#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jx2 s PRO 36 N 0.00 4.10 0.21 0.00 0.04 -1.26 -5.05 135.00 133.03 2jx2 s PRO 36 Ca 0.00 1.90 0.09 0.00 0.04 0.00 0.00 61.00 63.03 2jx2 s PRO 36 Cb 0.00 -2.74 -0.05 0.00 0.04 0.00 0.00 34.50 31.75 2jx2 s PRO 36 CO 0.00 -0.30 -0.17 1.03 0.04 0.00 0.00 177.00 177.60 2jx2 s ARG 37 N -2.21 1.38 0.00 4.56 0.52 -1.26 -5.03 118.95 116.92 2jx2 s ARG 37 Ca 0.56 -1.57 -0.00 0.00 -0.52 0.00 0.00 55.73 54.19 2jx2 s ARG 37 Cb -0.32 -1.31 0.00 0.00 0.52 0.00 0.00 34.95 33.84 2jx2 s ARG 37 CO 0.41 0.24 0.00 1.63 0.02 0.00 0.00 175.30 177.60 2jx2 n LYS 38 N -0.24 -1.08 0.00 3.54 5.02 -1.26 -4.18 118.16 119.96 2jx2 n LYS 38 Ca -0.09 -0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.20 2jx2 n LYS 38 Cb 0.59 -0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.60 2jx2 n LYS 38 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2jx2 n GLY 39 N -0.01 -0.61 3.64 0.72 0.00 0.27 -4.78 105.19 104.42 2jx2 n GLY 39 Ca 0.00 0.44 -0.43 0.00 0.00 0.00 0.00 46.02 46.03 2jx2 n GLY 39 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2jx2 s ASN 40 N 0.00 6.91 0.44 1.61 2.47 0.54 -3.83 114.94 123.07 2jx2 s ASN 40 Ca 0.00 1.03 -0.21 0.00 0.42 0.00 0.00 52.86 54.10 2jx2 s ASN 40 Cb 0.00 -2.51 -0.10 0.00 -1.45 0.00 0.00 41.25 37.19 2jx2 s ASN 40 CO 0.00 -0.78 0.99 -0.89 -3.72 0.00 0.00 177.10 172.70 2jx2 s THR 41 N 3.40 4.13 0.14 -5.21 2.01 -1.25 0.84 115.64 119.71 2jx2 s THR 41 Ca 0.42 1.39 0.08 0.00 0.31 0.00 0.00 61.69 63.89 2jx2 s THR 41 Cb -0.13 -3.59 -0.04 0.00 0.01 0.00 0.00 72.50 68.74 2jx2 s THR 41 CO 0.13 -0.23 -0.17 -0.76 -0.69 0.00 0.00 174.62 172.90 2jx2 s LEU 42 N -3.13 2.41 -0.30 4.42 1.02 0.48 -3.61 118.68 119.97 2jx2 s LEU 42 Ca 0.62 -0.82 -0.07 0.00 0.02 0.00 0.00 54.13 53.88 2jx2 s LEU 42 Cb -0.13 -0.75 0.01 0.00 0.02 0.00 0.00 46.19 45.33 2jx2 s LEU 42 CO 0.17 -0.06 0.09 -0.47 0.02 0.00 0.00 176.35 176.11 2jx2 s TYR 43 N -1.96 3.15 -0.10 0.29 5.04 0.54 -2.28 117.35 122.03 2jx2 s TYR 43 Ca 0.13 -0.94 -0.02 0.00 -2.44 0.00 0.00 57.07 53.80 2jx2 s TYR 43 Cb -0.06 -2.27 -0.03 0.00 0.35 0.00 0.00 41.96 39.95 2jx2 s TYR 43 CO 0.05 -0.57 -0.03 0.08 -1.34 0.00 0.00 175.55 173.75 2jx2 s VAL 44 N 1.51 4.02 -0.04 3.14 1.01 0.18 -0.50 120.40 129.72 2jx2 s VAL 44 Ca 0.03 -0.35 0.04 0.00 0.00 0.00 0.00 61.98 61.70 2jx2 s VAL 44 Cb -0.17 -2.70 -0.00 0.00 0.00 0.00 0.00 36.38 33.51 2jx2 s VAL 44 CO 0.03 0.57 -0.15 -0.47 0.00 0.00 0.00 175.10 175.08 2jx2 s TYR 45 N -0.54 1.51 -2.19 5.22 5.04 -0.22 0.02 117.35 126.19 2jx2 s TYR 45 Ca 0.09 -0.42 0.00 0.00 -2.44 0.00 0.00 57.07 54.29 2jx2 s TYR 45 Cb -0.12 -1.03 0.00 0.00 0.35 0.00 0.00 41.96 41.16 2jx2 s TYR 45 CO 0.02 -0.15 0.00 0.41 -1.34 0.00 0.00 175.55 174.49 2jx2 n GLY 46 N 3.19 -1.77 3.59 8.97 0.00 -0.91 -1.59 105.19 116.67 2jx2 n GLY 46 Ca -0.18 -1.11 -0.24 0.00 0.00 0.00 0.00 46.02 44.49 2jx2 n GLY 46 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2jx2 s GLU 47 N -1.75 2.03 -1.49 1.61 2.02 -1.26 -4.49 118.70 115.36 2jx2 s GLU 47 Ca 0.00 -1.65 -0.01 0.00 0.02 0.00 0.00 54.97 53.33 2jx2 s GLU 47 Cb 0.00 -1.95 0.01 0.00 0.10 0.00 0.00 34.13 32.29 2jx2 s GLU 47 CO 0.00 0.27 0.23 -0.25 0.02 0.00 0.00 175.26 175.52 2jx2 n ASP 48 N -0.83 0.21 -4.81 -0.19 8.00 -1.26 -4.91 116.55 112.75 2jx2 n ASP 48 Ca -0.05 -1.15 -0.36 0.00 0.71 0.00 0.00 54.79 53.94 2jx2 n ASP 48 Cb 0.61 -2.30 -0.07 0.00 -0.02 0.00 0.00 41.12 39.34 2jx2 n ASP 48 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 2jx2 s MET 49 N -6.99 3.41 0.29 -1.24 -1.94 -1.26 -5.11 119.30 106.46 2jx2 s MET 49 Ca 0.04 -0.21 0.09 0.00 -1.71 0.00 0.00 55.69 53.90 2jx2 s MET 49 Cb -0.02 -3.11 -0.06 0.00 2.01 0.00 0.00 34.83 33.65 2jx2 s MET 49 CO 0.95 0.70 -0.12 0.95 -0.01 0.00 0.00 175.02 177.49 2jx2 s THR 50 N -0.83 2.06 -0.02 2.05 -4.23 -1.26 -5.07 115.64 108.34 2jx2 s THR 50 Ca 0.13 -2.24 -0.24 0.00 -1.18 0.00 0.00 61.69 58.17 2jx2 s THR 50 Cb -0.12 -2.42 -0.17 0.00 1.34 0.00 0.00 72.50 71.14 2jx2 s THR 50 CO 0.03 -0.34 1.11 1.55 -0.54 0.00 0.00 174.62 176.43 2jx2 h PRO 51 N 2.23 -0.25 -0.57 3.99 0.13 -1.98 -2.18 132.00 133.38 2jx2 h PRO 51 Ca -0.40 0.02 0.12 0.00 -0.87 0.00 0.00 66.00 64.86 2jx2 h PRO 51 Cb 1.24 0.06 -0.10 0.00 0.13 0.00 0.00 31.00 32.33 2jx2 h PRO 51 CO 0.66 0.14 -0.08 1.15 -0.23 0.00 0.00 178.00 179.64 2jx2 h THR 52 N -0.74 0.47 -0.36 1.56 2.02 -1.99 0.30 112.91 114.18 2jx2 h THR 52 Ca -0.03 -0.02 0.01 0.00 0.77 0.00 0.00 66.41 67.14 2jx2 h THR 52 Cb 0.50 0.42 -0.02 0.00 -1.74 0.00 0.00 68.15 67.31 2jx2 h THR 52 CO 0.04 0.01 0.23 0.25 0.37 0.00 0.00 175.52 176.42 2jx2 h LEU 53 N 0.05 0.39 -0.46 2.58 5.85 -1.99 -2.31 115.31 119.42 2jx2 h LEU 53 Ca 0.29 -0.01 0.04 0.00 0.84 0.00 0.00 57.88 59.04 2jx2 h LEU 53 Cb 0.45 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.35 2jx2 h LEU 53 CO -0.54 0.28 0.22 -0.07 -0.34 0.00 0.00 178.44 177.99 2jx2 h LEU 54 N 0.47 0.32 -1.02 2.25 3.38 -0.25 -0.81 115.31 119.65 2jx2 h LEU 54 Ca 0.14 0.03 0.19 0.00 0.09 0.00 0.00 57.88 58.32 2jx2 h LEU 54 Cb -0.04 -0.03 -0.11 0.00 0.09 0.00 0.00 40.66 40.58 2jx2 h LEU 54 CO -0.04 0.23 0.61 0.03 0.09 0.00 0.00 178.44 179.36 2jx2 h ARG 55 N 0.45 0.74 -0.24 1.13 3.08 0.01 0.39 114.38 119.94 2jx2 h ARG 55 Ca 0.20 -0.04 -0.12 0.00 0.07 0.00 0.00 59.98 60.09 2jx2 h ARG 55 Cb 0.12 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 29.99 2jx2 h ARG 55 CO -0.15 0.49 -0.35 0.78 -1.07 0.00 0.00 179.97 179.67 2jx2 h GLY 56 N 0.76 0.56 2.00 0.04 0.00 -0.75 2.01 103.07 107.69 2jx2 h GLY 56 Ca 0.58 -0.52 -0.11 0.00 0.00 0.00 0.00 47.33 47.28 2jx2 h GLY 56 CO -0.37 0.47 -0.51 0.00 0.00 0.00 0.00 176.54 176.13 2jx2 h ALA 57 N 1.18 0.92 -0.25 3.60 0.00 0.44 -3.09 119.26 122.06 2jx2 h ALA 57 Ca 0.05 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.49 2jx2 h ALA 57 Cb 0.82 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.53 2jx2 h ALA 57 CO 0.07 0.64 0.00 1.19 0.00 0.00 0.00 179.25 181.15 2jx2 n PHE 58 N -3.59 0.33 0.08 0.00 3.01 0.67 -4.53 117.46 113.43 2jx2 n PHE 58 Ca -0.00 -0.42 -0.08 0.00 1.01 0.00 0.00 57.45 57.95 2jx2 n PHE 58 Cb 0.59 -0.03 -0.05 0.00 -0.01 0.00 0.00 39.48 39.99 2jx2 n PHE 58 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 2jx2 h SER 59 N 1.73 -0.25 0.54 4.37 0.87 0.33 -3.10 113.55 118.04 2jx2 h SER 59 Ca 0.00 -0.18 -0.07 0.00 -1.23 0.00 0.00 61.79 60.31 2jx2 h SER 59 Cb 0.65 0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 62.66 2jx2 h SER 59 CO 0.00 0.27 -0.33 1.55 -0.53 0.00 0.00 176.83 177.79 2jx2 h PRO 60 N -1.00 0.00 -0.14 2.24 0.13 -1.81 -2.91 132.00 128.52 2jx2 h PRO 60 Ca -0.03 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.98 2jx2 h PRO 60 Cb 0.42 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.54 2jx2 h PRO 60 CO 0.05 0.33 -0.44 0.74 -0.23 0.00 0.00 178.00 178.45 2jx2 h PHE 61 N 0.00 0.39 0.00 1.56 -1.00 -1.80 -3.48 116.94 112.61 2jx2 h PHE 61 Ca -0.00 -0.11 0.00 0.00 2.81 0.00 0.00 57.97 60.66 2jx2 h PHE 61 Cb 0.69 -0.08 0.00 0.00 3.61 0.00 0.00 35.95 40.17 2jx2 h PHE 61 CO 0.00 0.71 0.00 0.41 -1.61 0.00 0.00 178.31 177.82 2jx2 n GLY 62 N -0.07 -1.26 3.86 -1.45 0.00 -1.10 -4.67 105.19 100.51 2jx2 n GLY 62 Ca -0.02 -0.90 -0.37 0.00 0.00 0.00 0.00 46.02 44.74 2jx2 n GLY 62 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2jx2 s ASN 63 N -4.00 6.37 -0.21 1.61 0.01 -1.26 -4.25 114.94 113.21 2jx2 s ASN 63 Ca 0.00 0.45 -0.09 0.00 -0.71 0.00 0.00 52.86 52.51 2jx2 s ASN 63 Cb 0.00 -2.07 -0.05 0.00 0.41 0.00 0.00 41.25 39.54 2jx2 s ASN 63 CO 0.00 0.38 0.11 -0.63 -1.51 0.00 0.00 177.10 175.46 2jx2 s ILE 64 N -0.87 5.18 -0.13 0.60 1.01 -1.26 -2.71 121.20 123.02 2jx2 s ILE 64 Ca 0.14 0.11 0.19 0.00 0.00 0.00 0.00 60.65 61.09 2jx2 s ILE 64 Cb -0.12 -3.37 -0.20 0.00 0.01 0.00 0.00 42.46 38.78 2jx2 s ILE 64 CO 0.03 0.42 0.57 2.30 0.00 0.00 0.00 174.94 178.27 2jx2 n ILE 65 N 3.75 0.94 -3.76 2.92 -5.35 -1.11 -4.90 119.36 111.84 2jx2 n ILE 65 Ca -0.16 -0.68 -0.15 0.00 -0.27 0.00 0.00 62.75 61.49 2jx2 n ILE 65 Cb 0.52 -0.48 -0.16 0.00 -1.74 0.00 0.00 39.64 37.78 2jx2 n ILE 65 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 2jx2 s ASP 66 N -5.40 0.03 -0.21 7.28 2.15 -1.26 -5.03 116.67 114.23 2jx2 s ASP 66 Ca -0.06 0.12 0.01 0.00 0.43 0.00 0.00 52.55 53.05 2jx2 s ASP 66 Cb 0.09 0.00 0.03 0.00 -0.30 0.00 0.00 42.92 42.75 2jx2 s ASP 66 CO 0.84 -0.14 -0.15 -0.22 -0.17 0.00 0.00 175.17 175.33 2jx2 s LEU 67 N 1.13 2.68 0.06 -1.34 1.98 -1.26 -1.74 118.68 120.18 2jx2 s LEU 67 Ca -0.09 -0.90 0.09 0.00 -2.89 0.00 0.00 54.13 50.34 2jx2 s LEU 67 Cb -0.13 -1.53 -0.03 0.00 0.66 0.00 0.00 46.19 45.17 2jx2 s LEU 67 CO -0.04 -0.07 -0.25 -0.44 -1.89 0.00 0.00 176.35 173.66 2jx2 s SER 68 N 1.24 3.02 0.04 3.68 0.01 -0.65 -5.02 113.70 116.02 2jx2 s SER 68 Ca 0.00 -0.60 0.08 0.00 1.31 0.00 0.00 55.95 56.74 2jx2 s SER 68 Cb -0.16 -0.26 -0.03 0.00 0.21 0.00 0.00 66.02 65.79 2jx2 s SER 68 CO -0.09 0.22 -0.23 -0.04 0.41 0.00 0.00 173.24 173.51 2jx2 s MET 69 N -1.35 1.59 -0.42 12.44 -1.94 -1.26 0.06 119.30 128.43 2jx2 s MET 69 Ca 0.11 -0.99 0.03 0.00 -1.71 0.00 0.00 55.69 53.12 2jx2 s MET 69 Cb -0.10 -1.72 0.12 0.00 2.01 0.00 0.00 34.83 35.14 2jx2 s MET 69 CO 0.03 0.44 0.17 0.34 -0.01 0.00 0.00 175.02 175.99 2jx2 s ASP 70 N -1.14 4.21 0.28 3.03 2.15 0.16 -4.90 116.67 120.46 2jx2 s ASP 70 Ca 0.09 -2.45 0.13 0.00 0.43 0.00 0.00 52.55 50.75 2jx2 s ASP 70 Cb -0.09 -1.35 0.33 0.00 -0.30 0.00 0.00 42.92 41.51 2jx2 s ASP 70 CO 0.02 -0.31 1.58 1.55 -0.17 0.00 0.00 175.17 177.83 2jx2 h PRO 71 N 7.12 0.00 0.00 4.34 0.13 -1.97 -0.16 132.00 141.46 2jx2 h PRO 71 Ca -0.06 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.03 2jx2 h PRO 71 Cb 0.96 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.08 2jx2 h PRO 71 CO 0.55 0.58 -0.18 -1.00 -0.23 0.00 0.00 178.00 177.72 2jx2 h PRO 72 N 0.00 0.00 -0.10 1.56 0.13 -1.93 -3.19 132.00 128.48 2jx2 h PRO 72 Ca -0.01 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.12 2jx2 h PRO 72 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2jx2 h PRO 72 CO 0.08 0.18 0.00 0.54 -0.23 0.00 0.00 178.00 178.57 2jx2 n ARG 73 N -3.22 1.18 -3.55 0.86 1.74 -1.22 -4.99 116.66 107.46 2jx2 n ARG 73 Ca 0.02 -1.33 -0.20 0.00 -0.77 0.00 0.00 57.85 55.57 2jx2 n ARG 73 Cb 0.50 -1.17 0.07 0.00 -1.02 0.00 0.00 32.46 30.84 2jx2 n ARG 73 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2jx2 n ASN 74 N 0.37 -2.68 -3.69 0.55 3.02 -0.81 -4.92 115.26 107.09 2jx2 n ASN 74 Ca 0.06 -0.66 -0.14 0.00 -0.03 0.00 0.00 54.58 53.80 2jx2 n ASN 74 Cb 0.27 -4.80 -0.08 0.00 -0.61 0.00 0.00 39.78 34.56 2jx2 n ASN 74 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2jx2 s ALA 76 N -1.02 2.62 -0.02 0.00 0.00 0.10 0.39 121.76 123.83 2jx2 s ALA 76 Ca -0.11 -1.77 0.08 0.00 0.00 0.00 0.00 51.96 50.16 2jx2 s ALA 76 Cb -0.04 -0.28 -0.02 0.00 0.00 0.00 0.00 23.12 22.78 2jx2 s ALA 76 CO 0.05 0.33 -0.25 -0.06 0.00 0.00 0.00 175.76 175.83 2jx2 s PHE 77 N -2.17 2.36 -0.02 0.00 0.08 0.11 0.50 117.98 118.84 2jx2 s PHE 77 Ca 0.26 -0.43 0.04 0.00 0.12 0.00 0.00 56.93 56.91 2jx2 s PHE 77 Cb -0.06 -1.51 -0.01 0.00 -0.57 0.00 0.00 43.02 40.87 2jx2 s PHE 77 CO 0.12 -0.03 -0.13 0.08 -0.10 0.00 0.00 175.22 175.16 2jx2 s VAL 78 N -0.59 1.10 -0.13 -0.44 1.01 -0.97 -1.64 120.40 118.74 2jx2 s VAL 78 Ca 0.09 -0.57 -0.04 0.00 0.00 0.00 0.00 61.98 61.47 2jx2 s VAL 78 Cb -0.10 -0.94 -0.03 0.00 0.00 0.00 0.00 36.38 35.31 2jx2 s VAL 78 CO -0.01 0.32 0.02 -0.89 0.00 0.00 0.00 175.10 174.54 2jx2 s THR 79 N -0.12 4.41 -0.03 3.92 2.01 -0.71 0.18 115.64 125.30 2jx2 s THR 79 Ca 0.01 -0.19 0.04 0.00 0.31 0.00 0.00 61.69 61.86 2jx2 s THR 79 Cb -0.07 -2.91 -0.03 0.00 0.01 0.00 0.00 72.50 69.49 2jx2 s THR 79 CO 0.00 0.54 -0.12 -0.31 -0.69 0.00 0.00 174.62 174.04 2jx2 s TYR 80 N -0.25 2.75 0.44 4.92 2.02 0.25 -2.76 117.35 124.72 2jx2 s TYR 80 Ca 0.06 -0.12 0.34 0.00 -0.37 0.00 0.00 57.07 56.98 2jx2 s TYR 80 Cb -0.12 -1.61 1.75 0.00 -0.40 0.00 0.00 41.96 41.58 2jx2 s TYR 80 CO 0.02 0.26 2.16 1.49 -1.57 0.00 0.00 175.55 177.91 2jx2 h GLU 81 N 5.04 0.00 -4.13 -0.62 4.81 -1.82 1.59 114.58 119.45 2jx2 h GLU 81 Ca -0.47 0.00 -0.34 0.00 -0.13 0.00 0.00 59.36 58.41 2jx2 h GLU 81 Cb 1.16 0.00 -0.31 0.00 0.63 0.00 0.00 28.75 30.23 2jx2 h GLU 81 CO 0.51 0.05 -0.76 0.15 -0.73 0.00 0.00 179.01 178.24 2jx2 s LYS 82 N -4.12 0.48 0.60 1.92 1.02 -1.26 -4.02 119.74 114.36 2jx2 s LYS 82 Ca -0.03 -0.12 0.30 0.00 0.02 0.00 0.00 55.97 56.15 2jx2 s LYS 82 Cb 0.12 -0.50 1.76 0.00 -0.52 0.00 0.00 37.83 38.69 2jx2 s LYS 82 CO 0.52 0.02 2.14 0.52 -0.92 0.00 0.00 175.35 177.64 2jx2 h MET 83 N 6.49 0.00 -0.46 1.68 2.86 -1.89 -0.13 114.93 123.48 2jx2 h MET 83 Ca -0.33 0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 57.22 2jx2 h MET 83 Cb 1.17 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.81 2jx2 h MET 83 CO 0.49 0.00 -0.08 0.93 1.06 0.00 0.00 176.91 179.31 2jx2 h GLU 84 N 0.00 0.82 -0.13 1.72 5.08 -1.96 -2.35 114.58 117.76 2jx2 h GLU 84 Ca 0.06 -0.26 -0.03 0.00 -1.00 0.00 0.00 59.36 58.13 2jx2 h GLU 84 Cb 0.38 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 2jx2 h GLU 84 CO -0.00 0.87 -0.04 0.77 -1.00 0.00 0.00 179.01 179.61 2jx2 h SER 85 N 0.74 0.17 0.42 1.42 0.02 -1.28 -1.99 113.55 113.04 2jx2 h SER 85 Ca 0.13 -0.02 -0.21 0.00 -0.84 0.00 0.00 61.79 60.85 2jx2 h SER 85 Cb 0.56 -0.04 -0.00 0.00 0.14 0.00 0.00 62.40 63.06 2jx2 h SER 85 CO 0.03 0.24 -0.89 0.00 -1.14 0.00 0.00 176.83 175.08 2jx2 h ALA 86 N 1.78 0.46 -0.40 3.77 0.00 -1.45 -2.37 119.26 121.05 2jx2 h ALA 86 Ca 0.04 -0.70 -0.01 0.00 0.00 0.00 0.00 54.91 54.24 2jx2 h ALA 86 Cb 0.20 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 2jx2 h ALA 86 CO 0.01 0.84 0.20 0.22 0.00 0.00 0.00 179.25 180.52 2jx2 h ASP 87 N 0.19 0.52 -0.28 0.00 3.58 -0.91 1.50 116.42 121.02 2jx2 h ASP 87 Ca -0.06 -0.12 -0.10 0.00 0.42 0.00 0.00 57.03 57.18 2jx2 h ASP 87 Cb 1.51 -0.13 -0.01 0.00 1.72 0.00 0.00 39.33 42.42 2jx2 h ASP 87 CO 0.15 0.49 -0.20 -0.61 -2.88 0.00 0.00 179.24 176.18 2jx2 h GLN 88 N 0.51 0.63 -0.16 0.28 4.15 -1.50 0.50 115.11 119.51 2jx2 h GLN 88 Ca 0.14 -0.30 -0.18 0.00 0.77 0.00 0.00 58.65 59.07 2jx2 h GLN 88 Cb 0.10 -0.00 -0.00 0.00 0.21 0.00 0.00 27.48 27.79 2jx2 h GLN 88 CO -0.02 0.89 -0.65 0.00 -1.93 0.00 0.00 178.83 177.12 2jx2 h ALA 89 N 0.72 0.55 -0.11 3.38 0.00 -1.24 0.15 119.26 122.72 2jx2 h ALA 89 Ca 0.05 -0.56 -0.04 0.00 0.00 0.00 0.00 54.91 54.36 2jx2 h ALA 89 Cb 0.74 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 2jx2 h ALA 89 CO 0.05 0.71 -0.09 0.28 0.00 0.00 0.00 179.25 180.20 2jx2 h VAL 90 N 0.44 1.35 0.00 0.00 2.07 0.22 1.17 116.25 121.49 2jx2 h VAL 90 Ca -0.02 -1.21 -0.12 0.00 0.82 0.00 0.00 66.70 66.17 2jx2 h VAL 90 Cb 1.23 1.91 -0.02 0.00 -1.52 0.00 0.00 31.29 32.89 2jx2 h VAL 90 CO 0.12 0.35 -0.58 0.00 0.02 0.00 0.00 177.57 177.48 2jx2 h ALA 91 N 0.60 0.90 0.00 1.67 0.00 -0.93 0.06 119.26 121.57 2jx2 h ALA 91 Ca 0.02 -0.53 -0.17 0.00 0.00 0.00 0.00 54.91 54.23 2jx2 h ALA 91 Cb 0.60 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 2jx2 h ALA 91 CO 0.02 0.72 -0.94 1.49 0.00 0.00 0.00 179.25 180.54 2jx2 h GLU 92 N 0.00 0.01 -0.49 0.00 4.57 -0.63 -3.37 114.58 114.66 2jx2 h GLU 92 Ca -0.01 -0.01 -0.13 0.00 -1.18 0.00 0.00 59.36 58.03 2jx2 h GLU 92 Cb 1.12 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.70 2jx2 h GLU 92 CO 0.08 1.01 -0.20 -0.07 -1.18 0.00 0.00 179.01 178.64 2jx2 h LEU 93 N -0.98 1.02 -9.49 1.64 3.38 0.13 -3.42 115.31 107.60 2jx2 h LEU 93 Ca -0.26 -0.38 -0.53 0.00 0.09 0.00 0.00 57.88 56.80 2jx2 h LEU 93 Cb 1.24 -0.28 0.02 0.00 0.09 0.00 0.00 40.66 41.73 2jx2 h LEU 93 CO -0.15 1.18 0.81 0.21 0.09 0.00 0.00 178.44 180.58 2jx2 s ASN 94 N -6.72 6.77 0.00 -0.43 2.47 0.01 -2.59 114.94 114.45 2jx2 s ASN 94 Ca -0.11 2.33 0.00 0.00 0.42 0.00 0.00 52.86 55.49 2jx2 s ASN 94 Cb 0.12 -2.58 0.00 0.00 -1.45 0.00 0.00 41.25 37.35 2jx2 s ASN 94 CO 0.87 -0.72 0.00 0.61 -3.72 0.00 0.00 177.10 174.14 2jx2 n GLY 95 N 3.63 0.84 3.37 1.21 0.00 -1.24 -4.80 105.19 108.20 2jx2 n GLY 95 Ca 0.13 -0.26 -0.29 0.00 0.00 0.00 0.00 46.02 45.59 2jx2 n GLY 95 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2jx2 s THR 96 N -2.00 2.18 -0.01 2.61 -4.23 -1.07 -5.07 115.64 108.05 2jx2 s THR 96 Ca 0.00 -1.65 0.08 0.00 -1.18 0.00 0.00 61.69 58.94 2jx2 s THR 96 Cb 0.00 -1.92 -0.02 0.00 1.34 0.00 0.00 72.50 71.90 2jx2 s THR 96 CO 0.00 0.14 -0.26 -1.58 -0.54 0.00 0.00 174.62 172.39 2jx2 s GLN 97 N -1.84 2.07 0.00 3.99 0.74 -1.26 -2.49 119.66 120.87 2jx2 s GLN 97 Ca 0.13 -0.95 0.00 0.00 0.05 0.00 0.00 55.36 54.59 2jx2 s GLN 97 Cb -0.10 -2.04 0.00 0.00 1.10 0.00 0.00 33.01 31.97 2jx2 s GLN 97 CO 0.05 0.55 0.00 0.28 -0.55 0.00 0.00 175.29 175.62 2jx2 n VAL 98 N 2.32 0.00 -0.27 1.34 0.31 0.47 -4.89 118.33 117.61 2jx2 n VAL 98 Ca -0.16 0.00 0.11 0.00 -0.01 0.00 0.00 64.34 64.28 2jx2 n VAL 98 Cb 0.51 -1.91 0.37 0.00 -0.91 0.00 0.00 33.84 31.90 2jx2 n VAL 98 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 2jx2 h GLU 99 N 0.00 0.69 0.00 5.55 5.08 -2.03 -3.32 114.58 120.55 2jx2 h GLU 99 Ca 0.00 -0.04 -0.07 0.00 -1.00 0.00 0.00 59.36 58.25 2jx2 h GLU 99 Cb 0.00 -0.16 -0.10 0.00 0.50 0.00 0.00 28.75 29.00 2jx2 h GLU 99 CO 0.00 0.46 -0.29 0.45 -1.00 0.00 0.00 179.01 178.63 2jx2 n SER 100 N -4.56 -0.29 -4.19 1.42 2.88 -1.26 -5.13 113.62 102.49 2jx2 n SER 100 Ca 0.17 -1.62 -0.11 0.00 -1.33 0.00 0.00 58.87 55.98 2jx2 n SER 100 Cb 0.45 0.07 -0.10 0.00 -0.75 0.00 0.00 64.21 63.88 2jx2 n SER 100 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 2jx2 s VAL 101 N 0.00 0.36 0.06 2.46 1.01 -1.25 -5.10 120.40 117.93 2jx2 s VAL 101 Ca 0.04 -1.93 0.09 0.00 0.00 0.00 0.00 61.98 60.18 2jx2 s VAL 101 Cb 0.04 -2.05 -0.03 0.00 0.00 0.00 0.00 36.38 34.35 2jx2 s VAL 101 CO -0.02 -0.50 -0.24 -1.10 0.00 0.00 0.00 175.10 173.23 2jx2 s GLN 102 N -3.98 1.81 -0.08 2.72 -0.21 -1.26 0.18 119.66 118.84 2jx2 s GLN 102 Ca 0.23 -1.11 0.03 0.00 0.02 0.00 0.00 55.36 54.53 2jx2 s GLN 102 Cb 0.07 -2.02 0.00 0.00 1.00 0.00 0.00 33.01 32.07 2jx2 s GLN 102 CO 0.02 0.51 -0.18 -1.17 -2.12 0.00 0.00 175.29 172.35 2jx2 s LEU 103 N -1.41 1.88 -0.13 2.90 2.96 -1.04 -4.21 118.68 119.63 2jx2 s LEU 103 Ca 0.13 -0.42 0.02 0.00 -0.22 0.00 0.00 54.13 53.63 2jx2 s LEU 103 Cb -0.10 -1.11 -0.00 0.00 0.50 0.00 0.00 46.19 45.48 2jx2 s LEU 103 CO 0.03 0.11 -0.19 -0.54 -1.32 0.00 0.00 176.35 174.44 2jx2 s LYS 104 N 0.41 3.15 0.02 1.98 1.02 -0.62 -3.71 119.74 121.99 2jx2 s LYS 104 Ca -0.14 -0.80 0.01 0.00 0.02 0.00 0.00 55.97 55.06 2jx2 s LYS 104 Cb -0.16 -2.49 -0.04 0.00 -0.52 0.00 0.00 37.83 34.62 2jx2 s LYS 104 CO 0.06 0.08 0.04 0.08 -0.92 0.00 0.00 175.35 174.69 2jx2 s VAL 105 N 0.62 4.42 0.00 3.17 1.01 -1.25 -1.05 120.40 127.31 2jx2 s VAL 105 Ca -0.10 -0.58 0.00 0.00 0.00 0.00 0.00 61.98 61.29 2jx2 s VAL 105 Cb -0.16 -3.03 0.00 0.00 0.00 0.00 0.00 36.38 33.19 2jx2 s VAL 105 CO 0.03 0.31 0.00 0.59 0.00 0.00 0.00 175.10 176.03 2jx2 n ASN 106 N 1.11 0.00 -4.75 3.32 3.02 0.34 -4.83 115.26 113.48 2jx2 n ASN 106 Ca -0.13 -0.59 -0.36 0.00 -0.03 0.00 0.00 54.58 53.48 2jx2 n ASN 106 Cb 0.52 0.00 -0.08 0.00 -0.61 0.00 0.00 39.78 39.61 2jx2 n ASN 106 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2jx2 s ILE 107 N -2.85 5.10 0.00 2.41 -1.09 -1.26 -0.34 121.20 123.17 2jx2 s ILE 107 Ca 0.00 0.06 0.00 0.00 -2.23 0.00 0.00 60.65 58.48 2jx2 s ILE 107 Cb 0.00 -3.25 0.00 0.00 -1.58 0.00 0.00 42.46 37.63 2jx2 s ILE 107 CO 0.00 0.54 0.00 0.00 -1.23 0.00 0.00 174.94 174.25 2jx2 n ALA 108 N 2.75 0.00 -1.38 9.38 0.00 -1.24 -4.61 120.51 125.40 2jx2 n ALA 108 Ca -0.18 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 52.87 2jx2 n ALA 108 Cb 0.53 0.00 0.02 0.00 0.00 0.00 0.00 19.45 20.01 2jx2 n ALA 108 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2jx2 n ARG 109 N 0.00 0.32 0.00 0.00 5.12 -1.26 -4.77 116.66 116.07 2jx2 n ARG 109 Ca 0.00 0.12 0.11 0.00 -1.93 0.00 0.00 57.85 56.15 2jx2 n ARG 109 Cb 0.00 -1.41 0.62 0.00 -1.16 0.00 0.00 32.46 30.51 2jx2 n ARG 109 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 2jx2 n LYS 110 N 0.59 0.57 -2.54 5.56 5.02 -1.26 -4.28 118.16 121.82 2jx2 n LYS 110 Ca 0.10 0.03 -0.04 0.00 -2.02 0.00 0.00 58.31 56.38 2jx2 n LYS 110 Cb 0.46 -1.50 -0.04 0.00 -0.02 0.00 0.00 35.03 33.94 2jx2 n LYS 110 CO 0.00 0.00 0.00 0.94 -0.52 0.00 0.00 177.40 177.82 2jx2 n GLN 111 N -1.09 -4.15 0.21 1.97 -0.06 -1.26 -2.01 117.38 110.98 2jx2 n GLN 111 Ca 0.15 3.18 0.07 0.00 -2.00 0.00 0.00 57.00 58.39 2jx2 n GLN 111 Cb 0.11 -4.89 0.43 0.00 -4.06 0.00 0.00 30.24 21.83 2jx2 n GLN 111 CO 0.00 0.00 0.00 -1.00 -0.20 0.00 0.00 177.06 175.86 2jx2 h PRO 112 N 3.65 0.00 -1.18 3.69 0.13 -1.93 0.79 132.00 137.15 2jx2 h PRO 112 Ca -0.44 0.00 0.34 0.00 -0.87 0.00 0.00 66.00 65.03 2jx2 h PRO 112 Cb 0.99 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.08 2jx2 h PRO 112 CO 0.03 0.31 1.07 1.98 -0.23 0.00 0.00 178.00 181.15 2jx2 h MET 113 N 0.00 0.00 0.00 0.86 1.85 -1.91 -3.20 114.93 112.54 2jx2 h MET 113 Ca -0.00 0.00 -0.04 0.00 -0.61 0.00 0.00 59.70 59.05 2jx2 h MET 113 Cb 0.74 0.00 -0.04 0.00 0.43 0.00 0.00 31.60 32.72 2jx2 h MET 113 CO 0.04 0.00 -0.09 -0.11 -0.40 0.00 0.00 176.91 176.35 2jx2 n LEU 114 N -3.66 -0.32 -3.45 3.39 0.00 -1.17 -4.18 117.00 107.61 2jx2 n LEU 114 Ca 0.26 -0.67 -0.23 0.00 0.00 0.00 0.00 56.01 55.37 2jx2 n LEU 114 Cb 1.44 0.00 -0.02 0.00 0.00 0.00 0.00 43.42 44.84 2jx2 n LEU 114 CO 0.32 0.83 -0.06 0.47 0.00 0.00 0.00 177.39 178.96 2jx2 n ASP 115 N 0.00 -2.89 0.00 1.96 8.00 0.27 -2.98 116.55 120.91 2jx2 n ASP 115 Ca -0.09 -0.41 0.00 0.00 0.71 0.00 0.00 54.79 55.00 2jx2 n ASP 115 Cb 0.39 -2.44 0.00 0.00 -0.02 0.00 0.00 41.12 39.05 2jx2 n ASP 115 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2jx2 n ALA 116 N -3.45 0.00 -1.61 2.24 0.00 -0.85 -3.18 120.51 113.65 2jx2 n ALA 116 Ca 0.01 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.44 2jx2 n ALA 116 Cb 0.52 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.96 2jx2 n ALA 116 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jx2 n ALA 117 N 0.13 -0.60 0.01 0.00 0.00 -1.16 0.97 120.51 119.86 2jx2 n ALA 117 Ca 0.00 -0.12 -0.01 0.00 0.00 0.00 0.00 53.44 53.31 2jx2 n ALA 117 Cb 0.00 -0.27 0.29 0.00 0.00 0.00 0.00 19.45 19.46 2jx2 n ALA 117 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jx2 h THR 118 N 0.87 1.21 -3.85 0.00 1.03 -1.73 -3.43 112.91 107.00 2jx2 h THR 118 Ca -0.10 -0.86 -0.45 0.00 -0.01 0.00 0.00 66.41 64.99 2jx2 h THR 118 Cb 0.67 1.02 0.13 0.00 -1.07 0.00 0.00 68.15 68.90 2jx2 h THR 118 CO -0.05 0.29 0.36 -0.83 -0.01 0.00 0.00 175.52 175.27 2jx2 s GLY 119 N -3.88 1.73 0.38 2.99 0.00 -1.26 -4.93 107.32 102.35 2jx2 s GLY 119 Ca -0.07 -1.14 0.10 0.00 0.00 0.00 0.00 44.72 43.61 2jx2 s GLY 119 CO 0.77 -0.49 1.92 1.70 0.00 0.00 0.00 173.10 177.00 2jx2 h LYS 120 N -1.26 0.62 0.00 2.90 3.64 -2.01 -3.52 116.57 116.95 2jx2 h LYS 120 Ca -0.44 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 58.91 2jx2 h LYS 120 Cb 1.27 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.95 2jx2 h LYS 120 CO 0.46 0.41 0.00 0.45 -2.27 0.00 0.00 179.45 178.50