#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 4.22 0.16 0.00 0.04 -1.26 -5.05 135.00 133.10 2jx2 s PRO 36 Ca 0.00 1.94 0.10 0.00 0.04 0.00 0.00 61.00 63.08 2jx2 s PRO 36 Cb 0.00 -2.86 -0.04 0.00 0.04 0.00 0.00 34.50 31.64 2jx2 s PRO 36 CO 0.00 -0.21 -0.22 1.03 0.04 0.00 0.00 177.00 177.64 2jx2 s ARG 37 N -2.03 1.34 0.50 4.56 0.52 -1.26 -5.06 118.95 117.52 2jx2 s ARG 37 Ca 0.53 -1.39 0.00 0.00 -0.52 0.00 0.00 55.73 54.35 2jx2 s ARG 37 Cb -0.34 -1.60 0.00 0.00 0.52 0.00 0.00 34.95 33.54 2jx2 s ARG 37 CO 0.43 0.35 0.00 1.63 0.02 0.00 0.00 175.30 177.73 2jx2 n LYS 38 N 0.53 0.00 0.00 3.54 5.02 -1.26 -4.79 118.16 121.20 2jx2 n LYS 38 Ca -0.15 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.14 2jx2 n LYS 38 Cb 0.55 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.56 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 0.00 -0.34 3.64 0.72 0.00 0.72 -4.79 105.19 105.14 2jx2 n GLY 39 Ca 0.00 0.14 -0.43 0.00 0.00 0.00 0.00 46.02 45.73 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 6.94 0.49 1.61 2.47 0.58 -3.93 114.94 123.10 2jx2 s ASN 40 Ca 0.00 1.08 -0.20 0.00 0.42 0.00 0.00 52.86 54.16 2jx2 s ASN 40 Cb 0.00 -2.53 -0.08 0.00 -1.45 0.00 0.00 41.25 37.18 2jx2 s ASN 40 CO 0.00 -0.83 1.03 -0.89 -3.72 0.00 0.00 177.10 172.69 2jx2 s THR 41 N 3.52 3.87 0.06 -5.21 2.01 -1.25 0.13 115.64 118.79 2jx2 s THR 41 Ca 0.44 1.14 0.07 0.00 0.31 0.00 0.00 61.69 63.65 2jx2 s THR 41 Cb -0.13 -3.47 -0.03 0.00 0.01 0.00 0.00 72.50 68.89 2jx2 s THR 41 CO 0.14 -0.28 -0.19 -0.76 -0.69 0.00 0.00 174.62 172.84 2jx2 s LEU 42 N -3.55 2.22 -0.32 4.42 1.02 0.64 -2.87 118.68 120.24 2jx2 s LEU 42 Ca 0.66 -0.57 -0.11 0.00 0.02 0.00 0.00 54.13 54.13 2jx2 s LEU 42 Cb -0.15 -0.82 -0.01 0.00 0.02 0.00 0.00 46.19 45.23 2jx2 s LEU 42 CO 0.21 0.08 0.19 -0.47 0.02 0.00 0.00 176.35 176.37 2jx2 s TYR 43 N -0.98 3.20 0.01 0.29 5.04 -0.09 -2.27 117.35 122.55 2jx2 s TYR 43 Ca 0.05 -0.42 0.05 0.00 -2.44 0.00 0.00 57.07 54.30 2jx2 s TYR 43 Cb -0.09 -2.41 -0.03 0.00 0.35 0.00 0.00 41.96 39.78 2jx2 s TYR 43 CO 0.03 -0.42 -0.12 0.08 -1.34 0.00 0.00 175.55 173.77 2jx2 s VAL 44 N 1.66 3.21 0.01 3.14 1.01 0.29 -0.03 120.40 129.70 2jx2 s VAL 44 Ca 0.05 -0.93 0.02 0.00 0.00 0.00 0.00 61.98 61.12 2jx2 s VAL 44 Cb -0.17 -2.36 -0.01 0.00 0.00 0.00 0.00 36.38 33.84 2jx2 s VAL 44 CO 0.08 0.40 -0.06 -0.47 0.00 0.00 0.00 175.10 175.05 2jx2 s TYR 45 N -0.93 0.51 -3.19 5.22 5.04 -0.32 -0.45 117.35 123.23 2jx2 s TYR 45 Ca 0.15 -0.22 0.00 0.00 -2.44 0.00 0.00 57.07 54.56 2jx2 s TYR 45 Cb -0.11 -0.32 0.00 0.00 0.35 0.00 0.00 41.96 41.88 2jx2 s TYR 45 CO 0.06 -0.03 0.00 0.41 -1.34 0.00 0.00 175.55 174.64 2jx2 n GLY 46 N 2.46 -1.81 3.76 8.97 0.00 -0.93 -1.94 105.19 115.70 2jx2 n GLY 46 Ca -0.16 -1.15 -0.23 0.00 0.00 0.00 0.00 46.02 44.48 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 -1.64 2.73 -1.60 1.61 2.02 -1.26 -4.55 118.70 116.00 2jx2 s GLU 47 Ca 0.00 -1.11 -0.08 0.00 0.02 0.00 0.00 54.97 53.80 2jx2 s GLU 47 Cb 0.00 -2.47 0.08 0.00 0.10 0.00 0.00 34.13 31.84 2jx2 s GLU 47 CO 0.00 0.41 0.41 -0.25 0.02 0.00 0.00 175.26 175.85 2jx2 n ASP 48 N -0.86 -0.88 -4.73 -0.19 8.00 -1.26 -4.87 116.55 111.76 2jx2 n ASP 48 Ca -0.08 -1.13 -0.40 0.00 0.71 0.00 0.00 54.79 53.89 2jx2 n ASP 48 Cb 0.57 -2.28 -0.05 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 -7.02 4.46 0.26 -1.24 -1.94 -1.26 -5.06 119.30 107.50 2jx2 s MET 49 Ca 0.32 0.99 0.11 0.00 -1.71 0.00 0.00 55.69 55.40 2jx2 s MET 49 Cb -0.18 -3.40 -0.05 0.00 2.01 0.00 0.00 34.83 33.21 2jx2 s MET 49 CO 0.96 0.17 -0.19 0.95 -0.01 0.00 0.00 175.02 176.90 2jx2 s THR 50 N 0.38 2.32 0.09 2.05 -4.23 -1.26 -5.01 115.64 109.98 2jx2 s THR 50 Ca 0.39 -2.35 -0.15 0.00 -1.18 0.00 0.00 61.69 58.39 2jx2 s THR 50 Cb -0.19 -2.24 -0.10 0.00 1.34 0.00 0.00 72.50 71.31 2jx2 s THR 50 CO 0.21 -0.43 1.39 1.55 -0.54 0.00 0.00 174.62 176.80 2jx2 h PRO 51 N 2.37 0.67 -0.18 3.99 0.13 -1.97 -2.20 132.00 134.81 2jx2 h PRO 51 Ca -0.40 -0.38 -0.02 0.00 -0.87 0.00 0.00 66.00 64.33 2jx2 h PRO 51 Cb 1.25 0.03 -0.01 0.00 0.13 0.00 0.00 31.00 32.40 2jx2 h PRO 51 CO 0.60 0.99 0.04 1.15 -0.23 0.00 0.00 178.00 180.55 2jx2 h THR 52 N 0.40 1.21 0.04 1.56 2.02 -1.99 0.35 112.91 116.50 2jx2 h THR 52 Ca 0.03 -0.68 0.02 0.00 0.77 0.00 0.00 66.41 66.55 2jx2 h THR 52 Cb 0.90 1.32 -0.02 0.00 -1.74 0.00 0.00 68.15 68.60 2jx2 h THR 52 CO 0.08 0.21 -0.13 0.25 0.37 0.00 0.00 175.52 176.29 2jx2 h LEU 53 N 0.10 -0.37 -0.48 2.58 5.85 -1.98 -2.19 115.31 118.82 2jx2 h LEU 53 Ca 0.06 0.05 0.03 0.00 0.84 0.00 0.00 57.88 58.86 2jx2 h LEU 53 Cb 0.28 0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.43 2jx2 h LEU 53 CO 0.00 -0.19 0.25 -0.07 -0.34 0.00 0.00 178.44 178.10 2jx2 h LEU 54 N -0.24 0.38 -1.39 2.25 3.38 -1.30 -0.65 115.31 117.74 2jx2 h LEU 54 Ca 0.03 0.02 0.27 0.00 0.09 0.00 0.00 57.88 58.29 2jx2 h LEU 54 Cb 0.28 -0.06 -0.09 0.00 0.09 0.00 0.00 40.66 40.88 2jx2 h LEU 54 CO -0.10 0.27 0.68 -0.09 0.09 0.00 0.00 178.44 179.28 2jx2 h ARG 55 N 0.50 0.36 -0.12 1.13 2.43 -0.34 0.60 114.38 118.96 2jx2 h ARG 55 Ca 0.20 -0.02 -0.19 0.00 -0.81 0.00 0.00 59.98 59.17 2jx2 h ARG 55 Cb 0.09 -0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 29.55 2jx2 h ARG 55 CO -0.13 0.24 -0.70 0.78 -1.51 0.00 0.00 179.97 178.65 2jx2 h GLY 56 N 0.37 0.56 2.00 2.80 0.00 -0.57 1.45 103.07 109.69 2jx2 h GLY 56 Ca 0.60 -0.76 -0.09 0.00 0.00 0.00 0.00 47.33 47.08 2jx2 h GLY 56 CO -0.29 0.68 -0.42 0.00 0.00 0.00 0.00 176.54 176.51 2jx2 h ALA 57 N 0.88 1.03 -0.22 3.60 0.00 0.56 -3.03 119.26 122.08 2jx2 h ALA 57 Ca -0.03 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.50 2jx2 h ALA 57 Cb 1.27 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.00 2jx2 h ALA 57 CO 0.13 0.52 0.00 1.19 0.00 0.00 0.00 179.25 181.09 2jx2 n PHE 58 N -3.63 0.29 0.09 0.00 3.01 0.47 -4.52 117.46 113.16 2jx2 n PHE 58 Ca -0.01 -0.45 -0.07 0.00 1.01 0.00 0.00 57.45 57.94 2jx2 n PHE 58 Cb 0.52 -0.03 -0.04 0.00 -0.01 0.00 0.00 39.48 39.92 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 1.42 -0.28 0.55 4.37 0.87 0.21 -3.18 113.55 117.52 2jx2 h SER 59 Ca 0.00 -0.07 -0.07 0.00 -1.23 0.00 0.00 61.79 60.41 2jx2 h SER 59 Cb 0.62 0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 62.64 2jx2 h SER 59 CO 0.00 0.21 -0.34 1.55 -0.53 0.00 0.00 176.83 177.72 2jx2 h PRO 60 N -1.06 0.00 -0.20 2.24 0.13 -1.81 -2.93 132.00 128.37 2jx2 h PRO 60 Ca -0.03 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 65.01 2jx2 h PRO 60 Cb 0.34 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.45 2jx2 h PRO 60 CO 0.05 0.34 -0.27 0.74 -0.23 0.00 0.00 178.00 178.64 2jx2 h PHE 61 N 0.00 0.43 0.00 1.56 -1.00 -1.80 -3.48 116.94 112.65 2jx2 h PHE 61 Ca -0.00 -0.09 0.00 0.00 2.81 0.00 0.00 57.97 60.69 2jx2 h PHE 61 Cb 0.71 -0.11 0.00 0.00 3.61 0.00 0.00 35.95 40.16 2jx2 h PHE 61 CO 0.00 0.62 0.00 0.41 -1.61 0.00 0.00 178.31 177.73 2jx2 n GLY 62 N -0.42 -1.21 3.84 -1.45 0.00 -1.11 -4.64 105.19 100.20 2jx2 n GLY 62 Ca -0.01 -0.93 -0.38 0.00 0.00 0.00 0.00 46.02 44.71 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 -1.97 6.73 -0.19 1.61 0.01 -1.26 -4.33 114.94 115.54 2jx2 s ASN 63 Ca 0.00 0.87 -0.08 0.00 -0.71 0.00 0.00 52.86 52.93 2jx2 s ASN 63 Cb 0.00 -2.22 -0.04 0.00 0.41 0.00 0.00 41.25 39.40 2jx2 s ASN 63 CO 0.00 0.32 0.09 -0.63 -1.51 0.00 0.00 177.10 175.37 2jx2 s ILE 64 N -0.97 5.03 -0.21 0.60 1.01 -1.26 -2.28 121.20 123.11 2jx2 s ILE 64 Ca 0.22 0.05 0.22 0.00 0.00 0.00 0.00 60.65 61.14 2jx2 s ILE 64 Cb -0.16 -3.27 -0.19 0.00 0.01 0.00 0.00 42.46 38.85 2jx2 s ILE 64 CO 0.11 0.46 0.75 2.30 0.00 0.00 0.00 174.94 178.57 2jx2 n ILE 65 N 3.46 0.22 -3.82 2.92 -5.35 -0.77 -4.94 119.36 111.08 2jx2 n ILE 65 Ca -0.16 -0.46 -0.12 0.00 -0.27 0.00 0.00 62.75 61.73 2jx2 n ILE 65 Cb 0.52 -0.04 -0.11 0.00 -1.74 0.00 0.00 39.64 38.27 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 -4.65 -0.12 -0.23 7.28 2.15 -1.26 -5.01 116.67 114.83 2jx2 s ASP 66 Ca -0.03 0.15 0.01 0.00 0.43 0.00 0.00 52.55 53.10 2jx2 s ASP 66 Cb 0.13 0.33 0.06 0.00 -0.30 0.00 0.00 42.92 43.13 2jx2 s ASP 66 CO 0.85 -0.21 -0.05 -0.22 -0.17 0.00 0.00 175.17 175.37 2jx2 s LEU 67 N -0.56 2.46 -0.07 -1.34 1.98 -1.26 -2.17 118.68 117.72 2jx2 s LEU 67 Ca -0.07 -1.13 0.05 0.00 -2.89 0.00 0.00 54.13 50.10 2jx2 s LEU 67 Cb -0.04 -1.15 -0.01 0.00 0.66 0.00 0.00 46.19 45.65 2jx2 s LEU 67 CO 0.01 -0.23 -0.22 -0.44 -1.89 0.00 0.00 176.35 173.58 2jx2 s SER 68 N 1.42 3.35 0.08 3.68 0.01 0.42 -5.01 113.70 117.65 2jx2 s SER 68 Ca -0.05 -0.44 0.10 0.00 1.31 0.00 0.00 55.95 56.86 2jx2 s SER 68 Cb -0.19 -0.99 -0.03 0.00 0.21 0.00 0.00 66.02 65.02 2jx2 s SER 68 CO -0.06 0.24 -0.26 -0.04 0.41 0.00 0.00 173.24 173.53 2jx2 s MET 69 N -0.14 1.61 -0.39 12.44 -1.94 -1.26 0.16 119.30 129.77 2jx2 s MET 69 Ca -0.03 -1.18 0.01 0.00 -1.71 0.00 0.00 55.69 52.78 2jx2 s MET 69 Cb -0.14 -1.89 0.12 0.00 2.01 0.00 0.00 34.83 34.93 2jx2 s MET 69 CO 0.04 0.47 0.18 -0.51 -0.01 0.00 0.00 175.02 175.19 2jx2 s ASP 70 N -1.53 3.88 0.28 3.03 1.11 0.30 -4.88 116.67 118.85 2jx2 s ASP 70 Ca 0.12 -2.28 0.14 0.00 0.18 0.00 0.00 52.55 50.70 2jx2 s ASP 70 Cb -0.10 -1.04 0.32 0.00 1.07 0.00 0.00 42.92 43.17 2jx2 s ASP 70 CO 0.03 -0.32 1.57 1.55 1.18 0.00 0.00 175.17 179.18 2jx2 h PRO 71 N 7.23 0.00 0.00 8.23 0.13 -1.95 0.60 132.00 146.24 2jx2 h PRO 71 Ca -0.05 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.05 2jx2 h PRO 71 Cb 0.96 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.09 2jx2 h PRO 71 CO 0.49 0.58 -0.11 -1.00 -0.23 0.00 0.00 178.00 177.72 2jx2 h PRO 72 N 0.00 0.00 -0.08 1.56 0.13 -1.93 -3.17 132.00 128.51 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 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2jx2 h PRO 72 CO 0.08 0.11 0.00 0.54 -0.23 0.00 0.00 178.00 178.50 2jx2 n ARG 73 N -3.18 1.13 -3.49 0.86 1.74 -1.22 -4.99 116.66 107.51 2jx2 n ARG 73 Ca 0.02 -1.24 -0.19 0.00 -0.77 0.00 0.00 57.85 55.67 2jx2 n ARG 73 Cb 0.46 -1.12 0.08 0.00 -1.02 0.00 0.00 32.46 30.86 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 0.19 -2.72 -3.70 0.55 3.02 -0.81 -4.92 115.26 106.86 2jx2 n ASN 74 Ca 0.04 -0.63 -0.13 0.00 -0.03 0.00 0.00 54.58 53.84 2jx2 n ASN 74 Cb 0.23 -4.99 -0.07 0.00 -0.61 0.00 0.00 39.78 34.34 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 -2.30 1.93 -0.10 0.00 0.00 0.41 0.11 121.76 121.80 2jx2 s ALA 76 Ca -0.07 -1.62 0.02 0.00 0.00 0.00 0.00 51.96 50.29 2jx2 s ALA 76 Cb -0.01 -0.07 0.01 0.00 0.00 0.00 0.00 23.12 23.05 2jx2 s ALA 76 CO -0.01 0.05 -0.16 -0.06 0.00 0.00 0.00 175.76 175.59 2jx2 s PHE 77 N -2.95 1.97 -0.00 0.00 0.08 0.42 -0.55 117.98 116.95 2jx2 s PHE 77 Ca 0.21 -0.90 0.07 0.00 0.12 0.00 0.00 56.93 56.43 2jx2 s PHE 77 Cb -0.01 -1.41 -0.02 0.00 -0.57 0.00 0.00 43.02 41.01 2jx2 s PHE 77 CO 0.06 -0.45 -0.23 0.08 -0.10 0.00 0.00 175.22 174.58 2jx2 s VAL 78 N 0.91 2.38 -0.17 -0.44 1.01 -0.96 -0.44 120.40 122.68 2jx2 s VAL 78 Ca -0.08 -1.10 -0.04 0.00 0.00 0.00 0.00 61.98 60.75 2jx2 s VAL 78 Cb -0.15 -1.90 -0.03 0.00 0.00 0.00 0.00 36.38 34.31 2jx2 s VAL 78 CO -0.00 0.50 -0.03 -0.89 0.00 0.00 0.00 175.10 174.68 2jx2 s THR 79 N -0.72 3.87 0.05 3.92 2.01 -0.92 0.23 115.64 124.09 2jx2 s THR 79 Ca 0.11 -0.36 0.01 0.00 0.31 0.00 0.00 61.69 61.77 2jx2 s THR 79 Cb -0.10 -2.72 -0.04 0.00 0.01 0.00 0.00 72.50 69.65 2jx2 s THR 79 CO 0.01 0.47 0.11 -0.31 -0.69 0.00 0.00 174.62 174.21 2jx2 s TYR 80 N 0.61 3.30 -0.07 4.92 2.02 0.35 -1.85 117.35 126.63 2jx2 s TYR 80 Ca -0.02 0.15 0.23 0.00 -0.37 0.00 0.00 57.07 57.07 2jx2 s TYR 80 Cb -0.14 -1.68 0.67 0.00 -0.40 0.00 0.00 41.96 40.40 2jx2 s TYR 80 CO 0.02 0.55 1.72 1.49 -1.57 0.00 0.00 175.55 177.76 2jx2 h GLU 81 N 3.43 0.00 -4.70 -0.62 4.81 -1.76 1.73 114.58 117.47 2jx2 h GLU 81 Ca -0.47 0.00 -0.44 0.00 -0.13 0.00 0.00 59.36 58.32 2jx2 h GLU 81 Cb 1.17 0.00 -0.31 0.00 0.63 0.00 0.00 28.75 30.24 2jx2 h GLU 81 CO 0.68 0.20 -0.79 0.15 -0.73 0.00 0.00 179.01 178.52 2jx2 s LYS 82 N -3.40 1.03 0.48 1.92 1.02 -1.26 -4.09 119.74 115.43 2jx2 s LYS 82 Ca 0.03 -0.34 0.32 0.00 0.02 0.00 0.00 55.97 56.00 2jx2 s LYS 82 Cb 0.08 -0.95 1.73 0.00 -0.52 0.00 0.00 37.83 38.17 2jx2 s LYS 82 CO 0.65 0.14 1.99 0.52 -0.92 0.00 0.00 175.35 177.74 2jx2 h MET 83 N 6.31 0.00 -0.24 1.68 2.86 -1.90 -1.74 114.93 121.90 2jx2 h MET 83 Ca -0.33 0.00 -0.14 0.00 -2.06 0.00 0.00 59.70 57.17 2jx2 h MET 83 Cb 1.17 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.83 2jx2 h MET 83 CO 0.49 0.00 -0.42 0.93 1.06 0.00 0.00 176.91 178.97 2jx2 h GLU 84 N 0.00 0.70 -0.94 1.72 5.08 -1.97 -2.65 114.58 116.51 2jx2 h GLU 84 Ca 0.00 -0.44 0.00 0.00 -1.00 0.00 0.00 59.36 57.93 2jx2 h GLU 84 Cb 0.04 0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.29 2jx2 h GLU 84 CO 0.00 1.06 0.61 1.03 -1.00 0.00 0.00 179.01 180.70 2jx2 h SER 85 N 0.42 1.10 -0.59 1.42 0.87 -1.57 -0.75 113.55 114.45 2jx2 h SER 85 Ca 0.02 -0.04 -0.05 0.00 -1.23 0.00 0.00 61.79 60.49 2jx2 h SER 85 Cb 1.01 -0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 62.67 2jx2 h SER 85 CO 0.09 0.81 0.17 0.00 -0.53 0.00 0.00 176.83 177.37 2jx2 h ALA 86 N 1.39 0.77 -0.64 6.23 0.00 -1.54 0.64 119.26 126.11 2jx2 h ALA 86 Ca 0.34 -0.21 -0.09 0.00 0.00 0.00 0.00 54.91 54.96 2jx2 h ALA 86 Cb -0.12 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.42 2jx2 h ALA 86 CO -0.07 0.45 0.05 0.22 0.00 0.00 0.00 179.25 179.89 2jx2 h ASP 87 N 0.83 1.05 -0.36 0.00 3.58 -1.03 0.61 116.42 121.11 2jx2 h ASP 87 Ca 0.19 -0.28 -0.13 0.00 0.42 0.00 0.00 57.03 57.23 2jx2 h ASP 87 Cb 0.30 -0.28 -0.01 0.00 1.72 0.00 0.00 39.33 41.07 2jx2 h ASP 87 CO -0.00 1.08 -0.28 -0.61 -2.88 0.00 0.00 179.24 176.54 2jx2 h GLN 88 N 1.00 0.82 -0.07 0.28 4.15 -0.87 -1.87 115.11 118.56 2jx2 h GLN 88 Ca 0.19 -0.41 -0.17 0.00 0.77 0.00 0.00 58.65 59.03 2jx2 h GLN 88 Cb 0.51 0.00 0.01 0.00 0.21 0.00 0.00 27.48 28.21 2jx2 h GLN 88 CO 0.02 1.04 -0.60 0.00 -1.93 0.00 0.00 178.83 177.36 2jx2 h ALA 89 N 0.76 0.16 -0.30 3.38 0.00 -0.70 -1.43 119.26 121.13 2jx2 h ALA 89 Ca 0.07 -0.55 0.00 0.00 0.00 0.00 0.00 54.91 54.43 2jx2 h ALA 89 Cb 0.86 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 2jx2 h ALA 89 CO 0.07 0.43 0.19 0.28 0.00 0.00 0.00 179.25 180.22 2jx2 h VAL 90 N 0.11 1.08 0.00 0.00 2.07 0.23 1.17 116.25 120.92 2jx2 h VAL 90 Ca -0.06 -0.18 -0.01 0.00 0.82 0.00 0.00 66.70 67.28 2jx2 h VAL 90 Cb 1.27 0.65 -0.00 0.00 -1.52 0.00 0.00 31.29 31.69 2jx2 h VAL 90 CO 0.12 0.09 -0.04 0.00 0.02 0.00 0.00 177.57 177.75 2jx2 h ALA 91 N 1.80 0.01 -0.13 1.67 0.00 -1.30 -2.21 119.26 119.10 2jx2 h ALA 91 Ca 0.11 -0.47 -0.13 0.00 0.00 0.00 0.00 54.91 54.41 2jx2 h ALA 91 Cb -0.03 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2jx2 h ALA 91 CO -0.02 0.03 -0.44 0.93 0.00 0.00 0.00 179.25 179.74 2jx2 h GLU 92 N -1.00 0.52 -0.28 0.00 4.39 -1.12 -3.23 114.58 113.87 2jx2 h GLU 92 Ca -0.01 -0.39 -0.12 0.00 0.34 0.00 0.00 59.36 59.17 2jx2 h GLU 92 Cb 0.91 0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.62 2jx2 h GLU 92 CO -0.01 1.02 -0.33 -0.07 -1.16 0.00 0.00 179.01 178.46 2jx2 h LEU 93 N 0.14 0.63 -9.48 1.33 3.38 0.12 -3.42 115.31 108.01 2jx2 h LEU 93 Ca -0.02 -0.25 -0.53 0.00 0.09 0.00 0.00 57.88 57.16 2jx2 h LEU 93 Cb 1.07 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.64 2jx2 h LEU 93 CO 0.09 0.91 0.47 0.21 0.09 0.00 0.00 178.44 180.22 2jx2 s ASN 94 N -6.82 7.22 0.00 -0.43 2.47 -0.83 -3.27 114.94 113.28 2jx2 s ASN 94 Ca -0.08 1.88 0.00 0.00 0.42 0.00 0.00 52.86 55.08 2jx2 s ASN 94 Cb 0.13 -2.58 0.00 0.00 -1.45 0.00 0.00 41.25 37.35 2jx2 s ASN 94 CO 0.82 -0.35 0.00 0.61 -3.72 0.00 0.00 177.10 174.46 2jx2 n GLY 95 N 2.94 0.87 3.48 1.21 0.00 -1.25 -4.81 105.19 107.63 2jx2 n GLY 95 Ca 0.07 -0.29 -0.26 0.00 0.00 0.00 0.00 46.02 45.54 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 2.62 0.12 2.61 -4.23 -1.20 -5.06 115.64 108.49 2jx2 s THR 96 Ca 0.00 -2.07 0.08 0.00 -1.18 0.00 0.00 61.69 58.51 2jx2 s THR 96 Cb 0.00 -2.31 -0.04 0.00 1.34 0.00 0.00 72.50 71.49 2jx2 s THR 96 CO 0.00 -0.22 -0.18 -1.58 -0.54 0.00 0.00 174.62 172.10 2jx2 s GLN 97 N -3.02 1.13 0.00 3.99 0.74 -1.26 -2.21 119.66 119.03 2jx2 s GLN 97 Ca 0.25 -1.23 0.00 0.00 0.05 0.00 0.00 55.36 54.43 2jx2 s GLN 97 Cb -0.07 -1.25 0.00 0.00 1.10 0.00 0.00 33.01 32.79 2jx2 s GLN 97 CO 0.13 0.27 0.00 0.28 -0.55 0.00 0.00 175.29 175.42 2jx2 n VAL 98 N 0.78 0.00 -0.35 1.34 0.31 0.20 -4.95 118.33 115.67 2jx2 n VAL 98 Ca -0.17 0.00 0.06 0.00 -0.01 0.00 0.00 64.34 64.22 2jx2 n VAL 98 Cb 0.55 -0.81 0.24 0.00 -0.91 0.00 0.00 33.84 32.91 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 0.98 0.00 5.55 4.39 -2.03 -3.35 114.58 120.12 2jx2 h GLU 99 Ca 0.00 -0.06 -0.11 0.00 0.34 0.00 0.00 59.36 59.53 2jx2 h GLU 99 Cb 0.00 -0.22 -0.11 0.00 -0.10 0.00 0.00 28.75 28.32 2jx2 h GLU 99 CO 0.00 0.65 -0.25 0.45 -1.16 0.00 0.00 179.01 178.70 2jx2 n SER 100 N -4.57 -0.80 -3.96 1.42 2.88 -1.26 -5.12 113.62 102.21 2jx2 n SER 100 Ca 0.17 -1.83 -0.10 0.00 -1.33 0.00 0.00 58.87 55.79 2jx2 n SER 100 Cb 0.31 0.24 -0.11 0.00 -0.75 0.00 0.00 64.21 63.89 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 0.09 0.02 2.46 1.01 -1.26 -5.11 120.40 117.62 2jx2 s VAL 101 Ca 0.00 -0.74 -0.10 0.00 0.00 0.00 0.00 61.98 61.15 2jx2 s VAL 101 Cb 0.01 -0.22 -0.05 0.00 0.00 0.00 0.00 36.38 36.11 2jx2 s VAL 101 CO -0.00 -0.41 0.34 -1.10 0.00 0.00 0.00 175.10 173.93 2jx2 s GLN 102 N -1.19 3.71 -0.10 2.72 -0.21 -1.26 0.61 119.66 123.94 2jx2 s GLN 102 Ca -0.13 0.12 -0.01 0.00 0.02 0.00 0.00 55.36 55.36 2jx2 s GLN 102 Cb -0.08 -3.09 -0.03 0.00 1.00 0.00 0.00 33.01 30.81 2jx2 s GLN 102 CO -0.01 0.64 -0.05 -0.51 -2.12 0.00 0.00 175.29 173.24 2jx2 s LEU 103 N -1.60 3.23 -0.08 2.90 1.43 -0.94 -4.55 118.68 119.07 2jx2 s LEU 103 Ca 0.28 -0.04 0.02 0.00 -1.03 0.00 0.00 54.13 53.36 2jx2 s LEU 103 Cb -0.14 -1.73 0.01 0.00 0.03 0.00 0.00 46.19 44.36 2jx2 s LEU 103 CO 0.15 0.30 -0.15 -0.54 0.23 0.00 0.00 176.35 176.33 2jx2 s LYS 104 N -0.41 2.11 0.05 1.70 1.02 -0.82 -3.97 119.74 119.42 2jx2 s LYS 104 Ca 0.06 -0.55 0.09 0.00 0.02 0.00 0.00 55.97 55.60 2jx2 s LYS 104 Cb -0.12 -1.71 -0.03 0.00 -0.52 0.00 0.00 37.83 35.45 2jx2 s LYS 104 CO 0.02 0.04 -0.25 0.08 -0.92 0.00 0.00 175.35 174.32 2jx2 s VAL 105 N 0.68 2.03 0.00 3.17 1.01 -1.26 -1.18 120.40 124.86 2jx2 s VAL 105 Ca -0.13 -1.39 0.00 0.00 0.00 0.00 0.00 61.98 60.46 2jx2 s VAL 105 Cb -0.16 -1.75 0.00 0.00 0.00 0.00 0.00 36.38 34.47 2jx2 s VAL 105 CO 0.04 0.29 0.00 0.59 0.00 0.00 0.00 175.10 176.02 2jx2 n ASN 106 N 1.69 0.00 -4.49 3.32 3.02 0.96 -4.78 115.26 114.97 2jx2 n ASN 106 Ca -0.17 -0.57 -0.36 0.00 -0.03 0.00 0.00 54.58 53.45 2jx2 n ASN 106 Cb 0.52 0.00 -0.12 0.00 -0.61 0.00 0.00 39.78 39.57 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 -2.90 4.35 0.00 2.41 -1.09 -1.26 -0.92 121.20 121.80 2jx2 s ILE 107 Ca 0.00 -0.17 0.00 0.00 -2.23 0.00 0.00 60.65 58.25 2jx2 s ILE 107 Cb 0.00 -3.00 0.00 0.00 -1.58 0.00 0.00 42.46 37.88 2jx2 s ILE 107 CO 0.00 0.39 0.00 0.00 -1.23 0.00 0.00 174.94 174.10 2jx2 n ALA 108 N 4.42 0.00 -0.85 9.38 0.00 -1.14 -4.52 120.51 127.81 2jx2 n ALA 108 Ca -0.16 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 52.93 2jx2 n ALA 108 Cb 0.52 0.00 0.10 0.00 0.00 0.00 0.00 19.45 20.07 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 -0.55 -0.02 0.00 1.74 -1.26 -4.78 116.66 111.78 2jx2 n ARG 109 Ca 0.00 -0.14 0.05 0.00 -0.77 0.00 0.00 57.85 56.99 2jx2 n ARG 109 Cb 0.00 -1.45 0.26 0.00 -1.02 0.00 0.00 32.46 30.25 2jx2 n ARG 109 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2jx2 n LYS 110 N -0.03 1.14 -2.69 5.56 5.02 -1.26 -4.17 118.16 121.73 2jx2 n LYS 110 Ca 0.01 -0.22 -0.05 0.00 -2.02 0.00 0.00 58.31 56.04 2jx2 n LYS 110 Cb 0.61 -1.17 -0.04 0.00 -0.02 0.00 0.00 35.03 34.41 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 -0.44 -3.98 0.18 1.97 -0.06 -1.26 -0.09 117.38 113.71 2jx2 n GLN 111 Ca 0.08 3.04 0.04 0.00 -2.00 0.00 0.00 57.00 58.16 2jx2 n GLN 111 Cb 0.08 -4.21 0.33 0.00 -4.06 0.00 0.00 30.24 22.39 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 4.34 0.00 -1.23 3.69 0.13 -1.93 0.97 132.00 137.97 2jx2 h PRO 112 Ca -0.45 0.00 0.36 0.00 -0.87 0.00 0.00 66.00 65.04 2jx2 h PRO 112 Cb 1.02 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.10 2jx2 h PRO 112 CO 0.01 0.40 1.08 1.98 -0.23 0.00 0.00 178.00 181.24 2jx2 h MET 113 N 0.00 0.00 0.00 0.86 1.85 -1.94 -3.13 114.93 112.58 2jx2 h MET 113 Ca -0.00 0.00 -0.05 0.00 -0.61 0.00 0.00 59.70 59.03 2jx2 h MET 113 Cb 0.87 0.00 -0.05 0.00 0.43 0.00 0.00 31.60 32.85 2jx2 h MET 113 CO 0.05 0.00 -0.11 -0.11 -0.40 0.00 0.00 176.91 176.34 2jx2 n LEU 114 N -3.70 -0.40 -3.56 3.39 -0.00 -1.17 -4.94 117.00 106.61 2jx2 n LEU 114 Ca 0.27 -0.94 -0.26 0.00 -0.00 0.00 0.00 56.01 55.07 2jx2 n LEU 114 Cb 1.47 0.00 0.01 0.00 -0.00 0.00 0.00 43.42 44.90 2jx2 n LEU 114 CO 0.34 0.97 0.02 0.47 -0.00 0.00 0.00 177.39 179.19 2jx2 n ASP 115 N 0.00 -4.47 0.00 1.96 8.00 0.32 -3.24 116.55 119.12 2jx2 n ASP 115 Ca -0.11 -0.55 0.00 0.00 0.71 0.00 0.00 54.79 54.84 2jx2 n ASP 115 Cb 0.43 -3.63 0.00 0.00 -0.02 0.00 0.00 41.12 37.91 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 -4.00 0.00 -2.71 2.24 0.00 0.87 -3.87 120.51 113.05 2jx2 n ALA 116 Ca -0.00 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.37 2jx2 n ALA 116 Cb 0.54 0.00 0.08 0.00 0.00 0.00 0.00 19.45 20.07 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 0.11 -2.18 -2.46 0.00 0.00 -1.20 0.26 120.51 115.04 2jx2 n ALA 117 Ca 0.00 -0.93 -0.23 0.00 0.00 0.00 0.00 53.44 52.28 2jx2 n ALA 117 Cb 0.00 -2.14 -0.10 0.00 0.00 0.00 0.00 19.45 17.20 2jx2 n ALA 117 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2jx2 s THR 118 N 0.32 2.17 0.00 0.00 -4.23 -1.24 -4.69 115.64 107.97 2jx2 s THR 118 Ca 0.26 -2.28 0.00 0.00 -1.18 0.00 0.00 61.69 58.49 2jx2 s THR 118 Cb 0.25 -2.37 0.00 0.00 1.34 0.00 0.00 72.50 71.72 2jx2 s THR 118 CO -0.15 -0.37 0.00 0.61 -0.54 0.00 0.00 174.62 174.17 2jx2 n GLY 119 N -0.62 0.42 0.40 3.99 0.00 -1.26 -4.90 105.19 103.21 2jx2 n GLY 119 Ca -0.06 -0.90 0.19 0.00 0.00 0.00 0.00 46.02 45.25 2jx2 n GLY 119 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2jx2 h LYS 120 N 0.17 0.29 0.00 1.61 1.57 -2.00 -3.54 116.57 114.66 2jx2 h LYS 120 Ca 0.00 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 2jx2 h LYS 120 Cb 0.00 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.24 2jx2 h LYS 120 CO 0.00 0.19 0.00 0.45 -0.57 0.00 0.00 179.45 179.52