#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 3.83 0.03 0.00 0.04 -1.26 -5.06 135.00 132.58 2jx2 s PRO 36 Ca 0.00 1.83 0.04 0.00 0.04 0.00 0.00 61.00 62.91 2jx2 s PRO 36 Cb 0.00 -2.49 -0.02 0.00 0.04 0.00 0.00 34.50 32.03 2jx2 s PRO 36 CO 0.00 -0.51 -0.12 1.03 0.04 0.00 0.00 177.00 177.44 2jx2 s ARG 37 N -2.57 0.83 0.00 4.56 0.52 -1.26 -5.15 118.95 115.88 2jx2 s ARG 37 Ca 0.62 -0.66 0.00 0.00 -0.52 0.00 0.00 55.73 55.16 2jx2 s ARG 37 Cb -0.30 -0.80 0.00 0.00 0.52 0.00 0.00 34.95 34.37 2jx2 s ARG 37 CO 0.37 0.20 0.00 1.63 0.02 0.00 0.00 175.30 177.52 2jx2 n LYS 38 N 2.04 -0.61 0.00 3.54 5.02 -1.26 -4.59 118.16 122.29 2jx2 n LYS 38 Ca -0.18 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.11 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 2.30 1.11 3.44 0.72 0.00 -0.15 -4.82 105.19 107.79 2jx2 n GLY 39 Ca 0.00 0.27 -0.44 0.00 0.00 0.00 0.00 46.02 45.85 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 6.15 0.17 1.61 2.47 0.62 -2.86 114.94 123.11 2jx2 s ASN 40 Ca 0.00 -0.99 -0.30 0.00 0.42 0.00 0.00 52.86 51.99 2jx2 s ASN 40 Cb 0.00 -2.19 -0.08 0.00 -1.45 0.00 0.00 41.25 37.53 2jx2 s ASN 40 CO 0.00 -0.57 1.27 -0.89 -3.72 0.00 0.00 177.10 173.18 2jx2 s THR 41 N 1.84 3.43 0.04 -5.21 2.01 -1.24 0.13 115.64 116.63 2jx2 s THR 41 Ca 0.07 1.15 0.06 0.00 0.31 0.00 0.00 61.69 63.28 2jx2 s THR 41 Cb -0.20 -3.74 -0.03 0.00 0.01 0.00 0.00 72.50 68.54 2jx2 s THR 41 CO 0.10 0.16 -0.14 -0.76 -0.69 0.00 0.00 174.62 173.29 2jx2 s LEU 42 N 0.07 2.81 -0.26 4.42 1.43 0.65 -3.81 118.68 123.99 2jx2 s LEU 42 Ca 0.56 -0.35 -0.10 0.00 -1.03 0.00 0.00 54.13 53.21 2jx2 s LEU 42 Cb -0.34 -1.64 -0.05 0.00 0.03 0.00 0.00 46.19 44.19 2jx2 s LEU 42 CO 0.36 0.25 0.17 -0.47 0.23 0.00 0.00 176.35 176.89 2jx2 s TYR 43 N -0.99 3.26 -0.04 0.29 5.04 -1.02 -2.06 117.35 121.83 2jx2 s TYR 43 Ca 0.16 0.14 0.06 0.00 -2.44 0.00 0.00 57.07 54.99 2jx2 s TYR 43 Cb -0.11 -2.31 -0.01 0.00 0.35 0.00 0.00 41.96 39.88 2jx2 s TYR 43 CO 0.07 -0.06 -0.21 0.08 -1.34 0.00 0.00 175.55 174.10 2jx2 s VAL 44 N 1.39 1.71 0.01 3.14 1.01 -0.32 0.21 120.40 127.54 2jx2 s VAL 44 Ca 0.07 -0.89 0.08 0.00 0.00 0.00 0.00 61.98 61.24 2jx2 s VAL 44 Cb -0.15 -1.44 -0.02 0.00 0.00 0.00 0.00 36.38 34.77 2jx2 s VAL 44 CO 0.07 0.48 -0.25 -0.47 0.00 0.00 0.00 175.10 174.93 2jx2 s TYR 45 N -0.21 2.26 -1.29 5.22 5.04 -0.00 -0.20 117.35 128.18 2jx2 s TYR 45 Ca 0.00 -0.42 0.00 0.00 -2.44 0.00 0.00 57.07 54.22 2jx2 s TYR 45 Cb -0.11 -1.41 0.00 0.00 0.35 0.00 0.00 41.96 40.79 2jx2 s TYR 45 CO 0.02 0.04 0.00 0.41 -1.34 0.00 0.00 175.55 174.67 2jx2 n GLY 46 N 2.14 -1.45 3.43 8.97 0.00 -0.93 -2.00 105.19 115.35 2jx2 n GLY 46 Ca -0.16 -1.02 -0.25 0.00 0.00 0.00 0.00 46.02 44.59 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 -1.39 1.55 -1.42 1.61 2.02 -1.26 -4.66 118.70 115.16 2jx2 s GLU 47 Ca 0.00 -1.62 -0.07 0.00 0.02 0.00 0.00 54.97 53.31 2jx2 s GLU 47 Cb 0.00 -1.72 0.01 0.00 0.10 0.00 0.00 34.13 32.51 2jx2 s GLU 47 CO 0.00 0.35 0.31 -0.25 0.02 0.00 0.00 175.26 175.69 2jx2 n ASP 48 N -0.14 -0.70 -4.79 -0.19 8.00 -1.26 -4.92 116.55 112.55 2jx2 n ASP 48 Ca -0.09 -1.16 -0.35 0.00 0.71 0.00 0.00 54.79 53.90 2jx2 n ASP 48 Cb 0.58 -2.29 -0.07 0.00 -0.02 0.00 0.00 41.12 39.32 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 -6.97 3.18 0.30 -1.24 -1.94 -1.26 -5.11 119.30 106.26 2jx2 s MET 49 Ca 0.11 -0.35 0.09 0.00 -1.71 0.00 0.00 55.69 53.83 2jx2 s MET 49 Cb -0.05 -2.96 -0.06 0.00 2.01 0.00 0.00 34.83 33.77 2jx2 s MET 49 CO 0.94 0.70 -0.11 0.95 -0.01 0.00 0.00 175.02 177.50 2jx2 s THR 50 N -1.07 2.07 -0.02 2.05 -4.23 -1.26 -5.07 115.64 108.11 2jx2 s THR 50 Ca 0.18 -2.22 -0.24 0.00 -1.18 0.00 0.00 61.69 58.23 2jx2 s THR 50 Cb -0.12 -2.48 -0.17 0.00 1.34 0.00 0.00 72.50 71.07 2jx2 s THR 50 CO 0.08 -0.30 1.14 1.55 -0.54 0.00 0.00 174.62 176.56 2jx2 h PRO 51 N 2.18 -0.21 -0.53 3.99 0.13 -1.98 -2.09 132.00 133.49 2jx2 h PRO 51 Ca -0.41 0.01 0.11 0.00 -0.87 0.00 0.00 66.00 64.84 2jx2 h PRO 51 Cb 1.24 0.05 -0.09 0.00 0.13 0.00 0.00 31.00 32.33 2jx2 h PRO 51 CO 0.67 0.20 -0.04 1.15 -0.23 0.00 0.00 178.00 179.75 2jx2 h THR 52 N -0.69 0.55 -0.27 1.56 2.02 -1.99 0.20 112.91 114.28 2jx2 h THR 52 Ca -0.02 -0.03 0.00 0.00 0.77 0.00 0.00 66.41 67.13 2jx2 h THR 52 Cb 0.50 0.46 -0.01 0.00 -1.74 0.00 0.00 68.15 67.35 2jx2 h THR 52 CO 0.04 0.01 0.18 0.25 0.37 0.00 0.00 175.52 176.37 2jx2 h LEU 53 N 0.08 0.32 -0.43 2.58 5.85 -1.99 -2.48 115.31 119.25 2jx2 h LEU 53 Ca 0.27 -0.02 0.05 0.00 0.84 0.00 0.00 57.88 59.01 2jx2 h LEU 53 Cb 0.41 -0.08 -0.05 0.00 0.37 0.00 0.00 40.66 41.32 2jx2 h LEU 53 CO -0.47 0.25 0.15 -0.07 -0.34 0.00 0.00 178.44 177.96 2jx2 h LEU 54 N 0.36 0.17 -0.95 2.25 3.38 -0.38 -0.77 115.31 119.37 2jx2 h LEU 54 Ca 0.10 0.05 0.18 0.00 0.09 0.00 0.00 57.88 58.29 2jx2 h LEU 54 Cb -0.02 0.03 -0.10 0.00 0.09 0.00 0.00 40.66 40.65 2jx2 h LEU 54 CO -0.02 0.13 0.55 0.03 0.09 0.00 0.00 178.44 179.22 2jx2 h ARG 55 N 0.32 0.69 -0.26 1.13 3.08 -0.24 0.37 114.38 119.47 2jx2 h ARG 55 Ca 0.20 -0.04 -0.08 0.00 0.07 0.00 0.00 59.98 60.12 2jx2 h ARG 55 Cb 0.18 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.06 2jx2 h ARG 55 CO -0.20 0.46 -0.20 0.78 -1.07 0.00 0.00 179.97 179.74 2jx2 h GLY 56 N 0.71 0.51 2.00 0.04 0.00 -0.76 1.98 103.07 107.55 2jx2 h GLY 56 Ca 0.54 -0.38 -0.08 0.00 0.00 0.00 0.00 47.33 47.41 2jx2 h GLY 56 CO -0.38 0.35 -0.36 0.00 0.00 0.00 0.00 176.54 176.15 2jx2 h ALA 57 N 1.37 1.05 -0.16 3.60 0.00 0.44 -3.03 119.26 122.53 2jx2 h ALA 57 Ca 0.07 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.65 2jx2 h ALA 57 Cb 0.58 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2jx2 h ALA 57 CO 0.04 0.45 0.00 1.19 0.00 0.00 0.00 179.25 180.93 2jx2 n PHE 58 N -3.59 0.21 0.12 0.00 3.01 -0.22 -4.54 117.46 112.45 2jx2 n PHE 58 Ca -0.01 -0.42 -0.09 0.00 1.01 0.00 0.00 57.45 57.95 2jx2 n PHE 58 Cb 0.48 -0.03 -0.05 0.00 -0.01 0.00 0.00 39.48 39.87 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 1.10 -0.33 0.50 4.37 0.87 0.33 -2.97 113.55 117.42 2jx2 h SER 59 Ca 0.00 -0.11 -0.08 0.00 -1.23 0.00 0.00 61.79 60.37 2jx2 h SER 59 Cb 0.56 0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 62.60 2jx2 h SER 59 CO 0.00 0.14 -0.39 1.55 -0.53 0.00 0.00 176.83 177.61 2jx2 h PRO 60 N -1.04 0.00 -0.06 2.24 0.13 -1.81 -2.90 132.00 128.55 2jx2 h PRO 60 Ca -0.04 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.97 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 0.07 0.39 -0.49 0.74 -0.23 0.00 0.00 178.00 178.47 2jx2 h PHE 61 N 0.00 0.20 0.00 1.56 0.04 -1.80 -3.48 116.94 113.46 2jx2 h PHE 61 Ca -0.00 -0.06 0.00 0.00 2.80 0.00 0.00 57.97 60.70 2jx2 h PHE 61 Cb 0.74 -0.04 0.00 0.00 2.20 0.00 0.00 35.95 38.85 2jx2 h PHE 61 CO 0.00 0.62 0.00 0.41 -0.60 0.00 0.00 178.31 178.74 2jx2 n GLY 62 N -0.03 -1.29 3.84 -1.45 0.00 -1.10 -4.64 105.19 100.52 2jx2 n GLY 62 Ca -0.02 -0.90 -0.37 0.00 0.00 0.00 0.00 46.02 44.73 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 -3.43 6.36 -0.18 1.61 0.01 -1.26 -4.18 114.94 113.87 2jx2 s ASN 63 Ca 0.00 0.43 -0.10 0.00 -0.71 0.00 0.00 52.86 52.48 2jx2 s ASN 63 Cb 0.00 -2.08 -0.05 0.00 0.41 0.00 0.00 41.25 39.53 2jx2 s ASN 63 CO 0.00 0.34 0.15 -0.63 -1.51 0.00 0.00 177.10 175.46 2jx2 s ILE 64 N -0.66 5.41 -0.11 0.60 1.01 -1.26 -2.67 121.20 123.52 2jx2 s ILE 64 Ca 0.14 0.24 0.21 0.00 0.00 0.00 0.00 60.65 61.23 2jx2 s ILE 64 Cb -0.12 -3.48 -0.23 0.00 0.01 0.00 0.00 42.46 38.64 2jx2 s ILE 64 CO 0.03 0.46 0.57 2.30 0.00 0.00 0.00 174.94 178.30 2jx2 n ILE 65 N 3.26 0.52 -3.79 2.92 -5.35 -0.98 -4.92 119.36 111.01 2jx2 n ILE 65 Ca -0.16 -0.60 -0.13 0.00 -0.27 0.00 0.00 62.75 61.59 2jx2 n ILE 65 Cb 0.52 -0.25 -0.13 0.00 -1.74 0.00 0.00 39.64 38.04 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 -5.02 -0.13 -0.21 7.28 2.15 -1.26 -5.02 116.67 114.46 2jx2 s ASP 66 Ca -0.06 0.29 0.01 0.00 0.43 0.00 0.00 52.55 53.22 2jx2 s ASP 66 Cb 0.11 0.25 0.04 0.00 -0.30 0.00 0.00 42.92 43.02 2jx2 s ASP 66 CO 0.86 -0.09 -0.12 -0.22 -0.17 0.00 0.00 175.17 175.43 2jx2 s LEU 67 N 0.52 2.51 0.04 -1.34 1.98 -1.26 -1.80 118.68 119.32 2jx2 s LEU 67 Ca -0.04 -0.95 0.05 0.00 -2.89 0.00 0.00 54.13 50.30 2jx2 s LEU 67 Cb -0.05 -1.35 -0.02 0.00 0.66 0.00 0.00 46.19 45.42 2jx2 s LEU 67 CO -0.02 -0.13 -0.15 -0.55 -1.89 0.00 0.00 176.35 173.61 2jx2 s SER 68 N 1.31 1.78 0.02 3.68 0.15 -0.31 -5.02 113.70 115.31 2jx2 s SER 68 Ca -0.02 -0.46 0.04 0.00 0.70 0.00 0.00 55.95 56.22 2jx2 s SER 68 Cb -0.16 -0.12 -0.02 0.00 -1.71 0.00 0.00 66.02 64.01 2jx2 s SER 68 CO -0.08 0.06 -0.13 -0.04 1.20 0.00 0.00 173.24 174.24 2jx2 s MET 69 N -1.12 0.94 -0.31 5.44 -1.94 -1.26 0.16 119.30 121.22 2jx2 s MET 69 Ca 0.03 -0.65 0.01 0.00 -1.71 0.00 0.00 55.69 53.36 2jx2 s MET 69 Cb -0.08 -0.93 0.07 0.00 2.01 0.00 0.00 34.83 35.90 2jx2 s MET 69 CO 0.01 0.24 -0.00 0.34 -0.01 0.00 0.00 175.02 175.60 2jx2 s ASP 70 N -0.86 4.78 0.29 3.03 2.15 0.21 -4.91 116.67 121.35 2jx2 s ASP 70 Ca 0.02 -1.56 0.14 0.00 0.43 0.00 0.00 52.55 51.59 2jx2 s ASP 70 Cb -0.07 -1.66 0.34 0.00 -0.30 0.00 0.00 42.92 41.23 2jx2 s ASP 70 CO 0.01 -0.29 1.57 1.55 -0.17 0.00 0.00 175.17 177.84 2jx2 h PRO 71 N 7.87 0.00 0.00 4.34 0.13 -1.96 -1.20 132.00 141.18 2jx2 h PRO 71 Ca -0.17 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.81 2jx2 h PRO 71 Cb 1.05 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.15 2jx2 h PRO 71 CO 0.53 0.57 -0.73 -1.00 -0.23 0.00 0.00 178.00 177.13 2jx2 h PRO 72 N 0.00 0.00 -0.08 1.56 0.13 -1.94 -3.22 132.00 128.45 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 0.07 0.73 0.00 0.54 -0.23 0.00 0.00 178.00 179.12 2jx2 n ARG 73 N -3.60 1.38 -3.60 0.86 1.74 -1.23 -4.97 116.66 107.25 2jx2 n ARG 73 Ca -0.01 -1.54 -0.26 0.00 -0.77 0.00 0.00 57.85 55.28 2jx2 n ARG 73 Cb 0.73 -1.31 0.05 0.00 -1.02 0.00 0.00 32.46 30.91 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 0.89 -5.82 -3.99 0.55 3.02 -0.62 -4.91 115.26 104.39 2jx2 n ASN 74 Ca 0.10 -0.56 -0.17 0.00 -0.03 0.00 0.00 54.58 53.92 2jx2 n ASN 74 Cb 0.40 -4.62 -0.14 0.00 -0.61 0.00 0.00 39.78 34.82 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 -0.22 3.36 -0.11 0.00 0.00 0.72 0.66 121.76 126.18 2jx2 s ALA 76 Ca 0.02 -1.19 0.02 0.00 0.00 0.00 0.00 51.96 50.81 2jx2 s ALA 76 Cb -0.03 -1.21 -0.01 0.00 0.00 0.00 0.00 23.12 21.87 2jx2 s ALA 76 CO -0.00 0.61 -0.20 -0.06 0.00 0.00 0.00 175.76 176.11 2jx2 s PHE 77 N -1.52 2.66 -0.07 0.00 0.08 0.43 -1.18 117.98 118.39 2jx2 s PHE 77 Ca 0.28 -0.89 0.04 0.00 0.12 0.00 0.00 56.93 56.48 2jx2 s PHE 77 Cb -0.11 -1.77 0.00 0.00 -0.57 0.00 0.00 43.02 40.58 2jx2 s PHE 77 CO 0.20 -0.34 -0.18 0.08 -0.10 0.00 0.00 175.22 174.88 2jx2 s VAL 78 N 0.35 1.55 -0.16 -0.44 1.01 -0.88 -1.16 120.40 120.67 2jx2 s VAL 78 Ca -0.16 -0.75 -0.08 0.00 0.00 0.00 0.00 61.98 61.00 2jx2 s VAL 78 Cb -0.17 -1.36 -0.04 0.00 0.00 0.00 0.00 36.38 34.81 2jx2 s VAL 78 CO 0.08 0.45 0.11 -0.89 0.00 0.00 0.00 175.10 174.84 2jx2 s THR 79 N 0.31 5.24 0.01 3.92 2.01 -0.75 0.24 115.64 126.62 2jx2 s THR 79 Ca -0.12 0.12 0.03 0.00 0.31 0.00 0.00 61.69 62.03 2jx2 s THR 79 Cb -0.15 -3.34 -0.03 0.00 0.01 0.00 0.00 72.50 68.99 2jx2 s THR 79 CO 0.05 0.52 -0.05 -0.31 -0.69 0.00 0.00 174.62 174.14 2jx2 s TYR 80 N -0.20 2.95 0.36 4.92 2.02 0.12 -2.32 117.35 125.19 2jx2 s TYR 80 Ca 0.10 -0.00 0.10 0.00 -0.37 0.00 0.00 57.07 56.90 2jx2 s TYR 80 Cb -0.12 -1.62 0.68 0.00 -0.40 0.00 0.00 41.96 40.50 2jx2 s TYR 80 CO 0.01 0.40 1.83 1.49 -1.57 0.00 0.00 175.55 177.71 2jx2 h GLU 81 N 4.43 0.12 -5.65 -0.62 4.81 -1.83 1.85 114.58 117.70 2jx2 h GLU 81 Ca -0.49 -0.04 -0.46 0.00 -0.13 0.00 0.00 59.36 58.24 2jx2 h GLU 81 Cb 1.17 -0.01 -0.20 0.00 0.63 0.00 0.00 28.75 30.34 2jx2 h GLU 81 CO 0.55 0.43 -0.78 0.15 -0.73 0.00 0.00 179.01 178.62 2jx2 s LYS 82 N -4.34 1.02 0.51 1.92 1.02 -1.26 -3.87 119.74 114.75 2jx2 s LYS 82 Ca -0.04 -1.17 0.30 0.00 0.02 0.00 0.00 55.97 55.08 2jx2 s LYS 82 Cb 0.14 -1.06 1.24 0.00 -0.52 0.00 0.00 37.83 37.64 2jx2 s LYS 82 CO 0.74 0.22 1.95 0.52 -0.92 0.00 0.00 175.35 177.86 2jx2 h MET 83 N 3.83 0.00 -0.10 1.68 2.86 -1.85 -2.72 114.93 118.63 2jx2 h MET 83 Ca -0.42 0.00 -0.14 0.00 -2.06 0.00 0.00 59.70 57.08 2jx2 h MET 83 Cb 1.19 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.84 2jx2 h MET 83 CO 0.45 0.10 -0.55 0.93 1.06 0.00 0.00 176.91 178.90 2jx2 h GLU 84 N 0.00 0.31 -0.06 1.72 5.08 -1.97 -2.16 114.58 117.49 2jx2 h GLU 84 Ca -0.00 -0.19 -0.08 0.00 -1.00 0.00 0.00 59.36 58.09 2jx2 h GLU 84 Cb 0.56 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 2jx2 h GLU 84 CO 0.01 0.78 -0.32 0.77 -1.00 0.00 0.00 179.01 179.25 2jx2 h SER 85 N 0.24 0.11 0.72 1.42 0.02 -1.74 -2.31 113.55 112.01 2jx2 h SER 85 Ca 0.00 -0.04 -0.26 0.00 -0.84 0.00 0.00 61.79 60.66 2jx2 h SER 85 Cb 1.04 -0.03 -0.00 0.00 0.14 0.00 0.00 62.40 63.55 2jx2 h SER 85 CO 0.09 0.43 -1.19 0.00 -1.14 0.00 0.00 176.83 175.02 2jx2 h ALA 86 N 1.58 0.16 -0.62 3.77 0.00 -1.55 -2.52 119.26 120.08 2jx2 h ALA 86 Ca 0.01 -0.90 -0.08 0.00 0.00 0.00 0.00 54.91 53.95 2jx2 h ALA 86 Cb 0.62 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 2jx2 h ALA 86 CO 0.04 1.04 0.07 0.22 0.00 0.00 0.00 179.25 180.63 2jx2 h ASP 87 N 0.06 1.02 -0.02 0.00 3.58 -1.11 1.08 116.42 121.02 2jx2 h ASP 87 Ca -0.11 -0.27 -0.22 0.00 0.42 0.00 0.00 57.03 56.85 2jx2 h ASP 87 Cb 1.92 -0.27 0.01 0.00 1.72 0.00 0.00 39.33 42.71 2jx2 h ASP 87 CO 0.19 1.04 -0.82 -0.61 -2.88 0.00 0.00 179.24 176.15 2jx2 h GLN 88 N 0.96 0.69 0.03 0.28 4.15 -1.49 -1.37 115.11 118.36 2jx2 h GLN 88 Ca 0.19 -0.59 -0.24 0.00 0.77 0.00 0.00 58.65 58.77 2jx2 h GLN 88 Cb 0.47 0.13 0.02 0.00 0.21 0.00 0.00 27.48 28.31 2jx2 h GLN 88 CO 0.02 1.20 -0.97 0.00 -1.93 0.00 0.00 178.83 177.15 2jx2 h ALA 89 N 0.62 0.08 -0.57 3.38 0.00 -1.29 -0.55 119.26 120.93 2jx2 h ALA 89 Ca -0.06 -0.68 -0.08 0.00 0.00 0.00 0.00 54.91 54.08 2jx2 h ALA 89 Cb 1.44 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 19.27 2jx2 h ALA 89 CO 0.16 0.59 0.03 0.28 0.00 0.00 0.00 179.25 180.31 2jx2 h VAL 90 N 0.22 1.26 -0.05 0.00 2.07 0.12 1.08 116.25 120.95 2jx2 h VAL 90 Ca -0.13 -1.09 -0.24 0.00 0.82 0.00 0.00 66.70 66.07 2jx2 h VAL 90 Cb 1.65 0.83 0.01 0.00 -1.52 0.00 0.00 31.29 32.27 2jx2 h VAL 90 CO 0.19 0.39 -0.91 0.00 0.02 0.00 0.00 177.57 177.26 2jx2 h ALA 91 N 0.98 0.30 0.00 1.67 0.00 -1.30 -1.15 119.26 119.76 2jx2 h ALA 91 Ca 0.17 -0.66 -0.00 0.00 0.00 0.00 0.00 54.91 54.41 2jx2 h ALA 91 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.30 2jx2 h ALA 91 CO 0.02 0.73 -0.00 1.49 0.00 0.00 0.00 179.25 181.49 2jx2 h GLU 92 N 0.38 -0.01 -0.46 0.00 4.22 -0.97 -3.31 114.58 114.43 2jx2 h GLU 92 Ca -0.08 0.00 -0.03 0.00 0.08 0.00 0.00 59.36 59.32 2jx2 h GLU 92 Cb 1.54 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.77 2jx2 h GLU 92 CO 0.17 0.86 0.15 -0.07 -2.18 0.00 0.00 179.01 177.95 2jx2 h LEU 93 N -0.95 0.62 -9.45 1.64 3.38 0.11 -3.41 115.31 107.25 2jx2 h LEU 93 Ca -0.00 -0.08 -0.54 0.00 0.09 0.00 0.00 57.88 57.35 2jx2 h LEU 93 Cb 0.87 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.46 2jx2 h LEU 93 CO 0.00 0.58 0.58 0.21 0.09 0.00 0.00 178.44 179.90 2jx2 s ASN 94 N -6.63 7.09 0.00 -0.43 3.84 -0.43 -3.12 114.94 115.25 2jx2 s ASN 94 Ca -0.09 1.96 0.00 0.00 0.21 0.00 0.00 52.86 54.94 2jx2 s ASN 94 Cb 0.16 -2.57 0.00 0.00 -0.55 0.00 0.00 41.25 38.29 2jx2 s ASN 94 CO 0.77 -0.48 0.00 0.61 -2.79 0.00 0.00 177.10 175.21 2jx2 n GLY 95 N 3.23 0.99 3.30 1.21 0.00 -1.26 -4.83 105.19 107.84 2jx2 n GLY 95 Ca 0.09 -0.43 -0.21 0.00 0.00 0.00 0.00 46.02 45.47 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 1.67 -0.04 2.61 -4.23 -1.18 -5.08 115.64 107.39 2jx2 s THR 96 Ca 0.00 -1.79 0.06 0.00 -1.18 0.00 0.00 61.69 58.78 2jx2 s THR 96 Cb 0.00 -1.70 -0.02 0.00 1.34 0.00 0.00 72.50 72.12 2jx2 s THR 96 CO 0.00 -0.29 -0.21 -1.58 -0.54 0.00 0.00 174.62 171.99 2jx2 s GLN 97 N -2.59 2.36 0.00 3.99 0.74 -1.26 -2.53 119.66 120.37 2jx2 s GLN 97 Ca 0.12 -0.84 0.00 0.00 0.05 0.00 0.00 55.36 54.69 2jx2 s GLN 97 Cb -0.06 -2.19 0.00 0.00 1.10 0.00 0.00 33.01 31.85 2jx2 s GLN 97 CO 0.05 0.54 0.00 0.28 -0.55 0.00 0.00 175.29 175.61 2jx2 n VAL 98 N 2.51 0.00 -0.23 1.34 0.31 0.43 -4.89 118.33 117.80 2jx2 n VAL 98 Ca -0.17 0.00 -0.01 0.00 -0.01 0.00 0.00 64.34 64.16 2jx2 n VAL 98 Cb 0.52 -0.39 0.21 0.00 -0.91 0.00 0.00 33.84 33.27 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 1.03 0.00 5.55 5.08 -2.03 -3.37 114.58 120.84 2jx2 h GLU 99 Ca 0.00 -0.09 -0.04 0.00 -1.00 0.00 0.00 59.36 58.23 2jx2 h GLU 99 Cb 0.00 -0.22 -0.04 0.00 0.50 0.00 0.00 28.75 28.99 2jx2 h GLU 99 CO 0.00 0.72 -0.14 0.43 -1.00 0.00 0.00 179.01 179.02 2jx2 n SER 100 N -4.38 -0.23 -4.04 1.42 7.64 -1.26 -5.13 113.62 107.64 2jx2 n SER 100 Ca 0.08 -1.35 -0.09 0.00 1.01 0.00 0.00 58.87 58.52 2jx2 n SER 100 Cb 0.07 0.05 -0.11 0.00 -1.01 0.00 0.00 64.21 63.22 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 0.22 -0.03 0.44 1.01 -1.26 -5.15 120.40 115.63 2jx2 s VAL 101 Ca 0.01 -1.33 -0.02 0.00 0.00 0.00 0.00 61.98 60.64 2jx2 s VAL 101 Cb 0.01 -0.85 -0.04 0.00 0.00 0.00 0.00 36.38 35.50 2jx2 s VAL 101 CO -0.00 -0.70 0.12 -1.10 0.00 0.00 0.00 175.10 173.41 2jx2 s GLN 102 N -2.55 3.24 -0.08 2.72 -0.21 -1.26 0.16 119.66 121.69 2jx2 s GLN 102 Ca -0.05 -0.36 0.00 0.00 0.02 0.00 0.00 55.36 54.97 2jx2 s GLN 102 Cb -0.02 -2.99 -0.03 0.00 1.00 0.00 0.00 33.01 30.97 2jx2 s GLN 102 CO -0.05 0.68 -0.07 -0.51 -2.12 0.00 0.00 175.29 173.23 2jx2 s LEU 103 N -1.60 3.17 -0.03 2.90 1.43 -1.05 -4.64 118.68 118.86 2jx2 s LEU 103 Ca 0.22 -0.04 0.07 0.00 -1.03 0.00 0.00 54.13 53.36 2jx2 s LEU 103 Cb -0.12 -1.70 -0.02 0.00 0.03 0.00 0.00 46.19 44.39 2jx2 s LEU 103 CO 0.13 0.34 -0.25 -0.54 0.23 0.00 0.00 176.35 176.25 2jx2 s LYS 104 N -0.68 2.22 -0.04 1.70 1.02 -0.85 -3.98 119.74 119.13 2jx2 s LYS 104 Ca 0.10 -0.91 0.06 0.00 0.02 0.00 0.00 55.97 55.24 2jx2 s LYS 104 Cb -0.11 -2.05 -0.01 0.00 -0.52 0.00 0.00 37.83 35.13 2jx2 s LYS 104 CO 0.02 0.50 -0.22 0.08 -0.92 0.00 0.00 175.35 174.80 2jx2 s VAL 105 N -0.46 1.80 0.16 3.17 1.01 -1.26 -0.82 120.40 124.00 2jx2 s VAL 105 Ca 0.06 -0.94 0.03 0.00 0.00 0.00 0.00 61.98 61.12 2jx2 s VAL 105 Cb -0.11 -1.51 -0.01 0.00 0.00 0.00 0.00 36.38 34.75 2jx2 s VAL 105 CO 0.00 0.51 0.10 0.59 0.00 0.00 0.00 175.10 176.30 2jx2 n ASN 106 N 2.83 0.19 -4.61 3.32 3.02 0.13 -4.95 115.26 115.20 2jx2 n ASN 106 Ca -0.17 -1.98 -0.34 0.00 -0.03 0.00 0.00 54.58 52.06 2jx2 n ASN 106 Cb 0.52 0.64 -0.10 0.00 -0.61 0.00 0.00 39.78 40.23 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 -2.47 4.23 0.13 2.41 -1.09 -1.26 -2.44 121.20 120.71 2jx2 s ILE 107 Ca 0.15 -0.25 0.06 0.00 -2.23 0.00 0.00 60.65 58.37 2jx2 s ILE 107 Cb 0.01 -2.83 -0.04 0.00 -1.58 0.00 0.00 42.46 38.02 2jx2 s ILE 107 CO 0.10 0.54 -0.01 0.00 -1.23 0.00 0.00 174.94 174.34 2jx2 s ALA 108 N -0.22 3.21 -1.76 9.38 0.00 -1.25 -4.81 121.76 126.31 2jx2 s ALA 108 Ca 0.05 -1.24 0.21 0.00 0.00 0.00 0.00 51.96 50.99 2jx2 s ALA 108 Cb -0.12 -1.07 0.64 0.00 0.00 0.00 0.00 23.12 22.56 2jx2 s ALA 108 CO 0.02 0.60 1.53 0.54 0.00 0.00 0.00 175.76 178.46 2jx2 n ARG 109 N 0.29 2.90 -2.03 0.00 1.74 -1.26 -4.82 116.66 113.48 2jx2 n ARG 109 Ca -0.11 -2.66 -0.29 0.00 -0.77 0.00 0.00 57.85 54.03 2jx2 n ARG 109 Cb 0.53 -1.60 0.15 0.00 -1.02 0.00 0.00 32.46 30.52 2jx2 n ARG 109 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 2jx2 s LYS 110 N -1.14 1.11 -0.27 5.56 1.02 -1.26 -4.54 119.74 120.22 2jx2 s LYS 110 Ca 0.48 -0.40 -0.00 0.00 0.02 0.00 0.00 55.97 56.06 2jx2 s LYS 110 Cb 0.26 -1.95 0.00 0.00 -0.52 0.00 0.00 37.83 35.62 2jx2 s LYS 110 CO 0.31 -2.07 0.23 0.94 -0.92 0.00 0.00 175.35 173.84 2jx2 n GLN 111 N -3.51 -1.52 0.26 1.68 -0.06 -1.26 -4.52 117.38 108.45 2jx2 n GLN 111 Ca 0.13 0.19 0.15 0.00 -2.00 0.00 0.00 57.00 55.47 2jx2 n GLN 111 Cb 0.60 -3.24 0.55 0.00 -4.06 0.00 0.00 30.24 24.09 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 -0.46 0.00 -1.45 3.69 0.13 -1.93 -1.98 132.00 130.01 2jx2 h PRO 112 Ca -0.13 0.00 0.44 0.00 -0.87 0.00 0.00 66.00 65.44 2jx2 h PRO 112 Cb 1.08 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.11 2jx2 h PRO 112 CO 0.11 0.04 0.99 0.00 -0.23 0.00 0.00 178.00 178.91 2jx2 h MET 113 N 0.00 0.07 0.00 0.86 -0.00 -1.95 -2.62 114.93 111.29 2jx2 h MET 113 Ca -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 2jx2 h MET 113 Cb 0.65 -0.02 0.00 0.00 -0.00 0.00 0.00 31.60 32.23 2jx2 h MET 113 CO 0.00 0.05 -0.21 -0.11 -0.00 0.00 0.00 176.91 176.64 2jx2 n LEU 114 N -4.36 0.00 -4.42 -0.10 -0.00 -1.22 -4.92 117.00 101.97 2jx2 n LEU 114 Ca 0.35 -0.80 -0.37 0.00 -0.00 0.00 0.00 56.01 55.20 2jx2 n LEU 114 Cb 1.50 0.00 -0.09 0.00 -0.00 0.00 0.00 43.42 44.83 2jx2 n LEU 114 CO 0.32 0.48 -0.33 0.47 -0.00 0.00 0.00 177.39 178.34 2jx2 n ASP 115 N 0.00 -0.37 0.00 1.96 8.00 -0.75 -1.63 116.55 123.76 2jx2 n ASP 115 Ca 0.00 -1.26 0.00 0.00 0.71 0.00 0.00 54.79 54.24 2jx2 n ASP 115 Cb 0.59 -1.59 0.00 0.00 -0.02 0.00 0.00 41.12 40.10 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 -4.32 0.00 -3.51 2.24 0.00 -1.13 -4.73 120.51 109.05 2jx2 n ALA 116 Ca -0.12 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.22 2jx2 n ALA 116 Cb 0.58 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.00 2jx2 n ALA 116 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jx2 s ALA 117 N 0.00 -1.82 0.34 0.00 0.00 -0.65 -0.98 121.76 118.65 2jx2 s ALA 117 Ca 0.00 1.11 0.06 0.00 0.00 0.00 0.00 51.96 53.12 2jx2 s ALA 117 Cb 0.00 0.19 -0.07 0.00 0.00 0.00 0.00 23.12 23.25 2jx2 s ALA 117 CO 0.00 -0.59 0.01 0.95 0.00 0.00 0.00 175.76 176.13 2jx2 s THR 118 N -2.60 1.57 0.00 0.00 -4.23 -1.26 -4.76 115.64 104.36 2jx2 s THR 118 Ca 0.02 -2.04 0.00 0.00 -1.18 0.00 0.00 61.69 58.49 2jx2 s THR 118 Cb -0.01 -2.75 0.00 0.00 1.34 0.00 0.00 72.50 71.08 2jx2 s THR 118 CO -0.06 -0.09 0.00 0.61 -0.54 0.00 0.00 174.62 174.54 2jx2 n GLY 119 N -0.74 0.74 3.78 3.99 0.00 -1.26 -5.04 105.19 106.66 2jx2 n GLY 119 Ca -0.04 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.61 2jx2 n GLY 119 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jx2 s LYS 120 N -0.48 4.60 0.00 1.61 -2.85 -1.26 -5.28 119.74 116.09 2jx2 s LYS 120 Ca 0.00 1.32 0.21 0.00 -1.00 0.00 0.00 55.97 56.50 2jx2 s LYS 120 Cb 0.00 -2.87 1.25 0.00 -2.06 0.00 0.00 37.83 34.15 2jx2 s LYS 120 CO 0.00 0.32 1.63 0.45 0.10 0.00 0.00 175.35 177.85