARG 44 N -0.03 0.62 0.53 0.00 3.08 -1.91 0.44 114.38 117.10 2j28 h ARG 44 Ca 0.36 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 60.34 2j28 h ARG 44 Cb 0.61 -0.14 0.01 0.00 0.08 0.00 0.00 29.97 30.53 2j28 h ARG 44 CO -0.90 0.41 -0.25 1.96 -1.07 0.00 0.00 179.97 180.11 2j28 h GLN 45 N 0.63 -0.68 -0.89 0.04 4.20 -0.48 -1.25 115.11 116.68 2j28 h GLN 45 Ca 0.33 0.05 0.07 0.00 0.06 0.00 0.00 58.65 59.16 2j28 h GLN 45 Cb 0.30 0.16 -0.07 0.00 0.30 0.00 0.00 27.48 28.17 2j28 h GLN 45 CO -0.24 -0.46 0.55 0.82 -0.67 0.00 0.00 178.83 178.84 2j28 h ILE 46 N -0.71 1.02 -0.18 2.54 1.08 -0.37 -1.02 117.51 119.88 2j28 h ILE 46 Ca -0.07 -0.34 -0.04 0.00 -0.39 0.00 0.00 64.86 64.02 2j28 h ILE 46 Cb 0.54 -0.05 -0.01 0.00 -3.07 0.00 0.00 36.82 34.24 2j28 h ILE 46 CO 0.12 0.18 -0.03 -0.33 -0.69 0.00 0.00 178.15 177.40 2j28 h GLU 47 N 0.98 0.34 -0.50 2.37 5.08 -0.83 -1.92 114.58 120.10 2j28 h GLU 47 Ca 0.40 -0.12 0.10 0.00 -1.00 0.00 0.00 59.36 58.73 2j28 h GLU 47 Cb 0.22 -0.02 -0.08 0.00 0.50 0.00 0.00 28.75 29.37 2j28 h GLU 47 CO -0.19 0.59 0.01 0.00 -1.00 0.00 0.00 179.01 178.42 2j28 h ALA 48 N 0.74 0.48 0.52 3.43 0.00 -0.70 0.27 119.26 124.00 2j28 h ALA 48 Ca 0.05 0.14 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 2j28 h ALA 48 Cb 0.46 0.24 0.01 0.00 0.00 0.00 0.00 17.79 18.49 2j28 h ALA 48 CO 0.02 -0.38 -0.25 0.00 0.00 0.00 0.00 179.25 178.64 2j28 h ALA 49 N 1.44 -1.13 -0.27 0.00 0.00 -1.09 -2.21 119.26 116.00 2j28 h ALA 49 Ca 0.25 -0.15 0.06 0.00 0.00 0.00 0.00 54.91 55.07 2j28 h ALA 49 Cb 0.38 0.27 -0.06 0.00 0.00 0.00 0.00 17.79 18.38 2j28 h ALA 49 CO -0.41 -1.07 -0.12 0.00 0.00 0.00 0.00 179.25 177.65 2j28 h ARG 50 N -0.74 -0.08 -0.30 0.00 2.47 -1.24 -0.92 114.38 113.57 2j28 h ARG 50 Ca -0.07 0.01 0.09 0.00 -1.26 0.00 0.00 59.98 58.74 2j28 h ARG 50 Cb 0.54 0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 28.86 2j28 h ARG 50 CO 0.12 -0.05 0.27 -0.09 0.56 0.00 0.00 179.97 180.78 2j28 h ARG 51 N -0.08 0.00 -0.00 0.04 2.43 -0.52 0.67 114.38 116.91 2j28 h ARG 51 Ca 0.14 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.31 2j28 h ARG 51 Cb 0.29 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.84 2j28 h ARG 51 CO -0.32 0.00 -0.04 0.00 -1.51 0.00 0.00 179.97 178.10 2j28 n ALA 52 N -2.45 2.61 0.13 2.80 0.00 -0.36 -4.01 120.51 119.23 2j28 n ALA 52 Ca 0.04 -0.19 -0.10 0.00 0.00 0.00 0.00 53.44 53.19 2j28 n ALA 52 Cb 0.43 -1.44 -0.06 0.00 0.00 0.00 0.00 19.45 18.37 2j28 n ALA 52 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 2j28 h MET 53 N 0.21 -0.38 -0.25 0.00 2.86 -0.76 -3.25 114.93 113.36 2j28 h MET 53 Ca 0.00 0.03 0.06 0.00 -2.06 0.00 0.00 59.70 57.72 2j28 h MET 53 Cb 0.28 0.09 -0.06 0.00 0.06 0.00 0.00 31.60 31.97 2j28 h MET 53 CO 0.00 -0.07 -0.11 1.79 1.06 0.00 0.00 176.91 179.58 2j28 h THR 54 N -0.97 0.64 -2.57 2.22 1.35 -1.73 -3.43 112.91 108.42 2j28 h THR 54 Ca -0.04 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.82 2j28 h THR 54 Cb 0.49 0.64 0.00 0.00 -1.73 0.00 0.00 68.15 67.55 2j28 h THR 54 CO 0.07 0.00 0.00 -1.14 -0.25 0.00 0.00 175.52 174.20 2j28 n ARG 55 N -5.28 0.00 -3.06 4.72 0.63 -1.23 0.25 116.66 112.69 2j28 n ARG 55 Ca -0.01 0.00 -0.15 0.00 -0.92 0.00 0.00 57.85 56.77 2j28 n ARG 55 Cb 0.20 0.00 -0.02 0.00 0.45 0.00 0.00 32.46 33.09 2j28 n ARG 55 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2j28 n ALA 56 N -0.11 -1.02 -1.85 5.13 0.00 -1.26 -4.85 120.51 116.56 2j28 n ALA 56 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2j28 n ALA 56 Cb 0.00 -1.60 0.00 0.00 0.00 0.00 0.00 19.45 17.85 2j28 n ALA 56 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2j28 n VAL 57 N -3.28 0.00 -3.64 0.00 0.31 0.68 -5.12 118.33 107.28 2j28 n VAL 57 Ca -0.01 0.00 -0.12 0.00 -0.01 0.00 0.00 64.34 64.20 2j28 n VAL 57 Cb 0.52 -0.27 -0.05 0.00 -0.91 0.00 0.00 33.84 33.13 2j28 n VAL 57 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 2j28 s LYS 58 N 0.31 0.99 -0.04 5.55 1.02 -1.25 -5.02 119.74 121.30 2j28 s LYS 58 Ca 0.00 -0.50 0.16 0.00 0.02 0.00 0.00 55.97 55.66 2j28 s LYS 58 Cb 0.00 0.44 0.54 0.00 -0.52 0.00 0.00 37.83 38.29 2j28 s LYS 58 CO 0.00 -0.36 1.44 -2.13 -0.92 0.00 0.00 175.35 173.37 2j28 n ARG 59 N 0.18 2.70 -1.56 1.68 0.63 -1.26 -4.78 116.66 114.25 2j28 n ARG 59 Ca -0.17 -2.17 -0.38 0.00 -0.92 0.00 0.00 57.85 54.21 2j28 n ARG 59 Cb 0.62 -1.59 0.05 0.00 0.45 0.00 0.00 32.46 31.99 2j28 n ARG 59 CO 0.00 0.00 0.00 0.94 -2.51 0.00 0.00 177.63 176.06 2j28 n GLN 60 N 1.06 0.74 0.00 -0.14 -0.06 -1.26 -4.69 117.38 113.03 2j28 n GLN 60 Ca 0.20 0.29 0.00 0.00 -2.00 0.00 0.00 57.00 55.49 2j28 n GLN 60 Cb 0.60 -2.03 0.00 0.00 -4.06 0.00 0.00 30.24 24.75 2j28 n GLN 60 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2j28 n GLY 61 N 1.44 1.33 3.60 1.69 0.00 -1.26 -4.79 105.19 107.20 2j28 n GLY 61 Ca 0.13 -0.46 -0.11 0.00 0.00 0.00 0.00 46.02 45.58 2j28 n GLY 61 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2j28 s LYS 62 N 0.00 0.75 0.48 1.61 -0.14 -1.26 -4.87 119.74 116.31 2j28 s LYS 62 Ca 0.00 1.05 -0.03 0.00 -1.36 0.00 0.00 55.97 55.63 2j28 s LYS 62 Cb 0.00 0.28 -0.01 0.00 -1.68 0.00 0.00 37.83 36.42 2j28 s LYS 62 CO 0.00 -0.12 0.75 0.96 -0.76 0.00 0.00 175.35 176.18 2j28 s ILE 63 N 0.87 4.35 0.00 2.17 -4.36 -1.26 -1.38 121.20 121.59 2j28 s ILE 63 Ca -0.04 -0.15 0.00 0.00 -0.26 0.00 0.00 60.65 60.20 2j28 s ILE 63 Cb -0.05 -3.65 0.00 0.00 1.25 0.00 0.00 42.46 40.01 2j28 s ILE 63 CO -0.07 -0.56 0.00 0.79 0.24 0.00 0.00 174.94 175.34 2j28 n TRP 64 N -2.22 0.00 0.00 1.37 7.02 -0.01 -4.98 117.44 118.62 2j28 n TRP 64 Ca 0.01 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.49 2j28 n TRP 64 Cb 0.57 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.46 2j28 n TRP 64 CO 0.00 0.00 0.00 1.51 -2.02 0.00 0.00 177.69 177.18 2j28 n ILE 65 N 0.00 0.00 0.03 -0.99 3.06 -1.24 -4.73 119.36 115.49 2j28 n ILE 65 Ca 0.00 0.00 0.05 0.00 -2.50 0.00 0.00 62.75 60.30 2j28 n ILE 65 Cb 0.00 0.00 -0.09 0.00 0.54 0.00 0.00 39.64 40.09 2j28 n ILE 65 CO 0.00 0.00 0.00 0.54 -2.50 0.00 0.00 176.55 174.59 2j28 n ARG 66 N 0.00 0.63 -2.91 9.51 5.12 -1.26 -4.92 116.66 122.83 2j28 n ARG 66 Ca 0.00 0.06 -0.36 0.00 -1.93 0.00 0.00 57.85 55.62 2j28 n ARG 66 Cb 0.00 -1.71 -0.06 0.00 -1.16 0.00 0.00 32.46 29.53 2j28 n ARG 66 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 2j28 s VAL 67 N -3.17 4.38 -0.28 1.55 1.01 -1.26 -5.02 120.40 117.61 2j28 s VAL 67 Ca -0.04 1.54 -0.04 0.00 0.00 0.00 0.00 61.98 63.44 2j28 s VAL 67 Cb 0.10 -3.86 0.16 0.00 0.00 0.00 0.00 36.38 32.78 2j28 s VAL 67 CO 0.83 0.04 0.55 0.12 0.00 0.00 0.00 175.10 176.65 2j28 s PHE 68 N -1.73 -1.34 0.62 5.22 2.19 -1.26 -5.10 117.98 116.58 2j28 s PHE 68 Ca 0.51 1.66 -0.17 0.00 0.33 0.00 0.00 56.93 59.25 2j28 s PHE 68 Cb -0.16 0.49 -0.08 0.00 -1.31 0.00 0.00 43.02 41.97 2j28 s PHE 68 CO 0.20 -0.78 0.48 -0.35 1.83 0.00 0.00 175.22 176.61 2j28 n PRO 69 N 5.42 0.42 -3.43 10.12 -0.04 -1.26 -4.90 135.00 141.32 2j28 n PRO 69 Ca -0.04 0.17 -0.28 0.00 -0.04 0.00 0.00 63.50 63.31 2j28 n PRO 69 Cb 0.50 -1.70 -0.11 0.00 -0.04 0.00 0.00 33.50 32.15 2j28 n PRO 69 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2j28 s ASP 70 N -1.25 2.08 0.00 3.54 1.01 -0.78 -4.89 116.67 116.38 2j28 s ASP 70 Ca 0.67 -2.76 0.00 0.00 0.71 0.00 0.00 52.55 51.16 2j28 s ASP 70 Cb -0.41 -0.46 0.00 0.00 1.01 0.00 0.00 42.92 43.06 2j28 s ASP 70 CO 0.56 -0.22 0.13 0.29 0.21 0.00 0.00 175.17 176.14 2j28 n LYS 71 N 3.26 0.00 -0.48 8.23 4.76 -1.26 -4.72 118.16 127.95 2j28 n LYS 71 Ca 0.23 0.13 0.00 0.00 -2.87 0.00 0.00 58.31 55.80 2j28 n LYS 71 Cb 0.43 -0.19 0.00 0.00 -1.84 0.00 0.00 35.03 33.43 2j28 n LYS 71 CO 0.00 0.00 0.00 -2.30 -1.37 0.00 0.00 177.40 173.73 2j28 n PRO 72 N -1.93 -0.17 -3.75 1.97 -0.02 -1.26 -4.47 135.00 125.38 2j28 n PRO 72 Ca 0.00 -0.03 -0.30 0.00 -2.02 0.00 0.00 63.50 61.15 2j28 n PRO 72 Cb 0.00 0.06 -0.15 0.00 -0.02 0.00 0.00 33.50 33.39 2j28 n PRO 72 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2j28 s ILE 73 N -0.61 0.96 0.17 4.25 -1.09 -1.26 -4.48 121.20 119.14 2j28 s ILE 73 Ca 0.00 -1.48 -0.13 0.00 -2.23 0.00 0.00 60.65 56.81 2j28 s ILE 73 Cb 0.00 -1.72 -0.07 0.00 -1.58 0.00 0.00 42.46 39.09 2j28 s ILE 73 CO 0.00 -0.68 0.54 -0.89 -1.23 0.00 0.00 174.94 172.68 2j28 s THR 74 N 1.54 4.89 0.10 2.92 2.01 -1.26 -4.21 115.64 121.63 2j28 s THR 74 Ca 0.10 0.70 0.02 0.00 0.31 0.00 0.00 61.69 62.82 2j28 s THR 74 Cb -0.18 -3.69 -0.04 0.00 0.01 0.00 0.00 72.50 68.60 2j28 s THR 74 CO -0.24 0.15 -0.07 -1.61 -0.69 0.00 0.00 174.62 172.16 2j28 s GLU 75 N -2.22 0.83 0.10 4.92 2.02 -1.13 -4.98 118.70 118.24 2j28 s GLU 75 Ca 0.41 -1.32 0.08 0.00 0.02 0.00 0.00 54.97 54.15 2j28 s GLU 75 Cb -0.14 -0.23 -0.03 0.00 0.10 0.00 0.00 34.13 33.83 2j28 s GLU 75 CO 0.20 -0.01 -0.20 -1.59 0.02 0.00 0.00 175.26 173.68 2j28 s LYS 76 N -3.74 1.10 0.00 1.61 0.00 -1.26 -4.36 119.74 113.08 2j28 s LYS 76 Ca 0.11 -1.16 0.00 0.00 0.00 0.00 0.00 55.97 54.92 2j28 s LYS 76 Cb 0.05 -1.32 0.00 0.00 0.00 0.00 0.00 37.83 36.55 2j28 s LYS 76 CO -0.04 0.30 0.00 -0.35 0.00 0.00 0.00 175.35 175.26 2j28 n PRO 77 N 1.05 2.33 -0.88 1.78 -0.04 -1.26 -4.83 135.00 133.14 2j28 n PRO 77 Ca -0.19 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.15 2j28 n PRO 77 Cb 0.54 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.96 2j28 n PRO 77 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 2j28 n LEU 78 N 0.00 5.82 -4.74 1.53 7.94 -1.26 -4.90 117.00 121.38 2j28 n LEU 78 Ca 0.00 -3.10 -0.24 0.00 -1.11 0.00 0.00 56.01 51.56 2j28 n LEU 78 Cb 0.00 -1.19 -0.07 0.00 0.53 0.00 0.00 43.42 42.69 2j28 n LEU 78 CO 0.00 1.34 -0.15 0.00 -1.11 0.00 0.00 177.39 177.47 2j28 s ALA 79 N -0.55 3.60 0.87 1.96 0.00 -1.26 -5.14 121.76 121.23 2j28 s ALA 79 Ca 0.33 -2.06 -0.13 0.00 0.00 0.00 0.00 51.96 50.11 2j28 s ALA 79 Cb 0.20 -0.47 0.05 0.00 0.00 0.00 0.00 23.12 22.90 2j28 s ALA 79 CO -0.04 -0.14 -0.14 0.28 0.00 0.00 0.00 175.76 175.72 2j28 n VAL 80 N -1.24 0.00 -3.48 0.00 0.31 -1.26 -4.97 118.33 107.70 2j28 n VAL 80 Ca -0.01 -0.05 -0.38 0.00 -0.01 0.00 0.00 64.34 63.90 2j28 n VAL 80 Cb 0.64 -0.27 -0.06 0.00 -0.91 0.00 0.00 33.84 33.24 2j28 n VAL 80 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 2j28 s ARG 81 N -2.77 4.03 -1.26 5.55 6.06 -1.26 -4.53 118.95 124.76 2j28 s ARG 81 Ca 0.27 0.38 -0.08 0.00 -2.50 0.00 0.00 55.73 53.80 2j28 s ARG 81 Cb -0.02 -3.28 0.01 0.00 0.06 0.00 0.00 34.95 31.72 2j28 s ARG 81 CO 0.33 0.54 0.15 0.00 -2.50 0.00 0.00 175.30 173.81 2j28 n MET 82 N 2.37 -0.79 0.00 5.12 0.00 -1.26 -4.81 117.12 117.75 2j28 n MET 82 Ca -0.13 0.05 0.14 0.00 0.00 0.00 0.00 57.70 57.77 2j28 n MET 82 Cb 0.52 -2.79 0.56 0.00 0.00 0.00 0.00 33.22 31.51 2j28 n MET 82 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2j28 n GLY 83 N -2.26 -0.50 0.00 3.17 0.00 -1.26 -4.91 105.19 99.43 2j28 n GLY 83 Ca -0.24 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.42 2j28 n GLY 83 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2j28 n LYS 84 N -0.44 0.00 0.00 1.61 0.00 -1.26 -5.04 118.16 113.03 2j28 n LYS 84 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.48 2j28 n LYS 84 Cb 0.30 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.33 2j28 n LYS 84 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2j28 n GLY 85 N 0.00 -0.36 3.00 3.14 0.00 -1.26 -5.14 105.19 104.57 2j28 n GLY 85 Ca 0.00 -0.02 -0.38 0.00 0.00 0.00 0.00 46.02 45.63 2j28 n GLY 85 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2j28 n LYS 86 N 0.00 -0.01 -0.49 1.61 4.81 -1.26 -4.89 118.16 117.92 2j28 n LYS 86 Ca 0.00 -0.00 -0.22 0.00 -0.87 0.00 0.00 58.31 57.22 2j28 n LYS 86 Cb 0.00 -1.01 0.18 0.00 0.02 0.00 0.00 35.03 34.22 2j28 n LYS 86 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2j28 n GLY 87 N 3.48 -2.71 0.25 3.14 0.00 -1.26 -4.41 105.19 103.67 2j28 n GLY 87 Ca -0.02 -0.97 0.00 0.00 0.00 0.00 0.00 46.02 45.03 2j28 n GLY 87 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2j28 n ASN 88 N -2.12 0.00 0.00 1.61 0.23 -1.26 -2.85 115.26 110.87 2j28 n ASN 88 Ca 0.06 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.11 2j28 n ASN 88 Cb 0.43 -0.26 0.00 0.00 -2.08 0.00 0.00 39.78 37.87 2j28 n ASN 88 CO 0.00 0.00 0.00 0.55 -0.93 0.00 0.00 177.26 176.88 2j28 n VAL 89 N -2.22 0.00 -2.00 3.53 3.14 -1.26 -4.47 118.33 115.05 2j28 n VAL 89 Ca 0.00 0.00 -0.29 0.00 -2.96 0.00 0.00 64.34 61.09 2j28 n VAL 89 Cb 0.00 0.00 0.19 0.00 -1.06 0.00 0.00 33.84 32.97 2j28 n VAL 89 CO 0.00 0.00 0.00 -1.83 -6.46 0.00 0.00 176.83 168.54 2j28 s GLU 90 N 0.00 0.52 0.33 1.45 4.04 -1.26 -5.10 118.70 118.68 2j28 s GLU 90 Ca 0.00 -0.56 0.03 0.00 0.04 0.00 0.00 54.97 54.48 2j28 s GLU 90 Cb 0.00 -1.87 -0.04 0.00 0.02 0.00 0.00 34.13 32.23 2j28 s GLU 90 CO 0.00 -2.46 0.12 0.71 -1.84 0.00 0.00 175.26 171.79 2j28 s TYR 91 N -3.87 1.73 0.00 4.83 2.02 -1.26 -4.69 117.35 116.10 2j28 s TYR 91 Ca 0.75 -1.21 0.00 0.00 -0.37 0.00 0.00 57.07 56.24 2j28 s TYR 91 Cb -0.03 -1.05 0.00 0.00 -0.40 0.00 0.00 41.96 40.48 2j28 s TYR 91 CO 0.53 -0.30 0.00 1.87 -1.57 0.00 0.00 175.55 176.08 2j28 n TRP 92 N -0.68 0.00 -0.12 2.71 -0.00 -1.26 -4.54 117.44 113.55 2j28 n TRP 92 Ca -0.02 0.00 -0.23 0.00 -0.00 0.00 0.00 57.50 57.25 2j28 n TRP 92 Cb 0.66 0.00 -0.11 0.00 -0.00 0.00 0.00 31.31 31.85 2j28 n TRP 92 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 177.69 177.97 2j28 n VAL 93 N -0.01 1.53 -2.10 5.87 0.31 -0.80 -1.86 118.33 121.26 2j28 n VAL 93 Ca 0.00 -0.48 -0.04 0.00 -0.01 0.00 0.00 64.34 63.81 2j28 n VAL 93 Cb 0.00 -1.66 0.02 0.00 -0.91 0.00 0.00 33.84 31.29 2j28 n VAL 93 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2j28 n ALA 94 N -3.62 -1.31 -2.11 3.52 0.00 -1.26 -4.57 120.51 111.16 2j28 n ALA 94 Ca -0.47 0.04 -0.17 0.00 0.00 0.00 0.00 53.44 52.84 2j28 n ALA 94 Cb 0.94 -2.07 0.12 0.00 0.00 0.00 0.00 19.45 18.44 2j28 n ALA 94 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 2j28 n LEU 95 N -1.97 0.00 0.00 0.00 -0.00 -1.25 -5.02 117.00 108.76 2j28 n LEU 95 Ca -0.02 -1.33 0.00 0.00 -0.00 0.00 0.00 56.01 54.66 2j28 n LEU 95 Cb 0.54 -0.62 0.00 0.00 -0.00 0.00 0.00 43.42 43.34 2j28 n LEU 95 CO 0.20 -1.03 0.00 -0.38 -0.00 0.00 0.00 177.39 176.18 2j28 n ILE 96 N -2.92 0.00 -2.61 1.47 -0.00 -1.26 -4.14 119.36 109.90 2j28 n ILE 96 Ca 0.12 0.00 -0.02 0.00 -0.00 0.00 0.00 62.75 62.85 2j28 n ILE 96 Cb 0.44 -0.33 0.09 0.00 -0.00 0.00 0.00 39.64 39.83 2j28 n ILE 96 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 2j28 n GLN 97 N -1.59 1.21 -1.80 0.38 3.00 -1.26 -2.32 117.38 115.00 2j28 n GLN 97 Ca 0.00 -1.62 -0.29 0.00 -0.01 0.00 0.00 57.00 55.08 2j28 n GLN 97 Cb 0.00 0.06 0.10 0.00 0.00 0.00 0.00 30.24 30.41 2j28 n GLN 97 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.06 175.81 2j28 s PRO 98 N -0.59 1.72 -0.09 -1.09 0.04 -1.24 -4.23 135.00 129.53 2j28 s PRO 98 Ca 0.12 0.15 -0.12 0.00 0.04 0.00 0.00 61.00 61.19 2j28 s PRO 98 Cb 0.37 -1.92 -0.05 0.00 0.04 0.00 0.00 34.50 32.94 2j28 s PRO 98 CO -0.10 -1.77 0.29 0.20 0.04 0.00 0.00 177.00 175.66 2j28 s GLY 99 N -4.43 2.29 -0.48 0.56 0.00 -1.23 -2.58 107.32 101.46 2j28 s GLY 99 Ca 0.63 -0.42 0.04 0.00 0.00 0.00 0.00 44.72 44.96 2j28 s GLY 99 CO 0.50 0.08 0.86 0.58 0.00 0.00 0.00 173.10 175.12 2j28 n LYS 100 N 2.45 0.52 0.00 2.90 -0.00 -1.15 -4.54 118.16 118.34 2j28 n LYS 100 Ca -0.15 -1.70 0.00 0.00 -0.00 0.00 0.00 58.31 56.46 2j28 n LYS 100 Cb 0.53 -1.18 0.00 0.00 -0.00 0.00 0.00 35.03 34.38 2j28 n LYS 100 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 2j28 n VAL 101 N 2.44 0.00 -1.70 0.58 0.31 -1.26 -4.50 118.33 114.21 2j28 n VAL 101 Ca 0.14 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.47 2j28 n VAL 101 Cb 0.60 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.53 2j28 n VAL 101 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2j28 n LEU 102 N -2.03 -2.34 -4.12 7.52 7.99 -1.23 -0.83 117.00 121.97 2j28 n LEU 102 Ca 0.00 3.11 -0.23 0.00 -0.01 0.00 0.00 56.01 58.88 2j28 n LEU 102 Cb 0.00 -3.24 -0.15 0.00 -0.11 0.00 0.00 43.42 39.92 2j28 n LEU 102 CO 0.00 0.41 -0.48 -0.31 -1.51 0.00 0.00 177.39 175.50 2j28 s TYR 103 N -3.47 1.39 0.00 -1.77 2.02 0.11 -2.80 117.35 112.83 2j28 s TYR 103 Ca 0.00 -0.30 0.00 0.00 -0.37 0.00 0.00 57.07 56.40 2j28 s TYR 103 Cb 0.00 -0.91 0.00 0.00 -0.40 0.00 0.00 41.96 40.65 2j28 s TYR 103 CO 0.00 -0.06 0.00 -1.91 -1.57 0.00 0.00 175.55 172.01 2j28 n GLU 104 N 2.84 0.00 -2.13 -0.62 2.13 -0.48 0.77 120.64 123.15 2j28 n GLU 104 Ca -0.15 0.00 -0.41 0.00 0.66 0.00 0.00 57.16 57.25 2j28 n GLU 104 Cb 0.54 -0.04 -0.03 0.00 0.27 0.00 0.00 31.44 32.18 2j28 n GLU 104 CO 0.00 0.00 0.00 1.41 -0.41 0.00 0.00 177.13 178.13 2j28 s MET 105 N 0.00 4.34 0.00 5.31 1.75 -1.26 -4.15 119.30 125.29 2j28 s MET 105 Ca 0.00 2.17 0.00 0.00 -1.25 0.00 0.00 55.69 56.61 2j28 s MET 105 Cb 0.00 -3.15 0.00 0.00 2.84 0.00 0.00 34.83 34.52 2j28 s MET 105 CO 0.00 -0.31 0.00 -0.25 -0.65 0.00 0.00 175.02 173.81 2j28 n ASP 106 N 2.31 0.00 0.00 1.11 8.00 -1.26 -4.77 116.55 121.94 2j28 n ASP 106 Ca 0.06 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.56 2j28 n ASP 106 Cb 0.42 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.52 2j28 n ASP 106 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2j28 n GLY 107 N 0.00 2.12 2.34 0.44 0.00 -1.26 -3.08 105.19 105.75 2j28 n GLY 107 Ca 0.00 -0.05 -0.30 0.00 0.00 0.00 0.00 46.02 45.67 2j28 n GLY 107 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2j28 n VAL 108 N 0.00 2.97 0.00 1.61 0.24 -1.26 -4.98 118.33 116.91 2j28 n VAL 108 Ca 0.00 -4.03 0.00 0.00 -2.04 0.00 0.00 64.34 58.27 2j28 n VAL 108 Cb 0.00 -1.19 0.00 0.00 -1.47 0.00 0.00 33.84 31.18 2j28 n VAL 108 CO 0.00 0.00 0.00 -0.81 -2.14 0.00 0.00 176.83 173.88 2j28 n PRO 109 N -0.69 0.00 -0.30 7.34 -0.04 -1.18 -1.81 135.00 138.31 2j28 n PRO 109 Ca 0.50 0.00 0.13 0.00 -0.04 0.00 0.00 63.50 64.09 2j28 n PRO 109 Cb 0.70 -0.18 0.31 0.00 -0.04 0.00 0.00 33.50 34.29 2j28 n PRO 109 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 2j28 h GLU 110 N 0.00 0.35 0.00 0.54 4.81 -1.93 -3.01 114.58 115.34 2j28 h GLU 110 Ca 0.00 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 2j28 h GLU 110 Cb 0.00 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.30 2j28 h GLU 110 CO 0.00 0.23 0.00 0.39 -0.73 0.00 0.00 179.01 178.90 2j28 n GLU 111 N -5.08 0.00 -0.23 1.92 4.71 -0.83 -2.64 120.64 118.49 2j28 n GLU 111 Ca 0.22 0.67 -0.03 0.00 -0.01 0.00 0.00 57.16 58.01 2j28 n GLU 111 Cb 0.67 -1.36 0.03 0.00 -1.01 0.00 0.00 31.44 29.76 2j28 n GLU 111 CO 0.00 0.00 0.00 1.25 0.09 0.00 0.00 177.13 178.47 2j28 h LEU 112 N 0.00 -1.09 -1.11 -4.62 6.46 -1.23 0.76 115.31 114.48 2j28 h LEU 112 Ca 0.00 0.23 0.42 0.00 -0.12 0.00 0.00 57.88 58.42 2j28 h LEU 112 Cb 0.00 0.57 -0.17 0.00 -0.73 0.00 0.00 40.66 40.33 2j28 h LEU 112 CO 0.00 -0.29 0.64 0.00 -0.62 0.00 0.00 178.44 178.17 2j28 h ALA 113 N 1.19 2.33 0.17 1.25 0.00 -1.41 0.89 119.26 123.68 2j28 h ALA 113 Ca 0.27 0.22 -0.31 0.00 0.00 0.00 0.00 54.91 55.09 2j28 h ALA 113 Cb 0.55 0.29 0.01 0.00 0.00 0.00 0.00 17.79 18.65 2j28 h ALA 113 CO -0.73 -1.07 -1.46 -0.09 0.00 0.00 0.00 179.25 175.90 2j28 h ARG 114 N 0.04 0.37 0.00 0.00 2.43 -0.64 -3.06 114.38 113.51 2j28 h ARG 114 Ca 0.85 -0.63 0.00 0.00 -0.81 0.00 0.00 59.98 59.38 2j28 h ARG 114 Cb 2.35 0.24 0.00 0.00 -0.42 0.00 0.00 29.97 32.13 2j28 h ARG 114 CO -0.67 1.28 0.08 0.39 -1.51 0.00 0.00 179.97 179.54 2j28 n GLU 115 N -3.58 0.04 -1.79 0.20 4.71 0.30 -2.21 120.64 118.32 2j28 n GLU 115 Ca -0.15 0.50 0.03 0.00 -0.01 0.00 0.00 57.16 57.52 2j28 n GLU 115 Cb 1.06 -1.72 0.04 0.00 -1.01 0.00 0.00 31.44 29.81 2j28 n GLU 115 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2j28 n ALA 116 N -1.53 2.54 0.07 0.62 0.00 -0.85 -4.91 120.51 116.45 2j28 n ALA 116 Ca -0.00 -2.53 0.03 0.00 0.00 0.00 0.00 53.44 50.93 2j28 n ALA 116 Cb 0.09 -0.74 -0.04 0.00 0.00 0.00 0.00 19.45 18.75 2j28 n ALA 116 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2j28 h PHE 117 N 1.42 0.00 -0.11 0.00 -0.00 -1.34 -3.39 116.94 113.53 2j28 h PHE 117 Ca -0.18 0.00 -0.08 0.00 -0.00 0.00 0.00 57.97 57.71 2j28 h PHE 117 Cb 1.69 0.00 -0.01 0.00 -0.00 0.00 0.00 35.95 37.62 2j28 h PHE 117 CO 0.31 0.44 -0.31 -0.22 -0.00 0.00 0.00 178.31 178.53 2j28 h LYS 118 N 0.00 0.21 -0.87 6.09 3.64 -1.91 -2.90 116.57 120.83 2j28 h LYS 118 Ca -0.10 -0.08 0.22 0.00 -1.27 0.00 0.00 60.65 59.42 2j28 h LYS 118 Cb 1.43 -0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 33.18 2j28 h LYS 118 CO 0.04 0.50 0.60 -0.07 -2.27 0.00 0.00 179.45 178.24 2j28 h LEU 119 N 0.18 0.24 -9.94 5.20 -0.00 -1.94 -3.40 115.31 105.64 2j28 h LEU 119 Ca 0.03 0.03 -0.49 0.00 -0.00 0.00 0.00 57.88 57.44 2j28 h LEU 119 Cb 0.64 -0.02 0.03 0.00 -0.00 0.00 0.00 40.66 41.31 2j28 h LEU 119 CO 0.05 0.09 0.44 0.00 -0.00 0.00 0.00 178.44 179.02 2j28 s ALA 120 N -5.24 3.12 0.10 1.53 0.00 -1.10 -4.83 121.76 115.34 2j28 s ALA 120 Ca -0.07 0.79 -0.06 0.00 0.00 0.00 0.00 51.96 52.62 2j28 s ALA 120 Cb 0.22 -3.31 -0.19 0.00 0.00 0.00 0.00 23.12 19.84 2j28 s ALA 120 CO 0.78 -0.30 1.21 0.00 0.00 0.00 0.00 175.76 177.45 2j28 h ALA 121 N 2.64 0.21 -1.93 0.00 0.00 -1.86 -3.46 119.26 114.86 2j28 h ALA 121 Ca -0.48 -0.79 -0.46 0.00 0.00 0.00 0.00 54.91 53.19 2j28 h ALA 121 Cb 1.22 0.01 0.10 0.00 0.00 0.00 0.00 17.79 19.12 2j28 h ALA 121 CO 0.63 0.86 0.24 0.00 0.00 0.00 0.00 179.25 180.97 2j28 s ALA 122 N -2.99 3.10 -0.18 0.00 0.00 -1.26 -5.05 121.76 115.38 2j28 s ALA 122 Ca -0.06 -1.25 -0.09 0.00 0.00 0.00 0.00 51.96 50.56 2j28 s ALA 122 Cb 0.08 -2.45 -0.05 0.00 0.00 0.00 0.00 23.12 20.70 2j28 s ALA 122 CO 0.88 -1.63 0.12 0.15 0.00 0.00 0.00 175.76 175.28 2j28 s LYS 123 N -5.37 4.00 -0.08 0.00 1.02 -1.26 -4.99 119.74 113.06 2j28 s LYS 123 Ca 0.66 -0.22 0.02 0.00 0.02 0.00 0.00 55.97 56.44 2j28 s LYS 123 Cb -0.07 -3.34 0.01 0.00 -0.52 0.00 0.00 37.83 33.91 2j28 s LYS 123 CO 0.47 0.39 -0.14 -0.48 -0.92 0.00 0.00 175.35 174.67 2j28 s LEU 124 N 0.08 1.67 0.91 3.17 0.05 -1.26 -0.05 118.68 123.25 2j28 s LEU 124 Ca 0.09 -0.36 -0.12 0.00 0.05 0.00 0.00 54.13 53.79 2j28 s LEU 124 Cb -0.11 -0.95 0.14 0.00 -2.05 0.00 0.00 46.19 43.22 2j28 s LEU 124 CO -0.01 0.03 1.12 -2.16 -0.55 0.00 0.00 176.35 174.78 2j28 s PRO 125 N 0.79 1.14 0.58 1.48 0.04 -1.16 -4.90 135.00 132.97 2j28 s PRO 125 Ca -0.12 0.44 0.27 0.00 0.04 0.00 0.00 61.00 61.64 2j28 s PRO 125 Cb -0.16 -1.83 1.62 0.00 0.04 0.00 0.00 34.50 34.18 2j28 s PRO 125 CO 0.02 -2.23 2.12 -0.84 0.04 0.00 0.00 177.00 176.11 2j28 h ILE 126 N -1.52 0.55 -1.98 0.56 3.07 -1.94 -3.39 117.51 112.86 2j28 h ILE 126 Ca -0.51 0.00 0.13 0.00 1.55 0.00 0.00 64.86 66.03 2j28 h ILE 126 Cb 1.32 0.87 -0.03 0.00 -0.27 0.00 0.00 36.82 38.70 2j28 h ILE 126 CO 0.60 0.00 -0.17 1.17 -1.05 0.00 0.00 178.15 178.70 2j28 n LYS 127 N -3.93 -0.94 0.00 0.16 0.00 -1.26 -4.73 118.16 107.46 2j28 n LYS 127 Ca 0.01 0.62 0.00 0.00 0.00 0.00 0.00 58.31 58.94 2j28 n LYS 127 Cb 0.29 -1.15 0.00 0.00 0.00 0.00 0.00 35.03 34.17 2j28 n LYS 127 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 2j28 n THR 128 N -2.35 0.00 0.00 3.15 -2.24 -1.26 -4.96 114.28 106.63 2j28 n THR 128 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2j28 n THR 128 Cb 0.21 -0.07 0.00 0.00 -2.10 0.00 0.00 70.33 68.37 2j28 n THR 128 CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57 2j28 n THR 129 N -0.50 0.00 -1.76 4.28 5.66 -1.26 -3.49 114.28 117.21 2j28 n THR 129 Ca 0.00 0.00 -0.41 0.00 -3.05 0.00 0.00 64.05 60.59 2j28 n THR 129 Cb 0.00 0.00 -0.01 0.00 -1.55 0.00 0.00 70.33 68.77 2j28 n THR 129 CO 0.00 0.00 0.00 0.33 -3.05 0.00 0.00 175.07 172.35 2j28 n PHE 130 N -0.02 2.89 -3.85 1.09 7.35 -1.26 -4.92 117.46 118.75 2j28 n PHE 130 Ca 0.00 0.38 -0.09 0.00 -0.76 0.00 0.00 57.45 56.98 2j28 n PHE 130 Cb 0.00 -2.55 0.01 0.00 0.35 0.00 0.00 39.48 37.29 2j28 n PHE 130 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 2j28 s VAL 131 N -0.70 0.00 0.00 -2.13 0.11 -1.26 -4.97 120.40 111.45 2j28 s VAL 131 Ca 0.57 -1.07 0.00 0.00 -2.93 0.00 0.00 61.98 58.56 2j28 s VAL 131 Cb -0.49 -2.72 0.00 0.00 -1.53 0.00 0.00 36.38 31.64 2j28 s VAL 131 CO 0.58 0.00 0.31 1.07 -3.33 0.00 0.00 175.10 173.74 2j28 n THR 132 N -0.52 0.00 -1.63 5.04 5.66 -1.26 -5.07 114.28 116.49 2j28 n THR 132 Ca -0.07 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.93 2j28 n THR 132 Cb 0.60 0.15 0.00 0.00 -1.55 0.00 0.00 70.33 69.53 2j28 n THR 132 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 175.07 173.19 2j28 n LYS 133 N 0.00 0.00 0.00 1.09 0.00 -1.26 -5.20 118.16 112.79 2j28 n LYS 133 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.22 2j28 n LYS 133 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.41 2j28 n LYS 133 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.40 179.81 2j28 n THR 134 N 0.00 0.00 -3.74 3.15 -1.04 -1.26 -5.14 114.28 106.26 2j28 n THR 134 Ca 0.00 0.00 -0.12 0.00 -2.04 0.00 0.00 64.05 61.89 2j28 n THR 134 Cb 0.00 0.00 -0.11 0.00 -1.82 0.00 0.00 70.33 68.40 2j28 n THR 134 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2j28 s VAL 135 N -0.12 -0.02 0.00 12.58 1.01 -1.26 -5.12 120.40 127.48 2j28 s VAL 135 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 61.98 62.04 2j28 s VAL 135 Cb 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 36.38 35.92 2j28 s VAL 135 CO 0.00 0.02 0.00 0.80 0.00 0.00 0.00 175.10 175.92