#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ldj n LYS 20 N 0.00 0.82 -4.20 1.64 5.02 -1.26 -5.14 118.16 115.04 1ldj n LYS 20 Ca 0.00 -1.91 -0.31 0.00 -2.02 0.00 0.00 58.31 54.07 1ldj n LYS 20 Cb 0.00 -1.38 -0.16 0.00 -0.02 0.00 0.00 35.03 33.47 1ldj n LYS 20 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 1ldj s ARG 21 N 0.43 2.60 -0.05 1.97 3.52 -1.26 -5.10 118.95 121.07 1ldj s ARG 21 Ca 0.31 -0.68 0.04 0.00 -0.13 0.00 0.00 55.73 55.26 1ldj s ARG 21 Cb 0.24 -2.27 -0.00 0.00 -1.56 0.00 0.00 34.95 31.36 1ldj s ARG 21 CO -0.20 -0.17 -0.17 -0.06 -0.81 0.00 0.00 175.30 173.88 1ldj s PHE 22 N 1.26 1.79 -0.07 5.12 0.40 -1.26 -5.13 117.98 120.10 1ldj s PHE 22 Ca 0.02 -0.57 0.03 0.00 -0.60 0.00 0.00 56.93 55.81 1ldj s PHE 22 Cb -0.14 -1.22 0.01 0.00 0.51 0.00 0.00 43.02 42.19 1ldj s PHE 22 CO -0.09 -0.21 -0.15 -1.21 0.70 0.00 0.00 175.22 174.26 1ldj s GLU 23 N 0.16 1.96 -0.38 0.44 2.02 -1.26 -5.09 118.70 116.55 1ldj s GLU 23 Ca -0.07 -0.52 -0.29 0.00 0.02 0.00 0.00 54.97 54.11 1ldj s GLU 23 Cb -0.13 -1.58 -0.00 0.00 0.10 0.00 0.00 34.13 32.51 1ldj s GLU 23 CO 0.03 0.08 1.59 0.08 0.02 0.00 0.00 175.26 177.05 1ldj s VAL 24 N 0.54 3.71 -0.23 2.63 1.01 -1.26 -4.86 120.40 121.94 1ldj s VAL 24 Ca -0.14 0.72 -0.14 0.00 0.00 0.00 0.00 61.98 62.42 1ldj s VAL 24 Cb -0.16 -3.96 -0.17 0.00 0.00 0.00 0.00 36.38 32.10 1ldj s VAL 24 CO 0.05 -0.61 -0.04 1.17 0.00 0.00 0.00 175.10 175.66 1ldj n LYS 25 N 8.24 0.61 -4.48 2.72 3.00 -1.26 -4.98 118.16 122.01 1ldj n LYS 25 Ca 0.19 0.36 -0.25 0.00 -0.00 0.00 0.00 58.31 58.61 1ldj n LYS 25 Cb 0.47 -1.61 -0.10 0.00 0.00 0.00 0.00 35.03 33.79 1ldj n LYS 25 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 1ldj s LYS 26 N -2.47 1.87 -0.30 1.64 1.02 -1.26 -5.13 119.74 115.11 1ldj s LYS 26 Ca -0.33 -1.85 -0.07 0.00 0.02 0.00 0.00 55.97 53.75 1ldj s LYS 26 Cb 0.10 -1.78 0.18 0.00 -0.52 0.00 0.00 37.83 35.81 1ldj s LYS 26 CO 0.58 0.18 0.81 -0.46 -0.92 0.00 0.00 175.35 175.53 1ldj s TRP 27 N -2.56 -1.11 -0.35 3.18 -0.00 -1.26 -5.12 118.94 111.71 1ldj s TRP 27 Ca 0.33 1.21 -0.10 0.00 -0.00 0.00 0.00 56.10 57.54 1ldj s TRP 27 Cb 0.00 0.40 0.02 0.00 -0.00 0.00 0.00 33.47 33.90 1ldj s TRP 27 CO 0.17 -0.61 0.17 -0.80 -0.00 0.00 0.00 176.95 175.89 1ldj s ASN 28 N 2.89 5.60 0.60 5.86 0.02 -1.26 -5.07 114.94 123.58 1ldj s ASN 28 Ca 0.10 -0.92 0.04 0.00 -1.02 0.00 0.00 52.86 51.07 1ldj s ASN 28 Cb -0.13 -1.99 0.08 0.00 0.02 0.00 0.00 41.25 39.23 1ldj s ASN 28 CO -0.16 -0.33 0.82 0.00 0.02 0.00 0.00 177.10 177.45 1ldj s ALA 29 N 1.54 4.18 -0.14 0.60 0.00 -1.26 -5.11 121.76 121.56 1ldj s ALA 29 Ca 0.02 -1.77 -0.11 0.00 0.00 0.00 0.00 51.96 50.09 1ldj s ALA 29 Cb -0.19 -1.79 0.04 0.00 0.00 0.00 0.00 23.12 21.18 1ldj s ALA 29 CO 0.06 -0.96 0.37 0.08 0.00 0.00 0.00 175.76 175.31 1ldj s VAL 30 N -2.80 -0.01 0.01 0.00 1.01 -1.26 -5.16 120.40 112.18 1ldj s VAL 30 Ca 0.61 0.04 -0.09 0.00 0.00 0.00 0.00 61.98 62.54 1ldj s VAL 30 Cb -0.07 -0.53 0.01 0.00 0.00 0.00 0.00 36.38 35.78 1ldj s VAL 30 CO 0.40 0.02 0.18 0.00 0.00 0.00 0.00 175.10 175.69 1ldj s ALA 31 N 0.61 -0.41 0.18 5.51 0.00 -1.26 -5.14 121.76 121.25 1ldj s ALA 31 Ca -0.03 -0.10 -0.01 0.00 0.00 0.00 0.00 51.96 51.82 1ldj s ALA 31 Cb -0.05 0.15 -0.04 0.00 0.00 0.00 0.00 23.12 23.17 1ldj s ALA 31 CO -0.04 -0.25 0.37 -0.51 0.00 0.00 0.00 175.76 175.33 1ldj s LEU 32 N -1.55 4.25 -0.10 0.00 1.43 -1.26 -5.09 118.68 116.36 1ldj s LEU 32 Ca -0.12 0.42 0.01 0.00 -1.03 0.00 0.00 54.13 53.41 1ldj s LEU 32 Cb -0.06 -3.17 0.02 0.00 0.03 0.00 0.00 46.19 43.01 1ldj s LEU 32 CO 0.01 -0.01 -0.13 -1.66 0.23 0.00 0.00 176.35 174.79 1ldj s TRP 33 N -1.80 1.73 0.00 0.29 1.48 -1.26 -5.12 118.94 114.26 1ldj s TRP 33 Ca 0.38 -0.79 0.00 0.00 -1.06 0.00 0.00 56.10 54.64 1ldj s TRP 33 Cb -0.11 -1.29 0.00 0.00 -1.16 0.00 0.00 33.47 30.91 1ldj s TRP 33 CO 0.28 -0.44 0.00 0.00 -4.06 0.00 0.00 176.95 172.74 1ldj n ALA 34 N 4.27 0.00 -3.16 2.67 0.00 -1.26 -5.10 120.51 117.93 1ldj n ALA 34 Ca -0.19 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.13 1ldj n ALA 34 Cb 0.51 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.85 1ldj n ALA 34 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1ldj s TRP 35 N 4.12 -0.27 -0.64 0.00 0.23 -1.26 -5.05 118.94 116.07 1ldj s TRP 35 Ca 0.00 0.65 0.05 0.00 -2.03 0.00 0.00 56.10 54.77 1ldj s TRP 35 Cb 0.00 0.09 0.17 0.00 0.03 0.00 0.00 33.47 33.76 1ldj s TRP 35 CO 0.00 -0.17 0.46 0.34 0.96 0.00 0.00 176.95 178.54 1ldj s ASP 36 N -0.05 4.15 -0.31 2.95 -1.08 -1.26 -4.51 116.67 116.55 1ldj s ASP 36 Ca -0.02 -3.68 0.07 0.00 -0.52 0.00 0.00 52.55 48.40 1ldj s ASP 36 Cb -0.02 -1.40 0.46 0.00 -1.46 0.00 0.00 42.92 40.50 1ldj s ASP 36 CO 0.01 -0.10 1.23 -0.38 0.52 0.00 0.00 175.17 176.45 1ldj n ILE 37 N 2.17 2.59 -0.49 4.11 -0.00 -1.26 -5.01 119.36 121.47 1ldj n ILE 37 Ca 0.21 -4.16 0.00 0.00 -0.00 0.00 0.00 62.75 58.81 1ldj n ILE 37 Cb 0.37 -1.14 0.00 0.00 -0.00 0.00 0.00 39.64 38.87 1ldj n ILE 37 CO 0.00 0.00 0.00 0.52 -0.00 0.00 0.00 176.55 177.07 1ldj n VAL 38 N -0.72 0.00 0.00 1.39 0.31 -1.26 -4.67 118.33 113.38 1ldj n VAL 38 Ca 0.45 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.78 1ldj n VAL 38 Cb 0.95 -0.07 0.00 0.00 -0.91 0.00 0.00 33.84 33.82 1ldj n VAL 38 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 1ldj n VAL 39 N 0.43 0.00 0.00 2.52 0.31 -1.26 -3.76 118.33 116.57 1ldj n VAL 39 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1ldj n VAL 39 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 1ldj n VAL 39 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1ldj n ASP 40 N -0.02 0.00 0.00 4.52 10.43 -1.26 -3.99 116.55 126.23 1ldj n ASP 40 Ca 0.00 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.36 1ldj n ASP 40 Cb 0.00 0.00 0.00 0.00 1.84 0.00 0.00 41.12 42.96 1ldj n ASP 40 CO 0.00 0.00 0.00 0.59 -1.07 0.00 0.00 177.20 176.72 1ldj n ASN 41 N 0.00 0.00 0.00 -2.24 4.13 -1.25 -4.14 115.26 111.76 1ldj n ASN 41 Ca 0.00 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.26 1ldj n ASN 41 Cb 0.00 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.24 1ldj n ASN 41 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1ldj n ALA 43 N -0.78 0.00 -1.99 0.00 0.00 -1.26 -4.83 120.51 111.65 1ldj n ALA 43 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.07 1ldj n ALA 43 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 1ldj n ALA 43 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1ldj n ILE 44 N 0.00 4.66 0.00 0.00 2.08 -1.26 -3.55 119.36 121.29 1ldj n ILE 44 Ca 0.00 -4.34 0.00 0.00 0.56 0.00 0.00 62.75 58.97 1ldj n ILE 44 Cb 0.00 -1.69 0.00 0.00 -0.75 0.00 0.00 39.64 37.20 1ldj n ILE 44 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1ldj n ARG 46 N 0.00 0.00 0.00 0.00 1.85 -1.23 -4.87 116.66 112.41 1ldj n ARG 46 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 1ldj n ARG 46 Cb 0.00 -0.23 0.00 0.00 -1.05 0.00 0.00 32.46 31.18 1ldj n ARG 46 CO 0.00 0.00 0.00 0.27 -0.01 0.00 0.00 177.63 177.89 1ldj n ASN 47 N 1.72 0.00 -1.18 2.89 6.94 -1.26 -4.69 115.26 119.67 1ldj n ASN 47 Ca 0.00 0.00 0.03 0.00 -0.02 0.00 0.00 54.58 54.59 1ldj n ASN 47 Cb 0.00 0.00 -0.02 0.00 -2.36 0.00 0.00 39.78 37.40 1ldj n ASN 47 CO 0.00 0.00 0.00 1.41 -1.03 0.00 0.00 177.26 177.64 1ldj n HIS 48 N 0.00 -3.23 -2.43 -2.53 8.25 -1.26 -4.34 115.22 109.68 1ldj n HIS 48 Ca 0.00 1.76 -0.43 0.00 -0.26 0.00 0.00 57.72 58.79 1ldj n HIS 48 Cb 0.00 -2.85 0.00 0.00 1.12 0.00 0.00 29.99 28.26 1ldj n HIS 48 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 1ldj n ILE 49 N -2.72 3.99 -4.16 1.59 5.41 -1.26 -4.20 119.36 118.01 1ldj n ILE 49 Ca -0.02 -4.07 -0.16 0.00 1.00 0.00 0.00 62.75 59.50 1ldj n ILE 49 Cb 0.41 -2.44 -0.02 0.00 -0.71 0.00 0.00 39.64 36.88 1ldj n ILE 49 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 176.55 176.78 1ldj n MET 50 N 6.34 1.25 -0.02 0.38 2.81 -1.26 -4.99 117.12 121.63 1ldj n MET 50 Ca 0.45 -1.92 -0.00 0.00 -1.81 0.00 0.00 57.70 54.42 1ldj n MET 50 Cb 0.42 0.41 0.01 0.00 -0.71 0.00 0.00 33.22 33.34 1ldj n MET 50 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 1ldj n ASP 51 N -1.43 1.70 0.00 7.83 8.00 -1.26 -4.21 116.55 127.19 1ldj n ASP 51 Ca -0.08 -2.02 0.00 0.00 0.71 0.00 0.00 54.79 53.40 1ldj n ASP 51 Cb 0.34 -0.50 0.00 0.00 -0.02 0.00 0.00 41.12 40.94 1ldj n ASP 51 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 1ldj n LEU 52 N 0.16 1.27 0.00 0.64 7.94 -1.26 -4.22 117.00 121.53 1ldj n LEU 52 Ca 0.01 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.91 1ldj n LEU 52 Cb 0.35 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.30 1ldj n LEU 52 CO 0.01 0.00 0.00 0.00 -1.11 0.00 0.00 177.39 176.29 1ldj n ILE 54 N -1.54 0.00 -0.30 0.00 5.41 -1.26 -4.59 119.36 117.08 1ldj n ILE 54 Ca 0.00 0.00 0.11 0.00 1.00 0.00 0.00 62.75 63.86 1ldj n ILE 54 Cb 0.31 0.00 0.27 0.00 -0.71 0.00 0.00 39.64 39.52 1ldj n ILE 54 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 1ldj h GLU 55 N 0.00 0.49 -0.22 0.38 4.39 -1.98 -2.28 114.58 115.36 1ldj h GLU 55 Ca 0.00 -0.03 -0.17 0.00 0.34 0.00 0.00 59.36 59.50 1ldj h GLU 55 Cb 0.00 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 28.54 1ldj h GLU 55 CO 0.00 0.32 -0.53 0.00 -1.16 0.00 0.00 179.01 177.64 1ldj h GLN 57 N 0.49 -0.24 0.86 0.00 4.15 -1.37 -1.29 115.11 117.70 1ldj h GLN 57 Ca -0.00 0.02 -0.04 0.00 0.77 0.00 0.00 58.65 59.39 1ldj h GLN 57 Cb 1.14 0.06 0.01 0.00 0.21 0.00 0.00 27.48 28.90 1ldj h GLN 57 CO 0.12 -0.16 -0.41 0.00 -1.93 0.00 0.00 178.83 176.44 1ldj h ALA 58 N -0.72 -1.24 0.00 3.38 0.00 -1.66 -3.17 119.26 115.85 1ldj h ALA 58 Ca 0.03 -0.25 -0.68 0.00 0.00 0.00 0.00 54.91 54.01 1ldj h ALA 58 Cb 0.33 0.45 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 1ldj h ALA 58 CO -0.28 -1.16 3.16 0.09 0.00 0.00 0.00 179.25 181.06 1ldj n ASN 59 N -5.27 4.73 -4.93 0.00 3.02 -0.75 -4.91 115.26 107.17 1ldj n ASN 59 Ca -0.14 -2.75 -0.21 0.00 -0.03 0.00 0.00 54.58 51.45 1ldj n ASN 59 Cb 0.45 -1.55 0.08 0.00 -0.61 0.00 0.00 39.78 38.15 1ldj n ASN 59 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 1ldj s GLN 60 N 3.22 2.06 -0.49 3.52 0.74 -0.50 -4.43 119.66 123.78 1ldj s GLN 60 Ca 0.53 -1.56 0.00 0.00 0.05 0.00 0.00 55.36 54.38 1ldj s GLN 60 Cb 0.15 -2.55 0.00 0.00 1.10 0.00 0.00 33.01 31.70 1ldj s GLN 60 CO -0.06 -1.09 0.00 0.00 -0.55 0.00 0.00 175.29 173.59 1ldj n ALA 61 N -2.45 -0.07 -2.59 1.58 0.00 -1.26 -4.97 120.51 110.75 1ldj n ALA 61 Ca 0.16 0.07 -0.31 0.00 0.00 0.00 0.00 53.44 53.37 1ldj n ALA 61 Cb 0.62 -1.28 -0.10 0.00 0.00 0.00 0.00 19.45 18.68 1ldj n ALA 61 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1ldj s SER 62 N -2.25 4.55 0.30 0.00 1.04 -1.26 -5.01 113.70 111.06 1ldj s SER 62 Ca 0.00 -0.22 0.05 0.00 0.48 0.00 0.00 55.95 56.26 1ldj s SER 62 Cb 0.00 -1.00 0.75 0.00 0.10 0.00 0.00 66.02 65.87 1ldj s SER 62 CO 0.00 0.25 1.72 0.00 0.98 0.00 0.00 173.24 176.19 1ldj h ALA 63 N 4.23 1.55 -0.08 5.32 0.00 -1.93 0.36 119.26 128.71 1ldj h ALA 63 Ca -0.48 0.13 0.02 0.00 0.00 0.00 0.00 54.91 54.58 1ldj h ALA 63 Cb 1.17 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 19.01 1ldj h ALA 63 CO 0.53 -0.25 0.21 0.00 0.00 0.00 0.00 179.25 179.74 1ldj h THR 64 N 0.53 0.16 0.02 0.00 1.03 -1.95 -1.30 112.91 111.40 1ldj h THR 64 Ca 0.57 0.00 -0.18 0.00 -0.01 0.00 0.00 66.41 66.80 1ldj h THR 64 Cb 1.04 0.81 -0.02 0.00 -1.07 0.00 0.00 68.15 68.91 1ldj h THR 64 CO -0.47 0.00 -0.95 0.77 -0.01 0.00 0.00 175.52 174.86 1ldj h SER 65 N 0.00 0.08 0.00 0.00 4.64 -0.56 -3.38 113.55 114.33 1ldj h SER 65 Ca 0.04 -0.72 -0.64 0.00 -0.47 0.00 0.00 61.79 60.00 1ldj h SER 65 Cb 0.45 -0.03 0.03 0.00 -0.31 0.00 0.00 62.40 62.55 1ldj h SER 65 CO -0.00 1.38 2.47 -0.62 -0.87 0.00 0.00 176.83 179.19 1ldj n GLU 66 N -4.37 1.78 0.00 4.77 1.02 -0.49 -1.24 120.64 122.10 1ldj n GLU 66 Ca -0.25 -1.92 0.00 0.00 -0.02 0.00 0.00 57.16 54.97 1ldj n GLU 66 Cb 0.67 -2.93 0.00 0.00 -0.02 0.00 0.00 31.44 29.16 1ldj n GLU 66 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1ldj n GLU 67 N 6.57 0.00 -1.53 3.49 2.13 -1.24 -4.88 120.64 125.18 1ldj n GLU 67 Ca 0.50 0.00 -0.44 0.00 0.66 0.00 0.00 57.16 57.87 1ldj n GLU 67 Cb 0.37 0.00 -0.05 0.00 0.27 0.00 0.00 31.44 32.04 1ldj n GLU 67 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1ldj s THR 69 N 8.67 0.54 0.15 0.00 -4.23 -1.26 -4.88 115.64 114.63 1ldj s THR 69 Ca 1.05 -2.00 -0.18 0.00 -1.18 0.00 0.00 61.69 59.38 1ldj s THR 69 Cb -0.53 -2.51 -0.07 0.00 1.34 0.00 0.00 72.50 70.73 1ldj s THR 69 CO 0.39 0.00 0.63 0.68 -0.54 0.00 0.00 174.62 175.78 1ldj s VAL 70 N -3.45 4.70 -0.26 2.29 -7.23 -1.26 0.11 120.40 115.30 1ldj s VAL 70 Ca 0.32 1.15 -0.00 0.00 -1.81 0.00 0.00 61.98 61.64 1ldj s VAL 70 Cb 0.05 -3.85 0.04 0.00 0.56 0.00 0.00 36.38 33.18 1ldj s VAL 70 CO 0.16 0.34 -0.08 0.00 -0.31 0.00 0.00 175.10 175.22 1ldj s ALA 71 N -1.36 2.65 0.05 1.32 0.00 0.73 -4.28 121.76 120.88 1ldj s ALA 71 Ca 0.37 -1.58 -0.27 0.00 0.00 0.00 0.00 51.96 50.48 1ldj s ALA 71 Cb -0.17 -1.66 -0.05 0.00 0.00 0.00 0.00 23.12 21.23 1ldj s ALA 71 CO 0.20 -0.96 0.85 -1.58 0.00 0.00 0.00 175.76 174.27 1ldj s TRP 72 N 1.25 3.74 0.00 0.00 0.52 -1.20 -2.07 118.94 121.17 1ldj s TRP 72 Ca -0.03 1.59 0.00 0.00 0.02 0.00 0.00 56.10 57.68 1ldj s TRP 72 Cb -0.18 -2.93 0.00 0.00 -1.15 0.00 0.00 33.47 29.21 1ldj s TRP 72 CO -0.05 0.20 0.00 0.41 0.02 0.00 0.00 176.95 177.53 1ldj n GLY 73 N 2.48 -3.17 0.00 0.98 0.00 -1.26 -2.91 105.19 101.30 1ldj n GLY 73 Ca 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.73 1ldj n GLY 73 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1ldj n VAL 74 N 0.00 0.00 0.76 1.61 0.24 -1.26 -3.58 118.33 116.11 1ldj n VAL 74 Ca 0.00 0.00 0.11 0.00 -2.04 0.00 0.00 64.34 62.41 1ldj n VAL 74 Cb 0.00 0.00 0.07 0.00 -1.47 0.00 0.00 33.84 32.44 1ldj n VAL 74 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1ldj n ASN 76 N -1.76 -1.66 -0.11 0.00 5.15 -1.26 -4.99 115.26 110.63 1ldj n ASN 76 Ca 0.03 -0.01 -0.14 0.00 -0.60 0.00 0.00 54.58 53.86 1ldj n ASN 76 Cb 0.39 -0.67 -0.13 0.00 -0.53 0.00 0.00 39.78 38.83 1ldj n ASN 76 CO 0.00 0.00 0.00 1.41 1.40 0.00 0.00 177.26 180.07 1ldj n HIS 77 N -3.33 0.00 -1.38 1.20 8.25 -1.26 -4.14 115.22 114.55 1ldj n HIS 77 Ca -0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1ldj n HIS 77 Cb 0.50 -0.97 0.00 0.00 1.12 0.00 0.00 29.99 30.64 1ldj n HIS 77 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1ldj n ALA 78 N -3.01 -1.18 -2.23 -1.41 0.00 -1.26 -4.90 120.51 106.52 1ldj n ALA 78 Ca -0.39 0.09 -0.14 0.00 0.00 0.00 0.00 53.44 53.00 1ldj n ALA 78 Cb 1.05 -0.68 -0.09 0.00 0.00 0.00 0.00 19.45 19.72 1ldj n ALA 78 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1ldj s PHE 79 N -2.04 1.34 0.97 0.00 0.40 -0.88 -4.89 117.98 112.88 1ldj s PHE 79 Ca 0.00 -1.46 -0.12 0.00 -0.60 0.00 0.00 56.93 54.75 1ldj s PHE 79 Cb 0.00 -0.61 0.11 0.00 0.51 0.00 0.00 43.02 43.03 1ldj s PHE 79 CO 0.00 -0.70 0.75 0.72 0.70 0.00 0.00 175.22 176.69 1ldj n HIS 80 N -0.37 -0.45 0.41 0.36 8.25 -1.26 -0.19 115.22 121.97 1ldj n HIS 80 Ca 0.03 0.26 -0.19 0.00 -0.26 0.00 0.00 57.72 57.57 1ldj n HIS 80 Cb 0.65 -1.85 -0.10 0.00 1.12 0.00 0.00 29.99 29.81 1ldj n HIS 80 CO 0.00 0.00 0.00 0.35 0.64 0.00 0.00 176.34 177.33 1ldj h PHE 81 N -1.85 -1.28 -0.61 4.41 -0.00 0.52 -3.09 116.94 115.04 1ldj h PHE 81 Ca -0.46 -0.01 0.12 0.00 -0.00 0.00 0.00 57.97 57.63 1ldj h PHE 81 Cb 1.29 0.46 -0.11 0.00 -0.00 0.00 0.00 35.95 37.59 1ldj h PHE 81 CO 0.41 -0.71 -0.10 0.45 -0.00 0.00 0.00 178.31 178.36 1ldj h HIS 82 N -1.16 -0.24 0.00 0.41 3.86 -1.89 0.75 115.15 116.88 1ldj h HIS 82 Ca -0.10 0.05 0.00 0.00 -1.16 0.00 0.00 60.37 59.16 1ldj h HIS 82 Cb 0.93 0.20 0.00 0.00 1.06 0.00 0.00 27.41 29.60 1ldj h HIS 82 CO -0.11 -0.23 0.15 0.00 0.86 0.00 0.00 177.93 178.59 1ldj n ILE 84 N -1.40 0.22 -0.20 0.00 2.08 0.10 -3.48 119.36 116.68 1ldj n ILE 84 Ca -0.00 -0.08 0.18 0.00 0.56 0.00 0.00 62.75 63.41 1ldj n ILE 84 Cb 0.15 -0.68 0.53 0.00 -0.75 0.00 0.00 39.64 38.89 1ldj n ILE 84 CO 0.00 0.00 0.00 0.28 0.56 0.00 0.00 176.55 177.39 1ldj h SER 85 N -0.01 0.36 0.13 4.38 0.02 -0.51 -0.38 113.55 117.54 1ldj h SER 85 Ca -0.09 0.03 -0.36 0.00 -0.84 0.00 0.00 61.79 60.53 1ldj h SER 85 Cb 1.13 -0.04 -0.04 0.00 0.14 0.00 0.00 62.40 63.59 1ldj h SER 85 CO -0.02 0.16 -2.15 0.54 -1.14 0.00 0.00 176.83 174.23 1ldj n ARG 86 N -4.48 0.70 0.18 3.45 1.74 -0.26 -2.80 116.66 115.19 1ldj n ARG 86 Ca 0.17 0.20 0.12 0.00 -0.77 0.00 0.00 57.85 57.57 1ldj n ARG 86 Cb 0.64 -1.64 0.67 0.00 -1.02 0.00 0.00 32.46 31.11 1ldj n ARG 86 CO 0.00 0.00 0.00 2.35 -1.52 0.00 0.00 177.63 178.46 1ldj h TRP 87 N 0.03 0.00 -0.16 -1.55 7.01 -1.43 -3.35 115.95 116.51 1ldj h TRP 87 Ca -0.47 0.00 -0.12 0.00 2.11 0.00 0.00 58.89 60.42 1ldj h TRP 87 Cb 2.01 0.00 -0.01 0.00 -2.10 0.00 0.00 29.16 29.06 1ldj h TRP 87 CO 0.04 0.00 -0.41 -0.07 -2.79 0.00 0.00 178.44 175.22 1ldj h LEU 88 N 0.00 0.37 -1.42 0.65 3.38 -0.92 -0.68 115.31 116.70 1ldj h LEU 88 Ca 0.08 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1ldj h LEU 88 Cb 0.34 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.99 1ldj h LEU 88 CO -0.00 0.74 0.28 0.11 0.09 0.00 0.00 178.44 179.66 1ldj h LYS 89 N 0.30 0.00 0.00 1.13 1.57 -1.68 -3.25 116.57 114.63 1ldj h LYS 89 Ca 0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1ldj h LYS 89 Cb 0.85 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.16 1ldj h LYS 89 CO 0.07 0.00 0.00 -2.37 -0.57 0.00 0.00 179.45 176.58 1ldj n THR 90 N -2.43 0.00 -4.03 -0.16 5.66 -0.97 -5.08 114.28 107.27 1ldj n THR 90 Ca -0.01 0.00 -0.31 0.00 -3.05 0.00 0.00 64.05 60.68 1ldj n THR 90 Cb 0.31 -0.69 -0.06 0.00 -1.55 0.00 0.00 70.33 68.35 1ldj n THR 90 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 175.07 171.89 1ldj s ARG 91 N 0.00 2.96 -0.18 1.09 0.52 -0.30 -5.04 118.95 118.00 1ldj s ARG 91 Ca 0.00 -0.65 0.17 0.00 -0.52 0.00 0.00 55.73 54.72 1ldj s ARG 91 Cb 0.00 -2.77 -0.23 0.00 0.52 0.00 0.00 34.95 32.47 1ldj s ARG 91 CO 0.00 0.57 0.08 1.04 0.02 0.00 0.00 175.30 177.01 1ldj n GLN 92 N 0.43 0.96 -0.71 3.54 3.00 -1.26 -3.37 117.38 119.97 1ldj n GLN 92 Ca -0.08 -0.02 -0.33 0.00 -0.01 0.00 0.00 57.00 56.56 1ldj n GLN 92 Cb 0.51 -1.48 0.16 0.00 0.00 0.00 0.00 30.24 29.44 1ldj n GLN 92 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.06 178.39 1ldj n VAL 93 N -2.66 0.00 -3.17 5.09 0.24 -1.26 -1.51 118.33 115.06 1ldj n VAL 93 Ca -0.29 -0.27 -0.41 0.00 -2.04 0.00 0.00 64.34 61.33 1ldj n VAL 93 Cb 1.08 -0.54 -0.07 0.00 -1.47 0.00 0.00 33.84 32.84 1ldj n VAL 93 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1ldj n PRO 95 N 5.89 0.00 0.00 0.00 -0.04 -1.26 -1.77 135.00 137.81 1ldj n PRO 95 Ca -0.03 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.43 1ldj n PRO 95 Cb 0.49 -1.42 0.00 0.00 -0.04 0.00 0.00 33.50 32.53 1ldj n PRO 95 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 1ldj n LEU 96 N 1.67 0.00 -1.50 1.53 0.00 -1.26 -4.94 117.00 112.50 1ldj n LEU 96 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 56.01 56.04 1ldj n LEU 96 Cb 0.00 0.00 0.06 0.00 0.00 0.00 0.00 43.42 43.48 1ldj n LEU 96 CO 0.00 0.00 0.12 -0.90 0.00 0.00 0.00 177.39 176.61 1ldj n ASP 97 N -0.01 1.36 0.00 1.96 3.85 -0.73 -5.05 116.55 117.92 1ldj n ASP 97 Ca 0.00 -2.45 0.00 0.00 -0.71 0.00 0.00 54.79 51.63 1ldj n ASP 97 Cb 0.00 -0.37 0.00 0.00 -1.35 0.00 0.00 41.12 39.40 1ldj n ASP 97 CO 0.00 0.00 0.00 -3.20 -1.01 0.00 0.00 177.20 172.99 1ldj n ASN 98 N 0.00 0.00 -4.19 -1.12 4.05 -0.99 -4.80 115.26 108.21 1ldj n ASN 98 Ca 0.10 0.00 -0.35 0.00 0.45 0.00 0.00 54.58 54.78 1ldj n ASN 98 Cb 1.01 0.00 0.08 0.00 1.23 0.00 0.00 39.78 42.10 1ldj n ASN 98 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 177.26 174.75 1ldj n ARG 99 N 0.00 -0.26 -0.79 1.20 3.00 -1.26 -1.92 116.66 116.62 1ldj n ARG 99 Ca 0.00 -0.06 -0.29 0.00 -0.01 0.00 0.00 57.85 57.49 1ldj n ARG 99 Cb 0.00 -1.40 0.21 0.00 0.00 0.00 0.00 32.46 31.27 1ldj n ARG 99 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.63 175.80 1ldj s GLU 100 N -2.77 -0.05 0.60 5.56 1.03 -1.26 0.35 118.70 122.15 1ldj s GLU 100 Ca 0.48 0.88 -0.10 0.00 0.03 0.00 0.00 54.97 56.26 1ldj s GLU 100 Cb -0.16 -1.65 0.15 0.00 -0.80 0.00 0.00 34.13 31.67 1ldj s GLU 100 CO 0.74 -3.15 0.60 1.87 -1.33 0.00 0.00 175.26 173.98 1ldj n TRP 101 N -4.52 -3.60 0.00 4.83 -0.00 -0.57 -4.39 117.44 109.19 1ldj n TRP 101 Ca 0.05 -0.54 0.00 0.00 -0.00 0.00 0.00 57.50 57.02 1ldj n TRP 101 Cb 0.55 -0.57 0.00 0.00 -0.00 0.00 0.00 31.31 31.28 1ldj n TRP 101 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 177.69 178.08 1ldj n GLU 102 N -3.02 0.00 -0.84 5.87 -0.58 -1.26 -5.02 120.64 115.79 1ldj n GLU 102 Ca 0.08 0.00 0.11 0.00 -0.42 0.00 0.00 57.16 56.93 1ldj n GLU 102 Cb 0.30 0.00 -0.03 0.00 -0.57 0.00 0.00 31.44 31.14 1ldj n GLU 102 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 1ldj n PHE 103 N -0.33 -2.13 0.00 -0.32 0.99 -1.23 -5.02 117.46 109.41 1ldj n PHE 103 Ca 0.00 1.08 0.00 0.00 -0.00 0.00 0.00 57.45 58.53 1ldj n PHE 103 Cb 0.00 -1.94 0.00 0.00 -1.00 0.00 0.00 39.48 36.54 1ldj n PHE 103 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1ldj n GLN 104 N -3.10 0.00 -0.63 -1.08 10.64 -1.14 -4.65 117.38 117.42 1ldj n GLN 104 Ca -0.00 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.17 1ldj n GLN 104 Cb 0.39 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.77 1ldj n GLN 104 CO 0.00 0.00 0.00 1.17 -1.83 0.00 0.00 177.06 176.40 1ldj n LYS 105 N 0.00 -1.71 0.00 2.61 4.81 -1.26 -3.27 118.16 119.33 1ldj n LYS 105 Ca 0.00 1.31 0.00 0.00 -0.87 0.00 0.00 58.31 58.75 1ldj n LYS 105 Cb 0.00 -1.57 0.00 0.00 0.02 0.00 0.00 35.03 33.48 1ldj n LYS 105 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23