#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2j97 s MET 9 N 0.00 4.42 0.26 1.97 -2.45 -1.26 -4.65 119.30 117.59 2j97 s MET 9 Ca 0.00 1.86 0.07 0.00 -1.25 0.00 0.00 55.69 56.37 2j97 s MET 9 Cb 0.00 -3.00 -0.05 0.00 1.25 0.00 0.00 34.83 33.02 2j97 s MET 9 CO 0.00 -0.00 -0.08 0.15 1.05 0.00 0.00 175.02 176.14 2j97 s LYS 10 N -1.78 1.50 0.01 4.11 1.02 0.30 -4.97 119.74 119.94 2j97 s LYS 10 Ca 0.49 -1.74 0.07 0.00 0.02 0.00 0.00 55.97 54.80 2j97 s LYS 10 Cb -0.32 -1.15 -0.02 0.00 -0.52 0.00 0.00 37.83 35.82 2j97 s LYS 10 CO 0.41 0.07 -0.20 0.08 -0.92 0.00 0.00 175.35 174.80 2j97 s VAL 11 N -3.00 1.60 -0.07 3.17 1.01 -1.26 -1.05 120.40 120.80 2j97 s VAL 11 Ca 0.28 -1.00 -0.03 0.00 0.00 0.00 0.00 61.98 61.23 2j97 s VAL 11 Cb 0.03 -1.36 0.04 0.00 0.00 0.00 0.00 36.38 35.09 2j97 s VAL 11 CO 0.11 0.34 0.17 -0.75 0.00 0.00 0.00 175.10 174.96 2j97 s LYS 12 N -0.78 0.12 0.29 2.72 2.20 -0.17 -4.95 119.74 119.16 2j97 s LYS 12 Ca 0.07 0.40 -0.30 0.00 -0.36 0.00 0.00 55.97 55.79 2j97 s LYS 12 Cb -0.08 -0.16 -0.11 0.00 -1.51 0.00 0.00 37.83 35.97 2j97 s LYS 12 CO 0.00 -0.16 1.52 0.00 -0.36 0.00 0.00 175.35 176.35 2j97 s ALA 13 N 1.17 3.68 -0.07 3.13 0.00 -1.26 -0.50 121.76 127.91 2j97 s ALA 13 Ca -0.09 1.47 -0.12 0.00 0.00 0.00 0.00 51.96 53.22 2j97 s ALA 13 Cb -0.11 -3.60 0.03 0.00 0.00 0.00 0.00 23.12 19.43 2j97 s ALA 13 CO -0.06 -0.89 0.30 0.99 0.00 0.00 0.00 175.76 176.09 2j97 s THR 14 N -0.15 0.03 -0.05 0.00 2.01 -0.15 -4.86 115.64 112.48 2j97 s THR 14 Ca 0.60 -0.23 -0.15 0.00 0.31 0.00 0.00 61.69 62.22 2j97 s THR 14 Cb -0.45 -0.50 -0.05 0.00 0.01 0.00 0.00 72.50 71.50 2j97 s THR 14 CO 0.48 -0.13 0.40 -0.75 -0.69 0.00 0.00 174.62 173.94 2j97 s LYS 15 N -0.50 4.05 0.33 4.92 2.20 -1.26 -1.82 119.74 127.66 2j97 s LYS 15 Ca -0.06 0.37 0.09 0.00 -0.36 0.00 0.00 55.97 56.01 2j97 s LYS 15 Cb -0.04 -3.30 -0.05 0.00 -1.51 0.00 0.00 37.83 32.93 2j97 s LYS 15 CO 0.02 0.51 0.00 0.20 -0.36 0.00 0.00 175.35 175.72 2j97 s GLY 16 N -0.47 2.03 -0.05 5.54 0.00 -0.17 -2.47 107.32 111.74 2j97 s GLY 16 Ca 0.23 -1.94 -0.17 0.00 0.00 0.00 0.00 44.72 42.84 2j97 s GLY 16 CO 0.11 -1.89 0.38 1.85 0.00 0.00 0.00 173.10 173.55 2j97 s GLU 17 N -3.70 0.68 0.00 2.90 2.12 -0.34 -0.84 118.70 119.51 2j97 s GLU 17 Ca 0.34 0.03 0.00 0.00 0.36 0.00 0.00 54.97 55.71 2j97 s GLU 17 Cb -0.01 0.31 0.00 0.00 0.26 0.00 0.00 34.13 34.69 2j97 s GLU 17 CO 0.19 -0.18 0.00 0.41 -0.54 0.00 0.00 175.26 175.15 2j97 n GLY 18 N 1.57 5.37 3.67 -1.50 0.00 -0.01 -0.53 105.19 113.76 2j97 n GLY 18 Ca -0.19 -1.45 -0.43 0.00 0.00 0.00 0.00 46.02 43.95 2j97 n GLY 18 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2j97 n ASP 19 N 0.00 2.35 0.00 1.61 8.00 -1.26 -2.02 116.55 125.24 2j97 n ASP 19 Ca 0.00 1.19 0.00 0.00 0.71 0.00 0.00 54.79 56.69 2j97 n ASP 19 Cb 0.00 -1.44 0.00 0.00 -0.02 0.00 0.00 41.12 39.66 2j97 n ASP 19 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2j97 n GLY 20 N 0.89 0.45 2.18 0.44 0.00 -1.26 -3.32 105.19 104.57 2j97 n GLY 20 Ca 0.06 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.05 2j97 n GLY 20 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2j97 n GLY 21 N -2.30 0.61 3.71 -0.02 0.00 -0.86 -5.00 105.19 101.33 2j97 n GLY 21 Ca 0.00 -0.52 -0.42 0.00 0.00 0.00 0.00 46.02 45.08 2j97 n GLY 21 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2j97 s ILE 22 N -2.02 3.68 0.35 -0.61 1.01 -1.21 -4.84 121.20 117.56 2j97 s ILE 22 Ca 0.00 1.17 0.08 0.00 0.00 0.00 0.00 60.65 61.90 2j97 s ILE 22 Cb 0.00 -3.75 -0.03 0.00 0.01 0.00 0.00 42.46 38.69 2j97 s ILE 22 CO 0.00 0.06 0.23 0.42 0.00 0.00 0.00 174.94 175.65 2j97 s THR 23 N 1.53 3.23 0.05 2.92 -4.23 -1.26 -0.83 115.64 117.04 2j97 s THR 23 Ca 0.62 -1.51 -0.01 0.00 -1.18 0.00 0.00 61.69 59.61 2j97 s THR 23 Cb -0.32 -3.08 -0.04 0.00 1.34 0.00 0.00 72.50 70.40 2j97 s THR 23 CO 0.28 -0.16 -0.03 -0.94 -0.54 0.00 0.00 174.62 173.23 2j97 s SER 24 N -3.94 0.55 0.01 3.99 1.04 -0.02 -4.94 113.70 110.39 2j97 s SER 24 Ca 0.40 -0.97 0.07 0.00 0.48 0.00 0.00 55.95 55.94 2j97 s SER 24 Cb -0.04 0.18 -0.03 0.00 0.10 0.00 0.00 66.02 66.24 2j97 s SER 24 CO 0.25 -0.56 -0.23 -1.61 0.98 0.00 0.00 173.24 172.07 2j97 s GLU 25 N -3.74 2.08 0.19 4.02 0.41 -1.26 -1.00 118.70 119.40 2j97 s GLU 25 Ca 0.06 -0.95 -0.13 0.00 -0.41 0.00 0.00 54.97 53.54 2j97 s GLU 25 Cb 0.06 -2.11 0.05 0.00 -1.78 0.00 0.00 34.13 30.35 2j97 s GLU 25 CO -0.09 0.55 0.65 0.41 -0.49 0.00 0.00 175.26 176.30 2j97 n GLY 26 N 2.05 1.01 3.53 -1.39 0.00 -0.76 -4.47 105.19 105.17 2j97 n GLY 26 Ca -0.16 -1.13 -0.36 0.00 0.00 0.00 0.00 46.02 44.37 2j97 n GLY 26 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2j97 s ASN 27 N -2.60 5.39 0.06 1.61 0.02 -0.03 -0.97 114.94 118.42 2j97 s ASN 27 Ca 0.14 -0.09 -0.23 0.00 -1.02 0.00 0.00 52.86 51.66 2j97 s ASN 27 Cb -0.03 -1.96 -0.06 0.00 0.02 0.00 0.00 41.25 39.23 2j97 s ASN 27 CO 0.06 0.04 0.71 0.00 0.02 0.00 0.00 177.10 177.92 2j97 s ALA 28 N 1.19 3.44 -0.19 0.60 0.00 0.35 -0.81 121.76 126.33 2j97 s ALA 28 Ca 0.05 0.21 -0.08 0.00 0.00 0.00 0.00 51.96 52.14 2j97 s ALA 28 Cb -0.14 -2.89 -0.04 0.00 0.00 0.00 0.00 23.12 20.04 2j97 s ALA 28 CO 0.04 0.17 0.09 -0.51 0.00 0.00 0.00 175.76 175.55 2j97 s LEU 29 N -0.44 3.95 0.26 0.00 1.02 0.26 -1.00 118.68 122.73 2j97 s LEU 29 Ca 0.35 0.12 -0.09 0.00 0.02 0.00 0.00 54.13 54.54 2j97 s LEU 29 Cb -0.20 -2.01 -0.01 0.00 0.02 0.00 0.00 46.19 43.98 2j97 s LEU 29 CO 0.22 0.16 0.42 -0.72 0.02 0.00 0.00 176.35 176.45 2j97 s TYR 30 N 0.45 0.63 0.03 0.29 -0.85 -0.22 -0.57 117.35 117.11 2j97 s TYR 30 Ca 0.05 -0.95 0.04 0.00 -0.52 0.00 0.00 57.07 55.70 2j97 s TYR 30 Cb -0.12 0.01 -0.02 0.00 0.38 0.00 0.00 41.96 42.21 2j97 s TYR 30 CO -0.00 -0.96 -0.13 -0.80 -1.52 0.00 0.00 175.55 172.14 2j97 s ASN 31 N -3.08 1.51 0.53 -0.18 0.01 -0.69 -0.54 114.94 112.50 2j97 s ASN 31 Ca 0.27 -0.42 0.00 0.00 -0.71 0.00 0.00 52.86 52.00 2j97 s ASN 31 Cb 0.01 -0.10 0.00 0.00 0.41 0.00 0.00 41.25 41.57 2j97 s ASN 31 CO 0.12 0.03 0.00 0.59 -1.51 0.00 0.00 177.10 176.32 2j97 n ASN 32 N 2.01 0.00 -3.38 -1.22 5.03 -1.26 -0.75 115.26 115.69 2j97 n ASN 32 Ca -0.18 0.00 -0.14 0.00 0.87 0.00 0.00 54.58 55.14 2j97 n ASN 32 Cb 0.55 0.00 -0.09 0.00 -1.02 0.00 0.00 39.78 39.22 2j97 n ASN 32 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2j97 s ALA 37 N -1.00 -0.75 -0.27 5.41 0.00 -1.26 -5.12 121.76 118.77 2j97 s ALA 37 Ca 0.00 0.14 -0.06 0.00 0.00 0.00 0.00 51.96 52.04 2j97 s ALA 37 Cb 0.00 -1.78 -0.00 0.00 0.00 0.00 0.00 23.12 21.34 2j97 s ALA 37 CO 0.00 -1.56 0.06 -0.06 0.00 0.00 0.00 175.76 174.20 2j97 s PHE 38 N 2.44 3.10 0.16 0.00 0.08 0.07 -5.08 117.98 118.76 2j97 s PHE 38 Ca 0.10 -0.83 -0.30 0.00 0.12 0.00 0.00 56.93 56.02 2j97 s PHE 38 Cb -0.14 -2.23 -0.07 0.00 -0.57 0.00 0.00 43.02 40.01 2j97 s PHE 38 CO -0.26 -0.52 0.98 1.41 -0.10 0.00 0.00 175.22 176.73 2j97 s MET 39 N 1.53 4.74 -0.15 0.44 -2.45 -1.26 -1.70 119.30 120.44 2j97 s MET 39 Ca 0.04 1.51 0.06 0.00 -1.25 0.00 0.00 55.69 56.04 2j97 s MET 39 Cb -0.16 -3.33 -0.13 0.00 1.25 0.00 0.00 34.83 32.46 2j97 s MET 39 CO 0.02 0.29 -0.07 0.66 1.05 0.00 0.00 175.02 176.98 2j97 n TYR 40 N 2.28 0.00 -3.74 4.11 4.01 0.26 -4.88 117.16 119.19 2j97 n TYR 40 Ca 0.01 0.00 -0.06 0.00 -0.16 0.00 0.00 57.90 57.69 2j97 n TYR 40 Cb 0.48 -0.65 -0.02 0.00 -0.31 0.00 0.00 39.34 38.84 2j97 n TYR 40 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2j97 s ALA 41 N -2.33 -1.51 -0.02 -0.72 0.00 -1.12 -1.71 121.76 114.35 2j97 s ALA 41 Ca -0.16 0.07 -0.00 0.00 0.00 0.00 0.00 51.96 51.87 2j97 s ALA 41 Cb 0.05 0.72 0.03 0.00 0.00 0.00 0.00 23.12 23.92 2j97 s ALA 41 CO 0.46 -0.99 0.04 -0.47 0.00 0.00 0.00 175.76 174.79 2j97 s TYR 42 N -3.54 0.01 -0.14 0.00 5.04 0.05 -0.57 117.35 118.20 2j97 s TYR 42 Ca 0.10 0.15 0.02 0.00 -2.44 0.00 0.00 57.07 54.90 2j97 s TYR 42 Cb -0.03 -0.21 0.00 0.00 0.35 0.00 0.00 41.96 42.08 2j97 s TYR 42 CO 0.02 -0.09 -0.20 0.08 -1.34 0.00 0.00 175.55 174.02 2j97 s VAL 43 N 0.99 2.31 0.00 3.14 1.01 0.01 -0.15 120.40 127.71 2j97 s VAL 43 Ca -0.08 -0.90 0.00 0.00 0.00 0.00 0.00 61.98 61.00 2j97 s VAL 43 Cb -0.12 -1.94 0.00 0.00 0.00 0.00 0.00 36.38 34.33 2j97 s VAL 43 CO -0.03 0.54 0.00 1.07 0.00 0.00 0.00 175.10 176.68 2j97 n THR 44 N 3.94 0.00 0.17 3.92 5.66 -0.55 -0.85 114.28 126.57 2j97 n THR 44 Ca -0.19 0.00 0.04 0.00 -3.05 0.00 0.00 64.05 60.85 2j97 n THR 44 Cb 0.52 0.00 0.06 0.00 -1.55 0.00 0.00 70.33 69.36 2j97 n THR 44 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 2j97 n THR 45 N 0.00 0.37 -4.10 1.09 -2.24 -1.26 -1.12 114.28 107.03 2j97 n THR 45 Ca 0.00 -0.69 -0.14 0.00 -2.27 0.00 0.00 64.05 60.95 2j97 n THR 45 Cb 0.00 0.92 -0.11 0.00 -2.10 0.00 0.00 70.33 69.04 2j97 n THR 45 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 2j97 s LYS 46 N -0.81 0.62 0.86 -0.78 -2.85 -1.26 -4.88 119.74 110.64 2j97 s LYS 46 Ca 0.13 -0.84 -0.13 0.00 -1.00 0.00 0.00 55.97 54.12 2j97 s LYS 46 Cb 0.08 -0.42 0.12 0.00 -2.06 0.00 0.00 37.83 35.55 2j97 s LYS 46 CO 0.11 0.08 1.22 -1.25 0.10 0.00 0.00 175.35 175.61 2j97 s PRO 47 N -1.74 1.53 0.00 1.78 0.04 -1.26 -4.56 135.00 130.79 2j97 s PRO 47 Ca -0.07 -0.03 0.00 0.00 0.04 0.00 0.00 61.00 60.94 2j97 s PRO 47 Cb -0.09 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.53 2j97 s PRO 47 CO 0.01 -1.87 0.00 0.41 0.04 0.00 0.00 177.00 175.59 2j97 n GLY 48 N -3.38 0.89 3.76 0.56 0.00 -1.26 -5.02 105.19 100.75 2j97 n GLY 48 Ca 0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.72 2j97 n GLY 48 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2j97 s MET 49 N -0.38 4.69 -0.06 1.61 -1.94 -1.26 -4.01 119.30 117.95 2j97 s MET 49 Ca 0.00 1.67 0.08 0.00 -1.71 0.00 0.00 55.69 55.73 2j97 s MET 49 Cb 0.00 -3.18 -0.11 0.00 2.01 0.00 0.00 34.83 33.55 2j97 s MET 49 CO 0.00 0.30 0.08 1.63 -0.01 0.00 0.00 175.02 177.02 2j97 n LYS 50 N 1.22 1.95 -3.71 2.03 4.76 0.31 -4.85 118.16 119.87 2j97 n LYS 50 Ca -0.01 -0.03 -0.10 0.00 -2.87 0.00 0.00 58.31 55.30 2j97 n LYS 50 Cb 0.46 -1.21 -0.04 0.00 -1.84 0.00 0.00 35.03 32.40 2j97 n LYS 50 CO 0.00 0.00 0.00 1.52 -1.37 0.00 0.00 177.40 177.55 2j97 s TYR 51 N -2.32 -0.14 0.19 2.13 -0.85 -0.96 -0.89 117.35 114.51 2j97 s TYR 51 Ca -0.04 -0.19 0.11 0.00 -0.52 0.00 0.00 57.07 56.42 2j97 s TYR 51 Cb 0.03 0.36 -0.04 0.00 0.38 0.00 0.00 41.96 42.69 2j97 s TYR 51 CO 0.34 -0.87 -0.22 0.14 -1.52 0.00 0.00 175.55 173.43 2j97 s VAL 52 N -3.86 2.19 -0.52 -3.49 -7.23 -0.22 -1.20 120.40 106.08 2j97 s VAL 52 Ca 0.08 -2.00 -0.18 0.00 -1.81 0.00 0.00 61.98 58.07 2j97 s VAL 52 Cb -0.00 -2.04 0.08 0.00 0.56 0.00 0.00 36.38 34.98 2j97 s VAL 52 CO -0.05 -0.18 0.56 -0.54 -0.31 0.00 0.00 175.10 174.59 2j97 s LYS 53 N -2.70 3.05 -0.33 4.82 -0.14 -1.03 -0.92 119.74 122.49 2j97 s LYS 53 Ca 0.19 -1.21 -0.11 0.00 -1.36 0.00 0.00 55.97 53.48 2j97 s LYS 53 Cb -0.07 -4.17 -0.00 0.00 -1.68 0.00 0.00 37.83 31.91 2j97 s LYS 53 CO 0.09 -1.25 0.18 -0.46 -0.76 0.00 0.00 175.35 173.15 2j97 s TRP 54 N 2.24 3.20 0.06 3.18 -0.00 0.14 -4.50 118.94 123.27 2j97 s TRP 54 Ca 0.10 -0.59 -0.19 0.00 -0.00 0.00 0.00 56.10 55.41 2j97 s TRP 54 Cb -0.23 -2.40 -0.10 0.00 -0.00 0.00 0.00 33.47 30.73 2j97 s TRP 54 CO 0.08 -0.48 0.45 -0.85 -0.00 0.00 0.00 176.95 176.15 2j97 n GLU 55 N 5.01 0.00 -4.02 5.86 0.28 -1.26 -0.64 120.64 125.87 2j97 n GLU 55 Ca -0.13 0.00 -0.09 0.00 -0.16 0.00 0.00 57.16 56.78 2j97 n GLU 55 Cb 0.48 -0.71 -0.09 0.00 1.43 0.00 0.00 31.44 32.56 2j97 n GLU 55 CO 0.00 0.00 0.00 -1.01 -0.16 0.00 0.00 177.13 175.96 2j97 s HIS 56 N -0.29 0.49 -0.43 -1.84 3.76 -1.04 -4.74 115.29 111.20 2j97 s HIS 56 Ca 0.44 -0.92 -0.25 0.00 -0.15 0.00 0.00 55.06 54.18 2j97 s HIS 56 Cb -0.62 -0.26 0.02 0.00 1.11 0.00 0.00 32.58 32.83 2j97 s HIS 56 CO 0.32 -0.53 0.87 0.16 -0.85 0.00 0.00 174.74 174.72 2j97 s ASP 57 N -2.95 6.51 0.00 1.40 -4.77 -1.26 -4.21 116.67 111.39 2j97 s ASP 57 Ca 0.13 0.15 0.00 0.00 -3.30 0.00 0.00 52.55 49.53 2j97 s ASP 57 Cb 0.06 -2.43 0.00 0.00 -1.09 0.00 0.00 42.92 39.46 2j97 s ASP 57 CO -0.05 -0.95 0.00 -1.54 0.70 0.00 0.00 175.17 173.32 2j97 n SER 58 N 6.91 0.00 0.00 2.11 3.41 -1.26 -5.12 113.62 119.67 2j97 n SER 58 Ca 0.05 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.66 2j97 n SER 58 Cb 0.48 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.43 2j97 n SER 58 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2j97 n GLY 59 N -0.15 0.88 3.72 5.00 0.00 -1.26 -5.14 105.19 108.24 2j97 n GLY 59 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 2j97 n GLY 59 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2j97 s VAL 60 N 1.12 4.73 -0.08 1.61 1.01 -1.26 -2.49 120.40 125.05 2j97 s VAL 60 Ca 0.00 2.01 0.01 0.00 0.00 0.00 0.00 61.98 64.01 2j97 s VAL 60 Cb 0.00 -4.30 -0.02 0.00 0.00 0.00 0.00 36.38 32.06 2j97 s VAL 60 CO 0.00 0.23 -0.11 -0.69 0.00 0.00 0.00 175.10 174.53 2j97 s VAL 61 N 0.56 3.32 -0.20 2.92 1.01 0.18 -4.94 120.40 123.25 2j97 s VAL 61 Ca 0.49 -0.61 -0.19 0.00 0.00 0.00 0.00 61.98 61.67 2j97 s VAL 61 Cb -0.22 -2.35 -0.03 0.00 0.00 0.00 0.00 36.38 33.79 2j97 s VAL 61 CO 0.28 0.57 0.56 -0.89 0.00 0.00 0.00 175.10 175.62 2j97 s THR 62 N -0.46 5.07 -0.18 3.92 2.01 -1.26 0.26 115.64 125.00 2j97 s THR 62 Ca 0.06 1.03 -0.01 0.00 0.31 0.00 0.00 61.69 63.08 2j97 s THR 62 Cb -0.12 -3.88 -0.00 0.00 0.01 0.00 0.00 72.50 68.51 2j97 s THR 62 CO 0.02 0.15 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.28 2j97 s VAL 63 N 1.78 2.81 0.29 3.82 1.01 -0.09 -4.95 120.40 125.07 2j97 s VAL 63 Ca 0.25 -0.70 -0.26 0.00 0.00 0.00 0.00 61.98 61.28 2j97 s VAL 63 Cb -0.16 -2.22 -0.09 0.00 0.00 0.00 0.00 36.38 33.91 2j97 s VAL 63 CO 0.10 0.49 0.91 -0.70 0.00 0.00 0.00 175.10 175.89 2j97 s GLU 64 N 1.12 4.57 0.02 2.72 2.12 -1.26 -1.05 118.70 126.93 2j97 s GLU 64 Ca 0.01 1.27 0.04 0.00 0.36 0.00 0.00 54.97 56.64 2j97 s GLU 64 Cb -0.14 -2.88 -0.04 0.00 0.26 0.00 0.00 34.13 31.33 2j97 s GLU 64 CO -0.04 0.33 -0.06 -0.51 -0.54 0.00 0.00 175.26 174.45 2j97 s LEU 65 N -1.92 3.22 0.58 2.70 1.43 -0.07 -1.31 118.68 123.32 2j97 s LEU 65 Ca 0.48 -0.16 -0.16 0.00 -1.03 0.00 0.00 54.13 53.26 2j97 s LEU 65 Cb -0.19 -1.87 -0.04 0.00 0.03 0.00 0.00 46.19 44.12 2j97 s LEU 65 CO 0.24 0.26 1.06 -1.61 0.23 0.00 0.00 176.35 176.53 2j97 s GLU 66 N -1.58 3.36 0.35 1.70 2.02 0.12 -4.84 118.70 119.82 2j97 s GLU 66 Ca 0.18 1.22 -0.27 0.00 0.02 0.00 0.00 54.97 56.12 2j97 s GLU 66 Cb -0.11 -2.04 -0.12 0.00 0.10 0.00 0.00 34.13 31.96 2j97 s GLU 66 CO 0.09 -0.78 1.17 -2.30 0.02 0.00 0.00 175.26 173.47 2j97 n PRO 67 N -1.93 1.79 -2.08 0.39 -0.02 -1.26 -4.41 135.00 127.48 2j97 n PRO 67 Ca 0.09 0.63 -0.32 0.00 -2.02 0.00 0.00 63.50 61.88 2j97 n PRO 67 Cb 0.53 -2.16 -0.00 0.00 -0.02 0.00 0.00 33.50 31.84 2j97 n PRO 67 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2j97 s PRO 68 N -1.85 3.63 -0.44 0.52 0.04 -1.26 -4.80 135.00 130.84 2j97 s PRO 68 Ca 0.58 0.92 -0.19 0.00 0.04 0.00 0.00 61.00 62.35 2j97 s PRO 68 Cb -0.59 -2.09 0.03 0.00 0.04 0.00 0.00 34.50 31.89 2j97 s PRO 68 CO 0.60 -0.54 0.56 0.00 0.04 0.00 0.00 177.00 177.67 2j97 s ARG 70 N 2.54 4.62 -0.14 0.00 1.70 -1.26 -0.73 118.95 125.69 2j97 s ARG 70 Ca 0.18 1.26 -0.12 0.00 -0.47 0.00 0.00 55.73 56.58 2j97 s ARG 70 Cb -0.16 -3.34 0.04 0.00 -0.57 0.00 0.00 34.95 30.92 2j97 s ARG 70 CO 0.16 0.35 0.36 -0.59 -1.08 0.00 0.00 175.30 174.50 2j97 s PHE 71 N -0.40 -0.41 0.16 5.89 -0.12 -0.22 -4.98 117.98 117.90 2j97 s PHE 71 Ca 0.41 0.99 -0.26 0.00 -0.05 0.00 0.00 56.93 58.02 2j97 s PHE 71 Cb -0.23 0.14 -0.08 0.00 -0.63 0.00 0.00 43.02 42.23 2j97 s PHE 71 CO 0.27 -0.20 0.79 0.08 -0.05 0.00 0.00 175.22 176.11 2j97 s VAL 72 N 0.28 4.37 0.10 -2.49 1.01 -1.26 -0.53 120.40 121.87 2j97 s VAL 72 Ca -0.01 1.74 0.09 0.00 0.00 0.00 0.00 61.98 63.81 2j97 s VAL 72 Cb -0.03 -4.16 -0.03 0.00 0.00 0.00 0.00 36.38 32.16 2j97 s VAL 72 CO -0.00 0.50 -0.23 0.27 0.00 0.00 0.00 175.10 175.64 2j97 s ILE 73 N -1.04 1.92 0.38 2.22 -4.36 -0.39 -4.96 121.20 114.97 2j97 s ILE 73 Ca 0.37 -1.55 -0.25 0.00 -0.26 0.00 0.00 60.65 58.96 2j97 s ILE 73 Cb -0.23 -1.71 -0.09 0.00 1.25 0.00 0.00 42.46 41.68 2j97 s ILE 73 CO 0.27 0.07 1.10 -1.81 0.24 0.00 0.00 174.94 174.80 2j97 s ASP 74 N -1.78 6.76 0.15 4.36 1.01 -1.26 -0.73 116.67 125.18 2j97 s ASP 74 Ca 0.09 2.19 -0.03 0.00 0.71 0.00 0.00 52.55 55.51 2j97 s ASP 74 Cb -0.10 -2.60 -0.03 0.00 1.01 0.00 0.00 42.92 41.20 2j97 s ASP 74 CO 0.04 -0.50 0.13 0.42 0.21 0.00 0.00 175.17 175.47 2j97 s THR 75 N -1.48 0.08 0.60 -1.27 -4.23 -0.99 -4.88 115.64 103.47 2j97 s THR 75 Ca 0.55 -1.79 0.31 0.00 -1.18 0.00 0.00 61.69 59.58 2j97 s THR 75 Cb -0.27 -2.05 0.37 0.00 1.34 0.00 0.00 72.50 71.88 2j97 s THR 75 CO 0.34 -0.36 2.26 -0.65 -0.54 0.00 0.00 174.62 175.66 2j97 h PRO 76 N 2.75 0.00 -0.19 3.99 0.11 -2.00 -0.03 132.00 136.64 2j97 h PRO 76 Ca -0.34 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.77 2j97 h PRO 76 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2j97 h PRO 76 CO 0.55 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.59 2j97 n THR 77 N -3.75 0.23 0.00 -1.15 -2.24 -1.26 -5.07 114.28 101.05 2j97 n THR 77 Ca -0.03 -0.43 0.00 0.00 -2.27 0.00 0.00 64.05 61.32 2j97 n THR 77 Cb 0.10 0.60 0.00 0.00 -2.10 0.00 0.00 70.33 68.93 2j97 n THR 77 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2j97 n GLY 78 N 1.23 -0.26 3.77 3.38 0.00 -0.03 -5.03 105.19 108.25 2j97 n GLY 78 Ca 0.17 -2.28 -0.39 0.00 0.00 0.00 0.00 46.02 43.52 2j97 n GLY 78 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2j97 s PRO 79 N -0.76 3.92 -0.02 1.61 0.04 -1.26 -2.35 135.00 136.18 2j97 s PRO 79 Ca 0.00 2.16 0.04 0.00 0.04 0.00 0.00 61.00 63.23 2j97 s PRO 79 Cb 0.00 -2.72 -0.01 0.00 0.04 0.00 0.00 34.50 31.81 2j97 s PRO 79 CO 0.00 -0.53 -0.13 -0.65 0.04 0.00 0.00 177.00 175.73 2j97 s GLN 80 N -2.29 1.17 -0.16 4.56 -0.21 0.09 -4.91 119.66 117.92 2j97 s GLN 80 Ca 0.58 -0.45 -0.19 0.00 0.02 0.00 0.00 55.36 55.32 2j97 s GLN 80 Cb -0.38 -1.10 -0.04 0.00 1.00 0.00 0.00 33.01 32.50 2j97 s GLN 80 CO 0.49 0.23 0.51 0.42 -2.12 0.00 0.00 175.29 174.82 2j97 s ILE 81 N -0.10 5.14 0.24 1.08 1.01 -1.26 -1.27 121.20 126.04 2j97 s ILE 81 Ca 0.01 0.99 0.08 0.00 0.00 0.00 0.00 60.65 61.73 2j97 s ILE 81 Cb -0.07 -3.84 -0.04 0.00 0.01 0.00 0.00 42.46 38.51 2j97 s ILE 81 CO 0.00 0.25 0.07 -0.54 0.00 0.00 0.00 174.94 174.71 2j97 s LYS 82 N 1.14 2.54 -0.14 2.79 -0.14 0.31 -4.76 119.74 121.47 2j97 s LYS 82 Ca 0.26 -1.23 0.00 0.00 -1.36 0.00 0.00 55.97 53.64 2j97 s LYS 82 Cb -0.15 -2.34 0.02 0.00 -1.68 0.00 0.00 37.83 33.68 2j97 s LYS 82 CO 0.10 0.40 -0.11 0.71 -0.76 0.00 0.00 175.35 175.69 2j97 s TYR 83 N -2.14 1.89 -0.25 3.18 1.51 -0.27 -1.05 117.35 120.23 2j97 s TYR 83 Ca 0.31 -1.04 -0.10 0.00 -1.01 0.00 0.00 57.07 55.23 2j97 s TYR 83 Cb -0.08 -1.45 -0.05 0.00 -0.11 0.00 0.00 41.96 40.28 2j97 s TYR 83 CO 0.21 -0.61 0.15 -1.17 -1.11 0.00 0.00 175.55 173.02 2j97 s LEU 84 N 1.58 4.02 -0.20 -1.29 2.96 0.10 -1.48 118.68 124.36 2j97 s LEU 84 Ca 0.05 0.06 -0.01 0.00 -0.22 0.00 0.00 54.13 54.00 2j97 s LEU 84 Cb -0.13 -2.08 0.01 0.00 0.50 0.00 0.00 46.19 44.48 2j97 s LEU 84 CO -0.10 0.04 -0.13 -0.31 -1.32 0.00 0.00 176.35 174.54 2j97 s TYR 85 N 1.21 2.86 0.32 5.38 1.51 0.79 -0.54 117.35 128.87 2j97 s TYR 85 Ca 0.07 -1.27 -0.18 0.00 -1.01 0.00 0.00 57.07 54.68 2j97 s TYR 85 Cb -0.14 -2.00 -0.09 0.00 -0.11 0.00 0.00 41.96 39.62 2j97 s TYR 85 CO 0.06 -0.66 0.79 -0.06 -1.11 0.00 0.00 175.55 174.57 2j97 s PHE 86 N 1.32 3.45 0.56 2.71 0.40 -1.26 -0.77 117.98 124.40 2j97 s PHE 86 Ca 0.04 1.38 -0.18 0.00 -0.60 0.00 0.00 56.93 57.57 2j97 s PHE 86 Cb -0.14 -2.64 -0.05 0.00 0.51 0.00 0.00 43.02 40.70 2j97 s PHE 86 CO -0.07 0.12 1.07 0.14 0.70 0.00 0.00 175.22 177.18 2j97 s VAL 87 N -1.88 3.59 0.17 -0.44 -7.23 -0.70 -0.70 120.40 113.20 2j97 s VAL 87 Ca 0.53 0.86 -0.34 0.00 -1.81 0.00 0.00 61.98 61.22 2j97 s VAL 87 Cb -0.12 -3.34 -0.15 0.00 0.56 0.00 0.00 36.38 33.33 2j97 s VAL 87 CO 0.18 -0.34 1.34 1.17 -0.31 0.00 0.00 175.10 177.14 2j97 n LYS 88 N -1.66 1.56 -1.13 4.82 4.81 -0.43 -2.37 118.16 123.75 2j97 n LYS 88 Ca 0.10 0.56 -0.05 0.00 -0.87 0.00 0.00 58.31 58.05 2j97 n LYS 88 Cb 0.52 -2.18 -0.02 0.00 0.02 0.00 0.00 35.03 33.37 2j97 n LYS 88 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 2j97 n ASN 89 N 2.42 -4.40 -4.77 3.14 5.03 -1.26 -4.98 115.26 110.45 2j97 n ASN 89 Ca 0.15 0.11 -0.40 0.00 0.87 0.00 0.00 54.58 55.31 2j97 n ASN 89 Cb 0.26 -2.30 -0.00 0.00 -1.02 0.00 0.00 39.78 36.71 2j97 n ASN 89 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.26 175.21 2j97 s LEU 90 N -1.05 4.30 0.67 3.41 2.96 -1.00 -4.99 118.68 122.97 2j97 s LEU 90 Ca 0.00 2.86 -0.04 0.00 -0.22 0.00 0.00 54.13 56.73 2j97 s LEU 90 Cb 0.00 -3.75 0.06 0.00 0.50 0.00 0.00 46.19 43.00 2j97 s LEU 90 CO 0.00 -0.83 0.95 0.54 -1.32 0.00 0.00 176.35 175.69 2j97 s ASN 91 N -0.40 4.89 0.32 3.68 2.20 -1.26 -4.85 114.94 119.51 2j97 s ASN 91 Ca 0.54 0.27 0.10 0.00 -0.94 0.00 0.00 52.86 52.83 2j97 s ASN 91 Cb -0.43 -0.96 0.53 0.00 -2.00 0.00 0.00 41.25 38.39 2j97 s ASN 91 CO 0.57 -1.50 1.72 0.78 -2.94 0.00 0.00 177.10 175.73 2j97 h ASN 92 N -0.42 0.07 -0.47 3.54 2.35 -1.98 0.19 115.58 118.86 2j97 h ASN 92 Ca -0.43 -0.03 0.01 0.00 -0.55 0.00 0.00 56.30 55.29 2j97 h ASN 92 Cb 1.31 -0.02 -0.02 0.00 0.05 0.00 0.00 38.32 39.63 2j97 h ASN 92 CO 0.56 0.53 0.31 0.25 -1.65 0.00 0.00 177.43 177.43 2j97 h LEU 93 N 0.06 0.52 0.14 1.61 5.85 -1.99 0.09 115.31 121.58 2j97 h LEU 93 Ca 0.00 -0.01 -0.30 0.00 0.84 0.00 0.00 57.88 58.41 2j97 h LEU 93 Cb 0.84 -0.13 0.03 0.00 0.37 0.00 0.00 40.66 41.77 2j97 h LEU 93 CO 0.06 0.38 -1.29 0.03 -0.34 0.00 0.00 178.44 177.29 2j97 h ARG 94 N 0.62 0.58 -0.73 1.25 3.08 -1.88 -1.97 114.38 115.33 2j97 h ARG 94 Ca 0.18 -0.82 0.12 0.00 0.07 0.00 0.00 59.98 59.53 2j97 h ARG 94 Cb -0.06 0.28 -0.08 0.00 0.08 0.00 0.00 29.97 30.19 2j97 h ARG 94 CO -0.05 1.38 0.32 0.00 -1.07 0.00 0.00 179.97 180.55 2j97 h ARG 95 N 0.24 0.49 -0.50 0.04 3.08 -0.84 -0.92 114.38 115.98 2j97 h ARG 95 Ca -0.20 -0.03 -0.11 0.00 0.07 0.00 0.00 59.98 59.72 2j97 h ARG 95 Cb 1.96 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 31.88 2j97 h ARG 95 CO 0.24 0.33 -0.11 0.78 -1.07 0.00 0.00 179.97 180.14 2j97 h GLY 96 N 0.51 1.00 1.03 0.04 0.00 -0.86 -1.58 103.07 103.21 2j97 h GLY 96 Ca 0.39 -0.79 -0.03 0.00 0.00 0.00 0.00 47.33 46.89 2j97 h GLY 96 CO -0.34 0.72 0.35 0.00 0.00 0.00 0.00 176.54 177.27 2j97 h ALA 97 N 1.04 1.00 -0.03 3.60 0.00 -0.95 -0.90 119.26 123.01 2j97 h ALA 97 Ca 0.13 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 2j97 h ALA 97 Cb 0.65 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 2j97 h ALA 97 CO 0.05 0.58 0.01 0.28 0.00 0.00 0.00 179.25 180.17 2j97 h VAL 98 N 1.10 1.14 -0.76 0.00 2.07 -0.92 -0.73 116.25 118.14 2j97 h VAL 98 Ca 0.26 -0.41 0.04 0.00 0.82 0.00 0.00 66.70 67.41 2j97 h VAL 98 Cb 0.15 1.36 -0.05 0.00 -1.52 0.00 0.00 31.29 31.23 2j97 h VAL 98 CO -0.03 0.11 0.48 -0.07 0.02 0.00 0.00 177.57 178.08 2j97 h LEU 99 N -0.12 0.77 -0.61 2.57 3.38 -1.10 -0.94 115.31 119.26 2j97 h LEU 99 Ca 0.01 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 2j97 h LEU 99 Cb 0.17 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 2j97 h LEU 99 CO -0.00 0.52 0.33 1.23 0.09 0.00 0.00 178.44 180.61 2j97 h GLY 100 N 0.92 0.92 0.94 0.83 0.00 -1.05 0.29 103.07 105.92 2j97 h GLY 100 Ca 0.31 -0.42 -0.03 0.00 0.00 0.00 0.00 47.33 47.19 2j97 h GLY 100 CO -0.13 0.41 0.15 -1.82 0.00 0.00 0.00 176.54 175.15 2j97 h TYR 101 N 0.83 0.62 -0.58 5.60 3.20 -0.70 -0.18 116.97 125.77 2j97 h TYR 101 Ca 0.22 -0.05 -0.07 0.00 3.14 0.00 0.00 58.73 61.97 2j97 h TYR 101 Cb 0.06 -0.19 -0.02 0.00 1.54 0.00 0.00 36.73 38.12 2j97 h TYR 101 CO -0.01 0.56 0.11 0.82 -1.64 0.00 0.00 178.16 178.00 2j97 h ILE 102 N 0.51 1.26 -0.65 1.81 2.04 -1.08 -1.61 117.51 119.77 2j97 h ILE 102 Ca 0.13 -0.96 0.06 0.00 1.00 0.00 0.00 64.86 65.09 2j97 h ILE 102 Cb 0.20 0.75 -0.05 0.00 -0.74 0.00 0.00 36.82 36.99 2j97 h ILE 102 CO -0.01 0.35 0.37 1.23 0.00 0.00 0.00 178.15 180.09 2j97 h GLY 103 N 0.86 0.96 1.49 5.37 0.00 -0.69 0.10 103.07 111.15 2j97 h GLY 103 Ca 0.18 -0.26 -0.06 0.00 0.00 0.00 0.00 47.33 47.19 2j97 h GLY 103 CO 0.01 0.16 -0.01 0.00 0.00 0.00 0.00 176.54 176.70 2j97 h ALA 104 N 1.34 1.25 0.00 3.60 0.00 -0.55 -1.77 119.26 123.13 2j97 h ALA 104 Ca 0.29 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 2j97 h ALA 104 Cb 0.17 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.80 2j97 h ALA 104 CO -0.17 0.50 -0.18 1.15 0.00 0.00 0.00 179.25 180.54 2j97 h THR 105 N 0.60 1.58 -0.97 0.00 2.02 -0.84 -3.35 112.91 111.95 2j97 h THR 105 Ca 0.12 -1.95 0.02 0.00 0.77 0.00 0.00 66.41 65.37 2j97 h THR 105 Cb 0.39 2.83 -0.05 0.00 -1.74 0.00 0.00 68.15 69.58 2j97 h THR 105 CO 0.02 0.52 0.64 0.58 0.37 0.00 0.00 175.52 177.65 2j97 h VAL 106 N -0.59 1.22 0.00 3.16 2.07 -0.68 -2.55 116.25 118.88 2j97 h VAL 106 Ca -0.02 -0.44 -0.00 0.00 0.82 0.00 0.00 66.70 67.05 2j97 h VAL 106 Cb 0.96 -0.18 -0.00 0.00 -1.52 0.00 0.00 31.29 30.55 2j97 h VAL 106 CO 0.04 0.24 -0.00 0.08 0.02 0.00 0.00 177.57 177.94 2j97 h ARG 107 N 1.29 0.00 0.00 1.57 0.11 -1.45 -2.35 114.38 113.55 2j97 h ARG 107 Ca 0.37 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.45 2j97 h ARG 107 Cb -0.10 0.00 0.00 0.00 1.11 0.00 0.00 29.97 30.98 2j97 h ARG 107 CO -0.09 0.00 -0.47 1.28 0.10 0.00 0.00 179.97 180.79 2j97 n LEU 108 N -3.11 0.69 -0.23 0.08 4.77 -0.96 -5.13 117.00 113.11 2j97 n LEU 108 Ca -0.02 0.30 0.03 0.00 -0.03 0.00 0.00 56.01 56.28 2j97 n LEU 108 Cb 0.11 -0.22 0.02 0.00 -2.33 0.00 0.00 43.42 41.00 2j97 n LEU 108 CO 0.22 -0.07 0.34 0.00 -1.33 0.00 0.00 177.39 176.55