#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2j98 h PRO 6 N 0.00 0.00 -0.30 1.97 0.11 -1.98 -1.61 132.00 130.19 2j98 h PRO 6 Ca 0.00 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.06 2j98 h PRO 6 Cb 0.00 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.09 2j98 h PRO 6 CO 0.00 0.00 -0.04 0.78 -0.21 0.00 0.00 178.00 178.53 2j98 h GLY 7 N 0.00 0.50 -5.54 -0.55 0.00 -1.97 -3.36 103.07 92.15 2j98 h GLY 7 Ca 0.12 -0.31 -0.48 0.00 0.00 0.00 0.00 47.33 46.66 2j98 h GLY 7 CO -0.00 0.28 2.81 0.28 0.00 0.00 0.00 176.54 179.91 2j98 n LYS 8 N -4.27 2.31 -2.62 4.80 5.02 -0.61 -4.92 118.16 117.88 2j98 n LYS 8 Ca 0.01 -1.69 -0.41 0.00 -2.02 0.00 0.00 58.31 54.20 2j98 n LYS 8 Cb 0.26 -2.62 -0.05 0.00 -0.02 0.00 0.00 35.03 32.61 2j98 n LYS 8 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 2j98 s MET 9 N 3.41 4.70 0.18 1.97 -1.94 -1.26 -4.45 119.30 121.91 2j98 s MET 9 Ca 0.47 1.61 0.07 0.00 -1.71 0.00 0.00 55.69 56.14 2j98 s MET 9 Cb 0.12 -3.28 -0.04 0.00 2.01 0.00 0.00 34.83 33.64 2j98 s MET 9 CO -0.02 0.26 -0.14 0.15 -0.01 0.00 0.00 175.02 175.26 2j98 s LYS 10 N -0.75 1.23 -0.03 2.03 1.02 0.11 -4.95 119.74 118.40 2j98 s LYS 10 Ca 0.45 -1.48 0.06 0.00 0.02 0.00 0.00 55.97 55.02 2j98 s LYS 10 Cb -0.28 -1.04 -0.01 0.00 -0.52 0.00 0.00 37.83 35.98 2j98 s LYS 10 CO 0.34 0.18 -0.22 0.08 -0.92 0.00 0.00 175.35 174.81 2j98 s VAL 11 N -2.75 1.78 -0.09 3.17 1.01 -1.26 -0.74 120.40 121.52 2j98 s VAL 11 Ca 0.18 -0.94 -0.02 0.00 0.00 0.00 0.00 61.98 61.21 2j98 s VAL 11 Cb -0.02 -1.49 0.03 0.00 0.00 0.00 0.00 36.38 34.90 2j98 s VAL 11 CO 0.05 0.50 0.00 -0.75 0.00 0.00 0.00 175.10 174.91 2j98 s LYS 12 N -0.31 0.64 0.05 2.72 2.20 -0.21 -4.98 119.74 119.85 2j98 s LYS 12 Ca 0.03 0.03 -0.35 0.00 -0.36 0.00 0.00 55.97 55.32 2j98 s LYS 12 Cb -0.11 -1.14 -0.14 0.00 -1.51 0.00 0.00 37.83 34.93 2j98 s LYS 12 CO 0.01 -0.35 1.59 0.00 -0.36 0.00 0.00 175.35 176.24 2j98 n ALA 13 N 5.13 0.52 -3.24 3.13 0.00 -1.26 -0.40 120.51 124.39 2j98 n ALA 13 Ca -0.07 0.43 -0.14 0.00 0.00 0.00 0.00 53.44 53.66 2j98 n ALA 13 Cb 0.50 -2.30 -0.07 0.00 0.00 0.00 0.00 19.45 17.58 2j98 n ALA 13 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2j98 s THR 14 N 1.63 0.05 0.28 0.00 2.01 0.64 -4.85 115.64 115.40 2j98 s THR 14 Ca 0.85 -0.41 -0.23 0.00 0.31 0.00 0.00 61.69 62.21 2j98 s THR 14 Cb -0.79 -0.82 -0.09 0.00 0.01 0.00 0.00 72.50 70.81 2j98 s THR 14 CO 0.45 -0.23 0.83 -0.75 -0.69 0.00 0.00 174.62 174.24 2j98 s LYS 15 N -1.81 4.40 0.26 4.92 2.20 -1.26 -1.78 119.74 126.66 2j98 s LYS 15 Ca -0.10 1.08 0.10 0.00 -0.36 0.00 0.00 55.97 56.70 2j98 s LYS 15 Cb -0.02 -2.81 -0.04 0.00 -1.51 0.00 0.00 37.83 33.44 2j98 s LYS 15 CO 0.02 0.32 -0.05 0.20 -0.36 0.00 0.00 175.35 175.49 2j98 s GLY 16 N -1.67 1.70 0.05 5.54 0.00 -0.11 -4.50 107.32 108.33 2j98 s GLY 16 Ca 0.47 -1.66 0.04 0.00 0.00 0.00 0.00 44.72 43.56 2j98 s GLY 16 CO 0.22 -1.73 -0.11 -0.54 0.00 0.00 0.00 173.10 170.94 2j98 s GLU 17 N -3.54 0.68 0.35 2.90 8.01 -0.11 -1.27 118.70 125.70 2j98 s GLU 17 Ca 0.30 -0.83 0.07 0.00 0.01 0.00 0.00 54.97 54.53 2j98 s GLU 17 Cb -0.06 -0.57 -0.03 0.00 -4.31 0.00 0.00 34.13 29.16 2j98 s GLU 17 CO 0.19 0.12 0.24 0.41 0.01 0.00 0.00 175.26 176.23 2j98 n GLY 18 N 1.46 3.01 3.58 -1.39 0.00 -0.60 -0.27 105.19 110.96 2j98 n GLY 18 Ca -0.21 -1.95 -0.38 0.00 0.00 0.00 0.00 46.02 43.48 2j98 n GLY 18 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2j98 n ASP 19 N -1.66 0.33 -0.25 1.61 8.00 -1.26 -3.26 116.55 120.06 2j98 n ASP 19 Ca 0.04 0.81 -0.03 0.00 0.71 0.00 0.00 54.79 56.32 2j98 n ASP 19 Cb 0.60 -1.33 -0.01 0.00 -0.02 0.00 0.00 41.12 40.36 2j98 n ASP 19 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2j98 n GLY 20 N 1.41 0.64 2.37 0.44 0.00 -1.26 -3.11 105.19 105.68 2j98 n GLY 20 Ca 0.13 -0.87 -0.13 0.00 0.00 0.00 0.00 46.02 45.15 2j98 n GLY 20 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2j98 n GLY 21 N -2.56 1.31 3.80 -0.02 0.00 -1.20 -5.02 105.19 101.50 2j98 n GLY 21 Ca -0.03 -0.41 -0.34 0.00 0.00 0.00 0.00 46.02 45.24 2j98 n GLY 21 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2j98 s ILE 22 N -2.49 3.76 0.08 -0.61 -4.36 -1.18 -4.91 121.20 111.49 2j98 s ILE 22 Ca 0.00 1.07 -0.00 0.00 -0.26 0.00 0.00 60.65 61.46 2j98 s ILE 22 Cb 0.00 -3.44 -0.04 0.00 1.25 0.00 0.00 42.46 40.23 2j98 s ILE 22 CO 0.00 -0.27 -0.03 0.42 0.24 0.00 0.00 174.94 175.30 2j98 s THR 23 N -2.03 0.38 0.07 8.37 -4.23 -1.26 -1.56 115.64 115.37 2j98 s THR 23 Ca 0.67 -1.86 0.00 0.00 -1.18 0.00 0.00 61.69 59.32 2j98 s THR 23 Cb -0.17 -1.64 -0.04 0.00 1.34 0.00 0.00 72.50 72.00 2j98 s THR 23 CO 0.22 -0.90 -0.05 -0.94 -0.54 0.00 0.00 174.62 172.42 2j98 s SER 24 N -2.98 0.75 -0.03 3.99 1.04 -0.40 -4.95 113.70 111.11 2j98 s SER 24 Ca 0.11 -0.93 -0.06 0.00 0.48 0.00 0.00 55.95 55.54 2j98 s SER 24 Cb 0.07 0.14 -0.04 0.00 0.10 0.00 0.00 66.02 66.29 2j98 s SER 24 CO -0.07 -0.50 0.21 -1.61 0.98 0.00 0.00 173.24 172.26 2j98 s GLU 25 N -3.54 3.52 0.00 4.02 0.41 -1.26 -0.93 118.70 120.92 2j98 s GLU 25 Ca 0.06 -0.14 0.00 0.00 -0.41 0.00 0.00 54.97 54.48 2j98 s GLU 25 Cb 0.04 -3.12 0.00 0.00 -1.78 0.00 0.00 34.13 29.27 2j98 s GLU 25 CO -0.07 0.69 0.00 0.41 -0.49 0.00 0.00 175.26 175.81 2j98 n GLY 26 N 1.33 1.20 3.25 -1.39 0.00 -0.74 -4.49 105.19 104.36 2j98 n GLY 26 Ca -0.14 -0.82 -0.32 0.00 0.00 0.00 0.00 46.02 44.75 2j98 n GLY 26 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2j98 s ASN 27 N -0.11 3.14 0.05 1.61 0.01 -0.37 -0.26 114.94 119.01 2j98 s ASN 27 Ca 0.00 -0.53 -0.24 0.00 -0.71 0.00 0.00 52.86 51.38 2j98 s ASN 27 Cb 0.00 -1.21 -0.06 0.00 0.41 0.00 0.00 41.25 40.40 2j98 s ASN 27 CO 0.00 0.19 0.72 0.00 -1.51 0.00 0.00 177.10 176.51 2j98 s ALA 28 N 0.14 3.41 -0.20 0.60 0.00 0.46 -0.65 121.76 125.53 2j98 s ALA 28 Ca -0.13 0.23 -0.10 0.00 0.00 0.00 0.00 51.96 51.96 2j98 s ALA 28 Cb -0.16 -2.92 -0.05 0.00 0.00 0.00 0.00 23.12 19.98 2j98 s ALA 28 CO 0.07 0.13 0.14 -0.51 0.00 0.00 0.00 175.76 175.59 2j98 s LEU 29 N -0.25 4.21 0.23 0.00 1.43 0.18 -1.04 118.68 123.43 2j98 s LEU 29 Ca 0.36 0.24 -0.11 0.00 -1.03 0.00 0.00 54.13 53.59 2j98 s LEU 29 Cb -0.20 -2.11 -0.01 0.00 0.03 0.00 0.00 46.19 43.90 2j98 s LEU 29 CO 0.22 0.17 0.41 -0.72 0.23 0.00 0.00 176.35 176.66 2j98 s TYR 30 N 0.42 0.44 -0.01 0.29 -0.85 0.08 -0.44 117.35 117.27 2j98 s TYR 30 Ca 0.08 -0.78 -0.01 0.00 -0.52 0.00 0.00 57.07 55.84 2j98 s TYR 30 Cb -0.11 0.07 0.00 0.00 0.38 0.00 0.00 41.96 42.30 2j98 s TYR 30 CO -0.01 -0.91 0.02 1.21 -1.52 0.00 0.00 175.55 174.34 2j98 s ASN 31 N -3.02 -0.02 -1.21 -0.18 3.84 -0.61 0.05 114.94 113.79 2j98 s ASN 31 Ca 0.23 0.05 -0.11 0.00 0.21 0.00 0.00 52.86 53.23 2j98 s ASN 31 Cb 0.01 0.04 0.19 0.00 -0.55 0.00 0.00 41.25 40.94 2j98 s ASN 31 CO 0.08 -0.02 1.51 0.59 -2.79 0.00 0.00 177.10 176.47 2j98 n ASN 32 N 3.14 5.31 -4.55 -4.21 3.02 -1.26 -0.88 115.26 115.83 2j98 n ASN 32 Ca -0.13 -3.05 -0.39 0.00 -0.03 0.00 0.00 54.58 50.98 2j98 n ASN 32 Cb 0.59 -1.50 -0.03 0.00 -0.61 0.00 0.00 39.78 38.23 2j98 n ASN 32 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 2j98 s GLU 33 N 0.62 2.83 -1.15 3.52 2.02 -1.21 -4.15 118.70 121.18 2j98 s GLU 33 Ca 0.40 0.35 -0.06 0.00 0.02 0.00 0.00 54.97 55.68 2j98 s GLU 33 Cb -0.00 -4.31 -0.03 0.00 0.10 0.00 0.00 34.13 29.89 2j98 s GLU 33 CO -0.00 -2.52 0.87 0.41 0.02 0.00 0.00 175.26 174.04 2j98 n GLY 34 N 5.58 -0.78 1.99 -1.39 0.00 -1.26 -3.61 105.19 105.72 2j98 n GLY 34 Ca 0.15 0.36 0.00 0.00 0.00 0.00 0.00 46.02 46.53 2j98 n GLY 34 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2j98 n GLY 35 N -1.36 0.42 2.89 -0.02 0.00 -1.26 -5.02 105.19 100.84 2j98 n GLY 35 Ca -0.17 -0.80 -0.15 0.00 0.00 0.00 0.00 46.02 44.90 2j98 n GLY 35 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2j98 s ARG 36 N -1.46 0.07 -0.37 1.61 6.06 -1.24 -5.12 118.95 118.49 2j98 s ARG 36 Ca 0.00 0.43 -0.29 0.00 -2.50 0.00 0.00 55.73 53.37 2j98 s ARG 36 Cb 0.00 -0.22 0.01 0.00 0.06 0.00 0.00 34.95 34.80 2j98 s ARG 36 CO 0.00 -0.21 1.28 0.00 -2.50 0.00 0.00 175.30 173.86 2j98 s ALA 37 N 1.55 3.25 -0.39 6.12 0.00 -1.26 -3.28 121.76 127.74 2j98 s ALA 37 Ca -0.05 -0.10 -0.10 0.00 0.00 0.00 0.00 51.96 51.71 2j98 s ALA 37 Cb -0.12 -3.84 0.05 0.00 0.00 0.00 0.00 23.12 19.22 2j98 s ALA 37 CO -0.06 -2.01 0.23 0.12 0.00 0.00 0.00 175.76 174.04 2j98 s PHE 38 N 4.61 3.28 0.16 0.00 5.99 -0.06 -4.96 117.98 127.01 2j98 s PHE 38 Ca 0.55 -1.24 -0.30 0.00 0.00 0.00 0.00 56.93 55.94 2j98 s PHE 38 Cb -0.13 -2.67 -0.08 0.00 0.00 0.00 0.00 43.02 40.14 2j98 s PHE 38 CO 0.27 -0.75 1.27 1.41 -0.00 0.00 0.00 175.22 177.42 2j98 s MET 39 N 1.49 4.41 -0.19 10.12 -2.45 -1.26 -1.57 119.30 129.85 2j98 s MET 39 Ca 0.02 1.97 0.05 0.00 -1.25 0.00 0.00 55.69 56.48 2j98 s MET 39 Cb -0.21 -3.24 -0.15 0.00 1.25 0.00 0.00 34.83 32.48 2j98 s MET 39 CO 0.04 -0.23 -0.12 0.66 1.05 0.00 0.00 175.02 176.42 2j98 n TYR 40 N 2.98 0.00 -3.59 4.11 4.02 0.41 -4.86 117.16 120.23 2j98 n TYR 40 Ca 0.07 0.00 -0.10 0.00 -0.01 0.00 0.00 57.90 57.85 2j98 n TYR 40 Cb 0.44 -0.80 -0.02 0.00 -0.02 0.00 0.00 39.34 38.94 2j98 n TYR 40 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2j98 s ALA 41 N -2.41 -1.37 -0.07 -0.72 0.00 -1.03 -1.65 121.76 114.52 2j98 s ALA 41 Ca -0.22 0.16 0.03 0.00 0.00 0.00 0.00 51.96 51.92 2j98 s ALA 41 Cb 0.07 0.87 0.01 0.00 0.00 0.00 0.00 23.12 24.06 2j98 s ALA 41 CO 0.53 -0.84 -0.13 -0.47 0.00 0.00 0.00 175.76 174.85 2j98 s TYR 42 N -3.81 1.54 -0.09 0.00 5.04 0.40 -0.64 117.35 119.78 2j98 s TYR 42 Ca 0.05 -0.56 0.03 0.00 -2.44 0.00 0.00 57.07 54.14 2j98 s TYR 42 Cb -0.02 -1.11 -0.01 0.00 0.35 0.00 0.00 41.96 41.17 2j98 s TYR 42 CO -0.06 -0.28 -0.19 0.08 -1.34 0.00 0.00 175.55 173.76 2j98 s VAL 43 N 0.59 2.56 0.20 3.14 1.01 0.18 -0.23 120.40 127.85 2j98 s VAL 43 Ca -0.14 -0.86 -0.14 0.00 0.00 0.00 0.00 61.98 60.85 2j98 s VAL 43 Cb -0.16 -2.01 0.01 0.00 0.00 0.00 0.00 36.38 34.22 2j98 s VAL 43 CO 0.04 0.55 0.44 0.28 0.00 0.00 0.00 175.10 176.41 2j98 s THR 44 N 0.09 0.03 0.00 3.92 -1.32 -0.80 -1.24 115.64 116.32 2j98 s THR 44 Ca -0.09 -1.13 0.31 0.00 -1.21 0.00 0.00 61.69 59.58 2j98 s THR 44 Cb -0.15 -1.82 0.38 0.00 -1.51 0.00 0.00 72.50 69.39 2j98 s THR 44 CO 0.05 -0.15 1.91 0.74 -2.21 0.00 0.00 174.62 174.97 2j98 h THR 45 N 2.32 0.03 -3.39 5.08 2.02 -1.87 0.21 112.91 117.30 2j98 h THR 45 Ca -0.29 -0.63 -0.68 0.00 0.77 0.00 0.00 66.41 65.59 2j98 h THR 45 Cb 1.25 1.61 -0.15 0.00 -1.74 0.00 0.00 68.15 69.12 2j98 h THR 45 CO 0.40 0.01 -0.64 -0.54 0.37 0.00 0.00 175.52 175.12 2j98 s LYS 46 N -3.58 2.86 0.74 6.66 1.02 -1.26 -4.73 119.74 121.45 2j98 s LYS 46 Ca 0.02 -0.51 -0.08 0.00 0.02 0.00 0.00 55.97 55.42 2j98 s LYS 46 Cb 0.08 -2.71 0.07 0.00 -0.52 0.00 0.00 37.83 34.76 2j98 s LYS 46 CO 0.57 0.66 1.07 -1.25 -0.92 0.00 0.00 175.35 175.48 2j98 s PRO 47 N -1.15 2.07 0.00 -1.68 0.04 -1.26 -4.52 135.00 128.50 2j98 s PRO 47 Ca 0.16 -0.19 0.00 0.00 0.04 0.00 0.00 61.00 61.00 2j98 s PRO 47 Cb -0.11 -2.11 0.00 0.00 0.04 0.00 0.00 34.50 32.32 2j98 s PRO 47 CO 0.05 -1.38 0.00 0.41 0.04 0.00 0.00 177.00 176.13 2j98 n GLY 48 N -3.05 0.77 3.79 0.56 0.00 -1.26 -5.03 105.19 100.97 2j98 n GLY 48 Ca 0.08 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.76 2j98 n GLY 48 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2j98 s MET 49 N -0.26 3.90 0.00 1.61 -1.94 -1.26 -4.30 119.30 117.05 2j98 s MET 49 Ca 0.00 1.39 0.00 0.00 -1.71 0.00 0.00 55.69 55.37 2j98 s MET 49 Cb 0.00 -2.20 0.00 0.00 2.01 0.00 0.00 34.83 34.64 2j98 s MET 49 CO 0.00 -0.35 0.00 1.63 -0.01 0.00 0.00 175.02 176.29 2j98 n LYS 50 N -0.75 2.50 -3.58 2.03 4.76 0.62 -4.90 118.16 118.85 2j98 n LYS 50 Ca 0.08 0.00 -0.10 0.00 -2.87 0.00 0.00 58.31 55.42 2j98 n LYS 50 Cb 0.52 -0.82 -0.02 0.00 -1.84 0.00 0.00 35.03 32.87 2j98 n LYS 50 CO 0.00 0.00 0.00 1.52 -1.37 0.00 0.00 177.40 177.55 2j98 s TYR 51 N -1.60 -0.40 -0.03 2.13 -0.85 -0.71 -0.65 117.35 115.24 2j98 s TYR 51 Ca 0.00 0.10 0.03 0.00 -0.52 0.00 0.00 57.07 56.68 2j98 s TYR 51 Cb 0.00 0.59 -0.00 0.00 0.38 0.00 0.00 41.96 42.93 2j98 s TYR 51 CO 0.00 -0.97 -0.12 0.08 -1.52 0.00 0.00 175.55 173.02 2j98 s VAL 52 N -3.81 1.01 -0.39 -3.49 1.01 -0.56 -0.94 120.40 113.24 2j98 s VAL 52 Ca 0.05 -0.50 -0.25 0.00 0.00 0.00 0.00 61.98 61.29 2j98 s VAL 52 Cb -0.03 -0.88 0.02 0.00 0.00 0.00 0.00 36.38 35.49 2j98 s VAL 52 CO -0.06 0.30 0.86 -0.54 0.00 0.00 0.00 175.10 175.67 2j98 s LYS 53 N 0.07 3.74 -0.22 2.72 1.02 -1.26 -0.47 119.74 125.34 2j98 s LYS 53 Ca -0.02 0.38 -0.05 0.00 0.02 0.00 0.00 55.97 56.30 2j98 s LYS 53 Cb -0.09 -3.83 -0.02 0.00 -0.52 0.00 0.00 37.83 33.37 2j98 s LYS 53 CO 0.01 -0.96 -0.00 -0.46 -0.92 0.00 0.00 175.35 173.01 2j98 s TRP 54 N 3.37 3.01 -0.07 3.18 -0.11 0.12 -4.93 118.94 123.51 2j98 s TRP 54 Ca 0.35 -0.64 -0.27 0.00 1.22 0.00 0.00 56.10 56.76 2j98 s TRP 54 Cb -0.12 -2.13 -0.03 0.00 -1.50 0.00 0.00 33.47 29.70 2j98 s TRP 54 CO 0.19 -0.39 0.87 -2.00 -4.62 0.00 0.00 176.95 171.01 2j98 s GLU 55 N 1.33 4.45 0.32 5.86 2.12 -1.26 -0.78 118.70 130.74 2j98 s GLU 55 Ca 0.04 1.18 0.10 0.00 0.36 0.00 0.00 54.97 56.65 2j98 s GLU 55 Cb -0.15 -3.49 -0.06 0.00 0.26 0.00 0.00 34.13 30.70 2j98 s GLU 55 CO 0.00 -0.11 -0.12 -1.01 -0.54 0.00 0.00 175.26 173.49 2j98 s HIS 56 N 1.31 2.38 0.35 5.30 3.76 -0.95 -4.95 115.29 122.49 2j98 s HIS 56 Ca 0.45 -0.44 0.06 0.00 -0.15 0.00 0.00 55.06 54.98 2j98 s HIS 56 Cb -0.19 -1.27 0.67 0.00 1.11 0.00 0.00 32.58 32.90 2j98 s HIS 56 CO 0.21 0.62 1.89 -0.44 -0.85 0.00 0.00 174.74 176.17 2j98 h ASP 57 N 2.09 0.39 0.44 1.40 3.32 -2.01 -1.57 116.42 120.48 2j98 h ASP 57 Ca -0.41 -0.08 -0.03 0.00 0.02 0.00 0.00 57.03 56.53 2j98 h ASP 57 Cb 1.25 -0.10 -0.00 0.00 0.22 0.00 0.00 39.33 40.70 2j98 h ASP 57 CO 0.67 0.50 -0.15 0.77 -1.72 0.00 0.00 179.24 179.30 2j98 h SER 58 N 0.40 0.00 -2.80 6.45 4.64 -2.01 -3.47 113.55 116.76 2j98 h SER 58 Ca 0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 2j98 h SER 58 Cb 0.35 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 2j98 h SER 58 CO 0.02 0.15 0.00 0.61 -0.87 0.00 0.00 176.83 176.74 2j98 n GLY 59 N -0.56 0.97 3.76 -0.77 0.00 -0.59 -5.10 105.19 102.90 2j98 n GLY 59 Ca -0.02 -1.71 -0.40 0.00 0.00 0.00 0.00 46.02 43.89 2j98 n GLY 59 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2j98 s VAL 60 N -1.46 4.44 -0.07 1.61 1.01 -1.26 -2.25 120.40 122.43 2j98 s VAL 60 Ca 0.00 1.75 0.02 0.00 0.00 0.00 0.00 61.98 63.75 2j98 s VAL 60 Cb 0.00 -4.17 -0.02 0.00 0.00 0.00 0.00 36.38 32.19 2j98 s VAL 60 CO 0.00 0.46 -0.12 -0.69 0.00 0.00 0.00 175.10 174.75 2j98 s VAL 61 N -0.77 3.22 -0.39 2.92 1.01 0.04 -4.93 120.40 121.50 2j98 s VAL 61 Ca 0.38 -0.65 -0.21 0.00 0.00 0.00 0.00 61.98 61.50 2j98 s VAL 61 Cb -0.23 -2.30 0.01 0.00 0.00 0.00 0.00 36.38 33.87 2j98 s VAL 61 CO 0.26 0.57 0.64 0.28 0.00 0.00 0.00 175.10 176.86 2j98 s THR 62 N -0.48 4.86 -0.25 3.92 -1.32 -1.26 0.11 115.64 121.23 2j98 s THR 62 Ca 0.06 0.42 -0.19 0.00 -1.21 0.00 0.00 61.69 60.77 2j98 s THR 62 Cb -0.12 -4.12 -0.02 0.00 -1.51 0.00 0.00 72.50 66.72 2j98 s THR 62 CO 0.02 -0.42 0.58 -0.69 -2.21 0.00 0.00 174.62 171.90 2j98 s VAL 63 N 2.76 5.03 0.19 5.08 1.01 0.38 -4.93 120.40 129.91 2j98 s VAL 63 Ca 0.24 1.04 -0.26 0.00 0.00 0.00 0.00 61.98 63.00 2j98 s VAL 63 Cb -0.14 -3.89 -0.08 0.00 0.00 0.00 0.00 36.38 32.26 2j98 s VAL 63 CO 0.16 0.07 0.81 -1.61 0.00 0.00 0.00 175.10 174.53 2j98 s GLU 64 N 2.31 4.59 -0.08 2.72 2.02 -1.26 -1.50 118.70 127.50 2j98 s GLU 64 Ca 0.25 1.19 -0.04 0.00 0.02 0.00 0.00 54.97 56.39 2j98 s GLU 64 Cb -0.16 -3.20 -0.04 0.00 0.10 0.00 0.00 34.13 30.84 2j98 s GLU 64 CO 0.09 0.53 0.10 -0.51 0.02 0.00 0.00 175.26 175.49 2j98 s LEU 65 N -1.29 4.11 0.86 1.80 1.43 0.18 -1.28 118.68 124.48 2j98 s LEU 65 Ca 0.38 0.32 -0.11 0.00 -1.03 0.00 0.00 54.13 53.69 2j98 s LEU 65 Cb -0.23 -2.11 0.11 0.00 0.03 0.00 0.00 46.19 43.99 2j98 s LEU 65 CO 0.26 0.36 1.10 -1.61 0.23 0.00 0.00 176.35 176.69 2j98 s GLU 66 N -1.23 1.55 0.35 1.70 2.02 0.48 -4.80 118.70 118.77 2j98 s GLU 66 Ca 0.17 1.06 -0.28 0.00 0.02 0.00 0.00 54.97 55.95 2j98 s GLU 66 Cb -0.12 -1.82 -0.12 0.00 0.10 0.00 0.00 34.13 32.16 2j98 s GLU 66 CO 0.07 -2.11 1.22 -2.30 0.02 0.00 0.00 175.26 172.17 2j98 n PRO 67 N -3.82 1.93 -2.59 0.39 -0.02 -1.26 -4.55 135.00 125.08 2j98 n PRO 67 Ca 0.08 0.68 -0.33 0.00 -2.02 0.00 0.00 63.50 61.91 2j98 n PRO 67 Cb 0.54 -2.23 -0.05 0.00 -0.02 0.00 0.00 33.50 31.74 2j98 n PRO 67 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2j98 s PRO 68 N -1.86 3.98 -0.06 0.52 0.04 -1.26 -4.70 135.00 131.66 2j98 s PRO 68 Ca 0.57 1.14 -0.08 0.00 0.04 0.00 0.00 61.00 62.67 2j98 s PRO 68 Cb -0.58 -2.14 -0.04 0.00 0.04 0.00 0.00 34.50 31.77 2j98 s PRO 68 CO 0.61 -0.25 0.22 0.00 0.04 0.00 0.00 177.00 177.63 2j98 s ALA 69 N -2.27 3.85 0.16 8.56 0.00 -0.21 -4.90 121.76 126.95 2j98 s ALA 69 Ca 0.63 -0.56 -0.20 0.00 0.00 0.00 0.00 51.96 51.82 2j98 s ALA 69 Cb -0.11 -2.06 -0.08 0.00 0.00 0.00 0.00 23.12 20.87 2j98 s ALA 69 CO 0.21 0.62 0.66 1.03 0.00 0.00 0.00 175.76 178.28 2j98 s ARG 70 N -1.31 4.26 0.15 0.00 0.52 -1.26 0.05 118.95 121.35 2j98 s ARG 70 Ca 0.21 0.83 -0.09 0.00 -0.52 0.00 0.00 55.73 56.16 2j98 s ARG 70 Cb -0.13 -3.06 -0.00 0.00 0.52 0.00 0.00 34.95 32.27 2j98 s ARG 70 CO 0.10 0.51 0.27 -0.59 0.02 0.00 0.00 175.30 175.61 2j98 s PHE 71 N -1.33 0.30 -0.13 -0.53 -0.12 -0.30 -4.93 117.98 110.94 2j98 s PHE 71 Ca 0.37 -0.68 -0.06 0.00 -0.05 0.00 0.00 56.93 56.50 2j98 s PHE 71 Cb -0.18 -0.03 -0.04 0.00 -0.63 0.00 0.00 43.02 42.13 2j98 s PHE 71 CO 0.21 -0.68 0.10 0.08 -0.05 0.00 0.00 175.22 174.88 2j98 s VAL 72 N -3.93 5.14 0.23 -2.49 1.01 -1.26 -0.28 120.40 118.83 2j98 s VAL 72 Ca 0.14 0.08 0.11 0.00 0.00 0.00 0.00 61.98 62.31 2j98 s VAL 72 Cb 0.03 -3.25 -0.05 0.00 0.00 0.00 0.00 36.38 33.11 2j98 s VAL 72 CO -0.03 0.57 -0.21 0.27 0.00 0.00 0.00 175.10 175.70 2j98 s ILE 73 N -0.58 2.33 0.07 2.22 -4.36 0.18 -4.96 121.20 116.11 2j98 s ILE 73 Ca 0.12 -2.22 -0.26 0.00 -0.26 0.00 0.00 60.65 58.03 2j98 s ILE 73 Cb -0.12 -2.18 -0.06 0.00 1.25 0.00 0.00 42.46 41.35 2j98 s ILE 73 CO 0.02 -0.30 0.79 -1.81 0.24 0.00 0.00 174.94 173.88 2j98 s ASP 74 N -3.13 7.28 0.25 4.36 1.01 -1.26 -1.09 116.67 124.08 2j98 s ASP 74 Ca 0.25 1.52 0.02 0.00 0.71 0.00 0.00 52.55 55.05 2j98 s ASP 74 Cb -0.06 -2.49 -0.05 0.00 1.01 0.00 0.00 42.92 41.33 2j98 s ASP 74 CO 0.12 0.04 0.08 0.42 0.21 0.00 0.00 175.17 176.03 2j98 s THR 75 N -0.24 0.64 -0.04 -1.27 -4.23 -0.79 -4.93 115.64 104.78 2j98 s THR 75 Ca 0.39 -2.00 0.20 0.00 -1.18 0.00 0.00 61.69 59.10 2j98 s THR 75 Cb -0.21 -2.56 0.20 0.00 1.34 0.00 0.00 72.50 71.27 2j98 s THR 75 CO 0.24 -0.09 1.57 -0.65 -0.54 0.00 0.00 174.62 175.16 2j98 h PRO 76 N 2.42 0.00 0.00 3.99 0.11 -2.00 -1.56 132.00 134.96 2j98 h PRO 76 Ca -0.38 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.73 2j98 h PRO 76 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 2j98 h PRO 76 CO 0.62 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.66 2j98 n THR 77 N -2.25 0.62 0.00 -1.15 -2.24 -1.26 -5.11 114.28 102.89 2j98 n THR 77 Ca -0.01 -0.81 0.00 0.00 -2.27 0.00 0.00 64.05 60.96 2j98 n THR 77 Cb 0.15 0.69 0.00 0.00 -2.10 0.00 0.00 70.33 69.07 2j98 n THR 77 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2j98 n GLY 78 N -0.31 0.42 3.67 3.38 0.00 -0.59 -5.06 105.19 106.71 2j98 n GLY 78 Ca 0.00 -2.25 -0.39 0.00 0.00 0.00 0.00 46.02 43.38 2j98 n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2j98 n PRO 79 N -0.18 1.47 -4.05 1.61 -0.04 -1.26 -1.88 135.00 130.67 2j98 n PRO 79 Ca 0.00 0.54 -0.10 0.00 -0.04 0.00 0.00 63.50 63.90 2j98 n PRO 79 Cb 0.00 -2.33 -0.11 0.00 -0.04 0.00 0.00 33.50 31.03 2j98 n PRO 79 CO 0.00 0.00 0.00 1.14 -0.04 0.00 0.00 175.50 176.60 2j98 s GLN 80 N -2.54 0.51 -0.09 0.54 -2.07 -0.25 -4.89 119.66 110.87 2j98 s GLN 80 Ca 0.69 -0.91 -0.13 0.00 -1.82 0.00 0.00 55.36 53.19 2j98 s GLN 80 Cb -0.46 0.01 -0.05 0.00 -1.09 0.00 0.00 33.01 31.42 2j98 s GLN 80 CO 0.52 -0.04 0.33 0.42 -1.32 0.00 0.00 175.29 175.20 2j98 s ILE 81 N -2.41 5.22 0.37 3.63 -1.09 -1.26 -0.65 121.20 125.02 2j98 s ILE 81 Ca -0.05 0.64 0.05 0.00 -2.23 0.00 0.00 60.65 59.06 2j98 s ILE 81 Cb -0.03 -3.64 -0.07 0.00 -1.58 0.00 0.00 42.46 37.14 2j98 s ILE 81 CO -0.04 0.49 0.04 -0.54 -1.23 0.00 0.00 174.94 173.67 2j98 s LYS 82 N -0.35 1.81 -0.09 2.79 1.02 0.62 -4.86 119.74 120.68 2j98 s LYS 82 Ca 0.20 -2.02 0.02 0.00 0.02 0.00 0.00 55.97 54.18 2j98 s LYS 82 Cb -0.14 -1.17 -0.02 0.00 -0.52 0.00 0.00 37.83 35.97 2j98 s LYS 82 CO 0.08 -0.16 -0.15 0.71 -0.92 0.00 0.00 175.35 174.91 2j98 s TYR 83 N -3.05 2.73 -0.20 3.18 1.51 0.72 -1.15 117.35 121.08 2j98 s TYR 83 Ca 0.34 -0.46 -0.03 0.00 -1.01 0.00 0.00 57.07 55.91 2j98 s TYR 83 Cb 0.09 -1.73 -0.00 0.00 -0.11 0.00 0.00 41.96 40.20 2j98 s TYR 83 CO 0.16 -0.05 -0.08 -1.17 -1.11 0.00 0.00 175.55 173.29 2j98 s LEU 84 N -0.14 2.72 -0.29 -1.29 2.96 0.11 -1.91 118.68 120.85 2j98 s LEU 84 Ca -0.01 -0.44 -0.02 0.00 -0.22 0.00 0.00 54.13 53.44 2j98 s LEU 84 Cb -0.14 -1.68 0.04 0.00 0.50 0.00 0.00 46.19 44.92 2j98 s LEU 84 CO 0.03 -0.00 -0.01 -0.31 -1.32 0.00 0.00 176.35 174.74 2j98 s TYR 85 N 1.35 3.21 0.41 5.38 1.51 0.68 -1.04 117.35 128.85 2j98 s TYR 85 Ca 0.04 -1.76 -0.24 0.00 -1.01 0.00 0.00 57.07 54.11 2j98 s TYR 85 Cb -0.14 -2.10 -0.09 0.00 -0.11 0.00 0.00 41.96 39.52 2j98 s TYR 85 CO -0.05 -0.78 1.07 -0.06 -1.11 0.00 0.00 175.55 174.62 2j98 s PHE 86 N 1.28 3.19 0.53 2.71 0.40 -1.26 -0.45 117.98 124.38 2j98 s PHE 86 Ca -0.04 1.62 -0.21 0.00 -0.60 0.00 0.00 56.93 57.71 2j98 s PHE 86 Cb -0.19 -3.16 -0.05 0.00 0.51 0.00 0.00 43.02 40.13 2j98 s PHE 86 CO -0.02 -0.77 1.22 0.14 0.70 0.00 0.00 175.22 176.49 2j98 s VAL 87 N -1.66 2.72 0.39 -0.44 -7.23 -0.66 -0.38 120.40 113.14 2j98 s VAL 87 Ca 0.59 0.50 -0.27 0.00 -1.81 0.00 0.00 61.98 60.99 2j98 s VAL 87 Cb -0.23 -3.23 -0.10 0.00 0.56 0.00 0.00 36.38 33.38 2j98 s VAL 87 CO 0.28 -0.05 1.45 -0.54 -0.31 0.00 0.00 175.10 175.93 2j98 s LYS 88 N -3.03 4.03 -0.14 4.82 1.02 -0.41 -2.53 119.74 123.50 2j98 s LYS 88 Ca 0.71 2.49 0.00 0.00 0.02 0.00 0.00 55.97 59.20 2j98 s LYS 88 Cb -0.31 -2.90 0.00 0.00 -0.52 0.00 0.00 37.83 34.10 2j98 s LYS 88 CO 0.36 -0.57 0.00 0.09 -0.92 0.00 0.00 175.35 174.31 2j98 n ASN 89 N 0.33 -4.45 -4.77 2.83 3.02 -1.26 -4.99 115.26 105.97 2j98 n ASN 89 Ca 0.02 0.03 -0.41 0.00 -0.03 0.00 0.00 54.58 54.19 2j98 n ASN 89 Cb 0.40 -2.06 -0.01 0.00 -0.61 0.00 0.00 39.78 37.50 2j98 n ASN 89 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 2j98 s LEU 90 N -0.29 4.33 0.87 3.41 2.96 -1.05 -4.99 118.68 123.91 2j98 s LEU 90 Ca 0.00 2.99 -0.12 0.00 -0.22 0.00 0.00 54.13 56.78 2j98 s LEU 90 Cb 0.00 -3.66 0.14 0.00 0.50 0.00 0.00 46.19 43.18 2j98 s LEU 90 CO 0.00 -0.86 1.21 0.54 -1.32 0.00 0.00 176.35 175.93 2j98 s ASN 91 N 0.01 3.82 0.23 3.68 2.20 -1.26 -4.81 114.94 118.81 2j98 s ASN 91 Ca 0.55 0.37 0.01 0.00 -0.94 0.00 0.00 52.86 52.86 2j98 s ASN 91 Cb -0.46 -0.64 0.24 0.00 -2.00 0.00 0.00 41.25 38.39 2j98 s ASN 91 CO 0.58 -2.28 1.58 0.78 -2.94 0.00 0.00 177.10 174.82 2j98 h ASN 92 N -1.25 0.44 -0.47 3.54 2.35 -1.99 -1.52 115.58 116.68 2j98 h ASN 92 Ca -0.44 -0.22 0.04 0.00 -0.55 0.00 0.00 56.30 55.13 2j98 h ASN 92 Cb 1.27 -0.12 -0.04 0.00 0.05 0.00 0.00 38.32 39.48 2j98 h ASN 92 CO 0.49 0.87 0.22 0.25 -1.65 0.00 0.00 177.43 177.61 2j98 h LEU 93 N 0.32 0.31 -0.13 1.61 5.85 -1.99 -0.48 115.31 120.79 2j98 h LEU 93 Ca 0.01 0.03 -0.23 0.00 0.84 0.00 0.00 57.88 58.54 2j98 h LEU 93 Cb 1.00 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 42.01 2j98 h LEU 93 CO 0.09 0.22 -1.00 0.03 -0.34 0.00 0.00 178.44 177.44 2j98 h ARG 94 N 0.44 0.28 -0.64 1.25 3.08 -1.89 -1.69 114.38 115.21 2j98 h ARG 94 Ca 0.21 -0.35 0.04 0.00 0.07 0.00 0.00 59.98 59.95 2j98 h ARG 94 Cb 0.13 0.11 -0.05 0.00 0.08 0.00 0.00 29.97 30.25 2j98 h ARG 94 CO -0.16 1.08 0.38 0.00 -1.07 0.00 0.00 179.97 180.20 2j98 h ARG 95 N 0.14 0.70 -0.82 0.04 3.08 -1.13 -1.95 114.38 114.44 2j98 h ARG 95 Ca -0.08 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 59.90 2j98 h ARG 95 Cb 1.66 -0.16 -0.04 0.00 0.08 0.00 0.00 29.97 31.52 2j98 h ARG 95 CO 0.16 0.47 0.41 0.78 -1.07 0.00 0.00 179.97 180.71 2j98 h GLY 96 N 0.72 1.26 0.98 0.04 0.00 -0.83 -1.47 103.07 103.77 2j98 h GLY 96 Ca 0.27 -0.61 -0.01 0.00 0.00 0.00 0.00 47.33 46.98 2j98 h GLY 96 CO -0.14 0.58 0.29 0.00 0.00 0.00 0.00 176.54 177.27 2j98 h ALA 97 N 1.22 0.64 -0.19 3.60 0.00 -0.96 0.88 119.26 124.45 2j98 h ALA 97 Ca 0.28 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 55.16 2j98 h ALA 97 Cb 0.10 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 2j98 h ALA 97 CO -0.04 0.15 -0.09 0.28 0.00 0.00 0.00 179.25 179.55 2j98 h VAL 98 N 0.67 0.71 -0.66 0.00 2.07 -0.90 -1.11 116.25 117.04 2j98 h VAL 98 Ca 0.18 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.63 2j98 h VAL 98 Cb 0.03 0.71 -0.03 0.00 -1.52 0.00 0.00 31.29 30.48 2j98 h VAL 98 CO -0.03 0.00 0.15 -0.07 0.02 0.00 0.00 177.57 177.64 2j98 h LEU 99 N -0.07 0.99 -0.50 2.57 3.38 -0.46 -0.20 115.31 121.02 2j98 h LEU 99 Ca 0.10 -0.21 -0.09 0.00 0.09 0.00 0.00 57.88 57.78 2j98 h LEU 99 Cb 0.22 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 2j98 h LEU 99 CO -0.23 0.96 -0.03 1.23 0.09 0.00 0.00 178.44 180.46 2j98 h GLY 100 N 1.06 0.97 0.87 0.83 0.00 -0.77 0.29 103.07 106.31 2j98 h GLY 100 Ca 0.21 -0.74 -0.03 0.00 0.00 0.00 0.00 47.33 46.77 2j98 h GLY 100 CO 0.00 0.68 0.05 -1.82 0.00 0.00 0.00 176.54 175.45 2j98 h TYR 101 N 0.76 0.46 -0.02 5.60 3.20 -0.84 -1.61 116.97 124.53 2j98 h TYR 101 Ca 0.14 -0.06 -0.00 0.00 3.14 0.00 0.00 58.73 61.95 2j98 h TYR 101 Cb 0.56 -0.13 -0.00 0.00 1.54 0.00 0.00 36.73 38.70 2j98 h TYR 101 CO 0.04 0.53 0.01 0.82 -1.64 0.00 0.00 178.16 177.92 2j98 h ILE 102 N 0.25 1.05 -0.68 1.81 2.04 -0.87 -2.20 117.51 118.91 2j98 h ILE 102 Ca 0.08 -0.15 0.10 0.00 1.00 0.00 0.00 64.86 65.89 2j98 h ILE 102 Cb 0.31 1.12 -0.04 0.00 -0.74 0.00 0.00 36.82 37.47 2j98 h ILE 102 CO 0.00 0.04 0.45 1.23 0.00 0.00 0.00 178.15 179.88 2j98 h GLY 103 N -0.04 0.76 2.00 5.37 0.00 -0.29 0.05 103.07 110.92 2j98 h GLY 103 Ca 0.01 -0.22 -0.10 0.00 0.00 0.00 0.00 47.33 47.02 2j98 h GLY 103 CO -0.00 0.13 -0.48 0.00 0.00 0.00 0.00 176.54 176.19 2j98 h ALA 104 N 1.66 0.70 0.00 3.60 0.00 -1.17 -3.39 119.26 120.66 2j98 h ALA 104 Ca 0.32 -0.43 -0.39 0.00 0.00 0.00 0.00 54.91 54.41 2j98 h ALA 104 Cb 0.53 -0.08 -0.07 0.00 0.00 0.00 0.00 17.79 18.17 2j98 h ALA 104 CO -0.10 0.59 -2.46 0.25 0.00 0.00 0.00 179.25 177.53 2j98 n THR 105 N -3.23 1.47 1.60 0.00 -2.24 -0.55 -5.10 114.28 106.23 2j98 n THR 105 Ca 0.02 -0.56 0.14 0.00 -2.27 0.00 0.00 64.05 61.39 2j98 n THR 105 Cb 0.72 -1.42 0.61 0.00 -2.10 0.00 0.00 70.33 68.14 2j98 n THR 105 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83