#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 3.31 0.32 0.00 0.04 -1.26 -4.94 135.00 132.47 2jx2 s PRO 36 Ca 0.00 1.59 0.01 0.00 0.04 0.00 0.00 61.00 62.64 2jx2 s PRO 36 Cb 0.00 -2.00 0.54 0.00 0.04 0.00 0.00 34.50 33.08 2jx2 s PRO 36 CO 0.00 -0.88 1.94 0.00 0.04 0.00 0.00 177.00 178.10 2jx2 h ARG 37 N 1.09 0.85 0.00 4.56 3.08 -1.97 -3.42 114.38 118.57 2jx2 h ARG 37 Ca -0.50 -0.09 -0.13 0.00 0.07 0.00 0.00 59.98 59.33 2jx2 h ARG 37 Cb 1.26 -0.17 0.07 0.00 0.08 0.00 0.00 29.97 31.21 2jx2 h ARG 37 CO 0.57 0.63 -0.02 1.63 -1.07 0.00 0.00 179.97 181.71 2jx2 n LYS 38 N -4.38 -2.45 0.00 0.04 5.02 -1.26 -4.65 118.16 110.48 2jx2 n LYS 38 Ca 0.06 -0.54 0.00 0.00 -2.02 0.00 0.00 58.31 55.81 2jx2 n LYS 38 Cb 0.11 -0.61 0.00 0.00 -0.02 0.00 0.00 35.03 34.51 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 -1.11 1.59 3.48 0.72 0.00 0.16 -4.85 105.19 105.17 2jx2 n GLY 39 Ca 0.05 0.05 -0.43 0.00 0.00 0.00 0.00 46.02 45.69 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 6.21 0.17 1.61 2.47 0.17 -3.48 114.94 122.08 2jx2 s ASN 40 Ca 0.00 -0.79 -0.31 0.00 0.42 0.00 0.00 52.86 52.17 2jx2 s ASN 40 Cb 0.00 -2.43 -0.10 0.00 -1.45 0.00 0.00 41.25 37.27 2jx2 s ASN 40 CO 0.00 -1.41 1.51 -0.89 -3.72 0.00 0.00 177.10 172.59 2jx2 s THR 41 N 4.13 2.77 0.04 -5.21 2.01 -1.25 -1.72 115.64 116.40 2jx2 s THR 41 Ca 0.25 0.57 0.04 0.00 0.31 0.00 0.00 61.69 62.86 2jx2 s THR 41 Cb -0.15 -3.37 -0.04 0.00 0.01 0.00 0.00 72.50 68.96 2jx2 s THR 41 CO 0.13 0.05 -0.08 -0.76 -0.69 0.00 0.00 174.62 173.27 2jx2 s LEU 42 N 0.87 3.13 -0.23 4.42 1.43 0.69 -2.92 118.68 126.07 2jx2 s LEU 42 Ca 0.67 -0.22 -0.08 0.00 -1.03 0.00 0.00 54.13 53.47 2jx2 s LEU 42 Cb -0.42 -1.84 -0.03 0.00 0.03 0.00 0.00 46.19 43.93 2jx2 s LEU 42 CO 0.33 0.25 0.08 -0.47 0.23 0.00 0.00 176.35 176.77 2jx2 s TYR 43 N -1.07 3.14 -0.03 0.29 5.04 -0.00 -1.84 117.35 122.87 2jx2 s TYR 43 Ca 0.19 -0.22 0.07 0.00 -2.44 0.00 0.00 57.07 54.66 2jx2 s TYR 43 Cb -0.11 -2.21 -0.01 0.00 0.35 0.00 0.00 41.96 39.97 2jx2 s TYR 43 CO 0.10 -0.20 -0.24 0.08 -1.34 0.00 0.00 175.55 173.95 2jx2 s VAL 44 N 1.30 1.89 -0.04 3.14 1.01 -0.19 0.15 120.40 127.65 2jx2 s VAL 44 Ca 0.05 -1.00 0.07 0.00 0.00 0.00 0.00 61.98 61.09 2jx2 s VAL 44 Cb -0.15 -1.58 -0.02 0.00 0.00 0.00 0.00 36.38 34.63 2jx2 s VAL 44 CO 0.04 0.53 -0.23 -0.47 0.00 0.00 0.00 175.10 174.97 2jx2 s TYR 45 N -0.38 2.44 -0.96 5.22 5.04 -0.29 -0.02 117.35 128.39 2jx2 s TYR 45 Ca 0.04 -0.44 0.00 0.00 -2.44 0.00 0.00 57.07 54.23 2jx2 s TYR 45 Cb -0.11 -1.55 0.00 0.00 0.35 0.00 0.00 41.96 40.65 2jx2 s TYR 45 CO 0.01 -0.03 0.00 0.41 -1.34 0.00 0.00 175.55 174.60 2jx2 n GLY 46 N 2.53 -1.41 3.34 8.97 0.00 -0.99 -2.11 105.19 115.52 2jx2 n GLY 46 Ca -0.17 -1.04 -0.22 0.00 0.00 0.00 0.00 46.02 44.60 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 -1.76 1.30 -1.41 1.61 2.02 -1.26 -4.53 118.70 114.67 2jx2 s GLU 47 Ca 0.00 -1.45 -0.01 0.00 0.02 0.00 0.00 54.97 53.53 2jx2 s GLU 47 Cb 0.00 -1.33 0.00 0.00 0.10 0.00 0.00 34.13 32.90 2jx2 s GLU 47 CO 0.00 0.26 0.38 -3.47 0.02 0.00 0.00 175.26 172.45 2jx2 n ASP 48 N 0.16 -0.26 -4.75 -0.19 2.03 -1.26 -4.94 116.55 107.34 2jx2 n ASP 48 Ca -0.12 -1.04 -0.33 0.00 0.52 0.00 0.00 54.79 53.83 2jx2 n ASP 48 Cb 0.58 -2.91 -0.08 0.00 -0.72 0.00 0.00 41.12 37.99 2jx2 n ASP 48 CO 0.00 0.00 0.00 -0.04 -1.92 0.00 0.00 177.20 175.24 2jx2 s MET 49 N -6.63 2.97 0.30 -0.67 -1.94 -1.26 -5.12 119.30 106.95 2jx2 s MET 49 Ca 0.01 -0.53 0.11 0.00 -1.71 0.00 0.00 55.69 53.57 2jx2 s MET 49 Cb -0.00 -2.79 -0.05 0.00 2.01 0.00 0.00 34.83 33.99 2jx2 s MET 49 CO 0.90 0.64 -0.15 0.95 -0.01 0.00 0.00 175.02 177.35 2jx2 s THR 50 N -1.16 2.47 -0.02 2.05 -4.23 -1.26 -5.07 115.64 108.42 2jx2 s THR 50 Ca 0.22 -2.30 -0.22 0.00 -1.18 0.00 0.00 61.69 58.21 2jx2 s THR 50 Cb -0.12 -2.46 -0.15 0.00 1.34 0.00 0.00 72.50 71.11 2jx2 s THR 50 CO 0.13 -0.33 1.00 1.55 -0.54 0.00 0.00 174.62 176.42 2jx2 h PRO 51 N 2.15 -0.35 -0.61 3.99 0.13 -1.99 -2.26 132.00 133.06 2jx2 h PRO 51 Ca -0.41 0.02 0.12 0.00 -0.87 0.00 0.00 66.00 64.87 2jx2 h PRO 51 Cb 1.26 0.08 -0.09 0.00 0.13 0.00 0.00 31.00 32.37 2jx2 h PRO 51 CO 0.63 0.00 0.09 1.15 -0.23 0.00 0.00 178.00 179.65 2jx2 h THR 52 N -0.87 0.58 0.47 1.56 2.02 -1.99 0.42 112.91 115.10 2jx2 h THR 52 Ca -0.04 -0.07 -0.01 0.00 0.77 0.00 0.00 66.41 67.06 2jx2 h THR 52 Cb 0.51 0.35 -0.01 0.00 -1.74 0.00 0.00 68.15 67.27 2jx2 h THR 52 CO 0.06 0.04 -0.32 0.25 0.37 0.00 0.00 175.52 175.92 2jx2 h LEU 53 N 0.21 -0.81 -0.78 2.58 5.85 -1.99 -2.18 115.31 118.20 2jx2 h LEU 53 Ca 0.32 0.05 0.11 0.00 0.84 0.00 0.00 57.88 59.21 2jx2 h LEU 53 Cb 0.51 0.25 -0.08 0.00 0.37 0.00 0.00 40.66 41.70 2jx2 h LEU 53 CO -0.45 -0.49 0.41 -0.07 -0.34 0.00 0.00 178.44 177.50 2jx2 h LEU 54 N -0.76 0.53 -0.92 2.25 3.38 -0.68 0.54 115.31 119.65 2jx2 h LEU 54 Ca -0.05 0.07 0.22 0.00 0.09 0.00 0.00 57.88 58.20 2jx2 h LEU 54 Cb 0.63 -0.02 -0.12 0.00 0.09 0.00 0.00 40.66 41.24 2jx2 h LEU 54 CO 0.03 0.27 0.46 -0.09 0.09 0.00 0.00 178.44 179.21 2jx2 h ARG 55 N 0.65 0.48 -0.28 1.13 2.43 0.40 0.60 114.38 119.79 2jx2 h ARG 55 Ca 0.40 -0.03 -0.10 0.00 -0.81 0.00 0.00 59.98 59.44 2jx2 h ARG 55 Cb 0.46 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.89 2jx2 h ARG 55 CO -0.30 0.32 -0.26 0.78 -1.51 0.00 0.00 179.97 179.00 2jx2 h GLY 56 N 0.49 0.60 2.00 2.80 0.00 -0.44 2.07 103.07 110.60 2jx2 h GLY 56 Ca 0.57 -0.51 -0.02 0.00 0.00 0.00 0.00 47.33 47.37 2jx2 h GLY 56 CO -0.49 0.46 -0.12 0.00 0.00 0.00 0.00 176.54 176.40 2jx2 h ALA 57 N 1.23 1.02 -0.04 3.60 0.00 0.54 -3.00 119.26 122.61 2jx2 h ALA 57 Ca 0.07 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2jx2 h ALA 57 Cb 0.71 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.48 2jx2 h ALA 57 CO 0.05 0.15 0.00 1.19 0.00 0.00 0.00 179.25 180.64 2jx2 n PHE 58 N -3.26 0.05 0.08 0.00 3.01 0.09 -4.58 117.46 112.84 2jx2 n PHE 58 Ca 0.00 -0.24 -0.09 0.00 1.01 0.00 0.00 57.45 58.14 2jx2 n PHE 58 Cb 0.37 -0.02 -0.06 0.00 -0.01 0.00 0.00 39.48 39.76 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 0.44 -0.25 0.67 4.37 0.87 0.35 -3.14 113.55 116.85 2jx2 h SER 59 Ca 0.00 -0.20 -0.04 0.00 -1.23 0.00 0.00 61.79 60.31 2jx2 h SER 59 Cb 0.31 0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 62.33 2jx2 h SER 59 CO 0.00 0.26 -0.21 1.55 -0.53 0.00 0.00 176.83 177.90 2jx2 h PRO 60 N -0.98 0.00 0.00 2.24 0.13 -1.81 -2.71 132.00 128.87 2jx2 h PRO 60 Ca -0.03 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.03 2jx2 h PRO 60 Cb 0.44 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.56 2jx2 h PRO 60 CO 0.05 0.21 -0.32 0.74 -0.23 0.00 0.00 178.00 178.45 2jx2 h PHE 61 N 0.00 0.00 0.00 1.56 -1.00 -1.81 -3.48 116.94 112.21 2jx2 h PHE 61 Ca -0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 2jx2 h PHE 61 Cb 0.60 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.16 2jx2 h PHE 61 CO 0.00 0.32 0.00 0.41 -1.61 0.00 0.00 178.31 177.43 2jx2 n GLY 62 N 0.30 -2.18 3.83 -1.45 0.00 -1.02 -4.65 105.19 100.03 2jx2 n GLY 62 Ca 0.00 -1.20 -0.38 0.00 0.00 0.00 0.00 46.02 44.44 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 -0.79 6.86 -0.17 1.61 0.01 -1.26 -4.26 114.94 116.94 2jx2 s ASN 63 Ca 0.00 1.02 -0.09 0.00 -0.71 0.00 0.00 52.86 53.08 2jx2 s ASN 63 Cb 0.00 -2.27 -0.05 0.00 0.41 0.00 0.00 41.25 39.34 2jx2 s ASN 63 CO 0.00 0.30 0.14 -0.63 -1.51 0.00 0.00 177.10 175.40 2jx2 s ILE 64 N -1.00 5.45 -0.12 0.60 1.01 -1.26 -2.79 121.20 123.09 2jx2 s ILE 64 Ca 0.25 0.21 0.20 0.00 0.00 0.00 0.00 60.65 61.30 2jx2 s ILE 64 Cb -0.17 -3.45 -0.23 0.00 0.01 0.00 0.00 42.46 38.62 2jx2 s ILE 64 CO 0.14 0.51 0.52 2.30 0.00 0.00 0.00 174.94 178.41 2jx2 n ILE 65 N 2.89 0.76 -3.67 2.92 -5.35 -1.11 -4.89 119.36 110.91 2jx2 n ILE 65 Ca -0.18 -0.65 -0.14 0.00 -0.27 0.00 0.00 62.75 61.51 2jx2 n ILE 65 Cb 0.53 -0.36 -0.14 0.00 -1.74 0.00 0.00 39.64 37.94 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 -5.21 0.34 -0.22 7.28 2.15 -1.26 -3.85 116.67 115.90 2jx2 s ASP 66 Ca -0.06 0.55 -0.05 0.00 0.43 0.00 0.00 52.55 53.42 2jx2 s ASP 66 Cb 0.10 0.60 -0.02 0.00 -0.30 0.00 0.00 42.92 43.31 2jx2 s ASP 66 CO 0.85 -0.23 -0.01 -0.22 -0.17 0.00 0.00 175.17 175.38 2jx2 s LEU 67 N 2.27 3.07 0.02 -1.34 2.96 -1.26 -1.89 118.68 122.51 2jx2 s LEU 67 Ca 0.00 -0.31 0.02 0.00 -0.22 0.00 0.00 54.13 53.63 2jx2 s LEU 67 Cb -0.12 -1.79 -0.01 0.00 0.50 0.00 0.00 46.19 44.77 2jx2 s LEU 67 CO -0.08 0.00 -0.08 -0.55 -1.32 0.00 0.00 176.35 174.32 2jx2 s SER 68 N 1.36 0.92 0.09 3.68 0.15 -0.46 -5.03 113.70 114.41 2jx2 s SER 68 Ca 0.04 -0.32 0.06 0.00 0.70 0.00 0.00 55.95 56.43 2jx2 s SER 68 Cb -0.14 -0.04 -0.03 0.00 -1.71 0.00 0.00 66.02 64.09 2jx2 s SER 68 CO -0.01 -0.03 -0.15 -0.04 1.20 0.00 0.00 173.24 174.21 2jx2 s MET 69 N -0.82 0.92 -0.33 5.44 -1.94 -1.26 0.17 119.30 121.47 2jx2 s MET 69 Ca -0.02 -1.07 0.01 0.00 -1.71 0.00 0.00 55.69 52.90 2jx2 s MET 69 Cb -0.06 -0.92 0.10 0.00 2.01 0.00 0.00 34.83 35.96 2jx2 s MET 69 CO 0.00 0.20 0.09 0.34 -0.01 0.00 0.00 175.02 175.64 2jx2 s ASP 70 N -1.98 4.30 0.29 3.03 -1.08 0.15 -4.89 116.67 116.50 2jx2 s ASP 70 Ca 0.02 -1.91 0.14 0.00 -0.52 0.00 0.00 52.55 50.28 2jx2 s ASP 70 Cb -0.08 -1.18 0.34 0.00 -1.46 0.00 0.00 42.92 40.54 2jx2 s ASP 70 CO 0.03 -0.39 1.58 1.55 0.52 0.00 0.00 175.17 178.45 2jx2 h PRO 71 N 7.82 0.00 0.00 4.34 0.13 -1.96 -0.30 132.00 142.02 2jx2 h PRO 71 Ca -0.09 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.95 2jx2 h PRO 71 Cb 1.01 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.13 2jx2 h PRO 71 CO 0.49 0.57 -0.44 -1.00 -0.23 0.00 0.00 178.00 177.40 2jx2 h PRO 72 N 0.00 0.00 -0.02 1.56 0.13 -1.94 -3.20 132.00 128.53 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 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 2jx2 h PRO 72 CO 0.07 0.44 0.00 0.54 -0.23 0.00 0.00 178.00 178.82 2jx2 n ARG 73 N -3.41 0.68 -3.43 0.86 1.74 -1.23 -4.99 116.66 106.88 2jx2 n ARG 73 Ca 0.01 -1.22 -0.19 0.00 -0.77 0.00 0.00 57.85 55.68 2jx2 n ARG 73 Cb 0.60 -1.23 0.08 0.00 -1.02 0.00 0.00 32.46 30.89 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 0.67 -3.58 -3.75 0.55 3.02 -0.66 -4.95 115.26 106.57 2jx2 n ASN 74 Ca 0.07 -0.56 -0.12 0.00 -0.03 0.00 0.00 54.58 53.94 2jx2 n ASN 74 Cb 0.30 -4.86 -0.12 0.00 -0.61 0.00 0.00 39.78 34.48 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 0.84 3.63 -0.06 0.00 0.00 0.97 0.34 121.76 127.48 2jx2 s ALA 76 Ca -0.06 -1.49 0.03 0.00 0.00 0.00 0.00 51.96 50.44 2jx2 s ALA 76 Cb -0.07 -1.24 0.00 0.00 0.00 0.00 0.00 23.12 21.82 2jx2 s ALA 76 CO -0.05 0.19 -0.15 -0.06 0.00 0.00 0.00 175.76 175.68 2jx2 s PHE 77 N -2.19 1.64 -0.06 0.00 0.08 0.44 -1.02 117.98 116.88 2jx2 s PHE 77 Ca 0.35 -0.55 0.03 0.00 0.12 0.00 0.00 56.93 56.88 2jx2 s PHE 77 Cb -0.07 -1.14 0.01 0.00 -0.57 0.00 0.00 43.02 41.24 2jx2 s PHE 77 CO 0.25 -0.23 -0.13 0.08 -0.10 0.00 0.00 175.22 175.09 2jx2 s VAL 78 N 0.33 1.15 -0.10 -0.44 1.01 -0.77 -1.36 120.40 120.22 2jx2 s VAL 78 Ca -0.10 -0.51 -0.04 0.00 0.00 0.00 0.00 61.98 61.33 2jx2 s VAL 78 Cb -0.14 -1.03 -0.04 0.00 0.00 0.00 0.00 36.38 35.18 2jx2 s VAL 78 CO 0.03 0.35 0.05 -0.89 0.00 0.00 0.00 175.10 174.65 2jx2 s THR 79 N 0.47 4.75 -0.07 3.92 2.01 -0.79 0.25 115.64 126.17 2jx2 s THR 79 Ca -0.11 -0.08 0.05 0.00 0.31 0.00 0.00 61.69 61.86 2jx2 s THR 79 Cb -0.14 -3.03 -0.01 0.00 0.01 0.00 0.00 72.50 69.33 2jx2 s THR 79 CO 0.03 0.60 -0.22 -0.31 -0.69 0.00 0.00 174.62 174.04 2jx2 s TYR 80 N -0.86 2.55 0.43 4.92 2.02 -0.70 -2.73 117.35 122.97 2jx2 s TYR 80 Ca 0.13 -0.67 0.18 0.00 -0.37 0.00 0.00 57.07 56.35 2jx2 s TYR 80 Cb -0.12 -1.65 1.11 0.00 -0.40 0.00 0.00 41.96 40.90 2jx2 s TYR 80 CO 0.03 -0.18 1.87 1.49 -1.57 0.00 0.00 175.55 177.19 2jx2 h GLU 81 N 6.13 0.37 -5.44 -0.62 4.81 -1.85 0.47 114.58 118.45 2jx2 h GLU 81 Ca -0.32 -0.02 -0.49 0.00 -0.13 0.00 0.00 59.36 58.40 2jx2 h GLU 81 Cb 1.19 -0.08 -0.27 0.00 0.63 0.00 0.00 28.75 30.21 2jx2 h GLU 81 CO 0.49 0.24 -0.81 0.15 -0.73 0.00 0.00 179.01 178.35 2jx2 s LYS 82 N -5.39 1.15 0.55 1.92 1.02 -1.26 -3.83 119.74 113.90 2jx2 s LYS 82 Ca -0.08 -0.64 0.27 0.00 0.02 0.00 0.00 55.97 55.54 2jx2 s LYS 82 Cb 0.22 -1.14 1.58 0.00 -0.52 0.00 0.00 37.83 37.97 2jx2 s LYS 82 CO 0.78 0.30 2.15 0.52 -0.92 0.00 0.00 175.35 178.18 2jx2 h MET 83 N 5.43 0.00 -0.84 1.68 2.86 -1.88 -2.08 114.93 120.11 2jx2 h MET 83 Ca -0.37 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.24 2jx2 h MET 83 Cb 1.16 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.79 2jx2 h MET 83 CO 0.47 0.07 0.38 0.93 1.06 0.00 0.00 176.91 179.82 2jx2 h GLU 84 N 0.00 1.22 -0.32 1.72 5.08 -1.95 -1.67 114.58 118.66 2jx2 h GLU 84 Ca -0.00 -0.19 -0.05 0.00 -1.00 0.00 0.00 59.36 58.12 2jx2 h GLU 84 Cb 0.18 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 2jx2 h GLU 84 CO 0.01 0.94 -0.01 0.77 -1.00 0.00 0.00 179.01 179.73 2jx2 h SER 85 N 1.20 0.46 0.36 1.42 0.02 -1.64 -2.22 113.55 113.15 2jx2 h SER 85 Ca 0.29 -0.09 -0.15 0.00 -0.84 0.00 0.00 61.79 61.00 2jx2 h SER 85 Cb 0.14 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.55 2jx2 h SER 85 CO -0.03 0.54 -0.63 0.00 -1.14 0.00 0.00 176.83 175.56 2jx2 h ALA 86 N 1.52 0.79 -0.50 3.77 0.00 -1.39 -2.54 119.26 120.92 2jx2 h ALA 86 Ca 0.10 -0.56 -0.06 0.00 0.00 0.00 0.00 54.91 54.39 2jx2 h ALA 86 Cb 0.32 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 2jx2 h ALA 86 CO 0.01 0.75 0.09 0.22 0.00 0.00 0.00 179.25 180.31 2jx2 h ASP 87 N 0.19 0.79 -0.22 0.00 3.58 -0.73 0.62 116.42 120.65 2jx2 h ASP 87 Ca -0.01 -0.26 -0.11 0.00 0.42 0.00 0.00 57.03 57.07 2jx2 h ASP 87 Cb 1.16 -0.21 -0.01 0.00 1.72 0.00 0.00 39.33 41.98 2jx2 h ASP 87 CO 0.10 0.85 -0.25 -0.61 -2.88 0.00 0.00 179.24 176.45 2jx2 h GLN 88 N 0.70 0.69 0.01 0.28 4.15 -1.42 -1.32 115.11 118.21 2jx2 h GLN 88 Ca 0.15 -0.28 -0.03 0.00 0.77 0.00 0.00 58.65 59.26 2jx2 h GLN 88 Cb 0.39 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 28.05 2jx2 h GLN 88 CO 0.01 0.88 -0.13 0.00 -1.93 0.00 0.00 178.83 177.65 2jx2 h ALA 89 N 1.12 0.01 -0.11 3.38 0.00 -1.19 -1.50 119.26 120.97 2jx2 h ALA 89 Ca 0.08 -0.45 0.03 0.00 0.00 0.00 0.00 54.91 54.57 2jx2 h ALA 89 Cb 0.74 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.54 2jx2 h ALA 89 CO 0.06 0.01 0.09 0.28 0.00 0.00 0.00 179.25 179.68 2jx2 h VAL 90 N -0.69 0.86 0.00 0.00 2.07 0.23 1.45 116.25 120.18 2jx2 h VAL 90 Ca -0.02 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.50 2jx2 h VAL 90 Cb 0.95 0.94 -0.00 0.00 -1.52 0.00 0.00 31.29 31.66 2jx2 h VAL 90 CO 0.03 0.00 -0.00 0.00 0.02 0.00 0.00 177.57 177.61 2jx2 h ALA 91 N 1.93 0.00 -0.28 1.67 0.00 -1.24 -1.90 119.26 119.45 2jx2 h ALA 91 Ca 0.05 -0.29 -0.17 0.00 0.00 0.00 0.00 54.91 54.50 2jx2 h ALA 91 Cb 0.23 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2jx2 h ALA 91 CO -0.00 0.00 -0.50 0.93 0.00 0.00 0.00 179.25 179.68 2jx2 h GLU 92 N -1.00 0.83 -0.36 0.00 5.08 -1.02 -3.21 114.58 114.90 2jx2 h GLU 92 Ca -0.00 -0.52 -0.11 0.00 -1.00 0.00 0.00 59.36 57.73 2jx2 h GLU 92 Cb 0.58 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.88 2jx2 h GLU 92 CO -0.00 1.15 -0.20 -0.07 -1.00 0.00 0.00 179.01 178.89 2jx2 h LEU 93 N 0.59 0.81 -9.65 1.33 3.38 0.19 -3.43 115.31 108.53 2jx2 h LEU 93 Ca 0.02 -0.41 -0.52 0.00 0.09 0.00 0.00 57.88 57.05 2jx2 h LEU 93 Cb 1.11 -0.22 0.05 0.00 0.09 0.00 0.00 40.66 41.68 2jx2 h LEU 93 CO 0.11 1.05 0.87 0.21 0.09 0.00 0.00 178.44 180.77 2jx2 s ASN 94 N -6.51 6.56 0.00 -0.43 3.84 -0.71 -2.78 114.94 114.91 2jx2 s ASN 94 Ca -0.12 2.68 0.00 0.00 0.21 0.00 0.00 52.86 55.62 2jx2 s ASN 94 Cb 0.10 -2.60 0.00 0.00 -0.55 0.00 0.00 41.25 38.20 2jx2 s ASN 94 CO 0.83 -0.83 0.00 0.61 -2.79 0.00 0.00 177.10 174.93 2jx2 n GLY 95 N 3.39 0.94 3.40 1.21 0.00 -1.25 -4.86 105.19 108.02 2jx2 n GLY 95 Ca 0.12 -0.52 -0.21 0.00 0.00 0.00 0.00 46.02 45.42 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 1.99 0.13 2.61 -4.23 -1.12 -5.05 115.64 107.63 2jx2 s THR 96 Ca 0.00 -2.27 0.07 0.00 -1.18 0.00 0.00 61.69 58.30 2jx2 s THR 96 Cb 0.00 -2.16 -0.04 0.00 1.34 0.00 0.00 72.50 71.64 2jx2 s THR 96 CO 0.00 -0.51 -0.15 -1.58 -0.54 0.00 0.00 174.62 171.84 2jx2 s GLN 97 N -3.60 1.09 0.00 3.99 0.74 -1.26 -1.60 119.66 119.02 2jx2 s GLN 97 Ca 0.26 -1.28 0.00 0.00 0.05 0.00 0.00 55.36 54.38 2jx2 s GLN 97 Cb -0.02 -1.01 0.00 0.00 1.10 0.00 0.00 33.01 33.08 2jx2 s GLN 97 CO 0.10 0.20 0.00 0.28 -0.55 0.00 0.00 175.29 175.32 2jx2 n VAL 98 N 0.47 0.00 -0.23 1.34 0.31 0.38 -4.92 118.33 115.67 2jx2 n VAL 98 Ca -0.15 0.00 0.07 0.00 -0.01 0.00 0.00 64.34 64.25 2jx2 n VAL 98 Cb 0.57 -0.35 0.33 0.00 -0.91 0.00 0.00 33.84 33.48 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 0.78 0.00 5.55 5.08 -2.02 -3.36 114.58 120.61 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 0.51 -0.09 0.45 -1.00 0.00 0.00 179.01 178.88 2jx2 n SER 100 N -4.50 -0.31 -4.06 1.42 2.88 -1.26 -5.13 113.62 102.66 2jx2 n SER 100 Ca 0.13 -1.27 -0.09 0.00 -1.33 0.00 0.00 58.87 56.31 2jx2 n SER 100 Cb 0.27 0.09 -0.11 0.00 -0.75 0.00 0.00 64.21 63.72 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 0.31 0.04 2.46 1.01 -1.26 -5.13 120.40 117.83 2jx2 s VAL 101 Ca 0.00 -1.35 -0.02 0.00 0.00 0.00 0.00 61.98 60.62 2jx2 s VAL 101 Cb 0.00 -0.90 -0.04 0.00 0.00 0.00 0.00 36.38 35.44 2jx2 s VAL 101 CO 0.00 -0.67 0.21 -1.10 0.00 0.00 0.00 175.10 173.54 2jx2 s GLN 102 N -2.53 3.46 -0.10 2.72 -0.21 -1.26 0.14 119.66 121.88 2jx2 s GLN 102 Ca -0.04 -0.36 -0.01 0.00 0.02 0.00 0.00 55.36 54.97 2jx2 s GLN 102 Cb -0.03 -3.05 -0.03 0.00 1.00 0.00 0.00 33.01 30.90 2jx2 s GLN 102 CO -0.04 0.63 -0.04 -0.51 -2.12 0.00 0.00 175.29 173.21 2jx2 s LEU 103 N -2.28 3.31 -0.02 2.90 1.43 -0.62 -4.61 118.68 118.79 2jx2 s LEU 103 Ca 0.32 -0.01 0.07 0.00 -1.03 0.00 0.00 54.13 53.48 2jx2 s LEU 103 Cb -0.13 -1.75 -0.02 0.00 0.03 0.00 0.00 46.19 44.32 2jx2 s LEU 103 CO 0.24 0.31 -0.22 -0.54 0.23 0.00 0.00 176.35 176.37 2jx2 s LYS 104 N -0.49 1.86 -0.04 1.70 1.02 -0.90 -3.94 119.74 118.94 2jx2 s LYS 104 Ca 0.08 -0.79 0.06 0.00 0.02 0.00 0.00 55.97 55.34 2jx2 s LYS 104 Cb -0.12 -1.76 -0.01 0.00 -0.52 0.00 0.00 37.83 35.42 2jx2 s LYS 104 CO 0.02 0.45 -0.23 0.08 -0.92 0.00 0.00 175.35 174.75 2jx2 s VAL 105 N -0.45 1.85 0.29 3.17 1.01 -1.26 -1.13 120.40 123.88 2jx2 s VAL 105 Ca 0.07 -0.97 0.05 0.00 0.00 0.00 0.00 61.98 61.13 2jx2 s VAL 105 Cb -0.09 -1.56 -0.02 0.00 0.00 0.00 0.00 36.38 34.71 2jx2 s VAL 105 CO -0.00 0.52 0.29 0.59 0.00 0.00 0.00 175.10 176.50 2jx2 n ASN 106 N 2.87 -0.76 -4.78 3.32 3.02 0.39 -4.94 115.26 114.37 2jx2 n ASN 106 Ca -0.17 -2.83 -0.36 0.00 -0.03 0.00 0.00 54.58 51.19 2jx2 n ASN 106 Cb 0.52 1.64 -0.08 0.00 -0.61 0.00 0.00 39.78 41.26 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 -3.07 5.12 0.01 2.41 1.01 -1.26 -0.82 121.20 124.59 2jx2 s ILE 107 Ca 0.32 0.07 0.06 0.00 0.00 0.00 0.00 60.65 61.10 2jx2 s ILE 107 Cb 0.01 -3.23 -0.02 0.00 0.01 0.00 0.00 42.46 39.23 2jx2 s ILE 107 CO 0.23 0.58 -0.20 0.00 0.00 0.00 0.00 174.94 175.55 2jx2 s ALA 108 N -0.65 1.66 -0.45 9.38 0.00 -1.15 -4.68 121.76 125.86 2jx2 s ALA 108 Ca 0.12 -0.91 0.03 0.00 0.00 0.00 0.00 51.96 51.20 2jx2 s ALA 108 Cb -0.12 -0.38 0.46 0.00 0.00 0.00 0.00 23.12 23.07 2jx2 s ALA 108 CO 0.02 0.39 1.55 0.54 0.00 0.00 0.00 175.76 178.27 2jx2 n ARG 109 N 2.33 3.22 0.04 0.00 1.74 -1.26 -4.40 116.66 118.33 2jx2 n ARG 109 Ca -0.16 -3.80 0.13 0.00 -0.77 0.00 0.00 57.85 53.26 2jx2 n ARG 109 Cb 0.53 -2.28 0.48 0.00 -1.02 0.00 0.00 32.46 30.17 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 -0.80 0.10 -2.70 5.56 5.02 -1.26 -3.85 118.16 120.24 2jx2 n LYS 110 Ca 0.52 0.07 -0.31 0.00 -2.02 0.00 0.00 58.31 56.57 2jx2 n LYS 110 Cb 0.83 -1.61 -0.01 0.00 -0.02 0.00 0.00 35.03 34.22 2jx2 n LYS 110 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2jx2 n GLN 111 N -1.79 3.72 0.00 1.97 0.00 -1.26 -4.81 117.38 115.22 2jx2 n GLN 111 Ca 0.06 -4.64 0.05 0.00 0.00 0.00 0.00 57.00 52.47 2jx2 n GLN 111 Cb 0.38 -2.29 0.29 0.00 0.00 0.00 0.00 30.24 28.61 2jx2 n GLN 111 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.06 176.71 2jx2 n PRO 112 N -0.28 0.25 0.26 2.61 -0.04 -1.25 -3.04 135.00 133.51 2jx2 n PRO 112 Ca 0.38 0.09 0.18 0.00 -0.04 0.00 0.00 63.50 64.11 2jx2 n PRO 112 Cb 0.40 -1.50 0.92 0.00 -0.04 0.00 0.00 33.50 33.28 2jx2 n PRO 112 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2jx2 h MET 113 N 0.00 0.00 0.00 0.54 -0.00 -1.94 -3.17 114.93 110.37 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 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.64 2jx2 h MET 113 CO 0.00 0.00 -0.12 -0.11 -0.00 0.00 0.00 176.91 176.68 2jx2 n LEU 114 N -3.46 0.00 -4.45 -0.10 0.00 -1.17 -5.00 117.00 102.82 2jx2 n LEU 114 Ca -0.00 -0.85 -0.39 0.00 0.00 0.00 0.00 56.01 54.77 2jx2 n LEU 114 Cb 0.27 0.00 -0.08 0.00 0.00 0.00 0.00 43.42 43.61 2jx2 n LEU 114 CO 0.23 0.66 -0.24 0.47 0.00 0.00 0.00 177.39 178.51 2jx2 n ASP 115 N 0.00 -1.11 0.00 1.96 8.00 -1.17 -2.15 116.55 122.08 2jx2 n ASP 115 Ca 0.00 -1.24 0.00 0.00 0.71 0.00 0.00 54.79 54.26 2jx2 n ASP 115 Cb 0.55 -1.71 0.00 0.00 -0.02 0.00 0.00 41.12 39.94 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 -4.24 0.00 -2.69 2.24 0.00 -1.23 -3.83 120.51 110.76 2jx2 n ALA 116 Ca -0.02 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.36 2jx2 n ALA 116 Cb 0.53 0.00 0.10 0.00 0.00 0.00 0.00 19.45 20.08 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 0.01 -1.82 -2.43 0.00 0.00 -0.91 0.35 120.51 115.71 2jx2 n ALA 117 Ca 0.00 -0.93 -0.30 0.00 0.00 0.00 0.00 53.44 52.21 2jx2 n ALA 117 Cb 0.00 -2.03 -0.13 0.00 0.00 0.00 0.00 19.45 17.30 2jx2 n ALA 117 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2jx2 s THR 118 N 0.15 2.52 0.35 0.00 2.01 -1.19 -4.93 115.64 114.57 2jx2 s THR 118 Ca 0.20 -1.55 -0.01 0.00 0.31 0.00 0.00 61.69 60.65 2jx2 s THR 118 Cb 0.29 -2.11 0.00 0.00 0.01 0.00 0.00 72.50 70.69 2jx2 s THR 118 CO -0.12 0.16 0.47 -0.83 -0.69 0.00 0.00 174.62 173.61 2jx2 s GLY 119 N -1.90 1.64 0.29 4.40 0.00 -1.26 -4.89 107.32 105.61 2jx2 s GLY 119 Ca 0.15 -1.61 -0.23 0.00 0.00 0.00 0.00 44.72 43.03 2jx2 s GLY 119 CO 0.07 -1.06 0.86 0.54 0.00 0.00 0.00 173.10 173.51 2jx2 s LYS 120 N -2.99 4.42 0.00 2.90 -0.14 -1.26 -5.27 119.74 117.41 2jx2 s LYS 120 Ca 0.32 1.13 0.27 0.00 -1.36 0.00 0.00 55.97 56.32 2jx2 s LYS 120 Cb -0.00 -2.78 0.81 0.00 -1.68 0.00 0.00 37.83 34.17 2jx2 s LYS 120 CO 0.22 0.30 1.61 0.43 -0.76 0.00 0.00 175.35 177.15