#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jx2 n PRO 36 N 0.00 0.25 -4.65 0.00 -0.04 -1.26 -4.63 135.00 124.67 2jx2 n PRO 36 Ca 0.00 0.13 -0.24 0.00 -0.04 0.00 0.00 63.50 63.35 2jx2 n PRO 36 Cb 0.00 -1.50 -0.16 0.00 -0.04 0.00 0.00 33.50 31.80 2jx2 n PRO 36 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2jx2 s ARG 37 N -2.47 1.46 0.00 0.54 0.52 -1.26 -5.13 118.95 112.60 2jx2 s ARG 37 Ca 0.15 -0.48 0.00 0.00 -0.52 0.00 0.00 55.73 54.88 2jx2 s ARG 37 Cb 0.10 -1.29 0.00 0.00 0.52 0.00 0.00 34.95 34.28 2jx2 s ARG 37 CO 0.21 0.18 0.00 1.63 0.02 0.00 0.00 175.30 177.34 2jx2 n LYS 38 N 3.23 1.22 -3.65 3.54 5.02 -1.26 -5.02 118.16 121.24 2jx2 n LYS 38 Ca -0.18 0.00 -0.01 0.00 -2.02 0.00 0.00 58.31 56.10 2jx2 n LYS 38 Cb 0.53 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 35.53 2jx2 n LYS 38 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 2jx2 s GLY 39 N -0.02 -0.35 -0.31 0.72 0.00 0.23 -4.15 107.32 103.44 2jx2 s GLY 39 Ca 0.00 0.62 0.02 0.00 0.00 0.00 0.00 44.72 45.36 2jx2 s GLY 39 CO 0.00 0.13 0.40 0.21 0.00 0.00 0.00 173.10 173.85 2jx2 s ASN 40 N -2.87 0.55 0.24 1.64 2.47 0.74 -3.47 114.94 114.25 2jx2 s ASN 40 Ca 0.13 -0.61 -0.30 0.00 0.42 0.00 0.00 52.86 52.49 2jx2 s ASN 40 Cb 0.02 1.00 -0.10 0.00 -1.45 0.00 0.00 41.25 40.72 2jx2 s ASN 40 CO -0.02 -0.34 1.51 -0.89 -3.72 0.00 0.00 177.10 173.64 2jx2 s THR 41 N 2.34 2.50 0.21 -5.21 2.01 -1.25 -0.05 115.64 116.19 2jx2 s THR 41 Ca 0.11 0.40 0.11 0.00 0.31 0.00 0.00 61.69 62.63 2jx2 s THR 41 Cb -0.13 -3.26 -0.05 0.00 0.01 0.00 0.00 72.50 69.08 2jx2 s THR 41 CO -0.26 0.06 -0.23 -0.76 -0.69 0.00 0.00 174.62 172.74 2jx2 s LEU 42 N -0.09 2.47 -0.17 4.42 1.43 0.71 -3.98 118.68 123.47 2jx2 s LEU 42 Ca 0.63 -0.91 -0.04 0.00 -1.03 0.00 0.00 54.13 52.78 2jx2 s LEU 42 Cb -0.44 -1.14 -0.02 0.00 0.03 0.00 0.00 46.19 44.62 2jx2 s LEU 42 CO 0.42 0.10 -0.03 -0.47 0.23 0.00 0.00 176.35 176.59 2jx2 s TYR 43 N -1.88 3.00 -0.04 0.29 5.04 -0.13 -2.42 117.35 121.21 2jx2 s TYR 43 Ca 0.23 -0.44 0.04 0.00 -2.44 0.00 0.00 57.07 54.46 2jx2 s TYR 43 Cb -0.07 -2.00 -0.00 0.00 0.35 0.00 0.00 41.96 40.23 2jx2 s TYR 43 CO 0.11 -0.17 -0.16 0.08 -1.34 0.00 0.00 175.55 174.07 2jx2 s VAL 44 N 0.68 1.36 -0.03 3.14 1.01 -0.77 0.20 120.40 125.98 2jx2 s VAL 44 Ca -0.02 -0.69 0.04 0.00 0.00 0.00 0.00 61.98 61.31 2jx2 s VAL 44 Cb -0.14 -1.17 -0.00 0.00 0.00 0.00 0.00 36.38 35.07 2jx2 s VAL 44 CO 0.02 0.39 -0.15 -0.47 0.00 0.00 0.00 175.10 174.89 2jx2 s TYR 45 N -0.03 1.51 0.00 5.22 5.04 0.16 -0.78 117.35 128.46 2jx2 s TYR 45 Ca -0.02 -0.39 0.00 0.00 -2.44 0.00 0.00 57.07 54.22 2jx2 s TYR 45 Cb -0.10 -1.01 0.00 0.00 0.35 0.00 0.00 41.96 41.19 2jx2 s TYR 45 CO 0.01 -0.12 0.00 0.41 -1.34 0.00 0.00 175.55 174.51 2jx2 n GLY 46 N 3.07 1.24 3.35 8.97 0.00 -1.09 -1.60 105.19 119.13 2jx2 n GLY 46 Ca -0.17 -0.73 -0.29 0.00 0.00 0.00 0.00 46.02 44.83 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 -0.16 1.53 -1.36 1.61 2.02 -1.26 -4.73 118.70 116.34 2jx2 s GLU 47 Ca 0.00 -1.20 -0.13 0.00 0.02 0.00 0.00 54.97 53.66 2jx2 s GLU 47 Cb 0.00 -1.84 0.01 0.00 0.10 0.00 0.00 34.13 32.40 2jx2 s GLU 47 CO 0.00 0.46 0.40 -0.25 0.02 0.00 0.00 175.26 175.89 2jx2 n ASP 48 N 1.36 -1.64 -4.81 -0.19 8.00 -1.26 -4.91 116.55 113.10 2jx2 n ASP 48 Ca -0.18 -1.19 -0.37 0.00 0.71 0.00 0.00 54.79 53.77 2jx2 n ASP 48 Cb 0.53 -2.21 -0.07 0.00 -0.02 0.00 0.00 41.12 39.35 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 -7.01 3.87 0.30 -1.24 -1.94 -1.26 -5.09 119.30 106.92 2jx2 s MET 49 Ca 0.21 0.05 0.11 0.00 -1.71 0.00 0.00 55.69 54.34 2jx2 s MET 49 Cb -0.10 -3.29 -0.05 0.00 2.01 0.00 0.00 34.83 33.40 2jx2 s MET 49 CO 0.95 0.55 -0.12 0.95 -0.01 0.00 0.00 175.02 177.34 2jx2 s THR 50 N -0.47 2.56 -0.02 2.05 -4.23 -1.26 -4.98 115.64 109.29 2jx2 s THR 50 Ca 0.17 -2.24 -0.26 0.00 -1.18 0.00 0.00 61.69 58.18 2jx2 s THR 50 Cb -0.13 -2.52 -0.20 0.00 1.34 0.00 0.00 72.50 70.98 2jx2 s THR 50 CO 0.05 -0.32 1.25 1.55 -0.54 0.00 0.00 174.62 176.62 2jx2 h PRO 51 N 2.10 -0.01 -0.52 3.99 0.13 -1.98 -1.95 132.00 133.75 2jx2 h PRO 51 Ca -0.41 0.00 0.09 0.00 -0.87 0.00 0.00 66.00 64.81 2jx2 h PRO 51 Cb 1.25 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.31 2jx2 h PRO 51 CO 0.64 0.47 0.09 1.15 -0.23 0.00 0.00 178.00 180.13 2jx2 h THR 52 N -0.51 0.69 0.67 1.56 2.02 -1.98 0.80 112.91 116.16 2jx2 h THR 52 Ca -0.00 -0.08 -0.03 0.00 0.77 0.00 0.00 66.41 67.07 2jx2 h THR 52 Cb 0.49 0.44 0.01 0.00 -1.74 0.00 0.00 68.15 67.35 2jx2 h THR 52 CO 0.00 0.04 -0.32 0.25 0.37 0.00 0.00 175.52 175.86 2jx2 h LEU 53 N 0.23 -0.76 -0.34 2.58 5.85 -1.98 -2.58 115.31 118.30 2jx2 h LEU 53 Ca 0.27 0.00 0.07 0.00 0.84 0.00 0.00 57.88 59.05 2jx2 h LEU 53 Cb 0.37 0.20 -0.06 0.00 0.37 0.00 0.00 40.66 41.53 2jx2 h LEU 53 CO -0.35 -0.48 -0.06 -0.07 -0.34 0.00 0.00 178.44 177.14 2jx2 h LEU 54 N -0.99 -0.26 -0.91 2.25 3.38 -0.85 -0.34 115.31 117.60 2jx2 h LEU 54 Ca -0.09 0.09 0.26 0.00 0.09 0.00 0.00 57.88 58.23 2jx2 h LEU 54 Cb 0.71 0.19 -0.16 0.00 0.09 0.00 0.00 40.66 41.49 2jx2 h LEU 54 CO 0.15 -0.09 0.20 -0.09 0.09 0.00 0.00 178.44 178.70 2jx2 h ARG 55 N 0.03 0.13 -0.15 1.13 2.43 0.75 1.56 114.38 120.26 2jx2 h ARG 55 Ca 0.17 -0.01 -0.11 0.00 -0.81 0.00 0.00 59.98 59.22 2jx2 h ARG 55 Cb 0.25 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.75 2jx2 h ARG 55 CO -0.33 0.09 -0.39 0.78 -1.51 0.00 0.00 179.97 178.61 2jx2 h GLY 56 N 0.13 0.35 2.00 2.80 0.00 -0.69 0.97 103.07 108.64 2jx2 h GLY 56 Ca 0.59 -0.33 -0.00 0.00 0.00 0.00 0.00 47.33 47.58 2jx2 h GLY 56 CO -0.74 0.30 -0.01 0.00 0.00 0.00 0.00 176.54 176.10 2jx2 h ALA 57 N 1.32 1.00 -0.06 3.60 0.00 0.29 -2.97 119.26 122.44 2jx2 h ALA 57 Ca 0.03 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2jx2 h ALA 57 Cb 0.81 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.60 2jx2 h ALA 57 CO 0.06 0.01 0.00 1.19 0.00 0.00 0.00 179.25 180.51 2jx2 n PHE 58 N -3.10 0.08 -0.05 0.00 3.01 0.74 -4.64 117.46 113.50 2jx2 n PHE 58 Ca 0.01 -0.40 -0.14 0.00 1.01 0.00 0.00 57.45 57.94 2jx2 n PHE 58 Cb 0.36 -0.04 -0.12 0.00 -0.01 0.00 0.00 39.48 39.68 2jx2 n PHE 58 CO 0.00 0.00 0.00 0.77 1.01 0.00 0.00 176.76 178.54 2jx2 h SER 59 N 0.45 -0.00 0.21 4.37 0.02 0.11 -3.24 113.55 115.47 2jx2 h SER 59 Ca 0.00 -0.83 -0.14 0.00 -0.84 0.00 0.00 61.79 59.99 2jx2 h SER 59 Cb 0.46 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.99 2jx2 h SER 59 CO 0.00 0.83 -0.52 1.55 -1.14 0.00 0.00 176.83 177.55 2jx2 h PRO 60 N -0.84 0.35 -0.54 3.45 0.13 -1.83 -3.19 132.00 129.53 2jx2 h PRO 60 Ca -0.00 -0.20 -0.01 0.00 -0.87 0.00 0.00 66.00 64.91 2jx2 h PRO 60 Cb 0.83 0.02 -0.03 0.00 0.13 0.00 0.00 31.00 31.95 2jx2 h PRO 60 CO 0.00 0.78 0.29 0.74 -0.23 0.00 0.00 178.00 179.58 2jx2 h PHE 61 N 0.27 0.75 -1.11 1.56 0.04 -1.82 -3.48 116.94 113.15 2jx2 h PHE 61 Ca 0.01 -0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.76 2jx2 h PHE 61 Cb 1.00 -0.24 0.00 0.00 2.20 0.00 0.00 35.95 38.91 2jx2 h PHE 61 CO 0.03 0.56 0.00 0.41 -0.60 0.00 0.00 178.31 178.70 2jx2 n GLY 62 N -1.01 0.92 3.88 -1.45 0.00 -1.20 -4.71 105.19 101.62 2jx2 n GLY 62 Ca 0.03 -0.82 -0.35 0.00 0.00 0.00 0.00 46.02 44.88 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 -0.49 6.48 -0.18 1.61 0.01 -1.26 -4.34 114.94 116.77 2jx2 s ASN 63 Ca 0.00 0.54 -0.07 0.00 -0.71 0.00 0.00 52.86 52.62 2jx2 s ASN 63 Cb 0.00 -2.08 -0.04 0.00 0.41 0.00 0.00 41.25 39.54 2jx2 s ASN 63 CO 0.00 0.29 0.04 -0.63 -1.51 0.00 0.00 177.10 175.29 2jx2 s ILE 64 N -1.23 4.57 -0.11 0.60 1.01 -1.26 -2.63 121.20 122.16 2jx2 s ILE 64 Ca 0.24 -0.11 0.21 0.00 0.00 0.00 0.00 60.65 60.99 2jx2 s ILE 64 Cb -0.13 -3.05 -0.23 0.00 0.01 0.00 0.00 42.46 39.06 2jx2 s ILE 64 CO 0.14 0.46 0.60 2.30 0.00 0.00 0.00 174.94 178.45 2jx2 n ILE 65 N 3.57 0.41 -3.50 2.92 -5.35 -0.93 -4.84 119.36 111.64 2jx2 n ILE 65 Ca -0.17 -0.57 -0.19 0.00 -0.27 0.00 0.00 62.75 61.56 2jx2 n ILE 65 Cb 0.52 -0.20 -0.13 0.00 -1.74 0.00 0.00 39.64 38.09 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 -4.94 1.45 -0.23 7.28 2.15 -1.26 -5.02 116.67 116.09 2jx2 s ASP 66 Ca -0.06 -0.26 -0.06 0.00 0.43 0.00 0.00 52.55 52.60 2jx2 s ASP 66 Cb 0.12 0.35 -0.02 0.00 -0.30 0.00 0.00 42.92 43.06 2jx2 s ASP 66 CO 0.86 -0.33 0.03 -0.22 -0.17 0.00 0.00 175.17 175.34 2jx2 s LEU 67 N 2.31 3.27 -0.01 -1.34 2.96 -1.26 -2.22 118.68 122.39 2jx2 s LEU 67 Ca 0.07 -0.24 0.03 0.00 -0.22 0.00 0.00 54.13 53.77 2jx2 s LEU 67 Cb -0.16 -1.86 -0.01 0.00 0.50 0.00 0.00 46.19 44.67 2jx2 s LEU 67 CO -0.12 0.00 -0.11 -0.55 -1.32 0.00 0.00 176.35 174.24 2jx2 s SER 68 N 1.39 1.36 0.13 3.68 0.15 -0.49 -5.01 113.70 114.91 2jx2 s SER 68 Ca 0.05 -0.21 0.08 0.00 0.70 0.00 0.00 55.95 56.57 2jx2 s SER 68 Cb -0.15 -0.20 -0.04 0.00 -1.71 0.00 0.00 66.02 63.92 2jx2 s SER 68 CO 0.01 0.13 -0.14 -0.04 1.20 0.00 0.00 173.24 174.41 2jx2 s MET 69 N -0.17 1.95 -0.35 5.44 -1.94 -1.26 0.82 119.30 123.78 2jx2 s MET 69 Ca 0.03 -1.15 0.00 0.00 -1.71 0.00 0.00 55.69 52.86 2jx2 s MET 69 Cb -0.05 -2.18 0.11 0.00 2.01 0.00 0.00 34.83 34.72 2jx2 s MET 69 CO -0.00 0.48 0.15 0.34 -0.01 0.00 0.00 175.02 175.98 2jx2 s ASP 70 N -2.30 3.80 0.28 3.03 -1.08 0.18 -4.91 116.67 115.67 2jx2 s ASP 70 Ca 0.20 -1.98 0.14 0.00 -0.52 0.00 0.00 52.55 50.39 2jx2 s ASP 70 Cb -0.10 -0.86 0.33 0.00 -1.46 0.00 0.00 42.92 40.83 2jx2 s ASP 70 CO 0.12 -0.36 1.57 1.55 0.52 0.00 0.00 175.17 178.57 2jx2 h PRO 71 N 7.58 0.00 0.00 4.34 0.13 -1.94 -0.93 132.00 141.18 2jx2 h PRO 71 Ca -0.08 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.95 2jx2 h PRO 71 Cb 0.98 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.10 2jx2 h PRO 71 CO 0.45 0.58 -0.49 -1.00 -0.23 0.00 0.00 178.00 177.31 2jx2 h PRO 72 N 0.00 0.00 -0.01 1.56 0.13 -1.94 -3.22 132.00 128.52 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 0.49 -0.10 0.54 -0.23 0.00 0.00 178.00 178.77 2jx2 n ARG 73 N -3.45 1.26 -3.43 0.86 1.74 -1.23 -4.99 116.66 107.42 2jx2 n ARG 73 Ca 0.00 -1.03 -0.20 0.00 -0.77 0.00 0.00 57.85 55.86 2jx2 n ARG 73 Cb 0.62 -1.21 0.08 0.00 -1.02 0.00 0.00 32.46 30.93 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 0.35 -4.76 -3.80 0.55 3.02 -0.61 -4.96 115.26 105.05 2jx2 n ASN 74 Ca 0.07 -0.51 -0.13 0.00 -0.03 0.00 0.00 54.58 53.98 2jx2 n ASN 74 Cb 0.30 -4.64 -0.11 0.00 -0.61 0.00 0.00 39.78 34.72 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 -0.16 3.19 -0.08 0.00 0.00 0.04 -0.65 121.76 124.09 2jx2 s ALA 76 Ca -0.03 -1.77 0.04 0.00 0.00 0.00 0.00 51.96 50.20 2jx2 s ALA 76 Cb -0.03 -0.63 0.00 0.00 0.00 0.00 0.00 23.12 22.47 2jx2 s ALA 76 CO 0.01 0.19 -0.19 -0.06 0.00 0.00 0.00 175.76 175.70 2jx2 s PHE 77 N -2.40 2.07 -0.05 0.00 0.08 0.24 -1.85 117.98 116.06 2jx2 s PHE 77 Ca 0.33 -0.78 0.03 0.00 0.12 0.00 0.00 56.93 56.62 2jx2 s PHE 77 Cb -0.04 -1.41 0.01 0.00 -0.57 0.00 0.00 43.02 41.00 2jx2 s PHE 77 CO 0.20 -0.33 -0.13 0.08 -0.10 0.00 0.00 175.22 174.94 2jx2 s VAL 78 N 0.39 1.15 -0.22 -0.44 1.01 -1.02 -1.39 120.40 119.88 2jx2 s VAL 78 Ca -0.15 -0.52 -0.06 0.00 0.00 0.00 0.00 61.98 61.25 2jx2 s VAL 78 Cb -0.16 -1.03 -0.03 0.00 0.00 0.00 0.00 36.38 35.16 2jx2 s VAL 78 CO 0.06 0.35 0.04 -0.89 0.00 0.00 0.00 175.10 174.66 2jx2 s THR 79 N 0.45 4.24 -0.22 3.92 2.01 -0.94 0.26 115.64 125.35 2jx2 s THR 79 Ca -0.10 -0.21 -0.09 0.00 0.31 0.00 0.00 61.69 61.60 2jx2 s THR 79 Cb -0.14 -2.95 -0.04 0.00 0.01 0.00 0.00 72.50 69.38 2jx2 s THR 79 CO 0.03 0.39 0.11 -0.31 -0.69 0.00 0.00 174.62 174.15 2jx2 s TYR 80 N 1.21 3.27 0.27 4.92 2.02 0.93 -2.20 117.35 127.77 2jx2 s TYR 80 Ca 0.04 0.11 -0.05 0.00 -0.37 0.00 0.00 57.07 56.79 2jx2 s TYR 80 Cb -0.14 -2.19 0.51 0.00 -0.40 0.00 0.00 41.96 39.73 2jx2 s TYR 80 CO 0.03 0.06 1.59 1.49 -1.57 0.00 0.00 175.55 177.15 2jx2 h GLU 81 N 7.26 0.03 -6.36 -0.62 4.81 -1.66 2.20 114.58 120.25 2jx2 h GLU 81 Ca -0.38 -0.00 -0.61 0.00 -0.13 0.00 0.00 59.36 58.24 2jx2 h GLU 81 Cb 1.17 -0.01 -0.12 0.00 0.63 0.00 0.00 28.75 30.42 2jx2 h GLU 81 CO 0.67 0.02 -0.67 0.15 -0.73 0.00 0.00 179.01 178.45 2jx2 s LYS 82 N -6.14 2.38 0.35 1.92 1.02 -1.26 -0.37 119.74 117.64 2jx2 s LYS 82 Ca -0.14 -1.08 0.27 0.00 0.02 0.00 0.00 55.97 55.04 2jx2 s LYS 82 Cb 0.25 -2.36 0.98 0.00 -0.52 0.00 0.00 37.83 36.19 2jx2 s LYS 82 CO 0.77 0.47 1.79 0.52 -0.92 0.00 0.00 175.35 177.97 2jx2 h MET 83 N 2.85 0.00 -0.23 1.68 2.86 -1.85 -3.05 114.93 117.20 2jx2 h MET 83 Ca -0.47 0.00 -0.18 0.00 -2.06 0.00 0.00 59.70 56.99 2jx2 h MET 83 Cb 1.20 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.86 2jx2 h MET 83 CO 0.58 0.00 -0.55 0.93 1.06 0.00 0.00 176.91 178.92 2jx2 h GLU 84 N 0.00 0.78 -0.98 1.72 4.39 -1.94 -2.51 114.58 116.04 2jx2 h GLU 84 Ca 0.00 -0.53 0.03 0.00 0.34 0.00 0.00 59.36 59.20 2jx2 h GLU 84 Cb 0.54 0.08 -0.06 0.00 -0.10 0.00 0.00 28.75 29.22 2jx2 h GLU 84 CO 0.00 1.16 0.64 1.03 -1.16 0.00 0.00 179.01 180.68 2jx2 h SER 85 N 0.51 1.08 -0.31 1.42 0.87 -1.81 -1.53 113.55 113.78 2jx2 h SER 85 Ca -0.00 -0.01 -0.12 0.00 -1.23 0.00 0.00 61.79 60.42 2jx2 h SER 85 Cb 1.17 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 62.86 2jx2 h SER 85 CO 0.12 0.74 -0.23 0.00 -0.53 0.00 0.00 176.83 176.93 2jx2 h ALA 86 N 1.42 0.85 -0.88 6.23 0.00 -1.61 -0.67 119.26 124.60 2jx2 h ALA 86 Ca 0.38 -0.38 0.01 0.00 0.00 0.00 0.00 54.91 54.92 2jx2 h ALA 86 Cb -0.02 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.58 2jx2 h ALA 86 CO -0.11 0.64 0.57 0.22 0.00 0.00 0.00 179.25 180.57 2jx2 h ASP 87 N 0.69 1.01 -0.06 0.00 3.58 -0.84 1.17 116.42 121.96 2jx2 h ASP 87 Ca 0.09 -0.03 -0.20 0.00 0.42 0.00 0.00 57.03 57.31 2jx2 h ASP 87 Cb 0.75 -0.25 0.01 0.00 1.72 0.00 0.00 39.33 41.56 2jx2 h ASP 87 CO 0.06 0.74 -0.73 -0.61 -2.88 0.00 0.00 179.24 175.82 2jx2 h GLN 88 N 1.19 0.61 -0.12 0.28 4.15 -1.20 -0.58 115.11 119.45 2jx2 h GLN 88 Ca 0.32 -0.57 -0.05 0.00 0.77 0.00 0.00 58.65 59.12 2jx2 h GLN 88 Cb -0.13 0.14 -0.00 0.00 0.21 0.00 0.00 27.48 27.70 2jx2 h GLN 88 CO -0.07 1.18 -0.12 0.00 -1.93 0.00 0.00 178.83 177.90 2jx2 h ALA 89 N 0.44 0.17 0.34 3.38 0.00 -0.79 0.21 119.26 123.01 2jx2 h ALA 89 Ca -0.07 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.51 2jx2 h ALA 89 Cb 1.39 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.15 2jx2 h ALA 89 CO 0.15 0.03 -0.17 0.28 0.00 0.00 0.00 179.25 179.54 2jx2 h VAL 90 N -0.11 0.66 -0.89 0.00 2.07 0.13 1.89 116.25 120.02 2jx2 h VAL 90 Ca 0.02 -0.43 -0.02 0.00 0.82 0.00 0.00 66.70 67.09 2jx2 h VAL 90 Cb 0.64 0.88 -0.04 0.00 -1.52 0.00 0.00 31.29 31.25 2jx2 h VAL 90 CO 0.03 0.08 0.49 0.00 0.02 0.00 0.00 177.57 178.19 2jx2 h ALA 91 N -0.16 1.13 0.04 1.67 0.00 -1.17 0.84 119.26 121.62 2jx2 h ALA 91 Ca -0.05 -0.13 -0.11 0.00 0.00 0.00 0.00 54.91 54.62 2jx2 h ALA 91 Cb 0.49 -0.35 0.01 0.00 0.00 0.00 0.00 17.79 17.94 2jx2 h ALA 91 CO 0.08 0.64 -0.47 1.49 0.00 0.00 0.00 179.25 180.98 2jx2 h GLU 92 N 1.24 0.24 -0.41 0.00 4.57 -0.50 -3.31 114.58 116.41 2jx2 h GLU 92 Ca 0.31 -0.32 -0.12 0.00 -1.18 0.00 0.00 59.36 58.06 2jx2 h GLU 92 Cb 0.02 0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 28.70 2jx2 h GLU 92 CO -0.05 1.08 -0.21 -0.07 -1.18 0.00 0.00 179.01 178.58 2jx2 h LEU 93 N -0.44 0.82 -9.91 1.64 3.38 0.31 -3.42 115.31 107.68 2jx2 h LEU 93 Ca -0.07 -0.29 -0.53 0.00 0.09 0.00 0.00 57.88 57.07 2jx2 h LEU 93 Cb 1.28 -0.22 0.10 0.00 0.09 0.00 0.00 40.66 41.90 2jx2 h LEU 93 CO 0.09 1.01 0.77 0.21 0.09 0.00 0.00 178.44 180.61 2jx2 s ASN 94 N -6.74 6.42 -0.54 -0.43 3.84 0.29 -2.27 114.94 115.51 2jx2 s ASN 94 Ca -0.10 2.97 -0.00 0.00 0.21 0.00 0.00 52.86 55.95 2jx2 s ASN 94 Cb 0.13 -2.66 0.00 0.00 -0.55 0.00 0.00 41.25 38.17 2jx2 s ASN 94 CO 0.84 -0.82 0.01 0.61 -2.79 0.00 0.00 177.10 174.95 2jx2 n GLY 95 N 0.74 0.12 3.34 1.21 0.00 -1.24 -4.89 105.19 104.46 2jx2 n GLY 95 Ca 0.02 -0.61 -0.29 0.00 0.00 0.00 0.00 46.02 45.14 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 -2.35 2.06 -0.06 2.61 -4.23 -0.96 -5.00 115.64 107.71 2jx2 s THR 96 Ca 0.01 -1.47 0.04 0.00 -1.18 0.00 0.00 61.69 59.09 2jx2 s THR 96 Cb -0.00 -1.79 -0.02 0.00 1.34 0.00 0.00 72.50 72.03 2jx2 s THR 96 CO 0.01 0.23 -0.19 -1.58 -0.54 0.00 0.00 174.62 172.55 2jx2 s GLN 97 N -1.50 2.60 0.00 3.99 0.74 -1.26 -0.62 119.66 123.60 2jx2 s GLN 97 Ca 0.11 -0.79 0.00 0.00 0.05 0.00 0.00 55.36 54.74 2jx2 s GLN 97 Cb -0.10 -2.31 0.00 0.00 1.10 0.00 0.00 33.01 31.70 2jx2 s GLN 97 CO 0.03 0.48 0.00 0.28 -0.55 0.00 0.00 175.29 175.53 2jx2 n VAL 98 N 2.70 0.00 -0.15 1.34 0.31 0.42 -4.88 118.33 118.07 2jx2 n VAL 98 Ca -0.17 0.00 0.03 0.00 -0.01 0.00 0.00 64.34 64.19 2jx2 n VAL 98 Cb 0.52 0.00 0.33 0.00 -0.91 0.00 0.00 33.84 33.78 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 0.79 0.00 5.55 5.08 -2.02 -3.36 114.58 120.62 2jx2 h GLU 99 Ca 0.00 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.27 2jx2 h GLU 99 Cb 0.00 -0.18 -0.04 0.00 0.50 0.00 0.00 28.75 29.03 2jx2 h GLU 99 CO 0.00 0.52 -0.10 0.43 -1.00 0.00 0.00 179.01 178.87 2jx2 n SER 100 N -4.45 -0.33 -4.17 1.42 7.64 -1.26 -5.13 113.62 107.33 2jx2 n SER 100 Ca 0.07 -1.28 -0.12 0.00 1.01 0.00 0.00 58.87 58.56 2jx2 n SER 100 Cb 0.09 0.10 -0.10 0.00 -1.01 0.00 0.00 64.21 63.29 2jx2 n SER 100 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2jx2 s VAL 101 N 0.00 0.79 0.27 0.44 1.01 -1.26 -5.14 120.40 116.50 2jx2 s VAL 101 Ca 0.00 -1.81 0.06 0.00 0.00 0.00 0.00 61.98 60.24 2jx2 s VAL 101 Cb 0.00 -1.53 -0.03 0.00 0.00 0.00 0.00 36.38 34.82 2jx2 s VAL 101 CO 0.00 -0.75 0.33 -1.10 0.00 0.00 0.00 175.10 173.58 2jx2 s GLN 102 N -3.38 3.19 -0.09 2.72 -0.21 -1.26 0.16 119.66 120.78 2jx2 s GLN 102 Ca 0.09 -0.93 0.02 0.00 0.02 0.00 0.00 55.36 54.56 2jx2 s GLN 102 Cb 0.02 -2.75 -0.02 0.00 1.00 0.00 0.00 33.01 31.25 2jx2 s GLN 102 CO -0.03 0.34 -0.15 -0.51 -2.12 0.00 0.00 175.29 172.82 2jx2 s LEU 103 N -3.97 2.66 -0.40 2.90 1.43 0.21 -4.68 118.68 116.82 2jx2 s LEU 103 Ca 0.36 -0.30 0.02 0.00 -1.03 0.00 0.00 54.13 53.18 2jx2 s LEU 103 Cb -0.08 -1.57 0.12 0.00 0.03 0.00 0.00 46.19 44.69 2jx2 s LEU 103 CO 0.28 0.24 0.17 -0.54 0.23 0.00 0.00 176.35 176.73 2jx2 s LYS 104 N -0.11 1.30 -0.04 1.70 1.02 -0.62 -3.69 119.74 119.29 2jx2 s LYS 104 Ca -0.02 -1.85 -0.11 0.00 0.02 0.00 0.00 55.97 54.01 2jx2 s LYS 104 Cb -0.14 -2.58 -0.05 0.00 -0.52 0.00 0.00 37.83 34.54 2jx2 s LYS 104 CO 0.04 -1.07 0.29 0.54 -0.92 0.00 0.00 175.35 174.23 2jx2 s VAL 105 N 0.67 5.24 0.00 3.17 0.11 -1.26 0.38 120.40 128.71 2jx2 s VAL 105 Ca 0.14 0.53 0.00 0.00 -2.93 0.00 0.00 61.98 59.72 2jx2 s VAL 105 Cb -0.22 -3.58 0.00 0.00 -1.53 0.00 0.00 36.38 31.05 2jx2 s VAL 105 CO -0.08 0.57 0.00 0.59 -3.33 0.00 0.00 175.10 172.85 2jx2 n ASN 106 N 1.79 0.00 -4.76 3.54 3.02 0.53 -4.93 115.26 114.45 2jx2 n ASN 106 Ca -0.16 -0.57 -0.36 0.00 -0.03 0.00 0.00 54.58 53.46 2jx2 n ASN 106 Cb 0.53 0.00 -0.07 0.00 -0.61 0.00 0.00 39.78 39.63 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 -1.67 5.33 0.43 2.41 -1.09 -1.26 -0.96 121.20 124.39 2jx2 s ILE 107 Ca 0.00 0.45 0.07 0.00 -2.23 0.00 0.00 60.65 58.95 2jx2 s ILE 107 Cb 0.00 -3.58 -0.03 0.00 -1.58 0.00 0.00 42.46 37.27 2jx2 s ILE 107 CO 0.00 0.44 0.27 0.00 -1.23 0.00 0.00 174.94 174.42 2jx2 s ALA 108 N 0.14 3.82 0.48 9.38 0.00 -1.26 -4.64 121.76 129.69 2jx2 s ALA 108 Ca 0.15 -1.95 -0.20 0.00 0.00 0.00 0.00 51.96 49.96 2jx2 s ALA 108 Cb -0.13 -0.62 -0.12 0.00 0.00 0.00 0.00 23.12 22.24 2jx2 s ALA 108 CO 0.03 -0.21 0.31 -2.13 0.00 0.00 0.00 175.76 173.76 2jx2 n ARG 109 N -1.39 0.33 -2.91 0.00 0.63 -1.26 -4.83 116.66 107.23 2jx2 n ARG 109 Ca 0.00 0.12 -0.43 0.00 -0.92 0.00 0.00 57.85 56.63 2jx2 n ARG 109 Cb 0.64 -1.36 -0.05 0.00 0.45 0.00 0.00 32.46 32.14 2jx2 n ARG 109 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 2jx2 s LYS 110 N -1.49 3.41 0.10 -0.14 1.02 -1.26 -4.55 119.74 116.82 2jx2 s LYS 110 Ca 0.63 -0.11 -0.35 0.00 0.02 0.00 0.00 55.97 56.16 2jx2 s LYS 110 Cb -0.54 -3.97 -0.18 0.00 -0.52 0.00 0.00 37.83 32.63 2jx2 s LYS 110 CO 0.60 -1.23 0.96 0.00 -0.92 0.00 0.00 175.35 174.76 2jx2 n GLN 111 N 6.97 0.34 0.16 1.68 0.00 -1.26 -4.66 117.38 120.61 2jx2 n GLN 111 Ca 0.03 0.12 0.05 0.00 0.00 0.00 0.00 57.00 57.20 2jx2 n GLN 111 Cb 0.48 -1.50 0.13 0.00 0.00 0.00 0.00 30.24 29.35 2jx2 n GLN 111 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.06 176.06 2jx2 h PRO 112 N 2.64 0.00 -1.10 2.61 0.13 -1.95 -1.29 132.00 133.04 2jx2 h PRO 112 Ca -0.43 0.00 0.32 0.00 -0.87 0.00 0.00 66.00 65.02 2jx2 h PRO 112 Cb 1.41 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.49 2jx2 h PRO 112 CO 0.65 0.40 1.08 0.00 -0.23 0.00 0.00 178.00 179.90 2jx2 h MET 113 N 0.00 0.00 0.00 0.86 -0.00 -2.00 -2.99 114.93 110.80 2jx2 h MET 113 Ca -0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 59.70 59.63 2jx2 h MET 113 Cb 1.22 0.00 -0.07 0.00 -0.00 0.00 0.00 31.60 32.75 2jx2 h MET 113 CO 0.05 0.00 -0.15 -0.11 -0.00 0.00 0.00 176.91 176.70 2jx2 n LEU 114 N -3.54 -0.52 -4.25 -0.10 0.00 -1.24 -4.98 117.00 102.37 2jx2 n LEU 114 Ca 0.24 -1.29 -0.35 0.00 0.00 0.00 0.00 56.01 54.61 2jx2 n LEU 114 Cb 1.42 0.00 -0.04 0.00 0.00 0.00 0.00 43.42 44.80 2jx2 n LEU 114 CO 0.29 1.15 -0.12 0.47 0.00 0.00 0.00 177.39 179.18 2jx2 n ASP 115 N 0.00 -2.19 0.00 1.96 8.00 -0.52 -3.20 116.55 120.60 2jx2 n ASP 115 Ca -0.15 -1.08 0.00 0.00 0.71 0.00 0.00 54.79 54.28 2jx2 n ASP 115 Cb 0.53 -2.49 0.00 0.00 -0.02 0.00 0.00 41.12 39.14 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 -4.35 0.00 -1.65 2.24 0.00 -1.01 -3.06 120.51 112.69 2jx2 n ALA 116 Ca -0.01 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.40 2jx2 n ALA 116 Cb 0.53 0.00 -0.02 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 1.42 0.75 0.00 0.00 0.00 -1.19 0.75 120.51 122.23 2jx2 n ALA 117 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.21 2jx2 n ALA 117 Cb 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 19.45 19.23 2jx2 n ALA 117 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 2jx2 n THR 118 N 0.00 0.45 -0.32 0.00 5.66 -1.17 -4.69 114.28 114.20 2jx2 n THR 118 Ca -0.09 -0.72 0.21 0.00 -3.05 0.00 0.00 64.05 60.39 2jx2 n THR 118 Cb 0.39 0.78 0.48 0.00 -1.55 0.00 0.00 70.33 70.42 2jx2 n THR 118 CO 0.00 0.00 0.00 1.23 -3.05 0.00 0.00 175.07 173.25 2jx2 h GLY 119 N 0.00 1.29 0.89 1.09 0.00 -1.76 0.55 103.07 105.13 2jx2 h GLY 119 Ca 0.00 -0.23 0.13 0.00 0.00 0.00 0.00 47.33 47.23 2jx2 h GLY 119 CO 0.00 -0.12 0.43 0.50 0.00 0.00 0.00 176.54 177.35 2jx2 h LYS 120 N 0.45 0.29 0.00 4.80 1.57 -1.93 -3.53 116.57 118.22 2jx2 h LYS 120 Ca 0.58 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.34 2jx2 h LYS 120 Cb 1.37 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.62 2jx2 h LYS 120 CO -0.31 0.19 0.00 0.43 -0.57 0.00 0.00 179.45 179.20