#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2j02 s VAL 2 N 0.00 3.77 0.16 3.17 0.11 -1.26 -1.60 120.40 124.75 2j02 s VAL 2 Ca 0.00 1.51 0.02 0.00 -2.93 0.00 0.00 61.98 60.58 2j02 s VAL 2 Cb 0.00 -3.85 -0.05 0.00 -1.53 0.00 0.00 36.38 30.95 2j02 s VAL 2 CO 0.00 0.16 -0.01 -0.54 -3.33 0.00 0.00 175.10 171.38 2j02 s LYS 3 N -2.06 1.08 -0.27 1.54 1.02 -0.18 -3.78 119.74 117.09 2j02 s LYS 3 Ca 0.52 -1.51 0.02 0.00 0.02 0.00 0.00 55.97 55.01 2j02 s LYS 3 Cb -0.24 -0.25 0.06 0.00 -0.52 0.00 0.00 37.83 36.87 2j02 s LYS 3 CO 0.31 -0.12 -0.08 0.42 -0.92 0.00 0.00 175.35 174.96 2j02 s ILE 4 N -3.66 2.40 0.35 2.17 1.09 -1.22 -1.62 121.20 120.70 2j02 s ILE 4 Ca 0.23 -1.56 -0.01 0.00 -1.10 0.00 0.00 60.65 58.21 2j02 s ILE 4 Cb 0.06 -2.40 -0.00 0.00 -1.06 0.00 0.00 42.46 39.06 2j02 s ILE 4 CO 0.03 -0.04 0.45 0.00 -0.10 0.00 0.00 174.94 175.28 2j02 s ARG 5 N 1.15 1.91 0.18 2.79 1.70 0.20 -1.15 118.95 125.73 2j02 s ARG 5 Ca -0.08 -1.81 -0.02 0.00 -0.47 0.00 0.00 55.73 53.35 2j02 s ARG 5 Cb -0.20 0.43 -0.05 0.00 -0.57 0.00 0.00 34.95 34.56 2j02 s ARG 5 CO -0.04 -0.78 0.39 -0.51 -1.08 0.00 0.00 175.30 173.28 2j02 s LEU 6 N -3.26 4.23 -0.10 -1.89 1.02 -1.26 0.06 118.68 117.48 2j02 s LEU 6 Ca 0.32 0.49 -0.01 0.00 0.02 0.00 0.00 54.13 54.94 2j02 s LEU 6 Cb -0.00 -3.24 0.03 0.00 0.02 0.00 0.00 46.19 43.00 2j02 s LEU 6 CO 0.22 -0.01 -0.02 0.00 0.02 0.00 0.00 176.35 176.55 2j02 s ALA 7 N -1.80 0.97 0.75 4.21 0.00 -1.08 -4.86 121.76 119.96 2j02 s ALA 7 Ca 0.40 -0.35 -0.15 0.00 0.00 0.00 0.00 51.96 51.86 2j02 s ALA 7 Cb -0.11 -0.85 0.05 0.00 0.00 0.00 0.00 23.12 22.20 2j02 s ALA 7 CO 0.27 -0.52 1.22 -2.13 0.00 0.00 0.00 175.76 174.61 2j02 n ARG 8 N 5.06 0.52 0.00 0.00 0.63 -1.26 -1.49 116.66 120.12 2j02 n ARG 8 Ca -0.09 0.25 0.00 0.00 -0.92 0.00 0.00 57.85 57.08 2j02 n ARG 8 Cb 0.50 -2.46 0.00 0.00 0.45 0.00 0.00 32.46 30.95 2j02 n ARG 8 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 2j02 n PHE 9 N -2.79 0.00 -4.71 -0.14 3.72 -0.90 -4.88 117.46 107.76 2j02 n PHE 9 Ca 0.14 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.54 2j02 n PHE 9 Cb 0.50 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.04 2j02 n PHE 9 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2j02 n GLY 10 N 0.00 1.00 0.00 1.37 0.00 -1.26 -4.05 105.19 102.25 2j02 n GLY 10 Ca 0.00 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.36 2j02 n GLY 10 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2j02 n SER 11 N -3.06 1.19 -4.83 1.61 7.64 -1.19 -5.00 113.62 109.99 2j02 n SER 11 Ca 0.00 -0.51 -0.32 0.00 1.01 0.00 0.00 58.87 59.05 2j02 n SER 11 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 2j02 n SER 11 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 2j02 s LYS 12 N -0.15 3.50 -1.08 1.43 2.20 -1.26 -3.36 119.74 121.01 2j02 s LYS 12 Ca 0.00 1.01 -0.11 0.00 -0.36 0.00 0.00 55.97 56.51 2j02 s LYS 12 Cb 0.00 -2.07 0.10 0.00 -1.51 0.00 0.00 37.83 34.36 2j02 s LYS 12 CO 0.00 -0.65 0.36 0.72 -0.36 0.00 0.00 175.35 175.42 2j02 n HIS 13 N -2.18 -1.65 -2.72 4.03 8.25 -1.26 -4.77 115.22 114.92 2j02 n HIS 13 Ca 0.07 0.39 -0.07 0.00 -0.26 0.00 0.00 57.72 57.85 2j02 n HIS 13 Cb 0.53 -2.03 0.06 0.00 1.12 0.00 0.00 29.99 29.68 2j02 n HIS 13 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 2j02 n ASN 14 N -2.09 -2.38 -4.55 0.41 5.15 -1.22 -5.15 115.26 105.43 2j02 n ASN 14 Ca 0.03 -2.91 -0.30 0.00 -0.60 0.00 0.00 54.58 50.80 2j02 n ASN 14 Cb 0.50 1.54 0.20 0.00 -0.53 0.00 0.00 39.78 41.49 2j02 n ASN 14 CO 0.00 0.00 0.00 -2.65 1.40 0.00 0.00 177.26 176.01 2j02 n PRO 15 N 1.44 -1.26 -2.84 1.20 -0.02 -1.26 -3.14 135.00 129.12 2j02 n PRO 15 Ca 0.06 -0.32 0.02 0.00 -2.02 0.00 0.00 63.50 61.24 2j02 n PRO 15 Cb 0.66 -2.21 0.00 0.00 -0.02 0.00 0.00 33.50 31.93 2j02 n PRO 15 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 2j02 s HIS 16 N -2.51 -0.60 0.98 6.00 3.76 -1.26 -4.75 115.29 116.91 2j02 s HIS 16 Ca 0.66 0.08 -0.16 0.00 -0.15 0.00 0.00 55.06 55.50 2j02 s HIS 16 Cb -0.23 0.11 0.19 0.00 1.11 0.00 0.00 32.58 33.76 2j02 s HIS 16 CO 0.62 -0.41 1.24 0.71 -0.85 0.00 0.00 174.74 176.06 2j02 s TYR 17 N 1.93 1.71 -0.23 1.40 1.51 -0.33 -2.12 117.35 121.22 2j02 s TYR 17 Ca 0.15 0.47 -0.04 0.00 -1.01 0.00 0.00 57.07 56.64 2j02 s TYR 17 Cb 0.02 -3.83 0.08 0.00 -0.11 0.00 0.00 41.96 38.12 2j02 s TYR 17 CO -0.13 -2.71 0.12 0.50 -1.11 0.00 0.00 175.55 172.22 2j02 s ARG 18 N -5.69 0.13 -0.35 -0.62 3.52 -0.55 -2.88 118.95 112.50 2j02 s ARG 18 Ca 0.71 -0.26 -0.30 0.00 -0.13 0.00 0.00 55.73 55.75 2j02 s ARG 18 Cb -0.07 -1.48 -0.08 0.00 -1.56 0.00 0.00 34.95 31.76 2j02 s ARG 18 CO 0.53 -0.83 2.28 -0.89 -0.81 0.00 0.00 175.30 175.58 2j02 n ILE 19 N 5.27 0.19 -4.08 4.11 2.08 0.14 -2.62 119.36 124.45 2j02 n ILE 19 Ca -0.06 -0.45 -0.10 0.00 0.56 0.00 0.00 62.75 62.69 2j02 n ILE 19 Cb 0.46 -2.25 -0.09 0.00 -0.75 0.00 0.00 39.64 37.01 2j02 n ILE 19 CO 0.00 0.00 0.00 0.54 0.56 0.00 0.00 176.55 177.65 2j02 s VAL 20 N 8.91 0.08 -0.20 1.39 0.11 0.11 -0.97 120.40 129.83 2j02 s VAL 20 Ca 1.05 -1.72 0.00 0.00 -2.93 0.00 0.00 61.98 58.37 2j02 s VAL 20 Cb -0.50 -2.01 0.02 0.00 -1.53 0.00 0.00 36.38 32.36 2j02 s VAL 20 CO 0.38 -0.36 -0.15 0.68 -3.33 0.00 0.00 175.10 172.32 2j02 s VAL 21 N -4.03 2.35 0.27 2.04 -7.23 -0.52 0.62 120.40 113.90 2j02 s VAL 21 Ca 0.23 -0.96 0.03 0.00 -1.81 0.00 0.00 61.98 59.47 2j02 s VAL 21 Cb 0.06 -2.07 -0.04 0.00 0.56 0.00 0.00 36.38 34.90 2j02 s VAL 21 CO 0.02 0.43 0.19 0.42 -0.31 0.00 0.00 175.10 175.85 2j02 s THR 22 N 1.30 0.04 0.21 5.32 -4.23 -0.64 0.27 115.64 117.91 2j02 s THR 22 Ca 0.03 -2.00 -0.30 0.00 -1.18 0.00 0.00 61.69 58.24 2j02 s THR 22 Cb -0.14 -2.50 -0.08 0.00 1.34 0.00 0.00 72.50 71.11 2j02 s THR 22 CO -0.10 0.00 0.99 -0.62 -0.54 0.00 0.00 174.62 174.35 2j02 s ASP 23 N -3.27 7.50 0.22 3.99 -1.08 -1.26 -1.01 116.67 121.76 2j02 s ASP 23 Ca 0.39 1.98 -0.16 0.00 -0.52 0.00 0.00 52.55 54.24 2j02 s ASP 23 Cb 0.05 -2.61 0.24 0.00 -1.46 0.00 0.00 42.92 39.14 2j02 s ASP 23 CO 0.19 0.01 1.57 0.00 0.52 0.00 0.00 175.17 177.46 2j02 h ALA 24 N 4.58 0.22 -1.01 3.66 0.00 -1.63 -1.73 119.26 123.34 2j02 h ALA 24 Ca -0.45 0.26 0.24 0.00 0.00 0.00 0.00 54.91 54.96 2j02 h ALA 24 Cb 1.21 0.82 -0.12 0.00 0.00 0.00 0.00 17.79 19.70 2j02 h ALA 24 CO 0.69 -0.57 0.61 0.00 0.00 0.00 0.00 179.25 179.98 2j02 h ARG 25 N -0.06 0.57 -6.89 0.00 3.08 -1.91 -3.42 114.38 105.75 2j02 h ARG 25 Ca 0.33 -0.03 -0.55 0.00 0.07 0.00 0.00 59.98 59.80 2j02 h ARG 25 Cb 0.59 -0.13 0.19 0.00 0.08 0.00 0.00 29.97 30.70 2j02 h ARG 25 CO -0.85 0.38 -0.13 0.54 -1.07 0.00 0.00 179.97 178.84 2j02 n ARG 26 N -4.84 0.21 -1.13 0.04 1.74 -0.65 -4.94 116.66 107.08 2j02 n ARG 26 Ca 0.26 0.13 -0.29 0.00 -0.77 0.00 0.00 57.85 57.18 2j02 n ARG 26 Cb 0.74 -2.08 0.21 0.00 -1.02 0.00 0.00 32.46 30.30 2j02 n ARG 26 CO 0.00 0.00 0.00 -1.59 -1.52 0.00 0.00 177.63 174.52 2j02 s LYS 27 N -3.40 -0.33 0.00 5.56 0.00 -1.26 -4.88 119.74 115.42 2j02 s LYS 27 Ca 0.68 0.24 0.00 0.00 0.00 0.00 0.00 55.97 56.89 2j02 s LYS 27 Cb -0.31 -1.67 0.00 0.00 0.00 0.00 0.00 37.83 35.85 2j02 s LYS 27 CO 0.56 -3.18 0.70 -2.13 0.00 0.00 0.00 175.35 171.30 2j02 n ARG 28 N -4.44 0.00 0.00 1.78 0.63 -1.26 -1.81 116.66 111.56 2j02 n ARG 28 Ca 0.08 0.43 0.00 0.00 -0.92 0.00 0.00 57.85 57.44 2j02 n ARG 28 Cb 0.58 -1.20 0.00 0.00 0.45 0.00 0.00 32.46 32.29 2j02 n ARG 28 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 2j02 n ASP 29 N -1.42 1.02 -3.78 6.15 10.43 -1.26 -4.81 116.55 122.88 2j02 n ASP 29 Ca 0.00 -1.57 0.00 0.00 2.57 0.00 0.00 54.79 55.79 2j02 n ASP 29 Cb 0.00 -0.39 0.00 0.00 1.84 0.00 0.00 41.12 42.57 2j02 n ASP 29 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2j02 n GLY 30 N 0.18 -2.62 3.58 0.44 0.00 -0.75 -4.95 105.19 101.07 2j02 n GLY 30 Ca 0.00 -1.22 -0.40 0.00 0.00 0.00 0.00 46.02 44.40 2j02 n GLY 30 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2j02 s LYS 31 N 0.00 3.84 0.73 1.61 2.20 -1.26 -4.99 119.74 121.87 2j02 s LYS 31 Ca 0.00 -0.07 -0.11 0.00 -0.36 0.00 0.00 55.97 55.42 2j02 s LYS 31 Cb 0.00 -3.72 0.03 0.00 -1.51 0.00 0.00 37.83 32.63 2j02 s LYS 31 CO 0.00 -0.42 1.10 1.52 -0.36 0.00 0.00 175.35 177.19 2j02 s TYR 32 N 2.15 3.17 -0.10 4.03 1.13 -1.26 -4.81 117.35 121.66 2j02 s TYR 32 Ca 0.16 1.08 0.16 0.00 -1.41 0.00 0.00 57.07 57.05 2j02 s TYR 32 Cb -0.16 -3.09 -0.15 0.00 -1.10 0.00 0.00 41.96 37.46 2j02 s TYR 32 CO 0.11 -1.36 0.82 0.82 -2.51 0.00 0.00 175.55 173.43 2j02 h ILE 33 N -0.79 0.61 0.00 -3.49 1.08 -0.55 -3.48 117.51 110.89 2j02 h ILE 33 Ca -0.46 -2.19 0.00 0.00 -0.39 0.00 0.00 64.86 61.83 2j02 h ILE 33 Cb 1.26 2.15 0.00 0.00 -3.07 0.00 0.00 36.82 37.16 2j02 h ILE 33 CO 0.62 0.35 0.00 1.21 -0.69 0.00 0.00 178.15 179.64 2j02 n GLU 34 N -2.95 0.00 -2.51 2.37 2.13 -1.02 -5.01 120.64 113.65 2j02 n GLU 34 Ca -0.11 0.00 -0.30 0.00 0.66 0.00 0.00 57.16 57.41 2j02 n GLU 34 Cb 0.89 0.00 -0.02 0.00 0.27 0.00 0.00 31.44 32.58 2j02 n GLU 34 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 2j02 s LYS 35 N -0.45 3.74 0.00 5.31 2.20 -1.26 -1.44 119.74 127.84 2j02 s LYS 35 Ca 0.00 0.59 0.00 0.00 -0.36 0.00 0.00 55.97 56.20 2j02 s LYS 35 Cb 0.00 -2.27 0.00 0.00 -1.51 0.00 0.00 37.83 34.05 2j02 s LYS 35 CO 0.00 -0.23 0.00 0.44 -0.36 0.00 0.00 175.35 175.20 2j02 n ILE 36 N -1.83 0.00 0.00 5.43 -5.35 -0.14 -4.93 119.36 112.54 2j02 n ILE 36 Ca 0.04 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.52 2j02 n ILE 36 Cb 0.54 1.19 0.00 0.00 -1.74 0.00 0.00 39.64 39.64 2j02 n ILE 36 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2j02 n GLY 37 N 0.00 -0.35 3.09 3.28 0.00 -0.92 -0.45 105.19 109.85 2j02 n GLY 37 Ca 0.00 -1.13 -0.10 0.00 0.00 0.00 0.00 46.02 44.79 2j02 n GLY 37 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2j02 s TYR 38 N -2.00 0.64 -0.13 1.61 -0.85 -1.14 0.27 117.35 115.75 2j02 s TYR 38 Ca 0.00 -0.80 -0.07 0.00 -0.52 0.00 0.00 57.07 55.68 2j02 s TYR 38 Cb 0.00 -0.41 0.05 0.00 0.38 0.00 0.00 41.96 41.98 2j02 s TYR 38 CO 0.00 -0.20 0.32 -0.47 -1.52 0.00 0.00 175.55 173.68 2j02 s TYR 39 N -2.83 -0.43 -0.42 -3.49 5.04 -1.14 -2.83 117.35 111.24 2j02 s TYR 39 Ca 0.01 0.98 -0.02 0.00 -2.44 0.00 0.00 57.07 55.61 2j02 s TYR 39 Cb -0.00 0.14 0.11 0.00 0.35 0.00 0.00 41.96 42.56 2j02 s TYR 39 CO -0.04 -0.27 0.21 0.34 -1.34 0.00 0.00 175.55 174.45 2j02 s ASP 40 N 1.19 5.16 0.00 4.32 3.68 -0.62 -1.19 116.67 129.21 2j02 s ASP 40 Ca -0.08 -2.15 -0.02 0.00 2.13 0.00 0.00 52.55 52.42 2j02 s ASP 40 Cb -0.09 -1.80 -0.10 0.00 -1.45 0.00 0.00 42.92 39.48 2j02 s ASP 40 CO -0.09 -0.50 1.73 -0.81 0.13 0.00 0.00 175.17 175.63 2j02 n PRO 41 N 4.40 0.81 0.00 4.34 -0.04 -1.26 -1.73 135.00 141.53 2j02 n PRO 41 Ca -0.00 -0.38 0.00 0.00 -0.04 0.00 0.00 63.50 63.08 2j02 n PRO 41 Cb 0.41 -1.67 0.00 0.00 -0.04 0.00 0.00 33.50 32.20 2j02 n PRO 41 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2j02 n ARG 42 N 2.69 0.00 -4.07 0.54 1.74 -1.26 -5.04 116.66 111.25 2j02 n ARG 42 Ca 0.16 0.00 -0.36 0.00 -0.77 0.00 0.00 57.85 56.88 2j02 n ARG 42 Cb 0.37 0.00 -0.02 0.00 -1.02 0.00 0.00 32.46 31.79 2j02 n ARG 42 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2j02 n LYS 43 N 0.00 -1.11 0.21 5.56 4.01 -0.70 -4.82 118.16 121.31 2j02 n LYS 43 Ca 0.00 0.19 0.10 0.00 -0.51 0.00 0.00 58.31 58.09 2j02 n LYS 43 Cb 0.08 -3.41 0.31 0.00 -0.51 0.00 0.00 35.03 31.50 2j02 n LYS 43 CO 0.00 0.00 0.00 1.79 -1.11 0.00 0.00 177.40 178.08 2j02 h THR 44 N -2.15 0.36 -3.62 -0.18 1.35 -1.97 -3.43 112.91 103.27 2j02 h THR 44 Ca -0.68 -1.24 -0.67 0.00 -0.55 0.00 0.00 66.41 63.28 2j02 h THR 44 Cb 1.39 1.95 -0.17 0.00 -1.73 0.00 0.00 68.15 69.59 2j02 h THR 44 CO 0.59 0.18 -0.73 -0.89 -0.25 0.00 0.00 175.52 174.41 2j02 s THR 45 N -3.36 3.43 0.09 6.82 2.01 -1.26 -4.99 115.64 118.37 2j02 s THR 45 Ca 0.03 -1.07 0.32 0.00 0.31 0.00 0.00 61.69 61.29 2j02 s THR 45 Cb 0.08 -2.54 0.34 0.00 0.01 0.00 0.00 72.50 70.39 2j02 s THR 45 CO 0.66 0.24 1.98 1.55 -0.69 0.00 0.00 174.62 178.36 2j02 h PRO 46 N 4.04 0.00 -3.11 4.92 0.13 -2.01 -3.23 132.00 132.75 2j02 h PRO 46 Ca -0.48 0.00 -0.70 0.00 -0.87 0.00 0.00 66.00 63.95 2j02 h PRO 46 Cb 1.17 0.00 -0.36 0.00 0.13 0.00 0.00 31.00 31.94 2j02 h PRO 46 CO 0.53 0.00 -0.07 -0.25 -0.23 0.00 0.00 178.00 177.98 2j02 n ASP 47 N -2.73 4.38 0.02 1.44 8.00 -1.26 -4.84 116.55 121.55 2j02 n ASP 47 Ca -0.01 -3.21 -0.19 0.00 0.71 0.00 0.00 54.79 52.09 2j02 n ASP 47 Cb 0.16 -1.02 -0.14 0.00 -0.02 0.00 0.00 41.12 40.10 2j02 n ASP 47 CO 0.00 0.00 0.00 4.11 -0.39 0.00 0.00 177.20 180.92 2j02 h TRP 48 N 5.65 0.44 -2.31 1.24 5.08 -1.90 -3.47 115.95 120.67 2j02 h TRP 48 Ca 0.17 -0.32 -0.52 0.00 1.08 0.00 0.00 58.89 59.30 2j02 h TRP 48 Cb 0.76 -0.02 -0.06 0.00 -3.00 0.00 0.00 29.16 26.85 2j02 h TRP 48 CO 0.75 1.59 -0.54 -1.17 -1.28 0.00 0.00 178.44 177.79 2j02 s LEU 49 N -6.91 3.78 -0.30 0.11 2.96 -1.26 -1.59 118.68 115.46 2j02 s LEU 49 Ca -0.17 -0.24 -0.19 0.00 -0.22 0.00 0.00 54.13 53.30 2j02 s LEU 49 Cb 0.07 -2.33 0.20 0.00 0.50 0.00 0.00 46.19 44.63 2j02 s LEU 49 CO 0.80 -0.01 1.31 -0.75 -1.32 0.00 0.00 176.35 176.38 2j02 s LYS 50 N -3.67 0.07 -0.19 1.98 2.36 -1.13 -4.96 119.74 114.21 2j02 s LYS 50 Ca 0.32 0.11 -0.05 0.00 -2.55 0.00 0.00 55.97 53.80 2j02 s LYS 50 Cb -0.08 0.02 0.09 0.00 -1.05 0.00 0.00 37.83 36.81 2j02 s LYS 50 CO 0.24 -0.01 0.33 0.08 1.55 0.00 0.00 175.35 177.54 2j02 s VAL 51 N 0.68 -0.52 -0.25 4.02 1.01 -1.26 -2.89 120.40 121.19 2j02 s VAL 51 Ca -0.02 0.11 -0.29 0.00 0.00 0.00 0.00 61.98 61.78 2j02 s VAL 51 Cb -0.03 -0.63 -0.03 0.00 0.00 0.00 0.00 36.38 35.69 2j02 s VAL 51 CO -0.12 0.00 1.71 -0.62 0.00 0.00 0.00 175.10 176.07 2j02 s ASP 52 N 2.50 6.19 -0.05 3.32 3.68 0.40 -4.86 116.67 127.85 2j02 s ASP 52 Ca 0.04 1.56 -0.21 0.00 2.13 0.00 0.00 52.55 56.07 2j02 s ASP 52 Cb -0.13 -2.53 -0.16 0.00 -1.45 0.00 0.00 42.92 38.65 2j02 s ASP 52 CO -0.12 -1.42 0.87 -0.37 0.13 0.00 0.00 175.17 174.25 2j02 h VAL 53 N 6.38 0.88 -0.95 1.11 -1.51 -1.97 -2.20 116.25 117.99 2j02 h VAL 53 Ca -0.35 -1.17 0.25 0.00 -1.23 0.00 0.00 66.70 64.21 2j02 h VAL 53 Cb 1.16 1.48 -0.18 0.00 -2.13 0.00 0.00 31.29 31.63 2j02 h VAL 53 CO 1.01 0.23 -0.03 -0.62 -1.23 0.00 0.00 177.57 176.93 2j02 n GLU 54 N -4.91 -0.08 0.32 5.19 -0.58 -1.26 0.40 120.64 119.73 2j02 n GLU 54 Ca -0.08 1.43 -0.13 0.00 -0.42 0.00 0.00 57.16 57.97 2j02 n GLU 54 Cb 0.27 -2.25 -0.06 0.00 -0.57 0.00 0.00 31.44 28.82 2j02 n GLU 54 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2j02 h ARG 55 N 0.00 -0.82 -0.50 3.49 2.47 -1.97 -0.05 114.38 117.00 2j02 h ARG 55 Ca 0.55 0.06 0.14 0.00 -1.26 0.00 0.00 59.98 59.47 2j02 h ARG 55 Cb 1.09 0.19 -0.02 0.00 -1.65 0.00 0.00 29.97 29.58 2j02 h ARG 55 CO -0.91 -0.55 0.36 0.00 0.56 0.00 0.00 179.97 179.43 2j02 h ALA 56 N -1.33 2.46 -0.16 0.04 0.00 -0.02 0.23 119.26 120.49 2j02 h ALA 56 Ca -0.09 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 2j02 h ALA 56 Cb 0.65 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 2j02 h ALA 56 CO 0.14 -0.62 -0.01 0.00 0.00 0.00 0.00 179.25 178.77 2j02 h ARG 57 N 0.00 0.28 0.37 0.00 2.47 0.79 -3.08 114.38 115.21 2j02 h ARG 57 Ca 0.24 -0.09 -0.02 0.00 -1.26 0.00 0.00 59.98 58.85 2j02 h ARG 57 Cb 0.95 -0.02 -0.00 0.00 -1.65 0.00 0.00 29.97 29.25 2j02 h ARG 57 CO -0.00 0.52 -0.22 -0.92 0.56 0.00 0.00 179.97 179.90 2j02 h TYR 58 N 0.02 -0.60 0.00 3.04 5.03 0.14 -1.39 116.97 123.21 2j02 h TYR 58 Ca 0.04 -0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.35 2j02 h TYR 58 Cb 0.39 0.21 0.00 0.00 1.55 0.00 0.00 36.73 38.89 2j02 h TYR 58 CO 0.04 -0.34 0.72 -1.49 -1.32 0.00 0.00 178.16 175.77 2j02 h TRP 59 N -0.55 0.00 0.11 -3.82 -0.00 -1.32 1.52 115.95 111.89 2j02 h TRP 59 Ca -0.05 0.00 -0.37 0.00 -0.00 0.00 0.00 58.89 58.48 2j02 h TRP 59 Cb 0.44 0.00 -0.02 0.00 -0.00 0.00 0.00 29.16 29.58 2j02 h TRP 59 CO 0.02 0.00 -2.04 1.28 -0.00 0.00 0.00 178.44 177.70 2j02 n LEU 60 N -2.53 2.60 0.19 -4.49 4.77 -1.02 -3.42 117.00 113.10 2j02 n LEU 60 Ca -0.01 0.18 0.13 0.00 -0.03 0.00 0.00 56.01 56.28 2j02 n LEU 60 Cb 0.74 -1.04 0.67 0.00 -2.33 0.00 0.00 43.42 41.46 2j02 n LEU 60 CO 0.05 0.85 0.89 0.77 -1.33 0.00 0.00 177.39 178.61 2j02 h SER 61 N 0.06 0.00 -0.26 -1.43 4.64 0.33 0.54 113.55 117.42 2j02 h SER 61 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 2j02 h SER 61 Cb 2.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.11 2j02 h SER 61 CO 0.07 0.00 0.00 1.33 -0.87 0.00 0.00 176.83 177.36 2j02 n VAL 62 N -2.38 0.62 -0.56 0.95 0.24 -0.71 -5.06 118.33 111.43 2j02 n VAL 62 Ca -0.02 -0.81 0.00 0.00 -2.04 0.00 0.00 64.34 61.48 2j02 n VAL 62 Cb 0.08 0.80 0.00 0.00 -1.47 0.00 0.00 33.84 33.25 2j02 n VAL 62 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2j02 n GLY 63 N 0.73 -2.56 2.68 7.63 0.00 0.19 -5.07 105.19 108.79 2j02 n GLY 63 Ca 0.12 -0.78 -0.05 0.00 0.00 0.00 0.00 46.02 45.30 2j02 n GLY 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2j02 n ALA 64 N 0.53 -3.08 -1.72 4.61 0.00 -1.23 -4.79 120.51 114.83 2j02 n ALA 64 Ca 0.00 -0.54 -0.66 0.00 0.00 0.00 0.00 53.44 52.24 2j02 n ALA 64 Cb 0.00 -2.83 -0.10 0.00 0.00 0.00 0.00 19.45 16.52 2j02 n ALA 64 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2j02 n GLN 65 N 1.40 0.23 -3.42 0.00 1.13 -1.25 -3.92 117.38 111.55 2j02 n GLN 65 Ca 0.02 0.08 -0.29 0.00 -1.94 0.00 0.00 57.00 54.87 2j02 n GLN 65 Cb 0.70 -1.62 -0.04 0.00 0.11 0.00 0.00 30.24 29.39 2j02 n GLN 65 CO 0.00 0.00 0.00 -1.25 -1.44 0.00 0.00 177.06 174.37 2j02 s PRO 66 N 3.28 3.64 0.80 -1.09 0.04 -1.26 -3.42 135.00 136.98 2j02 s PRO 66 Ca 1.05 -0.02 -0.16 0.00 0.04 0.00 0.00 61.00 61.91 2j02 s PRO 66 Cb -1.41 -2.69 -0.05 0.00 0.04 0.00 0.00 34.50 30.39 2j02 s PRO 66 CO 0.78 0.27 0.24 2.41 0.04 0.00 0.00 177.00 180.75 2j02 n THR 67 N -0.72 0.93 0.15 1.26 -1.04 -0.30 -4.59 114.28 109.98 2j02 n THR 67 Ca -0.02 -0.37 -0.15 0.00 -2.04 0.00 0.00 64.05 61.47 2j02 n THR 67 Cb 0.53 -0.53 -0.07 0.00 -1.82 0.00 0.00 70.33 68.44 2j02 n THR 67 CO 0.00 0.00 0.00 0.44 -0.64 0.00 0.00 175.07 174.87 2j02 h ASP 68 N -0.71 -1.10 0.00 8.00 3.32 -1.96 0.23 116.42 124.20 2j02 h ASP 68 Ca -0.44 0.11 0.00 0.00 0.02 0.00 0.00 57.03 56.72 2j02 h ASP 68 Cb 1.34 0.40 0.00 0.00 0.22 0.00 0.00 39.33 41.29 2j02 h ASP 68 CO 0.38 -0.48 0.00 1.07 -1.72 0.00 0.00 179.24 178.48 2j02 n THR 69 N -5.46 0.00 -0.03 0.35 5.66 -1.26 -0.60 114.28 112.94 2j02 n THR 69 Ca -0.08 0.00 -0.07 0.00 -3.05 0.00 0.00 64.05 60.85 2j02 n THR 69 Cb 0.37 -0.70 -0.13 0.00 -1.55 0.00 0.00 70.33 68.31 2j02 n THR 69 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2j02 n ALA 70 N -0.95 1.62 0.13 1.79 0.00 0.60 -3.79 120.51 119.91 2j02 n ALA 70 Ca 0.11 -0.83 -0.13 0.00 0.00 0.00 0.00 53.44 52.59 2j02 n ALA 70 Cb 0.05 -0.74 -0.08 0.00 0.00 0.00 0.00 19.45 18.68 2j02 n ALA 70 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 2j02 h ARG 71 N 0.00 -0.33 0.00 0.00 2.43 0.11 -2.46 114.38 114.14 2j02 h ARG 71 Ca -0.31 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.89 2j02 h ARG 71 Cb 1.95 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 31.57 2j02 h ARG 71 CO 0.06 0.00 0.00 -2.13 -1.51 0.00 0.00 179.97 176.40 2j02 n ARG 72 N -5.09 0.00 -0.25 0.20 0.63 -0.85 0.13 116.66 111.43 2j02 n ARG 72 Ca -0.09 0.40 -0.03 0.00 -0.92 0.00 0.00 57.85 57.20 2j02 n ARG 72 Cb 0.25 -0.79 0.03 0.00 0.45 0.00 0.00 32.46 32.40 2j02 n ARG 72 CO 0.00 0.00 0.00 -0.07 -2.51 0.00 0.00 177.63 175.05 2j02 h LEU 73 N 0.00 -1.17 -0.12 6.15 3.38 -1.68 0.40 115.31 122.28 2j02 h LEU 73 Ca 0.00 0.25 0.02 0.00 0.09 0.00 0.00 57.88 58.24 2j02 h LEU 73 Cb 0.00 0.61 -0.04 0.00 0.09 0.00 0.00 40.66 41.32 2j02 h LEU 73 CO 0.00 -0.29 -0.28 -0.07 0.09 0.00 0.00 178.44 177.89 2j02 h LEU 74 N -0.10 -0.90 -0.42 1.67 3.38 -0.68 0.12 115.31 118.38 2j02 h LEU 74 Ca 0.28 0.11 0.04 0.00 0.09 0.00 0.00 57.88 58.40 2j02 h LEU 74 Cb 0.56 0.36 -0.06 0.00 0.09 0.00 0.00 40.66 41.61 2j02 h LEU 74 CO -0.77 -0.23 -0.33 -0.09 0.09 0.00 0.00 178.44 177.12 2j02 h ARG 75 N -0.26 -0.09 -1.51 1.13 2.43 0.27 0.12 114.38 116.46 2j02 h ARG 75 Ca 0.02 0.01 0.46 0.00 -0.81 0.00 0.00 59.98 59.66 2j02 h ARG 75 Cb 0.33 0.02 -0.10 0.00 -0.42 0.00 0.00 29.97 29.80 2j02 h ARG 75 CO -0.25 -0.06 1.04 0.37 -1.51 0.00 0.00 179.97 179.56 2j02 h GLN 76 N -0.10 0.05 -0.70 0.20 4.15 0.34 4.72 115.11 123.77 2j02 h GLN 76 Ca 0.07 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.49 2j02 h GLN 76 Cb 0.28 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 27.95 2j02 h GLN 76 CO -0.45 0.04 0.00 0.00 -1.93 0.00 0.00 178.83 176.49 2j02 n ALA 77 N -2.70 2.84 -3.29 3.38 0.00 0.41 -4.88 120.51 116.27 2j02 n ALA 77 Ca 0.37 -0.60 -0.14 0.00 0.00 0.00 0.00 53.44 53.07 2j02 n ALA 77 Cb 1.58 -1.03 0.05 0.00 0.00 0.00 0.00 19.45 20.05 2j02 n ALA 77 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2j02 n GLY 78 N 0.40 -1.16 0.09 0.00 0.00 1.54 -4.95 105.19 101.11 2j02 n GLY 78 Ca 0.09 0.54 -0.10 0.00 0.00 0.00 0.00 46.02 46.55 2j02 n GLY 78 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2j02 n VAL 79 N -3.03 1.57 -0.10 1.61 0.31 -1.01 -4.56 118.33 113.12 2j02 n VAL 79 Ca -0.06 -0.79 -0.13 0.00 -0.01 0.00 0.00 64.34 63.35 2j02 n VAL 79 Cb 0.59 -0.97 -0.15 0.00 -0.91 0.00 0.00 33.84 32.41 2j02 n VAL 79 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 2j02 n PHE 80 N -3.02 0.16 -1.66 3.52 3.01 -1.26 -4.96 117.46 113.26 2j02 n PHE 80 Ca -0.23 0.05 -0.64 0.00 1.01 0.00 0.00 57.45 57.64 2j02 n PHE 80 Cb 1.08 -1.03 -0.10 0.00 -0.01 0.00 0.00 39.48 39.43 2j02 n PHE 80 CO 0.00 0.00 0.00 -2.13 1.01 0.00 0.00 176.76 175.64 2j02 n ARG 81 N -2.96 0.31 0.00 -1.08 0.63 -1.26 -4.85 116.66 107.45 2j02 n ARG 81 Ca -0.35 0.11 0.04 0.00 -0.92 0.00 0.00 57.85 56.73 2j02 n ARG 81 Cb 1.10 -1.68 -0.04 0.00 0.45 0.00 0.00 32.46 32.29 2j02 n ARG 81 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2j02 n GLN 82 N 4.99 3.82 0.00 -0.14 0.00 -1.26 -5.01 117.38 119.78 2j02 n GLN 82 Ca 0.34 -0.13 0.00 0.00 0.00 0.00 0.00 57.00 57.21 2j02 n GLN 82 Cb -0.00 -0.92 0.00 0.00 0.00 0.00 0.00 30.24 29.32 2j02 n GLN 82 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 2j02 n GLU 83 N -0.98 0.00 0.00 2.61 -0.58 -1.26 -5.29 120.64 115.13 2j02 n GLU 83 Ca 0.02 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.76 2j02 n GLU 83 Cb 0.14 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.01 2j02 n GLU 83 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65