#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jpg s GLN 2 N 0.00 3.55 -0.06 6.28 -1.52 -1.26 -4.64 119.66 122.01 1jpg s GLN 2 Ca 0.00 -0.16 -0.01 0.00 -1.95 0.00 0.00 55.36 53.24 1jpg s GLN 2 Cb 0.00 -2.64 0.03 0.00 -0.22 0.00 0.00 33.01 30.18 1jpg s GLN 2 CO 0.00 0.15 0.01 0.15 -0.25 0.00 0.00 175.29 175.36 1jpg s LYS 3 N -4.02 0.42 -0.47 2.91 -0.14 -1.16 -4.96 119.74 112.33 1jpg s LYS 3 Ca 0.42 0.17 -0.29 0.00 -1.36 0.00 0.00 55.97 54.91 1jpg s LYS 3 Cb -0.10 -0.82 0.02 0.00 -1.68 0.00 0.00 37.83 35.25 1jpg s LYS 3 CO 0.34 -0.29 1.33 0.95 -0.76 0.00 0.00 175.35 176.92 1jpg s THR 4 N 1.91 3.97 0.52 2.17 -4.23 -1.26 -3.62 115.64 115.10 1jpg s THR 4 Ca 0.03 0.96 -0.21 0.00 -1.18 0.00 0.00 61.69 61.29 1jpg s THR 4 Cb -0.12 -4.38 -0.07 0.00 1.34 0.00 0.00 72.50 69.26 1jpg s THR 4 CO -0.04 -0.93 1.01 -0.81 -0.54 0.00 0.00 174.62 173.30 1jpg n PRO 5 N 8.14 1.18 -4.08 3.99 -0.04 -1.25 -4.84 135.00 138.10 1jpg n PRO 5 Ca 0.14 0.44 -0.36 0.00 -0.04 0.00 0.00 63.50 63.68 1jpg n PRO 5 Cb 0.49 -2.15 -0.08 0.00 -0.04 0.00 0.00 33.50 31.72 1jpg n PRO 5 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 1jpg s GLN 6 N -2.43 3.34 -0.03 0.54 -1.52 -0.83 -4.93 119.66 113.80 1jpg s GLN 6 Ca 0.69 -0.26 0.06 0.00 -1.95 0.00 0.00 55.36 53.90 1jpg s GLN 6 Cb -0.47 -3.05 -0.01 0.00 -0.22 0.00 0.00 33.01 29.26 1jpg s GLN 6 CO 0.52 0.69 -0.20 0.42 -0.25 0.00 0.00 175.29 176.47 1jpg s ILE 7 N -0.79 1.60 -0.07 1.08 1.01 -1.26 -1.84 121.20 120.93 1jpg s ILE 7 Ca 0.13 -0.84 0.00 0.00 0.00 0.00 0.00 60.65 59.94 1jpg s ILE 7 Cb -0.12 -1.34 0.02 0.00 0.01 0.00 0.00 42.46 41.03 1jpg s ILE 7 CO 0.03 0.45 -0.06 -1.10 0.00 0.00 0.00 174.94 174.26 1jpg s GLN 8 N -0.28 1.12 -0.21 2.79 -0.21 -1.04 -5.01 119.66 116.81 1jpg s GLN 8 Ca 0.03 -0.16 -0.03 0.00 0.02 0.00 0.00 55.36 55.22 1jpg s GLN 8 Cb -0.10 -1.15 -0.00 0.00 1.00 0.00 0.00 33.01 32.76 1jpg s GLN 8 CO 0.01 -0.15 -0.07 0.08 -2.12 0.00 0.00 175.29 173.04 1jpg s VAL 9 N 1.27 3.15 0.08 1.09 1.01 -1.26 -1.23 120.40 124.52 1jpg s VAL 9 Ca -0.05 -0.57 -0.22 0.00 0.00 0.00 0.00 61.98 61.15 1jpg s VAL 9 Cb -0.14 -2.42 0.05 0.00 0.00 0.00 0.00 36.38 33.88 1jpg s VAL 9 CO -0.02 0.44 0.52 -0.72 0.00 0.00 0.00 175.10 175.32 1jpg s TYR 10 N 1.43 -0.42 0.41 5.22 1.13 -0.60 -4.50 117.35 120.02 1jpg s TYR 10 Ca 0.05 0.35 -0.14 0.00 -1.41 0.00 0.00 57.07 55.93 1jpg s TYR 10 Cb -0.14 0.38 -0.08 0.00 -1.10 0.00 0.00 41.96 41.02 1jpg s TYR 10 CO -0.05 -0.70 0.82 -1.54 -2.51 0.00 0.00 175.55 171.57 1jpg s SER 11 N -2.28 6.66 0.20 -0.18 1.04 -1.26 0.60 113.70 118.48 1jpg s SER 11 Ca -0.02 1.32 -0.00 0.00 0.48 0.00 0.00 55.95 57.72 1jpg s SER 11 Cb -0.00 -2.40 0.15 0.00 0.10 0.00 0.00 66.02 63.87 1jpg s SER 11 CO -0.06 -0.38 1.51 -0.09 0.98 0.00 0.00 173.24 175.20 1jpg h ARG 12 N 1.53 0.43 -6.06 4.02 2.43 -1.09 -3.45 114.38 112.19 1jpg h ARG 12 Ca -0.47 -0.29 -0.55 0.00 -0.81 0.00 0.00 59.98 57.86 1jpg h ARG 12 Cb 1.18 0.04 -0.17 0.00 -0.42 0.00 0.00 29.97 30.60 1jpg h ARG 12 CO 0.63 0.90 -0.78 -1.01 -1.51 0.00 0.00 179.97 178.20 1jpg s HIS 13 N -3.87 1.95 0.23 2.20 3.76 -1.26 -5.04 115.29 113.26 1jpg s HIS 13 Ca -0.06 -0.44 -0.32 0.00 -0.15 0.00 0.00 55.06 54.09 1jpg s HIS 13 Cb 0.11 -0.95 -0.12 0.00 1.11 0.00 0.00 32.58 32.73 1jpg s HIS 13 CO 0.83 0.40 1.62 -2.30 -0.85 0.00 0.00 174.74 174.44 1jpg n PRO 14 N 0.14 2.58 -1.96 8.40 -0.02 -1.26 -4.91 135.00 137.97 1jpg n PRO 14 Ca -0.12 0.92 -0.38 0.00 -2.02 0.00 0.00 63.50 61.91 1jpg n PRO 14 Cb 0.57 -2.72 0.02 0.00 -0.02 0.00 0.00 33.50 31.36 1jpg n PRO 14 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1jpg s PRO 15 N 0.38 3.33 -0.26 0.52 0.04 -1.26 -5.04 135.00 132.71 1jpg s PRO 15 Ca 0.71 2.05 -0.02 0.00 0.04 0.00 0.00 61.00 63.79 1jpg s PRO 15 Cb -0.54 -2.28 0.15 0.00 0.04 0.00 0.00 34.50 31.86 1jpg s PRO 15 CO 0.41 -0.98 0.41 -2.00 0.04 0.00 0.00 177.00 174.88 1jpg s GLU 16 N -2.87 0.39 -0.14 4.56 2.12 -1.26 -5.11 118.70 116.39 1jpg s GLU 16 Ca 0.69 0.54 -0.40 0.00 0.36 0.00 0.00 54.97 56.16 1jpg s GLU 16 Cb -0.36 -0.31 -0.18 0.00 0.26 0.00 0.00 34.13 33.54 1jpg s GLU 16 CO 0.42 -0.70 1.42 0.09 -0.54 0.00 0.00 175.26 175.95 1jpg n ASN 17 N 5.37 1.30 0.00 -1.70 3.02 -1.26 -0.63 115.26 121.36 1jpg n ASN 17 Ca -0.03 1.13 0.00 0.00 -0.03 0.00 0.00 54.58 55.66 1jpg n ASN 17 Cb 0.50 -1.05 0.00 0.00 -0.61 0.00 0.00 39.78 38.63 1jpg n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1jpg n GLY 18 N 2.94 2.90 3.68 7.41 0.00 -0.10 -4.98 105.19 117.04 1jpg n GLY 18 Ca 0.23 -0.03 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 1jpg n GLY 18 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1jpg s LYS 19 N 0.00 4.38 0.83 1.61 2.20 0.20 -4.92 119.74 124.04 1jpg s LYS 19 Ca 0.00 1.48 -0.13 0.00 -0.36 0.00 0.00 55.97 56.96 1jpg s LYS 19 Cb 0.00 -3.57 0.07 0.00 -1.51 0.00 0.00 37.83 32.83 1jpg s LYS 19 CO 0.00 -0.40 1.02 -2.30 -0.36 0.00 0.00 175.35 173.31 1jpg n PRO 20 N 5.27 0.03 -1.62 4.03 -0.02 -1.26 -4.32 135.00 137.11 1jpg n PRO 20 Ca 0.10 0.08 -0.01 0.00 -2.02 0.00 0.00 63.50 61.66 1jpg n PRO 20 Cb 0.48 -2.29 0.00 0.00 -0.02 0.00 0.00 33.50 31.67 1jpg n PRO 20 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1jpg n ASN 21 N -2.86 -0.29 -3.96 2.55 2.85 -0.35 -4.99 115.26 108.20 1jpg n ASN 21 Ca 0.12 -1.18 -0.25 0.00 -0.11 0.00 0.00 54.58 53.17 1jpg n ASN 21 Cb 0.51 0.48 -0.17 0.00 1.24 0.00 0.00 39.78 41.85 1jpg n ASN 21 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 1jpg s ILE 22 N -2.66 0.99 -0.15 -1.44 1.01 -1.26 -2.21 121.20 115.49 1jpg s ILE 22 Ca 0.03 -0.35 -0.14 0.00 0.00 0.00 0.00 60.65 60.19 1jpg s ILE 22 Cb -0.01 -0.96 -0.05 0.00 0.01 0.00 0.00 42.46 41.46 1jpg s ILE 22 CO 0.01 0.34 0.31 -0.22 0.00 0.00 0.00 174.94 175.38 1jpg s LEU 23 N 1.05 4.26 0.05 2.97 2.96 0.34 -0.39 118.68 129.91 1jpg s LEU 23 Ca -0.08 0.55 0.03 0.00 -0.22 0.00 0.00 54.13 54.41 1jpg s LEU 23 Cb -0.15 -2.40 -0.04 0.00 0.50 0.00 0.00 46.19 44.11 1jpg s LEU 23 CO -0.01 0.12 0.02 0.20 -1.32 0.00 0.00 176.35 175.35 1jpg s ASN 24 N 0.34 5.17 -0.26 3.68 0.01 0.20 -1.77 114.94 122.31 1jpg s ASN 24 Ca 0.17 -0.07 -0.03 0.00 -0.71 0.00 0.00 52.86 52.23 1jpg s ASN 24 Cb -0.13 -1.32 0.08 0.00 0.41 0.00 0.00 41.25 40.30 1jpg s ASN 24 CO 0.05 0.22 0.09 0.00 -1.51 0.00 0.00 177.10 175.95 1jpg s TYR 26 N 1.86 3.25 -0.18 0.00 5.04 -0.36 -0.34 117.35 126.62 1jpg s TYR 26 Ca 0.06 -0.79 -0.07 0.00 -2.44 0.00 0.00 57.07 53.83 1jpg s TYR 26 Cb -0.17 -2.84 -0.04 0.00 0.35 0.00 0.00 41.96 39.27 1jpg s TYR 26 CO -0.22 -0.69 0.06 0.08 -1.34 0.00 0.00 175.55 173.44 1jpg s VAL 27 N 1.65 4.80 0.35 3.14 1.01 -0.17 -2.50 120.40 128.67 1jpg s VAL 27 Ca 0.04 -0.03 0.05 0.00 0.00 0.00 0.00 61.98 62.04 1jpg s VAL 27 Cb -0.21 -3.15 -0.03 0.00 0.00 0.00 0.00 36.38 32.98 1jpg s VAL 27 CO 0.08 0.47 0.19 0.42 0.00 0.00 0.00 175.10 176.26 1jpg s THR 28 N 0.25 0.30 -1.50 3.92 -4.23 -0.77 -0.41 115.64 113.20 1jpg s THR 28 Ca 0.04 -2.00 -0.03 0.00 -1.18 0.00 0.00 61.69 58.52 1jpg s THR 28 Cb -0.12 -2.45 0.03 0.00 1.34 0.00 0.00 72.50 71.30 1jpg s THR 28 CO 0.00 0.00 0.36 0.00 -0.54 0.00 0.00 174.62 174.44 1jpg n GLN 29 N -0.70 -2.54 -4.38 3.99 1.13 -1.03 -1.97 117.38 111.87 1jpg n GLN 29 Ca 0.01 0.30 -0.21 0.00 -1.94 0.00 0.00 57.00 55.16 1jpg n GLN 29 Cb 0.64 -4.35 -0.10 0.00 0.11 0.00 0.00 30.24 26.53 1jpg n GLN 29 CO 0.00 0.00 0.00 -0.59 -1.44 0.00 0.00 177.06 175.03 1jpg s PHE 30 N -3.96 1.93 -0.28 1.08 -0.12 -1.07 -3.76 117.98 111.80 1jpg s PHE 30 Ca 0.13 -0.47 -0.22 0.00 -0.05 0.00 0.00 56.93 56.32 1jpg s PHE 30 Cb -0.07 -0.89 0.11 0.00 -0.63 0.00 0.00 43.02 41.54 1jpg s PHE 30 CO 0.93 0.47 0.92 -1.58 -0.05 0.00 0.00 175.22 175.91 1jpg s HIS 31 N -2.61 -0.63 1.08 3.49 2.46 -1.24 -1.20 115.29 116.64 1jpg s HIS 31 Ca 0.23 1.41 -0.15 0.00 0.47 0.00 0.00 55.06 57.02 1jpg s HIS 31 Cb -0.03 0.38 0.23 0.00 -0.13 0.00 0.00 32.58 33.02 1jpg s HIS 31 CO 0.09 -0.30 1.11 -1.25 -2.47 0.00 0.00 174.74 171.92 1jpg s PRO 32 N 0.70 -0.22 0.60 2.88 0.04 -1.26 -2.98 135.00 134.76 1jpg s PRO 32 Ca -0.02 0.23 0.33 0.00 0.04 0.00 0.00 61.00 61.57 1jpg s PRO 32 Cb -0.05 -1.69 1.89 0.00 0.04 0.00 0.00 34.50 34.69 1jpg s PRO 32 CO -0.09 -3.10 2.25 -1.00 0.04 0.00 0.00 177.00 175.10 1jpg h PRO 33 N -2.15 0.00 -6.46 0.56 0.13 -1.98 -3.43 132.00 118.66 1jpg h PRO 33 Ca -0.51 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.09 1jpg h PRO 33 Cb 1.32 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.45 1jpg h PRO 33 CO 0.48 0.02 0.71 -1.58 -0.23 0.00 0.00 178.00 177.41 1jpg s HIS 34 N -4.45 3.17 0.04 1.56 2.46 -1.26 -4.98 115.29 111.84 1jpg s HIS 34 Ca -0.05 1.02 -0.24 0.00 0.47 0.00 0.00 55.06 56.27 1jpg s HIS 34 Cb 0.14 -3.59 0.06 0.00 -0.13 0.00 0.00 32.58 29.06 1jpg s HIS 34 CO 0.52 -2.03 0.55 -1.50 -2.47 0.00 0.00 174.74 169.81 1jpg s ILE 35 N 1.58 0.02 -0.23 0.89 2.07 -1.26 -4.64 121.20 119.62 1jpg s ILE 35 Ca 0.62 -0.19 0.01 0.00 -1.41 0.00 0.00 60.65 59.68 1jpg s ILE 35 Cb -0.32 -0.97 0.05 0.00 0.13 0.00 0.00 42.46 41.35 1jpg s ILE 35 CO 0.28 -0.11 -0.08 -0.70 -1.91 0.00 0.00 174.94 172.42 1jpg s GLU 36 N -2.32 1.91 -0.13 3.50 2.12 0.65 -5.00 118.70 119.43 1jpg s GLU 36 Ca -0.06 -1.03 -0.03 0.00 0.36 0.00 0.00 54.97 54.21 1jpg s GLU 36 Cb -0.01 -2.61 -0.03 0.00 0.26 0.00 0.00 34.13 31.74 1jpg s GLU 36 CO -0.01 -0.54 -0.04 0.42 -0.54 0.00 0.00 175.26 174.56 1jpg s ILE 37 N 1.32 3.90 -0.02 -3.70 1.01 -1.26 0.64 121.20 123.10 1jpg s ILE 37 Ca -0.05 -0.37 0.05 0.00 0.00 0.00 0.00 60.65 60.28 1jpg s ILE 37 Cb -0.18 -2.68 -0.01 0.00 0.01 0.00 0.00 42.46 39.60 1jpg s ILE 37 CO -0.07 0.53 -0.18 -1.10 0.00 0.00 0.00 174.94 174.13 1jpg s GLN 38 N -0.03 1.47 -0.15 2.79 -0.21 0.16 -4.99 119.66 118.71 1jpg s GLN 38 Ca 0.01 -0.63 -0.04 0.00 0.02 0.00 0.00 55.36 54.73 1jpg s GLN 38 Cb -0.13 -1.40 -0.03 0.00 1.00 0.00 0.00 33.01 32.45 1jpg s GLN 38 CO 0.03 0.37 -0.04 -1.64 -2.12 0.00 0.00 175.29 171.89 1jpg s MET 39 N -0.37 3.64 0.10 2.91 -1.94 -1.26 0.58 119.30 122.96 1jpg s MET 39 Ca 0.06 -0.52 0.08 0.00 -1.71 0.00 0.00 55.69 53.60 1jpg s MET 39 Cb -0.07 -2.90 -0.04 0.00 2.01 0.00 0.00 34.83 33.83 1jpg s MET 39 CO -0.00 0.26 -0.17 -0.51 -0.01 0.00 0.00 175.02 174.58 1jpg s LEU 40 N 0.32 2.71 -0.12 -0.03 1.43 0.17 -1.01 118.68 122.15 1jpg s LEU 40 Ca -0.04 -0.52 0.01 0.00 -1.03 0.00 0.00 54.13 52.55 1jpg s LEU 40 Cb -0.14 -1.56 0.02 0.00 0.03 0.00 0.00 46.19 44.54 1jpg s LEU 40 CO 0.03 0.19 -0.13 -0.75 0.23 0.00 0.00 176.35 175.92 1jpg s LYS 41 N -2.02 2.07 -1.59 1.70 2.20 0.63 -0.77 119.74 121.96 1jpg s LYS 41 Ca 0.18 -0.49 -0.03 0.00 -0.36 0.00 0.00 55.97 55.26 1jpg s LYS 41 Cb -0.11 -1.88 0.03 0.00 -1.51 0.00 0.00 37.83 34.37 1jpg s LYS 41 CO 0.09 -0.16 0.11 0.09 -0.36 0.00 0.00 175.35 175.12 1jpg n ASN 42 N 4.54 0.47 -0.00 1.43 3.02 0.55 0.04 115.26 125.30 1jpg n ASN 42 Ca -0.17 -1.26 -0.00 0.00 -0.03 0.00 0.00 54.58 53.12 1jpg n ASN 42 Cb 0.51 -1.69 -0.00 0.00 -0.61 0.00 0.00 39.78 37.99 1jpg n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1jpg n GLY 43 N -2.34 0.40 3.36 7.41 0.00 -1.26 -5.03 105.19 107.73 1jpg n GLY 43 Ca -0.26 -0.01 -0.31 0.00 0.00 0.00 0.00 46.02 45.44 1jpg n GLY 43 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1jpg s LYS 44 N -0.43 2.11 0.15 1.61 2.20 0.11 -5.08 119.74 120.40 1jpg s LYS 44 Ca 0.00 -0.93 -0.31 0.00 -0.36 0.00 0.00 55.97 54.37 1jpg s LYS 44 Cb 0.00 -2.10 -0.08 0.00 -1.51 0.00 0.00 37.83 34.14 1jpg s LYS 44 CO 0.00 0.56 1.35 0.21 -0.36 0.00 0.00 175.35 177.11 1jpg s LYS 45 N -0.82 4.35 -0.34 4.03 2.20 -1.26 -0.27 119.74 127.63 1jpg s LYS 45 Ca 0.11 2.07 -0.22 0.00 -0.36 0.00 0.00 55.97 57.57 1jpg s LYS 45 Cb -0.10 -3.22 0.00 0.00 -1.51 0.00 0.00 37.83 33.00 1jpg s LYS 45 CO 0.00 -0.36 0.72 0.42 -0.36 0.00 0.00 175.35 175.78 1jpg s ILE 46 N 0.65 4.82 0.27 5.43 1.01 -0.18 -4.90 121.20 128.30 1jpg s ILE 46 Ca 0.61 0.88 -0.03 0.00 0.00 0.00 0.00 60.65 62.11 1jpg s ILE 46 Cb -0.37 -4.12 0.23 0.00 0.01 0.00 0.00 42.46 38.21 1jpg s ILE 46 CO 0.34 -0.30 1.91 1.55 0.00 0.00 0.00 174.94 178.43 1jpg h PRO 47 N 8.33 1.10 -4.37 2.79 0.13 -1.94 -3.37 132.00 134.67 1jpg h PRO 47 Ca -0.25 -0.11 -0.76 0.00 -0.87 0.00 0.00 66.00 64.01 1jpg h PRO 47 Cb 1.10 -0.22 -0.21 0.00 0.13 0.00 0.00 31.00 31.80 1jpg h PRO 47 CO 0.87 0.79 1.12 1.17 -0.23 0.00 0.00 178.00 181.72 1jpg n LYS 48 N -4.36 3.44 -3.99 0.86 3.00 -1.26 -4.97 118.16 110.89 1jpg n LYS 48 Ca 0.08 -4.02 -0.34 0.00 -0.00 0.00 0.00 58.31 54.03 1jpg n LYS 48 Cb 0.09 -2.90 -0.15 0.00 0.00 0.00 0.00 35.03 32.07 1jpg n LYS 48 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 1jpg s VAL 49 N 0.69 2.88 0.42 3.15 1.01 -1.26 -4.52 120.40 122.76 1jpg s VAL 49 Ca 0.39 -0.68 -0.16 0.00 0.00 0.00 0.00 61.98 61.54 1jpg s VAL 49 Cb -0.04 -2.29 -0.09 0.00 0.00 0.00 0.00 36.38 33.96 1jpg s VAL 49 CO -0.02 0.46 0.86 -1.61 0.00 0.00 0.00 175.10 174.79 1jpg s GLU 50 N 1.40 3.99 -0.05 2.72 0.41 0.01 -4.92 118.70 122.28 1jpg s GLU 50 Ca 0.05 0.81 0.01 0.00 -0.41 0.00 0.00 54.97 55.43 1jpg s GLU 50 Cb -0.14 -2.28 0.02 0.00 -1.78 0.00 0.00 34.13 29.95 1jpg s GLU 50 CO -0.07 -0.05 -0.04 -1.64 -0.49 0.00 0.00 175.26 172.97 1jpg s MET 51 N -3.52 0.82 0.93 1.61 -1.94 -1.26 -1.94 119.30 114.00 1jpg s MET 51 Ca 0.57 -0.10 -0.11 0.00 -1.71 0.00 0.00 55.69 54.34 1jpg s MET 51 Cb -0.10 -0.84 0.15 0.00 2.01 0.00 0.00 34.83 36.05 1jpg s MET 51 CO 0.23 -0.09 1.10 -1.54 -0.01 0.00 0.00 175.02 174.71 1jpg s SER 52 N 0.95 3.02 0.52 3.03 1.04 -0.52 -4.99 113.70 116.75 1jpg s SER 52 Ca -0.11 1.75 -0.18 0.00 0.48 0.00 0.00 55.95 57.90 1jpg s SER 52 Cb -0.14 -2.37 -0.07 0.00 0.10 0.00 0.00 66.02 63.54 1jpg s SER 52 CO -0.00 -2.97 1.01 -1.81 0.98 0.00 0.00 173.24 170.46 1jpg s ASP 53 N -3.04 6.33 0.13 7.02 1.01 -1.26 -4.73 116.67 122.14 1jpg s ASP 53 Ca 0.65 1.73 -0.31 0.00 0.71 0.00 0.00 52.55 55.33 1jpg s ASP 53 Cb -0.20 -2.53 -0.09 0.00 1.01 0.00 0.00 42.92 41.10 1jpg s ASP 53 CO 0.58 -0.79 1.60 -0.04 0.21 0.00 0.00 175.17 176.74 1jpg s MET 54 N -3.81 4.21 0.09 8.23 -1.94 -1.26 -4.89 119.30 119.93 1jpg s MET 54 Ca 0.62 2.34 0.02 0.00 -1.71 0.00 0.00 55.69 56.96 1jpg s MET 54 Cb -0.13 -3.32 -0.04 0.00 2.01 0.00 0.00 34.83 33.35 1jpg s MET 54 CO 0.29 -0.65 -0.07 -1.12 -0.01 0.00 0.00 175.02 173.46 1jpg s SER 55 N 1.61 1.06 0.01 3.03 0.01 -1.24 -5.07 113.70 113.13 1jpg s SER 55 Ca 0.71 -0.92 0.00 0.00 1.31 0.00 0.00 55.95 57.05 1jpg s SER 55 Cb -0.42 0.09 -0.01 0.00 0.21 0.00 0.00 66.02 65.89 1jpg s SER 55 CO 0.32 -0.42 -0.02 0.72 0.41 0.00 0.00 173.24 174.24 1jpg s PHE 56 N -3.24 0.21 0.74 2.43 -0.12 -1.26 -1.84 117.98 114.90 1jpg s PHE 56 Ca 0.08 -0.29 -0.01 0.00 -0.05 0.00 0.00 56.93 56.66 1jpg s PHE 56 Cb 0.03 -0.14 0.14 0.00 -0.63 0.00 0.00 43.02 42.42 1jpg s PHE 56 CO -0.04 -0.09 1.02 -1.54 -0.05 0.00 0.00 175.22 174.52 1jpg s SER 57 N -0.79 4.23 0.61 1.98 1.04 -0.04 -4.94 113.70 115.78 1jpg s SER 57 Ca -0.08 -0.43 0.29 0.00 0.48 0.00 0.00 55.95 56.22 1jpg s SER 57 Cb -0.05 0.11 1.56 0.00 0.10 0.00 0.00 66.02 67.74 1jpg s SER 57 CO -0.00 -1.95 1.95 0.11 0.98 0.00 0.00 173.24 174.32 1jpg h LYS 58 N -0.59 0.00 -0.76 4.02 1.57 -2.02 -0.16 116.57 118.62 1jpg h LYS 58 Ca -0.35 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.42 1jpg h LYS 58 Cb 1.26 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.57 1jpg h LYS 58 CO 0.38 0.00 0.01 -0.40 -0.57 0.00 0.00 179.45 178.87 1jpg n ASP 59 N -3.52 3.82 0.00 0.86 5.75 -1.26 -4.90 116.55 117.30 1jpg n ASP 59 Ca 0.04 -2.57 0.00 0.00 -0.01 0.00 0.00 54.79 52.25 1jpg n ASP 59 Cb 0.52 -0.62 0.00 0.00 -1.03 0.00 0.00 41.12 39.99 1jpg n ASP 59 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1jpg n TRP 60 N 0.35 0.00 -2.13 2.11 7.02 -0.07 -5.01 117.44 119.70 1jpg n TRP 60 Ca 0.17 0.00 -0.34 0.00 -1.02 0.00 0.00 57.50 56.31 1jpg n TRP 60 Cb 0.83 -0.17 0.01 0.00 -2.42 0.00 0.00 31.31 29.56 1jpg n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 1jpg s SER 61 N -1.94 5.65 0.17 -0.99 1.04 -1.26 -4.70 113.70 111.67 1jpg s SER 61 Ca 0.00 2.04 0.02 0.00 0.48 0.00 0.00 55.95 58.49 1jpg s SER 61 Cb 0.00 -2.56 -0.04 0.00 0.10 0.00 0.00 66.02 63.52 1jpg s SER 61 CO 0.00 -1.26 0.31 -0.36 0.98 0.00 0.00 173.24 172.91 1jpg s PHE 62 N -2.06 3.48 0.01 5.02 0.40 -0.34 -0.86 117.98 123.63 1jpg s PHE 62 Ca 0.69 0.12 -0.04 0.00 -0.60 0.00 0.00 56.93 57.10 1jpg s PHE 62 Cb -0.21 -1.67 -0.01 0.00 0.51 0.00 0.00 43.02 41.64 1jpg s PHE 62 CO 0.31 0.49 0.06 1.52 0.70 0.00 0.00 175.22 178.30 1jpg s TYR 63 N -1.79 0.15 0.02 0.36 1.13 -0.77 -2.48 117.35 113.98 1jpg s TYR 63 Ca 0.35 -0.34 -0.14 0.00 -1.41 0.00 0.00 57.07 55.53 1jpg s TYR 63 Cb -0.11 -0.12 0.02 0.00 -1.10 0.00 0.00 41.96 40.65 1jpg s TYR 63 CO 0.29 -0.25 0.30 -1.50 -2.51 0.00 0.00 175.55 171.88 1jpg s ILE 64 N -1.48 0.07 -0.26 -3.49 2.07 0.45 -3.62 121.20 114.94 1jpg s ILE 64 Ca -0.15 -0.62 -0.00 0.00 -1.41 0.00 0.00 60.65 58.47 1jpg s ILE 64 Cb -0.08 -0.82 0.04 0.00 0.13 0.00 0.00 42.46 41.73 1jpg s ILE 64 CO 0.00 -0.34 -0.07 -0.22 -1.91 0.00 0.00 174.94 172.40 1jpg s LEU 65 N -1.79 3.41 -0.13 8.50 2.96 -1.26 -1.00 118.68 129.37 1jpg s LEU 65 Ca -0.08 -1.14 -0.06 0.00 -0.22 0.00 0.00 54.13 52.63 1jpg s LEU 65 Cb -0.02 -1.63 -0.04 0.00 0.50 0.00 0.00 46.19 45.00 1jpg s LEU 65 CO -0.01 -0.18 0.10 0.00 -1.32 0.00 0.00 176.35 174.95 1jpg s ALA 66 N 1.23 3.70 0.11 5.97 0.00 0.54 -1.44 121.76 131.87 1jpg s ALA 66 Ca -0.04 -0.69 -0.11 0.00 0.00 0.00 0.00 51.96 51.12 1jpg s ALA 66 Cb -0.18 -1.88 0.01 0.00 0.00 0.00 0.00 23.12 21.07 1jpg s ALA 66 CO -0.04 0.53 0.28 -3.38 0.00 0.00 0.00 175.76 173.15 1jpg s HIS 67 N -0.75 0.05 0.09 0.00 -3.43 -0.82 0.38 115.29 110.81 1jpg s HIS 67 Ca 0.13 -0.43 -0.20 0.00 -0.80 0.00 0.00 55.06 53.76 1jpg s HIS 67 Cb -0.12 0.06 0.05 0.00 -1.43 0.00 0.00 32.58 31.14 1jpg s HIS 67 CO 0.03 -0.62 0.47 -0.08 -2.00 0.00 0.00 174.74 172.54 1jpg s THR 68 N -3.85 0.04 0.30 -5.38 -1.32 -0.73 -0.81 115.64 103.89 1jpg s THR 68 Ca 0.05 -0.35 -0.28 0.00 -1.21 0.00 0.00 61.69 59.90 1jpg s THR 68 Cb 0.04 -1.04 -0.09 0.00 -1.51 0.00 0.00 72.50 69.89 1jpg s THR 68 CO -0.10 -0.20 1.01 -1.61 -2.21 0.00 0.00 174.62 171.52 1jpg s GLU 69 N -3.10 4.61 0.13 7.08 2.02 -1.26 -0.51 118.70 127.67 1jpg s GLU 69 Ca -0.02 1.57 -0.18 0.00 0.02 0.00 0.00 54.97 56.36 1jpg s GLU 69 Cb 0.00 -3.03 0.05 0.00 0.10 0.00 0.00 34.13 31.25 1jpg s GLU 69 CO -0.07 0.25 0.46 -0.59 0.02 0.00 0.00 175.26 175.34 1jpg s PHE 70 N -1.34 -0.31 -0.30 1.61 -0.71 -0.94 -4.84 117.98 111.16 1jpg s PHE 70 Ca 0.47 0.05 -0.00 0.00 -1.04 0.00 0.00 56.93 56.41 1jpg s PHE 70 Cb -0.26 0.35 0.09 0.00 -1.21 0.00 0.00 43.02 41.99 1jpg s PHE 70 CO 0.33 -0.73 0.08 0.99 -1.34 0.00 0.00 175.22 174.54 1jpg s THR 71 N -3.66 1.02 0.69 -4.49 2.01 -1.26 -1.22 115.64 108.72 1jpg s THR 71 Ca 0.02 -1.39 -0.17 0.00 0.31 0.00 0.00 61.69 60.46 1jpg s THR 71 Cb 0.01 -1.71 0.01 0.00 0.01 0.00 0.00 72.50 70.82 1jpg s THR 71 CO -0.11 -0.58 1.23 -0.81 -0.69 0.00 0.00 174.62 173.66 1jpg n PRO 72 N 4.80 0.86 -4.23 4.92 -0.04 -1.26 -4.75 135.00 135.29 1jpg n PRO 72 Ca -0.03 0.35 -0.17 0.00 -0.04 0.00 0.00 63.50 63.61 1jpg n PRO 72 Cb 0.43 -2.47 -0.08 0.00 -0.04 0.00 0.00 33.50 31.34 1jpg n PRO 72 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1jpg s THR 73 N -1.58 0.00 0.26 0.52 -4.23 -1.26 -0.92 115.64 108.42 1jpg s THR 73 Ca 0.80 -1.92 0.06 0.00 -1.18 0.00 0.00 61.69 59.44 1jpg s THR 73 Cb -0.36 -2.52 -0.02 0.00 1.34 0.00 0.00 72.50 70.94 1jpg s THR 73 CO 0.44 0.00 1.60 -0.08 -0.54 0.00 0.00 174.62 176.04 1jpg h GLU 74 N 2.23 0.21 0.03 3.99 4.81 -1.97 -3.38 114.58 120.50 1jpg h GLU 74 Ca -0.28 -0.13 -0.38 0.00 -0.13 0.00 0.00 59.36 58.44 1jpg h GLU 74 Cb 1.24 0.02 -0.06 0.00 0.63 0.00 0.00 28.75 30.58 1jpg h GLU 74 CO 0.40 0.71 -2.31 -2.37 -0.73 0.00 0.00 179.01 174.71 1jpg n THR 75 N -3.90 1.55 -1.88 0.32 5.66 -1.26 -5.00 114.28 109.77 1jpg n THR 75 Ca -0.02 -0.65 -0.39 0.00 -3.05 0.00 0.00 64.05 59.94 1jpg n THR 75 Cb 0.58 -1.33 0.02 0.00 -1.55 0.00 0.00 70.33 68.05 1jpg n THR 75 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 1jpg s ASP 76 N -6.47 5.88 -0.08 1.09 1.01 -1.26 -5.03 116.67 111.81 1jpg s ASP 76 Ca -0.27 2.80 0.03 0.00 0.71 0.00 0.00 52.55 55.82 1jpg s ASP 76 Cb 0.08 -2.64 -0.01 0.00 1.01 0.00 0.00 42.92 41.35 1jpg s ASP 76 CO 0.69 -1.16 -0.18 0.42 0.21 0.00 0.00 175.17 175.14 1jpg s THR 77 N -1.25 2.62 0.07 -1.27 -4.23 -1.26 -4.78 115.64 105.54 1jpg s THR 77 Ca 0.62 -0.85 0.09 0.00 -1.18 0.00 0.00 61.69 60.37 1jpg s THR 77 Cb -0.41 -2.03 -0.03 0.00 1.34 0.00 0.00 72.50 71.37 1jpg s THR 77 CO 0.52 0.56 -0.23 -0.31 -0.54 0.00 0.00 174.62 174.62 1jpg s TYR 78 N -0.09 2.42 0.17 3.99 1.51 -1.26 -0.33 117.35 123.76 1jpg s TYR 78 Ca -0.04 -0.34 -0.10 0.00 -1.01 0.00 0.00 57.07 55.58 1jpg s TYR 78 Cb -0.14 -1.38 -0.00 0.00 -0.11 0.00 0.00 41.96 40.33 1jpg s TYR 78 CO 0.04 0.24 0.33 0.00 -1.11 0.00 0.00 175.55 175.05 1jpg s ALA 79 N -0.94 -0.16 -0.09 3.71 0.00 0.05 -0.50 121.76 123.84 1jpg s ALA 79 Ca 0.14 -0.78 0.02 0.00 0.00 0.00 0.00 51.96 51.34 1jpg s ALA 79 Cb -0.10 0.87 0.01 0.00 0.00 0.00 0.00 23.12 23.90 1jpg s ALA 79 CO 0.05 -0.68 -0.15 0.00 0.00 0.00 0.00 175.76 174.98 1jpg s ARG 81 N 0.76 3.09 -0.20 0.00 3.52 0.19 0.51 118.95 126.83 1jpg s ARG 81 Ca -0.12 -0.79 -0.04 0.00 -0.13 0.00 0.00 55.73 54.66 1jpg s ARG 81 Cb -0.16 -2.63 -0.02 0.00 -1.56 0.00 0.00 34.95 30.59 1jpg s ARG 81 CO 0.02 -0.15 -0.04 0.08 -0.81 0.00 0.00 175.30 174.41 1jpg s VAL 82 N 1.18 3.57 -0.29 7.11 1.01 0.14 0.41 120.40 133.54 1jpg s VAL 82 Ca 0.02 -0.44 -0.06 0.00 0.00 0.00 0.00 61.98 61.50 1jpg s VAL 82 Cb -0.14 -2.61 0.01 0.00 0.00 0.00 0.00 36.38 33.64 1jpg s VAL 82 CO -0.08 0.44 0.06 -0.75 0.00 0.00 0.00 175.10 174.78 1jpg s LYS 83 N 1.11 3.09 -0.04 2.72 2.47 0.21 -1.74 119.74 127.55 1jpg s LYS 83 Ca 0.02 -0.85 -0.05 0.00 -1.56 0.00 0.00 55.97 53.52 1jpg s LYS 83 Cb -0.15 -3.33 0.01 0.00 -1.46 0.00 0.00 37.83 32.91 1jpg s LYS 83 CO 0.00 -0.43 0.14 -1.58 0.16 0.00 0.00 175.35 173.64 1jpg s HIS 84 N 1.48 -0.11 0.62 4.03 2.46 -1.26 -0.25 115.29 122.26 1jpg s HIS 84 Ca 0.02 0.25 0.29 0.00 0.47 0.00 0.00 55.06 56.10 1jpg s HIS 84 Cb -0.17 0.03 1.55 0.00 -0.13 0.00 0.00 32.58 33.85 1jpg s HIS 84 CO 0.02 -0.12 1.93 -0.44 -2.47 0.00 0.00 174.74 173.65 1jpg h ASP 85 N 5.56 0.00 0.00 9.88 3.32 -1.94 -1.02 116.42 132.22 1jpg h ASP 85 Ca -0.26 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.79 1jpg h ASP 85 Cb 1.20 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.75 1jpg h ASP 85 CO 0.42 0.00 0.00 -1.54 -1.72 0.00 0.00 179.24 176.40 1jpg n SER 86 N -3.42 0.00 -3.99 6.45 3.41 -1.26 -4.70 113.62 110.11 1jpg n SER 86 Ca 0.04 -1.11 -0.21 0.00 -0.26 0.00 0.00 58.87 57.33 1jpg n SER 86 Cb 0.52 0.00 -0.16 0.00 -0.26 0.00 0.00 64.21 64.32 1jpg n SER 86 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 1jpg s MET 87 N -2.00 1.10 0.00 4.33 -1.94 -0.39 -4.72 119.30 115.68 1jpg s MET 87 Ca 0.40 -0.30 0.25 0.00 -1.71 0.00 0.00 55.69 54.33 1jpg s MET 87 Cb 0.18 -1.00 1.52 0.00 2.01 0.00 0.00 34.83 37.54 1jpg s MET 87 CO 0.31 0.07 1.92 0.00 -0.01 0.00 0.00 175.02 177.31 1jpg n ALA 88 N 3.50 2.55 -3.45 3.03 0.00 -1.26 -4.70 120.51 120.18 1jpg n ALA 88 Ca -0.20 -0.16 -0.17 0.00 0.00 0.00 0.00 53.44 52.91 1jpg n ALA 88 Cb 0.53 -1.41 -0.07 0.00 0.00 0.00 0.00 19.45 18.50 1jpg n ALA 88 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1jpg s GLU 89 N -2.00 0.94 0.73 0.00 1.03 -1.26 -5.16 118.70 112.98 1jpg s GLU 89 Ca 0.38 0.19 -0.12 0.00 0.03 0.00 0.00 54.97 55.45 1jpg s GLU 89 Cb 0.18 0.44 0.04 0.00 -0.80 0.00 0.00 34.13 33.98 1jpg s GLU 89 CO 0.29 -0.28 1.10 -1.25 -1.33 0.00 0.00 175.26 173.80 1jpg s PRO 90 N -1.12 2.42 -0.13 -4.83 0.04 -1.26 -4.86 135.00 125.26 1jpg s PRO 90 Ca -0.11 1.28 0.01 0.00 0.04 0.00 0.00 61.00 62.22 1jpg s PRO 90 Cb -0.02 -1.91 -0.00 0.00 0.04 0.00 0.00 34.50 32.61 1jpg s PRO 90 CO 0.08 -1.53 -0.18 0.21 0.04 0.00 0.00 177.00 175.62 1jpg s LYS 91 N -4.56 3.20 -0.14 4.56 2.20 -0.71 -4.94 119.74 119.35 1jpg s LYS 91 Ca 0.64 -0.78 -0.01 0.00 -0.36 0.00 0.00 55.97 55.46 1jpg s LYS 91 Cb -0.19 -2.51 -0.02 0.00 -1.51 0.00 0.00 37.83 33.60 1jpg s LYS 91 CO 0.50 0.13 -0.10 0.99 -0.36 0.00 0.00 175.35 176.51 1jpg s THR 92 N 0.53 3.31 -0.11 3.43 2.01 -1.26 -0.68 115.64 122.87 1jpg s THR 92 Ca -0.11 -0.57 0.03 0.00 0.31 0.00 0.00 61.69 61.35 1jpg s THR 92 Cb -0.16 -2.41 0.01 0.00 0.01 0.00 0.00 72.50 69.94 1jpg s THR 92 CO 0.04 0.51 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.59 1jpg s VAL 93 N 0.37 1.82 0.37 3.82 1.01 0.18 -4.94 120.40 123.04 1jpg s VAL 93 Ca -0.09 -0.86 -0.15 0.00 0.00 0.00 0.00 61.98 60.88 1jpg s VAL 93 Cb -0.15 -1.61 -0.09 0.00 0.00 0.00 0.00 36.38 34.53 1jpg s VAL 93 CO 0.05 0.51 0.79 -0.31 0.00 0.00 0.00 175.10 176.13 1jpg s TYR 94 N 0.62 3.39 -0.08 5.22 1.51 -1.26 -0.10 117.35 126.66 1jpg s TYR 94 Ca -0.13 1.25 -0.30 0.00 -1.01 0.00 0.00 57.07 56.89 1jpg s TYR 94 Cb -0.16 -2.58 -0.02 0.00 -0.11 0.00 0.00 41.96 39.09 1jpg s TYR 94 CO 0.04 -0.01 1.04 -0.46 -1.11 0.00 0.00 175.55 175.05 1jpg s TRP 95 N -2.13 3.48 -0.25 2.71 -0.00 0.34 -4.82 118.94 118.27 1jpg s TRP 95 Ca 0.55 1.54 -0.00 0.00 -0.00 0.00 0.00 56.10 58.19 1jpg s TRP 95 Cb -0.10 -3.22 0.04 0.00 -0.00 0.00 0.00 33.47 30.19 1jpg s TRP 95 CO 0.20 -0.40 -0.08 0.34 -0.00 0.00 0.00 176.95 177.02 1jpg s ASP 96 N 1.14 4.34 0.43 5.86 -1.08 -1.26 -4.74 116.67 121.36 1jpg s ASP 96 Ca 0.50 -1.08 0.23 0.00 -0.52 0.00 0.00 52.55 51.68 1jpg s ASP 96 Cb -0.20 -1.62 1.22 0.00 -1.46 0.00 0.00 42.92 40.86 1jpg s ASP 96 CO 0.20 -0.16 1.77 -0.09 0.52 0.00 0.00 175.17 177.42 1jpg h ARG 97 N 7.93 0.28 -0.04 4.34 2.43 -1.95 0.23 114.38 127.60 1jpg h ARG 97 Ca -0.28 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.87 1jpg h ARG 97 Cb 1.08 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.57 1jpg h ARG 97 CO 0.54 0.19 0.00 -0.25 -1.51 0.00 0.00 179.97 178.94 1jpg n ASP 98 N -4.53 0.44 0.00 -3.80 8.00 -1.26 -4.94 116.55 110.46 1jpg n ASP 98 Ca 0.26 -1.42 0.00 0.00 0.71 0.00 0.00 54.79 54.34 1jpg n ASP 98 Cb 0.98 -0.02 0.00 0.00 -0.02 0.00 0.00 41.12 42.05 1jpg n ASP 98 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04