#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kj2 s GLN 2 N 0.00 2.43 0.40 0.38 -0.21 -1.26 -4.78 119.66 116.62 1kj2 s GLN 2 Ca 0.00 -1.25 -0.24 0.00 0.02 0.00 0.00 55.36 53.89 1kj2 s GLN 2 Cb 0.00 -3.08 -0.09 0.00 1.00 0.00 0.00 33.01 30.84 1kj2 s GLN 2 CO 0.00 -0.58 1.05 0.15 -2.12 0.00 0.00 175.29 173.79 1kj2 s LYS 3 N 1.22 4.14 -0.21 2.91 1.02 -1.21 -4.89 119.74 122.73 1kj2 s LYS 3 Ca -0.06 1.52 -0.29 0.00 0.02 0.00 0.00 55.97 57.16 1kj2 s LYS 3 Cb -0.19 -2.53 0.01 0.00 -0.52 0.00 0.00 37.83 34.59 1kj2 s LYS 3 CO -0.02 -0.16 1.05 0.99 -0.92 0.00 0.00 175.35 176.28 1kj2 s THR 4 N -1.66 4.67 0.30 2.17 2.01 -1.24 -3.74 115.64 118.15 1kj2 s THR 4 Ca 0.58 2.01 -0.30 0.00 0.31 0.00 0.00 61.69 64.29 1kj2 s THR 4 Cb -0.22 -4.29 -0.12 0.00 0.01 0.00 0.00 72.50 67.87 1kj2 s THR 4 CO 0.28 -0.16 1.47 -0.81 -0.69 0.00 0.00 174.62 174.71 1kj2 n PRO 5 N 6.18 2.43 -4.01 4.92 -0.04 -1.24 -4.71 135.00 138.53 1kj2 n PRO 5 Ca 0.12 0.86 -0.36 0.00 -0.04 0.00 0.00 63.50 64.08 1kj2 n PRO 5 Cb 0.46 -2.56 -0.08 0.00 -0.04 0.00 0.00 33.50 31.28 1kj2 n PRO 5 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 1kj2 s GLN 6 N -1.03 3.50 0.02 0.54 -1.52 -0.42 -4.92 119.66 115.83 1kj2 s GLN 6 Ca 0.61 -0.24 0.06 0.00 -1.95 0.00 0.00 55.36 53.84 1kj2 s GLN 6 Cb -0.54 -3.12 -0.02 0.00 -0.22 0.00 0.00 33.01 29.11 1kj2 s GLN 6 CO 0.54 0.63 -0.19 0.42 -0.25 0.00 0.00 175.29 176.44 1kj2 s ILE 7 N -0.61 1.52 -0.03 1.08 1.01 -1.26 -1.31 121.20 121.60 1kj2 s ILE 7 Ca 0.12 -1.02 -0.00 0.00 0.00 0.00 0.00 60.65 59.74 1kj2 s ILE 7 Cb -0.12 -1.30 0.03 0.00 0.01 0.00 0.00 42.46 41.08 1kj2 s ILE 7 CO 0.02 0.25 0.02 -1.10 0.00 0.00 0.00 174.94 174.14 1kj2 s GLN 8 N -0.91 0.13 -0.19 2.79 -0.21 -0.78 -4.97 119.66 115.51 1kj2 s GLN 8 Ca 0.07 0.17 -0.00 0.00 0.02 0.00 0.00 55.36 55.61 1kj2 s GLN 8 Cb -0.08 -0.42 0.01 0.00 1.00 0.00 0.00 33.01 33.52 1kj2 s GLN 8 CO 0.01 -0.19 -0.15 0.08 -2.12 0.00 0.00 175.29 172.92 1kj2 s VAL 9 N 1.27 2.43 0.26 1.09 1.01 -1.26 -0.59 120.40 124.61 1kj2 s VAL 9 Ca -0.07 -0.82 -0.03 0.00 0.00 0.00 0.00 61.98 61.06 1kj2 s VAL 9 Cb -0.13 -2.05 0.01 0.00 0.00 0.00 0.00 36.38 34.21 1kj2 s VAL 9 CO -0.03 0.50 0.41 0.00 0.00 0.00 0.00 175.10 175.98 1kj2 n TYR 10 N 4.67 -1.36 -4.44 5.22 0.18 -0.87 -4.50 117.16 116.06 1kj2 n TYR 10 Ca -0.20 -1.65 -0.25 0.00 1.88 0.00 0.00 57.90 57.68 1kj2 n TYR 10 Cb 0.50 0.47 -0.11 0.00 -0.38 0.00 0.00 39.34 39.82 1kj2 n TYR 10 CO 0.00 0.00 0.00 -1.54 -2.08 0.00 0.00 176.86 173.24 1kj2 s SER 11 N -2.57 3.58 0.12 9.48 1.04 -1.26 0.07 113.70 124.16 1kj2 s SER 11 Ca 0.19 -0.94 -0.19 0.00 0.48 0.00 0.00 55.95 55.50 1kj2 s SER 11 Cb -0.01 -0.31 -0.05 0.00 0.10 0.00 0.00 66.02 65.74 1kj2 s SER 11 CO 0.14 0.07 1.76 -0.09 0.98 0.00 0.00 173.24 176.10 1kj2 h ARG 12 N 2.66 0.33 -5.90 4.02 2.43 -0.69 -3.45 114.38 113.79 1kj2 h ARG 12 Ca -0.43 -0.03 -0.61 0.00 -0.81 0.00 0.00 59.98 58.11 1kj2 h ARG 12 Cb 1.24 -0.07 -0.12 0.00 -0.42 0.00 0.00 29.97 30.59 1kj2 h ARG 12 CO 0.55 0.25 -0.63 -1.01 -1.51 0.00 0.00 179.97 177.62 1kj2 s HIS 13 N -6.06 2.49 0.15 2.20 3.76 -1.26 -5.03 115.29 111.54 1kj2 s HIS 13 Ca -0.13 -0.53 -0.33 0.00 -0.15 0.00 0.00 55.06 53.92 1kj2 s HIS 13 Cb 0.09 -1.55 -0.13 0.00 1.11 0.00 0.00 32.58 32.10 1kj2 s HIS 13 CO 0.70 0.49 1.69 -2.30 -0.85 0.00 0.00 174.74 174.47 1kj2 n PRO 14 N -0.92 2.45 -2.04 8.40 -0.02 -1.26 -4.91 135.00 136.70 1kj2 n PRO 14 Ca -0.04 0.89 -0.37 0.00 -2.02 0.00 0.00 63.50 61.95 1kj2 n PRO 14 Cb 0.64 -2.71 0.02 0.00 -0.02 0.00 0.00 33.50 31.43 1kj2 n PRO 14 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1kj2 s PRO 15 N 1.49 3.42 -0.21 0.52 0.04 -1.26 -5.05 135.00 133.94 1kj2 s PRO 15 Ca 0.79 1.96 -0.08 0.00 0.04 0.00 0.00 61.00 63.71 1kj2 s PRO 15 Cb -0.59 -2.29 0.10 0.00 0.04 0.00 0.00 34.50 31.75 1kj2 s PRO 15 CO 0.37 -0.88 0.46 -1.21 0.04 0.00 0.00 177.00 175.78 1kj2 s GLU 16 N -2.86 0.37 0.15 4.56 2.02 -1.26 -5.10 118.70 116.58 1kj2 s GLU 16 Ca 0.68 1.10 -0.34 0.00 0.02 0.00 0.00 54.97 56.43 1kj2 s GLU 16 Cb -0.33 0.40 -0.15 0.00 0.10 0.00 0.00 34.13 34.15 1kj2 s GLU 16 CO 0.39 -0.24 1.47 0.09 0.02 0.00 0.00 175.26 177.00 1kj2 n ASN 17 N 5.33 2.59 0.00 -0.19 3.02 -1.25 -1.28 115.26 123.48 1kj2 n ASN 17 Ca -0.10 1.10 0.00 0.00 -0.03 0.00 0.00 54.58 55.55 1kj2 n ASN 17 Cb 0.50 -1.36 0.00 0.00 -0.61 0.00 0.00 39.78 38.31 1kj2 n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1kj2 n GLY 18 N 2.94 2.77 3.60 7.41 0.00 0.47 -4.97 105.19 117.42 1kj2 n GLY 18 Ca 0.16 -0.71 -0.43 0.00 0.00 0.00 0.00 46.02 45.04 1kj2 n GLY 18 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1kj2 s LYS 19 N 0.00 3.73 0.26 1.61 2.20 -0.40 -4.89 119.74 122.24 1kj2 s LYS 19 Ca 0.00 0.69 -0.30 0.00 -0.36 0.00 0.00 55.97 56.00 1kj2 s LYS 19 Cb 0.00 -3.92 -0.14 0.00 -1.51 0.00 0.00 37.83 32.27 1kj2 s LYS 19 CO 0.00 -1.38 1.24 -2.30 -0.36 0.00 0.00 175.35 172.56 1kj2 n PRO 20 N 7.81 1.73 -2.30 4.03 -0.02 -1.26 -4.51 135.00 140.47 1kj2 n PRO 20 Ca 0.13 0.61 -0.03 0.00 -2.02 0.00 0.00 63.50 62.19 1kj2 n PRO 20 Cb 0.49 -2.16 -0.01 0.00 -0.02 0.00 0.00 33.50 31.80 1kj2 n PRO 20 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1kj2 n ASN 21 N 1.63 0.18 -4.10 2.55 2.85 0.80 -4.98 115.26 114.20 1kj2 n ASN 21 Ca 0.10 -1.29 -0.30 0.00 -0.11 0.00 0.00 54.58 52.99 1kj2 n ASN 21 Cb 0.31 0.20 -0.17 0.00 1.24 0.00 0.00 39.78 41.37 1kj2 n ASN 21 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 1kj2 s ILE 22 N -2.07 1.67 -0.23 -1.44 -1.09 -1.26 -1.89 121.20 114.89 1kj2 s ILE 22 Ca 0.05 -0.75 -0.14 0.00 -2.23 0.00 0.00 60.65 57.57 1kj2 s ILE 22 Cb 0.00 -1.50 -0.04 0.00 -1.58 0.00 0.00 42.46 39.34 1kj2 s ILE 22 CO 0.03 0.47 0.34 -0.22 -1.23 0.00 0.00 174.94 174.34 1kj2 s LEU 23 N 0.87 4.10 0.11 2.97 2.96 -0.58 0.13 118.68 129.25 1kj2 s LEU 23 Ca -0.08 0.35 0.03 0.00 -0.22 0.00 0.00 54.13 54.21 1kj2 s LEU 23 Cb -0.15 -2.40 -0.04 0.00 0.50 0.00 0.00 46.19 44.10 1kj2 s LEU 23 CO -0.00 -0.09 0.14 0.20 -1.32 0.00 0.00 176.35 175.28 1kj2 s ASN 24 N 1.28 5.77 -0.20 3.68 0.01 0.11 -2.28 114.94 123.30 1kj2 s ASN 24 Ca 0.15 0.03 -0.04 0.00 -0.71 0.00 0.00 52.86 52.29 1kj2 s ASN 24 Cb -0.15 -1.61 0.07 0.00 0.41 0.00 0.00 41.25 39.97 1kj2 s ASN 24 CO 0.08 0.13 0.08 0.00 -1.51 0.00 0.00 177.10 175.88 1kj2 s TYR 26 N 2.04 3.26 -0.15 0.00 5.04 0.24 -1.05 117.35 126.73 1kj2 s TYR 26 Ca 0.03 -0.94 -0.04 0.00 -2.44 0.00 0.00 57.07 53.68 1kj2 s TYR 26 Cb -0.16 -2.67 -0.03 0.00 0.35 0.00 0.00 41.96 39.45 1kj2 s TYR 26 CO -0.14 -0.69 -0.01 0.08 -1.34 0.00 0.00 175.55 173.45 1kj2 s VAL 27 N 1.58 4.13 0.19 3.14 1.01 -0.43 -1.87 120.40 128.15 1kj2 s VAL 27 Ca 0.03 -0.28 0.04 0.00 0.00 0.00 0.00 61.98 61.77 1kj2 s VAL 27 Cb -0.20 -2.80 -0.01 0.00 0.00 0.00 0.00 36.38 33.36 1kj2 s VAL 27 CO 0.07 0.51 0.14 0.35 0.00 0.00 0.00 175.10 176.17 1kj2 n THR 28 N 3.24 0.00 -3.84 3.92 -2.24 -0.42 -0.51 114.28 114.43 1kj2 n THR 28 Ca -0.17 -1.29 -0.30 0.00 -2.27 0.00 0.00 64.05 60.01 1kj2 n THR 28 Cb 0.53 0.61 0.00 0.00 -2.10 0.00 0.00 70.33 69.37 1kj2 n THR 28 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1kj2 n GLN 29 N -0.37 -4.12 -4.39 -0.78 1.13 -1.01 -1.30 117.38 106.53 1kj2 n GLN 29 Ca 0.03 0.49 -0.28 0.00 -1.94 0.00 0.00 57.00 55.31 1kj2 n GLN 29 Cb 0.32 -5.28 -0.12 0.00 0.11 0.00 0.00 30.24 25.26 1kj2 n GLN 29 CO 0.00 0.00 0.00 -0.59 -1.44 0.00 0.00 177.06 175.03 1kj2 s PHE 30 N -3.18 2.25 -0.28 1.08 -0.71 -1.16 -3.69 117.98 112.28 1kj2 s PHE 30 Ca 0.61 -0.38 -0.21 0.00 -1.04 0.00 0.00 56.93 55.91 1kj2 s PHE 30 Cb -0.32 -1.17 0.09 0.00 -1.21 0.00 0.00 43.02 40.40 1kj2 s PHE 30 CO 0.75 0.39 0.78 -1.58 -1.34 0.00 0.00 175.22 174.22 1kj2 s HIS 31 N -1.34 -0.82 1.29 3.49 2.46 -1.25 -1.26 115.29 117.86 1kj2 s HIS 31 Ca 0.16 1.82 -0.17 0.00 0.47 0.00 0.00 55.06 57.34 1kj2 s HIS 31 Cb -0.09 0.42 0.33 0.00 -0.13 0.00 0.00 32.58 33.11 1kj2 s HIS 31 CO 0.07 -0.40 0.98 -1.25 -2.47 0.00 0.00 174.74 171.67 1kj2 s PRO 32 N 0.89 -1.91 0.22 2.88 0.04 -1.26 -3.30 135.00 132.56 1kj2 s PRO 32 Ca -0.04 0.58 0.25 0.00 0.04 0.00 0.00 61.00 61.84 1kj2 s PRO 32 Cb -0.05 -1.46 0.88 0.00 0.04 0.00 0.00 34.50 33.92 1kj2 s PRO 32 CO -0.09 -4.32 1.75 -0.35 0.04 0.00 0.00 177.00 174.04 1kj2 n PRO 33 N -5.30 0.23 -2.48 0.56 -0.04 -1.26 -4.79 135.00 121.91 1kj2 n PRO 33 Ca 0.06 0.29 -0.42 0.00 -0.04 0.00 0.00 63.50 63.39 1kj2 n PRO 33 Cb 0.56 -1.82 -0.03 0.00 -0.04 0.00 0.00 33.50 32.17 1kj2 n PRO 33 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 1kj2 s HIS 34 N -3.18 3.49 -0.21 0.54 2.46 -1.26 -5.00 115.29 112.14 1kj2 s HIS 34 Ca 0.08 1.40 -0.18 0.00 0.47 0.00 0.00 55.06 56.84 1kj2 s HIS 34 Cb 0.11 -3.35 0.06 0.00 -0.13 0.00 0.00 32.58 29.27 1kj2 s HIS 34 CO 0.52 -0.98 0.55 -1.50 -2.47 0.00 0.00 174.74 170.86 1kj2 s ILE 35 N 0.94 -0.00 -0.29 0.89 2.07 -1.26 -4.74 121.20 118.81 1kj2 s ILE 35 Ca 0.57 0.01 -0.11 0.00 -1.41 0.00 0.00 60.65 59.70 1kj2 s ILE 35 Cb -0.28 -0.77 -0.05 0.00 0.13 0.00 0.00 42.46 41.50 1kj2 s ILE 35 CO 0.29 0.00 0.20 -0.70 -1.91 0.00 0.00 174.94 172.82 1kj2 s GLU 36 N 0.50 3.89 -0.10 3.50 2.12 -0.75 -4.98 118.70 122.87 1kj2 s GLU 36 Ca -0.02 -0.36 0.02 0.00 0.36 0.00 0.00 54.97 54.97 1kj2 s GLU 36 Cb -0.04 -3.68 0.01 0.00 0.26 0.00 0.00 34.13 30.68 1kj2 s GLU 36 CO -0.02 -0.21 -0.15 0.42 -0.54 0.00 0.00 175.26 174.75 1kj2 s ILE 37 N 1.75 1.49 0.06 -3.70 1.01 -1.26 -0.28 121.20 120.27 1kj2 s ILE 37 Ca 0.07 -0.64 0.06 0.00 0.00 0.00 0.00 60.65 60.14 1kj2 s ILE 37 Cb -0.16 -1.36 -0.03 0.00 0.01 0.00 0.00 42.46 40.93 1kj2 s ILE 37 CO 0.11 0.44 -0.17 -1.10 0.00 0.00 0.00 174.94 174.22 1kj2 s GLN 38 N 0.95 1.07 -0.11 2.79 -0.21 0.27 -4.98 119.66 119.44 1kj2 s GLN 38 Ca -0.08 -0.92 0.03 0.00 0.02 0.00 0.00 55.36 54.42 1kj2 s GLN 38 Cb -0.15 -1.15 -0.00 0.00 1.00 0.00 0.00 33.01 32.70 1kj2 s GLN 38 CO -0.01 0.28 -0.22 -1.64 -2.12 0.00 0.00 175.29 171.59 1kj2 s MET 39 N -1.41 3.11 0.14 2.91 -1.94 -1.26 0.63 119.30 121.48 1kj2 s MET 39 Ca 0.03 -0.84 0.09 0.00 -1.71 0.00 0.00 55.69 53.26 1kj2 s MET 39 Cb -0.09 -2.38 -0.04 0.00 2.01 0.00 0.00 34.83 34.33 1kj2 s MET 39 CO 0.02 0.16 -0.14 -0.51 -0.01 0.00 0.00 175.02 174.54 1kj2 s LEU 40 N 0.40 2.84 -0.22 -0.03 1.43 0.27 -0.13 118.68 123.24 1kj2 s LEU 40 Ca -0.16 -0.55 -0.02 0.00 -1.03 0.00 0.00 54.13 52.37 1kj2 s LEU 40 Cb -0.17 -1.62 0.07 0.00 0.03 0.00 0.00 46.19 44.49 1kj2 s LEU 40 CO 0.07 0.15 0.04 -0.75 0.23 0.00 0.00 176.35 176.09 1kj2 s LYS 41 N -2.38 0.78 -1.43 1.70 2.20 0.15 -1.98 119.74 118.77 1kj2 s LYS 41 Ca 0.21 -0.60 -0.11 0.00 -0.36 0.00 0.00 55.97 55.11 1kj2 s LYS 41 Cb -0.10 -2.13 0.04 0.00 -1.51 0.00 0.00 37.83 34.13 1kj2 s LYS 41 CO 0.12 -0.70 1.10 0.09 -0.36 0.00 0.00 175.35 175.60 1kj2 n ASN 42 N 4.97 -5.67 0.00 1.43 3.02 0.02 -2.34 115.26 116.70 1kj2 n ASN 42 Ca -0.08 -0.65 0.00 0.00 -0.03 0.00 0.00 54.58 53.82 1kj2 n ASN 42 Cb 0.46 -4.54 0.00 0.00 -0.61 0.00 0.00 39.78 35.09 1kj2 n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1kj2 n GLY 43 N -1.87 3.00 3.93 7.41 0.00 -1.26 -5.05 105.19 111.35 1kj2 n GLY 43 Ca 0.02 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.76 1kj2 n GLY 43 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1kj2 s LYS 44 N -0.58 3.47 0.11 1.61 1.02 -0.99 -5.02 119.74 119.35 1kj2 s LYS 44 Ca 0.00 -0.46 -0.30 0.00 0.02 0.00 0.00 55.97 55.23 1kj2 s LYS 44 Cb 0.00 -2.95 -0.06 0.00 -0.52 0.00 0.00 37.83 34.30 1kj2 s LYS 44 CO 0.00 0.52 1.13 0.15 -0.92 0.00 0.00 175.35 176.23 1kj2 s LYS 45 N -2.99 4.52 -0.07 1.68 1.02 -1.26 -0.67 119.74 121.97 1kj2 s LYS 45 Ca 0.36 1.71 -0.27 0.00 0.02 0.00 0.00 55.97 57.79 1kj2 s LYS 45 Cb -0.12 -3.33 -0.03 0.00 -0.52 0.00 0.00 37.83 33.84 1kj2 s LYS 45 CO 0.28 -0.09 0.85 0.42 -0.92 0.00 0.00 175.35 175.89 1kj2 s ILE 46 N 0.48 4.93 0.09 2.17 1.01 0.82 -4.89 121.20 125.81 1kj2 s ILE 46 Ca 0.54 1.74 -0.13 0.00 0.00 0.00 0.00 60.65 62.80 1kj2 s ILE 46 Cb -0.28 -4.18 -0.17 0.00 0.01 0.00 0.00 42.46 37.83 1kj2 s ILE 46 CO 0.32 0.16 1.28 -0.65 0.00 0.00 0.00 174.94 176.04 1kj2 h PRO 47 N 6.91 0.77 -5.31 2.79 0.11 -1.95 -3.40 132.00 131.92 1kj2 h PRO 47 Ca -0.38 -0.66 -0.70 0.00 0.11 0.00 0.00 66.00 64.37 1kj2 h PRO 47 Cb 1.19 0.15 -0.10 0.00 0.11 0.00 0.00 31.00 32.35 1kj2 h PRO 47 CO 0.78 1.26 2.13 1.17 -0.21 0.00 0.00 178.00 183.13 1kj2 n LYS 48 N -3.94 3.21 -3.97 1.05 4.81 -1.26 -4.94 118.16 113.12 1kj2 n LYS 48 Ca -0.08 -3.33 -0.30 0.00 -0.87 0.00 0.00 58.31 53.72 1kj2 n LYS 48 Cb 0.77 -3.35 -0.16 0.00 0.02 0.00 0.00 35.03 32.30 1kj2 n LYS 48 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 1kj2 s VAL 49 N 3.38 1.61 -0.06 3.15 1.01 -1.26 -4.51 120.40 123.71 1kj2 s VAL 49 Ca 0.50 -1.10 -0.16 0.00 0.00 0.00 0.00 61.98 61.22 1kj2 s VAL 49 Cb 0.04 -1.76 -0.05 0.00 0.00 0.00 0.00 36.38 34.61 1kj2 s VAL 49 CO 0.04 0.06 0.43 -1.61 0.00 0.00 0.00 175.10 174.02 1kj2 s GLU 50 N 1.39 4.12 0.02 2.72 2.02 -0.79 -4.89 118.70 123.29 1kj2 s GLU 50 Ca -0.03 0.41 0.06 0.00 0.02 0.00 0.00 54.97 55.42 1kj2 s GLU 50 Cb -0.17 -3.32 -0.03 0.00 0.10 0.00 0.00 34.13 30.70 1kj2 s GLU 50 CO -0.07 0.45 -0.14 -1.64 0.02 0.00 0.00 175.26 173.88 1kj2 s MET 51 N -0.31 2.25 0.90 1.61 -1.94 -1.26 -0.78 119.30 119.76 1kj2 s MET 51 Ca 0.24 -0.88 -0.12 0.00 -1.71 0.00 0.00 55.69 53.22 1kj2 s MET 51 Cb -0.16 -2.30 0.13 0.00 2.01 0.00 0.00 34.83 34.51 1kj2 s MET 51 CO 0.12 0.56 1.09 -1.54 -0.01 0.00 0.00 175.02 175.24 1kj2 s SER 52 N -1.38 3.49 0.34 3.03 1.04 0.09 -4.97 113.70 115.35 1kj2 s SER 52 Ca 0.15 1.46 -0.27 0.00 0.48 0.00 0.00 55.95 57.77 1kj2 s SER 52 Cb -0.11 -2.14 -0.09 0.00 0.10 0.00 0.00 66.02 63.78 1kj2 s SER 52 CO 0.06 -2.62 1.11 -1.81 0.98 0.00 0.00 173.24 170.96 1kj2 s ASP 53 N -3.45 6.96 0.64 7.02 1.01 -1.26 -4.73 116.67 122.86 1kj2 s ASP 53 Ca 0.63 2.26 -0.17 0.00 0.71 0.00 0.00 52.55 55.98 1kj2 s ASP 53 Cb -0.18 -2.62 -0.01 0.00 1.01 0.00 0.00 42.92 41.13 1kj2 s ASP 53 CO 0.57 -0.36 1.19 -0.32 0.21 0.00 0.00 175.17 176.46 1kj2 s MET 54 N -1.89 2.71 0.13 8.23 1.75 -1.26 -4.91 119.30 124.07 1kj2 s MET 54 Ca 0.50 1.73 -0.13 0.00 -1.25 0.00 0.00 55.69 56.55 1kj2 s MET 54 Cb -0.30 -1.91 0.01 0.00 2.84 0.00 0.00 34.83 35.48 1kj2 s MET 54 CO 0.38 -1.38 0.33 -1.12 -0.65 0.00 0.00 175.02 172.58 1kj2 s SER 55 N -1.88 -0.08 0.30 1.11 0.01 -1.22 -5.05 113.70 106.88 1kj2 s SER 55 Ca 0.75 -0.56 0.03 0.00 1.31 0.00 0.00 55.95 57.48 1kj2 s SER 55 Cb -0.28 0.44 -0.06 0.00 0.21 0.00 0.00 66.02 66.33 1kj2 s SER 55 CO 0.38 -0.85 0.08 0.72 0.41 0.00 0.00 173.24 173.97 1kj2 s PHE 56 N -3.87 1.77 0.41 2.43 -0.12 -1.26 -1.74 117.98 115.60 1kj2 s PHE 56 Ca 0.07 -1.07 0.04 0.00 -0.05 0.00 0.00 56.93 55.92 1kj2 s PHE 56 Cb 0.03 -1.11 -0.05 0.00 -0.63 0.00 0.00 43.02 41.26 1kj2 s PHE 56 CO -0.08 -0.16 0.05 -1.54 -0.05 0.00 0.00 175.22 173.44 1kj2 s SER 57 N -3.42 3.22 0.24 1.98 1.04 0.38 -4.95 113.70 112.20 1kj2 s SER 57 Ca 0.37 -1.51 0.17 0.00 0.48 0.00 0.00 55.95 55.46 1kj2 s SER 57 Cb 0.08 0.11 0.83 0.00 0.10 0.00 0.00 66.02 67.15 1kj2 s SER 57 CO 0.15 -0.70 0.89 0.29 0.98 0.00 0.00 173.24 174.85 1kj2 n LYS 58 N -0.94 -0.02 -0.98 4.02 5.02 -1.26 0.13 118.16 124.13 1kj2 n LYS 58 Ca -0.08 0.73 -0.01 0.00 -2.02 0.00 0.00 58.31 56.93 1kj2 n LYS 58 Cb 0.66 -1.41 0.35 0.00 -0.02 0.00 0.00 35.03 34.61 1kj2 n LYS 58 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1kj2 n ASP 59 N -3.91 5.23 0.00 4.39 5.68 -1.26 -4.92 116.55 121.76 1kj2 n ASP 59 Ca 0.23 -3.10 0.00 0.00 -0.50 0.00 0.00 54.79 51.42 1kj2 n ASP 59 Cb 0.86 -0.73 0.00 0.00 -1.14 0.00 0.00 41.12 40.12 1kj2 n ASP 59 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 1kj2 n TRP 60 N 0.18 0.00 -3.26 2.11 7.02 0.36 -5.00 117.44 118.84 1kj2 n TRP 60 Ca 0.36 0.00 -0.37 0.00 -1.02 0.00 0.00 57.50 56.47 1kj2 n TRP 60 Cb 1.32 -1.01 -0.06 0.00 -2.42 0.00 0.00 31.31 29.13 1kj2 n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 1kj2 s SER 61 N -2.22 6.97 0.68 -0.99 1.04 -1.25 -4.72 113.70 113.22 1kj2 s SER 61 Ca 0.00 1.23 -0.07 0.00 0.48 0.00 0.00 55.95 57.60 1kj2 s SER 61 Cb 0.00 -2.35 0.05 0.00 0.10 0.00 0.00 66.02 63.82 1kj2 s SER 61 CO 0.00 0.15 1.00 -0.36 0.98 0.00 0.00 173.24 175.00 1kj2 s PHE 62 N -1.35 3.00 -0.17 5.02 0.40 -0.39 -0.47 117.98 124.02 1kj2 s PHE 62 Ca 0.36 0.51 -0.25 0.00 -0.60 0.00 0.00 56.93 56.95 1kj2 s PHE 62 Cb -0.17 -3.10 0.06 0.00 0.51 0.00 0.00 43.02 40.32 1kj2 s PHE 62 CO 0.20 -1.29 0.64 1.52 0.70 0.00 0.00 175.22 176.99 1kj2 s TYR 63 N -3.21 -0.66 -0.02 0.36 -0.85 -0.71 -2.41 117.35 109.85 1kj2 s TYR 63 Ca 0.59 1.46 -0.09 0.00 -0.52 0.00 0.00 57.07 58.51 1kj2 s TYR 63 Cb -0.11 0.29 0.01 0.00 0.38 0.00 0.00 41.96 42.53 1kj2 s TYR 63 CO 0.45 -0.43 0.19 -1.50 -1.52 0.00 0.00 175.55 172.73 1kj2 s ILE 64 N -0.26 0.06 -0.22 -3.49 2.07 0.34 -3.43 121.20 116.26 1kj2 s ILE 64 Ca -0.04 -0.49 0.02 0.00 -1.41 0.00 0.00 60.65 58.72 1kj2 s ILE 64 Cb -0.03 -0.44 0.05 0.00 0.13 0.00 0.00 42.46 42.17 1kj2 s ILE 64 CO 0.04 -0.27 -0.12 -0.22 -1.91 0.00 0.00 174.94 172.46 1kj2 s LEU 65 N -1.04 2.72 0.25 8.50 2.96 -1.26 -1.31 118.68 129.50 1kj2 s LEU 65 Ca -0.11 -1.06 0.02 0.00 -0.22 0.00 0.00 54.13 52.75 1kj2 s LEU 65 Cb -0.06 -1.39 -0.04 0.00 0.50 0.00 0.00 46.19 45.21 1kj2 s LEU 65 CO 0.02 -0.14 0.42 0.00 -1.32 0.00 0.00 176.35 175.32 1kj2 s ALA 66 N 1.27 3.83 0.34 5.97 0.00 -0.21 -0.73 121.76 132.23 1kj2 s ALA 66 Ca -0.03 -0.98 -0.17 0.00 0.00 0.00 0.00 51.96 50.77 1kj2 s ALA 66 Cb -0.17 -1.93 0.06 0.00 0.00 0.00 0.00 23.12 21.07 1kj2 s ALA 66 CO -0.08 0.26 0.85 -3.38 0.00 0.00 0.00 175.76 173.41 1kj2 s HIS 67 N -2.02 0.12 0.00 0.00 -3.43 0.04 -1.19 115.29 108.82 1kj2 s HIS 67 Ca 0.37 -0.74 0.00 0.00 -0.80 0.00 0.00 55.06 53.89 1kj2 s HIS 67 Cb -0.10 0.81 0.00 0.00 -1.43 0.00 0.00 32.58 31.86 1kj2 s HIS 67 CO 0.31 -1.43 0.00 -2.37 -2.00 0.00 0.00 174.74 169.25 1kj2 n THR 68 N -0.58 0.00 -2.21 -5.38 5.66 -0.97 -1.88 114.28 108.92 1kj2 n THR 68 Ca -0.07 0.00 -0.39 0.00 -3.05 0.00 0.00 64.05 60.54 1kj2 n THR 68 Cb 0.60 0.00 -0.01 0.00 -1.55 0.00 0.00 70.33 69.36 1kj2 n THR 68 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 175.07 170.41 1kj2 s GLU 69 N -1.27 4.04 0.10 1.09 2.02 -1.26 -1.52 118.70 121.90 1kj2 s GLU 69 Ca 0.00 1.95 -0.25 0.00 0.02 0.00 0.00 54.97 56.69 1kj2 s GLU 69 Cb 0.00 -2.72 0.07 0.00 0.10 0.00 0.00 34.13 31.58 1kj2 s GLU 69 CO 0.00 -0.36 0.63 -0.59 0.02 0.00 0.00 175.26 174.96 1kj2 s PHE 70 N -1.35 -0.57 -0.25 1.61 -0.71 -0.79 -4.85 117.98 111.07 1kj2 s PHE 70 Ca 0.57 0.54 -0.01 0.00 -1.04 0.00 0.00 56.93 56.99 1kj2 s PHE 70 Cb -0.33 0.52 0.08 0.00 -1.21 0.00 0.00 43.02 42.07 1kj2 s PHE 70 CO 0.42 -0.77 0.04 -0.08 -1.34 0.00 0.00 175.22 173.49 1kj2 s THR 71 N -3.03 0.86 0.56 -4.49 -1.32 -1.26 -0.14 115.64 106.82 1kj2 s THR 71 Ca -0.02 -1.02 -0.21 0.00 -1.21 0.00 0.00 61.69 59.22 1kj2 s THR 71 Cb -0.01 -1.44 -0.04 0.00 -1.51 0.00 0.00 72.50 69.50 1kj2 s THR 71 CO -0.07 -0.38 1.31 -2.16 -2.21 0.00 0.00 174.62 171.12 1kj2 s PRO 72 N 1.67 3.11 0.36 7.08 0.04 -1.26 -4.72 135.00 141.28 1kj2 s PRO 72 Ca 0.02 2.12 0.04 0.00 0.04 0.00 0.00 61.00 63.22 1kj2 s PRO 72 Cb -0.17 -2.18 -0.04 0.00 0.04 0.00 0.00 34.50 32.15 1kj2 s PRO 72 CO -0.14 -1.18 0.12 0.95 0.04 0.00 0.00 177.00 176.79 1kj2 s THR 73 N -1.37 0.63 0.21 1.26 -4.23 -1.26 -0.39 115.64 110.49 1kj2 s THR 73 Ca 0.73 -2.00 -0.06 0.00 -1.18 0.00 0.00 61.69 59.18 1kj2 s THR 73 Cb -0.38 -2.48 0.06 0.00 1.34 0.00 0.00 72.50 71.05 1kj2 s THR 73 CO 0.44 0.00 1.66 -0.08 -0.54 0.00 0.00 174.62 176.10 1kj2 h GLU 74 N 1.97 0.90 0.11 3.99 4.57 -1.97 -3.36 114.58 120.78 1kj2 h GLU 74 Ca -0.36 -0.31 -0.37 0.00 -1.18 0.00 0.00 59.36 57.15 1kj2 h GLU 74 Cb 1.26 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 29.75 1kj2 h GLU 74 CO 0.58 0.95 -2.05 0.25 -1.18 0.00 0.00 179.01 177.55 1kj2 n THR 75 N -4.16 1.74 -1.56 0.32 -2.24 -1.26 -4.99 114.28 102.13 1kj2 n THR 75 Ca 0.02 -0.65 -0.44 0.00 -2.27 0.00 0.00 64.05 60.70 1kj2 n THR 75 Cb 0.37 -1.67 -0.01 0.00 -2.10 0.00 0.00 70.33 66.92 1kj2 n THR 75 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1kj2 n ASP 76 N -3.44 0.89 -4.51 3.42 8.00 -1.26 -5.00 116.55 114.65 1kj2 n ASP 76 Ca -0.33 1.14 -0.33 0.00 0.71 0.00 0.00 54.79 55.98 1kj2 n ASP 76 Cb 1.04 -1.25 -0.12 0.00 -0.02 0.00 0.00 41.12 40.77 1kj2 n ASP 76 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1kj2 s THR 77 N -1.11 3.29 0.01 -3.53 2.01 -1.26 -4.82 115.64 110.23 1kj2 s THR 77 Ca 0.60 -0.64 0.03 0.00 0.31 0.00 0.00 61.69 61.99 1kj2 s THR 77 Cb -0.70 -2.31 -0.01 0.00 0.01 0.00 0.00 72.50 69.49 1kj2 s THR 77 CO 0.59 0.59 -0.09 -0.31 -0.69 0.00 0.00 174.62 174.72 1kj2 s TYR 78 N -0.74 0.77 0.24 4.92 1.51 -1.26 -0.80 117.35 121.99 1kj2 s TYR 78 Ca 0.11 -0.23 -0.11 0.00 -1.01 0.00 0.00 57.07 55.84 1kj2 s TYR 78 Cb -0.11 -0.48 -0.01 0.00 -0.11 0.00 0.00 41.96 41.25 1kj2 s TYR 78 CO 0.01 -0.02 0.41 0.00 -1.11 0.00 0.00 175.55 174.84 1kj2 s ALA 79 N -0.49 0.02 -0.10 3.71 0.00 -0.84 0.57 121.76 124.64 1kj2 s ALA 79 Ca 0.01 -1.03 0.00 0.00 0.00 0.00 0.00 51.96 50.94 1kj2 s ALA 79 Cb -0.05 1.12 0.02 0.00 0.00 0.00 0.00 23.12 24.22 1kj2 s ALA 79 CO 0.00 -0.80 -0.09 0.00 0.00 0.00 0.00 175.76 174.87 1kj2 s ARG 81 N 1.41 3.58 -0.14 0.00 3.52 0.20 -1.88 118.95 125.65 1kj2 s ARG 81 Ca -0.00 -0.55 0.00 0.00 -0.13 0.00 0.00 55.73 55.05 1kj2 s ARG 81 Cb -0.13 -2.97 -0.01 0.00 -1.56 0.00 0.00 34.95 30.28 1kj2 s ARG 81 CO -0.05 0.09 -0.15 0.08 -0.81 0.00 0.00 175.30 174.45 1kj2 s VAL 82 N 0.77 2.80 -0.18 7.11 1.01 0.13 -0.56 120.40 131.48 1kj2 s VAL 82 Ca -0.01 -0.74 -0.04 0.00 0.00 0.00 0.00 61.98 61.19 1kj2 s VAL 82 Cb -0.14 -2.17 -0.02 0.00 0.00 0.00 0.00 36.38 34.05 1kj2 s VAL 82 CO 0.02 0.52 -0.04 -0.54 0.00 0.00 0.00 175.10 175.07 1kj2 s LYS 83 N 0.53 3.57 -0.22 2.72 1.02 0.62 -1.81 119.74 126.16 1kj2 s LYS 83 Ca -0.10 -0.56 -0.15 0.00 0.02 0.00 0.00 55.97 55.19 1kj2 s LYS 83 Cb -0.16 -2.95 0.07 0.00 -0.52 0.00 0.00 37.83 34.26 1kj2 s LYS 83 CO 0.04 0.09 0.56 -1.58 -0.92 0.00 0.00 175.35 173.53 1kj2 s HIS 84 N 0.77 -0.79 0.30 3.18 2.46 -1.26 -1.81 115.29 118.13 1kj2 s HIS 84 Ca -0.01 1.68 0.09 0.00 0.47 0.00 0.00 55.06 57.29 1kj2 s HIS 84 Cb -0.14 0.40 0.90 0.00 -0.13 0.00 0.00 32.58 33.60 1kj2 s HIS 84 CO 0.02 -0.41 1.39 -0.25 -2.47 0.00 0.00 174.74 173.02 1kj2 n ASP 85 N 3.91 0.08 0.23 9.88 8.00 -1.26 0.86 116.55 138.24 1kj2 n ASP 85 Ca -0.20 1.48 0.16 0.00 0.71 0.00 0.00 54.79 56.94 1kj2 n ASP 85 Cb 0.57 -0.62 0.82 0.00 -0.02 0.00 0.00 41.12 41.87 1kj2 n ASP 85 CO 0.00 0.00 0.00 0.77 -0.39 0.00 0.00 177.20 177.58 1kj2 h SER 86 N 0.00 0.00 -3.27 -2.24 4.64 -1.90 -3.42 113.55 107.36 1kj2 h SER 86 Ca 0.63 0.00 -0.63 0.00 -0.47 0.00 0.00 61.79 61.31 1kj2 h SER 86 Cb 1.49 0.00 -0.17 0.00 -0.31 0.00 0.00 62.40 63.41 1kj2 h SER 86 CO -0.76 0.00 -0.60 -0.04 -0.87 0.00 0.00 176.83 174.55 1kj2 s MET 87 N -3.76 3.69 0.22 4.77 -1.94 0.25 -4.95 119.30 117.59 1kj2 s MET 87 Ca -0.03 -0.40 -0.17 0.00 -1.71 0.00 0.00 55.69 53.39 1kj2 s MET 87 Cb 0.09 -3.05 0.24 0.00 2.01 0.00 0.00 34.83 34.13 1kj2 s MET 87 CO 0.30 0.36 1.57 0.00 -0.01 0.00 0.00 175.02 177.24 1kj2 h ALA 88 N 6.35 0.21 -2.81 3.03 0.00 -1.84 -3.43 119.26 120.76 1kj2 h ALA 88 Ca -0.38 0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 1kj2 h ALA 88 Cb 1.18 0.86 -0.11 0.00 0.00 0.00 0.00 17.79 19.72 1kj2 h ALA 88 CO 0.65 -0.58 -0.04 -1.83 0.00 0.00 0.00 179.25 177.44 1kj2 s GLU 89 N -6.04 1.29 0.34 0.00 4.04 -1.26 -5.11 118.70 111.96 1kj2 s GLU 89 Ca -0.14 -0.89 -0.08 0.00 0.04 0.00 0.00 54.97 53.90 1kj2 s GLU 89 Cb 0.20 0.49 -0.07 0.00 0.02 0.00 0.00 34.13 34.77 1kj2 s GLU 89 CO 0.72 -0.53 -0.21 -2.30 -1.84 0.00 0.00 175.26 171.10 1kj2 n PRO 90 N -0.30 0.00 -4.25 -4.83 -0.02 -1.26 -4.96 135.00 119.38 1kj2 n PRO 90 Ca -0.11 0.00 -0.24 0.00 -2.02 0.00 0.00 63.50 61.13 1kj2 n PRO 90 Cb 0.63 -0.47 -0.17 0.00 -0.02 0.00 0.00 33.50 33.47 1kj2 n PRO 90 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1kj2 s LYS 91 N -0.68 1.39 0.05 -0.52 2.20 -0.75 -4.97 119.74 116.45 1kj2 s LYS 91 Ca 0.23 -0.27 0.06 0.00 -0.36 0.00 0.00 55.97 55.63 1kj2 s LYS 91 Cb -0.16 -1.30 -0.04 0.00 -1.51 0.00 0.00 37.83 34.82 1kj2 s LYS 91 CO 0.35 -0.10 -0.12 0.99 -0.36 0.00 0.00 175.35 176.11 1kj2 s THR 92 N 1.09 3.24 -0.05 3.43 2.01 -1.26 -0.69 115.64 123.42 1kj2 s THR 92 Ca -0.07 -1.10 -0.02 0.00 0.31 0.00 0.00 61.69 60.81 1kj2 s THR 92 Cb -0.14 -2.44 0.03 0.00 0.01 0.00 0.00 72.50 69.96 1kj2 s THR 92 CO -0.01 0.27 0.05 -0.69 -0.69 0.00 0.00 174.62 173.55 1kj2 s VAL 93 N -1.05 -0.03 0.29 3.82 1.01 -0.79 -4.97 120.40 118.68 1kj2 s VAL 93 Ca 0.18 0.35 -0.20 0.00 0.00 0.00 0.00 61.98 62.31 1kj2 s VAL 93 Cb -0.11 -0.23 -0.09 0.00 0.00 0.00 0.00 36.38 35.95 1kj2 s VAL 93 CO 0.09 0.18 0.80 -0.31 0.00 0.00 0.00 175.10 175.85 1kj2 s TYR 94 N 2.13 3.55 0.10 5.22 2.02 -1.26 -1.23 117.35 127.89 1kj2 s TYR 94 Ca 0.05 1.45 -0.30 0.00 -0.37 0.00 0.00 57.07 57.90 1kj2 s TYR 94 Cb -0.12 -2.69 -0.06 0.00 -0.40 0.00 0.00 41.96 38.69 1kj2 s TYR 94 CO -0.04 0.20 1.18 -0.46 -1.57 0.00 0.00 175.55 174.86 1kj2 s TRP 95 N -1.73 3.47 -0.27 2.71 -0.00 0.19 -4.86 118.94 118.46 1kj2 s TRP 95 Ca 0.49 1.38 0.03 0.00 -0.00 0.00 0.00 56.10 58.00 1kj2 s TRP 95 Cb -0.15 -3.39 0.06 0.00 -0.00 0.00 0.00 33.47 29.99 1kj2 s TRP 95 CO 0.20 -1.13 -0.09 0.34 -0.00 0.00 0.00 176.95 176.26 1kj2 s ASP 96 N 0.68 4.45 0.58 5.86 -1.08 -1.26 -4.72 116.67 121.18 1kj2 s ASP 96 Ca 0.56 -1.45 0.37 0.00 -0.52 0.00 0.00 52.55 51.50 1kj2 s ASP 96 Cb -0.30 -1.54 1.40 0.00 -1.46 0.00 0.00 42.92 41.02 1kj2 s ASP 96 CO 0.32 -0.21 1.58 -0.09 0.52 0.00 0.00 175.17 177.29 1kj2 h ARG 97 N 7.76 0.00 0.00 4.34 2.43 -1.95 0.16 114.38 127.12 1kj2 h ARG 97 Ca -0.18 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.99 1kj2 h ARG 97 Cb 1.04 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.59 1kj2 h ARG 97 CO 0.46 0.00 -0.63 -0.44 -1.51 0.00 0.00 179.97 177.85 1kj2 h ASP 98 N 0.00 0.00 -0.03 -3.80 3.32 -2.00 -3.45 116.42 110.46 1kj2 h ASP 98 Ca 0.61 -0.16 0.00 0.00 0.02 0.00 0.00 57.03 57.51 1kj2 h ASP 98 Cb 2.82 0.00 0.00 0.00 0.22 0.00 0.00 39.33 42.37 1kj2 h ASP 98 CO -0.01 0.08 0.00 0.23 -1.72 0.00 0.00 179.24 177.82