#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ol3 s ILE 1 N 0.00 4.78 -0.05 3.17 2.07 -1.26 -5.09 121.20 124.82 2ol3 s ILE 1 Ca 0.00 0.95 -0.11 0.00 -1.41 0.00 0.00 60.65 60.08 2ol3 s ILE 1 Cb 0.00 -3.77 -0.05 0.00 0.13 0.00 0.00 42.46 38.78 2ol3 s ILE 1 CO 0.00 0.23 0.28 -1.10 -1.91 0.00 0.00 174.94 172.44 2ol3 s GLN 2 N -1.98 3.69 -0.16 3.50 -0.21 -1.26 -4.88 119.66 118.36 2ol3 s GLN 2 Ca 0.39 0.15 -0.01 0.00 0.02 0.00 0.00 55.36 55.92 2ol3 s GLN 2 Cb -0.15 -3.20 -0.01 0.00 1.00 0.00 0.00 33.01 30.65 2ol3 s GLN 2 CO 0.20 0.73 -0.13 0.15 -2.12 0.00 0.00 175.29 174.12 2ol3 s LYS 3 N -1.08 3.29 0.38 2.91 1.02 -0.64 -4.97 119.74 120.65 2ol3 s LYS 3 Ca 0.20 -0.71 -0.25 0.00 0.02 0.00 0.00 55.97 55.22 2ol3 s LYS 3 Cb -0.14 -2.69 -0.09 0.00 -0.52 0.00 0.00 37.83 34.39 2ol3 s LYS 3 CO 0.09 0.03 1.12 0.95 -0.92 0.00 0.00 175.35 176.63 2ol3 s THR 4 N 0.80 3.37 1.05 2.17 -4.23 -1.26 -2.06 115.64 115.48 2ol3 s THR 4 Ca -0.05 1.15 -0.12 0.00 -1.18 0.00 0.00 61.69 61.49 2ol3 s THR 4 Cb -0.15 -3.64 0.22 0.00 1.34 0.00 0.00 72.50 70.27 2ol3 s THR 4 CO 0.01 0.10 1.07 -2.84 -0.54 0.00 0.00 174.62 172.41 2ol3 s PRO 5 N -2.25 -0.03 -0.21 3.99 0.02 -1.26 -4.39 135.00 130.87 2ol3 s PRO 5 Ca 0.56 0.98 -0.02 0.00 0.02 0.00 0.00 61.00 62.53 2ol3 s PRO 5 Cb -0.28 -1.65 0.06 0.00 0.02 0.00 0.00 34.50 32.65 2ol3 s PRO 5 CO 0.35 -3.17 0.03 -0.65 -0.33 0.00 0.00 177.00 173.23 2ol3 s GLN 6 N -4.62 0.79 0.17 5.54 -1.52 0.07 -4.96 119.66 115.14 2ol3 s GLN 6 Ca 0.67 -0.54 -0.07 0.00 -1.95 0.00 0.00 55.36 53.48 2ol3 s GLN 6 Cb -0.23 -2.17 -0.06 0.00 -0.22 0.00 0.00 33.01 30.33 2ol3 s GLN 6 CO 0.61 -0.65 0.43 0.42 -0.25 0.00 0.00 175.29 175.85 2ol3 s ILE 7 N 1.78 5.09 -0.28 1.08 1.01 -1.26 -2.32 121.20 126.29 2ol3 s ILE 7 Ca -0.01 0.20 0.01 0.00 0.00 0.00 0.00 60.65 60.85 2ol3 s ILE 7 Cb -0.17 -3.62 0.16 0.00 0.01 0.00 0.00 42.46 38.83 2ol3 s ILE 7 CO -0.09 0.02 0.43 -1.58 0.00 0.00 0.00 174.94 173.72 2ol3 s GLN 8 N -2.66 0.42 -0.19 2.79 0.74 -0.13 -4.99 119.66 115.65 2ol3 s GLN 8 Ca 0.43 0.30 -0.09 0.00 0.05 0.00 0.00 55.36 56.05 2ol3 s GLN 8 Cb -0.12 -0.24 -0.05 0.00 1.10 0.00 0.00 33.01 33.70 2ol3 s GLN 8 CO 0.23 -0.93 0.10 0.54 -0.55 0.00 0.00 175.29 174.68 2ol3 s VAL 9 N 2.59 5.16 0.11 1.34 0.11 -1.26 -0.31 120.40 128.13 2ol3 s VAL 9 Ca 0.11 0.10 -0.25 0.00 -2.93 0.00 0.00 61.98 59.01 2ol3 s VAL 9 Cb -0.13 -3.34 0.07 0.00 -1.53 0.00 0.00 36.38 31.46 2ol3 s VAL 9 CO -0.26 0.45 0.79 -0.72 -3.33 0.00 0.00 175.10 172.02 2ol3 s TYR 10 N 0.32 -0.35 0.32 1.54 -0.85 -0.36 -4.57 117.35 113.40 2ol3 s TYR 10 Ca 0.06 0.12 -0.06 0.00 -0.52 0.00 0.00 57.07 56.68 2ol3 s TYR 10 Cb -0.12 0.59 -0.05 0.00 0.38 0.00 0.00 41.96 42.76 2ol3 s TYR 10 CO -0.01 -0.78 0.60 -1.54 -1.52 0.00 0.00 175.55 172.30 2ol3 s SER 11 N -2.71 6.44 0.02 -0.18 1.04 -1.26 -0.93 113.70 116.12 2ol3 s SER 11 Ca 0.06 0.78 -0.23 0.00 0.48 0.00 0.00 55.95 57.04 2ol3 s SER 11 Cb -0.02 -2.17 -0.17 0.00 0.10 0.00 0.00 66.02 63.76 2ol3 s SER 11 CO -0.06 -0.25 1.33 -0.09 0.98 0.00 0.00 173.24 175.15 2ol3 h ARG 12 N 1.50 0.19 -6.17 4.02 2.43 -1.39 -3.45 114.38 111.52 2ol3 h ARG 12 Ca -0.48 -0.09 -0.55 0.00 -0.81 0.00 0.00 59.98 58.05 2ol3 h ARG 12 Cb 1.19 -0.00 -0.09 0.00 -0.42 0.00 0.00 29.97 30.65 2ol3 h ARG 12 CO 0.65 0.59 -0.61 -1.01 -1.51 0.00 0.00 179.97 178.09 2ol3 s HIS 13 N -4.39 2.71 0.18 2.20 3.76 -1.26 -5.05 115.29 113.44 2ol3 s HIS 13 Ca -0.15 -0.27 -0.33 0.00 -0.15 0.00 0.00 55.06 54.17 2ol3 s HIS 13 Cb 0.04 -1.33 -0.13 0.00 1.11 0.00 0.00 32.58 32.27 2ol3 s HIS 13 CO 0.71 0.54 1.66 -0.35 -0.85 0.00 0.00 174.74 176.45 2ol3 n PRO 14 N -0.98 2.46 -1.50 8.40 -0.04 -1.26 -4.83 135.00 137.25 2ol3 n PRO 14 Ca -0.06 0.89 -0.44 0.00 -0.04 0.00 0.00 63.50 63.85 2ol3 n PRO 14 Cb 0.60 -2.70 -0.07 0.00 -0.04 0.00 0.00 33.50 31.29 2ol3 n PRO 14 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 2ol3 n PRO 15 N 3.77 0.97 -3.54 0.54 -0.04 -1.26 -4.91 135.00 130.53 2ol3 n PRO 15 Ca 0.17 0.18 -0.41 0.00 -0.04 0.00 0.00 63.50 63.40 2ol3 n PRO 15 Cb 0.32 -2.65 -0.07 0.00 -0.04 0.00 0.00 33.50 31.06 2ol3 n PRO 15 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 2ol3 s GLU 16 N 7.26 2.77 0.01 0.54 2.56 -1.26 -5.06 118.70 125.53 2ol3 s GLU 16 Ca 1.10 -2.12 -0.39 0.00 0.00 0.00 0.00 54.97 53.56 2ol3 s GLU 16 Cb -0.69 -4.00 -0.19 0.00 2.00 0.00 0.00 34.13 31.25 2ol3 s GLU 16 CO 0.41 -1.22 1.15 0.09 -0.56 0.00 0.00 175.26 175.14 2ol3 n ASN 17 N 4.35 0.44 0.00 -1.70 3.02 -1.26 -0.26 115.26 119.84 2ol3 n ASN 17 Ca 0.01 1.15 0.00 0.00 -0.03 0.00 0.00 54.58 55.71 2ol3 n ASN 17 Cb 0.41 -0.99 0.00 0.00 -0.61 0.00 0.00 39.78 38.59 2ol3 n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2ol3 n GLY 18 N 1.80 2.27 3.75 7.41 0.00 0.54 -5.00 105.19 115.96 2ol3 n GLY 18 Ca 0.20 -0.49 -0.40 0.00 0.00 0.00 0.00 46.02 45.32 2ol3 n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ol3 s LYS 19 N 0.00 4.73 0.46 1.61 3.01 0.64 -4.86 119.74 125.33 2ol3 s LYS 19 Ca 0.00 1.38 -0.25 0.00 -1.01 0.00 0.00 55.97 56.09 2ol3 s LYS 19 Cb 0.00 -3.31 -0.08 0.00 -1.01 0.00 0.00 37.83 33.43 2ol3 s LYS 19 CO 0.00 0.43 1.39 -1.25 0.51 0.00 0.00 175.35 176.42 2ol3 s PRO 20 N -0.75 3.62 0.33 -1.68 0.04 -1.26 -4.19 135.00 131.11 2ol3 s PRO 20 Ca 0.41 2.32 -0.10 0.00 0.04 0.00 0.00 61.00 63.68 2ol3 s PRO 20 Cb -0.24 -2.58 0.02 0.00 0.04 0.00 0.00 34.50 31.73 2ol3 s PRO 20 CO 0.29 -0.83 0.57 1.21 0.04 0.00 0.00 177.00 178.29 2ol3 s ASN 21 N -0.66 0.35 -0.18 6.66 3.84 0.18 -4.98 114.94 120.17 2ol3 s ASN 21 Ca 0.63 -1.21 -0.03 0.00 0.21 0.00 0.00 52.86 52.46 2ol3 s ASN 21 Cb -0.42 0.70 -0.02 0.00 -0.55 0.00 0.00 41.25 40.97 2ol3 s ASN 21 CO 0.53 -1.37 -0.06 -0.63 -2.79 0.00 0.00 177.10 172.78 2ol3 s ILE 22 N -3.13 3.48 -0.29 -5.21 -1.09 -1.26 0.62 121.20 114.32 2ol3 s ILE 22 Ca 0.23 -0.48 -0.12 0.00 -2.23 0.00 0.00 60.65 58.05 2ol3 s ILE 22 Cb -0.02 -2.54 -0.04 0.00 -1.58 0.00 0.00 42.46 38.28 2ol3 s ILE 22 CO 0.14 0.47 0.23 -0.22 -1.23 0.00 0.00 174.94 174.33 2ol3 s LEU 23 N 0.86 4.12 -0.07 2.97 2.96 -1.13 -0.86 118.68 127.54 2ol3 s LEU 23 Ca -0.01 -0.05 -0.04 0.00 -0.22 0.00 0.00 54.13 53.81 2ol3 s LEU 23 Cb -0.15 -2.17 -0.04 0.00 0.50 0.00 0.00 46.19 44.33 2ol3 s LEU 23 CO 0.01 -0.11 0.10 0.20 -1.32 0.00 0.00 176.35 175.23 2ol3 s ASN 24 N 1.74 5.96 -0.47 3.68 0.02 -0.11 -2.13 114.94 123.63 2ol3 s ASN 24 Ca 0.08 0.31 0.03 0.00 -1.02 0.00 0.00 52.86 52.25 2ol3 s ASN 24 Cb -0.16 -1.82 0.13 0.00 0.02 0.00 0.00 41.25 39.42 2ol3 s ASN 24 CO 0.11 0.35 0.25 0.00 0.02 0.00 0.00 177.10 177.83 2ol3 s TYR 26 N 0.14 3.39 -0.10 0.00 5.04 0.57 -2.79 117.35 123.61 2ol3 s TYR 26 Ca 0.18 1.29 0.04 0.00 -2.44 0.00 0.00 57.07 56.14 2ol3 s TYR 26 Cb -0.24 -3.08 0.00 0.00 0.35 0.00 0.00 41.96 38.99 2ol3 s TYR 26 CO -0.00 -0.31 -0.22 0.08 -1.34 0.00 0.00 175.55 173.76 2ol3 s VAL 27 N 2.44 1.96 0.32 3.14 1.01 -0.84 -0.95 120.40 127.48 2ol3 s VAL 27 Ca 0.39 -0.95 -0.05 0.00 0.00 0.00 0.00 61.98 61.37 2ol3 s VAL 27 Cb -0.16 -1.70 0.00 0.00 0.00 0.00 0.00 36.38 34.52 2ol3 s VAL 27 CO 0.11 0.54 0.47 0.42 0.00 0.00 0.00 175.10 176.64 2ol3 s THR 28 N 0.47 0.00 -1.39 3.92 -4.23 -0.98 -0.89 115.64 112.53 2ol3 s THR 28 Ca -0.16 -1.55 0.00 0.00 -1.18 0.00 0.00 61.69 58.79 2ol3 s THR 28 Cb -0.17 -2.57 0.00 0.00 1.34 0.00 0.00 72.50 71.10 2ol3 s THR 28 CO 0.06 0.00 0.00 0.00 -0.54 0.00 0.00 174.62 174.14 2ol3 n GLN 29 N -0.52 -0.92 -3.94 3.99 1.13 -0.99 -0.75 117.38 115.38 2ol3 n GLN 29 Ca 0.00 0.96 -0.22 0.00 -1.94 0.00 0.00 57.00 55.80 2ol3 n GLN 29 Cb 0.62 -5.02 -0.05 0.00 0.11 0.00 0.00 30.24 25.90 2ol3 n GLN 29 CO 0.00 0.00 0.00 -0.59 -1.44 0.00 0.00 177.06 175.03 2ol3 s PHE 30 N -2.50 2.84 -0.30 1.08 -0.71 -1.19 -4.28 117.98 112.92 2ol3 s PHE 30 Ca 0.00 -0.32 -0.21 0.00 -1.04 0.00 0.00 56.93 55.36 2ol3 s PHE 30 Cb 0.00 -1.71 0.19 0.00 -1.21 0.00 0.00 43.02 40.29 2ol3 s PHE 30 CO 0.00 0.26 1.30 -1.58 -1.34 0.00 0.00 175.22 173.87 2ol3 s HIS 31 N -2.34 -0.15 1.24 3.49 2.46 -0.87 -0.86 115.29 118.25 2ol3 s HIS 31 Ca 0.39 0.33 -0.17 0.00 0.47 0.00 0.00 55.06 56.08 2ol3 s HIS 31 Cb -0.05 0.32 0.30 0.00 -0.13 0.00 0.00 32.58 33.02 2ol3 s HIS 31 CO 0.25 -0.07 1.02 -1.25 -2.47 0.00 0.00 174.74 172.22 2ol3 s PRO 32 N 0.48 -1.47 0.00 2.88 0.04 -1.26 -1.63 135.00 134.04 2ol3 s PRO 32 Ca 0.01 0.35 0.22 0.00 0.04 0.00 0.00 61.00 61.62 2ol3 s PRO 32 Cb -0.04 -1.53 1.14 0.00 0.04 0.00 0.00 34.50 34.11 2ol3 s PRO 32 CO -0.13 -3.97 1.70 -0.35 0.04 0.00 0.00 177.00 174.30 2ol3 n PRO 33 N -5.02 0.38 -2.29 0.56 -0.04 -1.26 -4.74 135.00 122.59 2ol3 n PRO 33 Ca 0.08 0.07 -0.43 0.00 -0.04 0.00 0.00 63.50 63.18 2ol3 n PRO 33 Cb 0.58 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.51 2ol3 n PRO 33 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 2ol3 s HIS 34 N -2.47 2.31 -0.12 0.54 3.76 -1.26 -4.97 115.29 113.08 2ol3 s HIS 34 Ca 0.23 0.67 -0.13 0.00 -0.15 0.00 0.00 55.06 55.68 2ol3 s HIS 34 Cb 0.15 -4.27 0.03 0.00 1.11 0.00 0.00 32.58 29.61 2ol3 s HIS 34 CO 0.32 -2.14 0.36 -1.50 -0.85 0.00 0.00 174.74 170.92 2ol3 s ILE 35 N 5.62 0.01 -0.28 0.60 2.07 -1.26 -4.53 121.20 123.42 2ol3 s ILE 35 Ca 0.64 -0.06 -0.04 0.00 -1.41 0.00 0.00 60.65 59.78 2ol3 s ILE 35 Cb -0.15 -0.52 0.02 0.00 0.13 0.00 0.00 42.46 41.94 2ol3 s ILE 35 CO 0.32 -0.03 0.02 -0.70 -1.91 0.00 0.00 174.94 172.64 2ol3 s GLU 36 N 0.01 2.89 -0.14 3.50 2.12 -0.90 -5.03 118.70 121.15 2ol3 s GLU 36 Ca -0.02 -0.97 -0.00 0.00 0.36 0.00 0.00 54.97 54.34 2ol3 s GLU 36 Cb -0.03 -3.21 -0.01 0.00 0.26 0.00 0.00 34.13 31.14 2ol3 s GLU 36 CO 0.01 -0.46 -0.13 0.42 -0.54 0.00 0.00 175.26 174.56 2ol3 s ILE 37 N 1.40 3.05 -0.01 -3.70 1.01 -1.26 -1.76 121.20 119.93 2ol3 s ILE 37 Ca 0.00 -0.66 -0.02 0.00 0.00 0.00 0.00 60.65 59.98 2ol3 s ILE 37 Cb -0.17 -2.29 -0.00 0.00 0.01 0.00 0.00 42.46 40.01 2ol3 s ILE 37 CO -0.01 0.52 0.04 0.00 0.00 0.00 0.00 174.94 175.49 2ol3 s GLN 38 N 0.43 0.15 -0.18 2.79 -2.07 -0.72 -5.04 119.66 115.02 2ol3 s GLN 38 Ca -0.10 -0.11 -0.04 0.00 -1.82 0.00 0.00 55.36 53.29 2ol3 s GLN 38 Cb -0.16 0.06 -0.03 0.00 -1.09 0.00 0.00 33.01 31.80 2ol3 s GLN 38 CO 0.05 -0.03 -0.02 -1.64 -1.32 0.00 0.00 175.29 172.33 2ol3 s MET 39 N -0.41 3.64 0.00 9.60 -1.94 -1.26 -0.31 119.30 128.61 2ol3 s MET 39 Ca -0.05 -0.52 0.00 0.00 -1.71 0.00 0.00 55.69 53.41 2ol3 s MET 39 Cb -0.03 -3.00 0.00 0.00 2.01 0.00 0.00 34.83 33.81 2ol3 s MET 39 CO -0.00 0.12 0.00 1.28 -0.01 0.00 0.00 175.02 176.41 2ol3 n LEU 40 N 3.91 0.00 -2.86 -0.03 4.32 -0.98 -2.01 117.00 119.34 2ol3 n LEU 40 Ca -0.17 0.00 0.03 0.00 -0.02 0.00 0.00 56.01 55.85 2ol3 n LEU 40 Cb 0.52 0.00 0.01 0.00 -1.62 0.00 0.00 43.42 42.33 2ol3 n LEU 40 CO 0.32 -0.23 0.54 -0.75 -1.22 0.00 0.00 177.39 176.06 2ol3 s LYS 41 N -0.42 0.08 -1.78 3.23 2.20 -1.26 -4.33 119.74 117.47 2ol3 s LYS 41 Ca 0.00 0.00 0.00 0.00 -0.36 0.00 0.00 55.97 55.61 2ol3 s LYS 41 Cb 0.00 0.02 0.00 0.00 -1.51 0.00 0.00 37.83 36.34 2ol3 s LYS 41 CO 0.00 -0.13 0.00 0.09 -0.36 0.00 0.00 175.35 174.95 2ol3 n ASN 42 N 4.08 -5.45 0.00 1.43 4.13 0.34 -0.64 115.26 119.15 2ol3 n ASN 42 Ca 0.07 0.15 0.00 0.00 1.68 0.00 0.00 54.58 56.48 2ol3 n ASN 42 Cb 0.62 -4.63 0.00 0.00 -1.54 0.00 0.00 39.78 34.23 2ol3 n ASN 42 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2ol3 n GLY 43 N -0.80 0.27 0.00 7.41 0.00 -1.26 -5.02 105.19 105.78 2ol3 n GLY 43 Ca -0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.80 2ol3 n GLY 43 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2ol3 n LYS 44 N -1.74 2.05 -2.69 1.61 5.02 0.19 -4.97 118.16 117.62 2ol3 n LYS 44 Ca 0.00 0.00 -0.06 0.00 -2.02 0.00 0.00 58.31 56.23 2ol3 n LYS 44 Cb 0.00 0.00 0.08 0.00 -0.02 0.00 0.00 35.03 35.09 2ol3 n LYS 44 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2ol3 n LYS 45 N 0.00 0.89 -0.44 1.97 5.02 -1.26 -4.20 118.16 120.15 2ol3 n LYS 45 Ca 0.00 -1.51 -0.12 0.00 -2.02 0.00 0.00 58.31 54.65 2ol3 n LYS 45 Cb 0.00 -0.14 -0.04 0.00 -0.02 0.00 0.00 35.03 34.83 2ol3 n LYS 45 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 2ol3 n ILE 46 N -0.44 0.00 -0.22 -0.18 5.41 -0.85 -4.75 119.36 118.33 2ol3 n ILE 46 Ca -0.08 0.00 0.02 0.00 1.00 0.00 0.00 62.75 63.69 2ol3 n ILE 46 Cb 0.78 -0.15 0.13 0.00 -0.71 0.00 0.00 39.64 39.70 2ol3 n ILE 46 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 176.55 175.90 2ol3 h PRO 47 N 3.52 0.34 -6.02 0.38 0.11 -1.99 -3.39 132.00 124.95 2ol3 h PRO 47 Ca -0.01 -0.02 -0.59 0.00 0.11 0.00 0.00 66.00 65.48 2ol3 h PRO 47 Cb 0.39 -0.08 -0.09 0.00 0.11 0.00 0.00 31.00 31.33 2ol3 h PRO 47 CO 0.41 0.22 0.60 0.21 -0.21 0.00 0.00 178.00 179.23 2ol3 s LYS 48 N -6.08 3.97 -0.29 1.05 2.36 -1.26 -4.99 119.74 114.51 2ol3 s LYS 48 Ca -0.13 0.76 0.02 0.00 -2.55 0.00 0.00 55.97 54.07 2ol3 s LYS 48 Cb 0.18 -3.75 0.16 0.00 -1.05 0.00 0.00 37.83 33.38 2ol3 s LYS 48 CO 0.75 -0.81 0.41 0.14 1.55 0.00 0.00 175.35 177.39 2ol3 s VAL 49 N 3.30 -0.64 0.52 4.02 -7.23 -1.26 -4.81 120.40 114.30 2ol3 s VAL 49 Ca 0.38 -0.28 -0.23 0.00 -1.81 0.00 0.00 61.98 60.04 2ol3 s VAL 49 Cb -0.13 -0.98 -0.06 0.00 0.56 0.00 0.00 36.38 35.77 2ol3 s VAL 49 CO 0.15 -0.28 1.39 -1.61 -0.31 0.00 0.00 175.10 174.44 2ol3 s GLU 50 N 2.55 3.28 -0.08 4.82 0.41 -0.77 -4.82 118.70 124.08 2ol3 s GLU 50 Ca 0.10 2.32 -0.01 0.00 -0.41 0.00 0.00 54.97 56.97 2ol3 s GLU 50 Cb -0.12 -2.38 0.03 0.00 -1.78 0.00 0.00 34.13 29.88 2ol3 s GLU 50 CO -0.30 -1.11 -0.02 -1.64 -0.49 0.00 0.00 175.26 171.71 2ol3 s MET 51 N -2.78 0.89 1.01 1.61 -1.94 -1.26 -1.87 119.30 114.95 2ol3 s MET 51 Ca 0.69 -0.01 -0.11 0.00 -1.71 0.00 0.00 55.69 54.55 2ol3 s MET 51 Cb -0.42 -1.15 0.20 0.00 2.01 0.00 0.00 34.83 35.47 2ol3 s MET 51 CO 0.51 -0.28 1.11 -1.54 -0.01 0.00 0.00 175.02 174.81 2ol3 s SER 52 N 1.85 2.18 0.72 3.03 1.04 0.33 -4.97 113.70 117.87 2ol3 s SER 52 Ca 0.04 1.98 -0.13 0.00 0.48 0.00 0.00 55.95 58.32 2ol3 s SER 52 Cb -0.12 -2.49 0.03 0.00 0.10 0.00 0.00 66.02 63.54 2ol3 s SER 52 CO -0.06 -3.53 1.11 -1.81 0.98 0.00 0.00 173.24 169.93 2ol3 s ASP 53 N -2.59 4.75 0.12 7.02 1.01 -1.26 -4.62 116.67 121.10 2ol3 s ASP 53 Ca 0.67 1.93 -0.10 0.00 0.71 0.00 0.00 52.55 55.77 2ol3 s ASP 53 Cb -0.24 -2.54 -0.06 0.00 1.01 0.00 0.00 42.92 41.09 2ol3 s ASP 53 CO 0.60 -1.87 0.44 -0.32 0.21 0.00 0.00 175.17 174.24 2ol3 s MET 54 N -4.47 3.78 0.32 8.23 -2.45 -1.26 -4.67 119.30 118.77 2ol3 s MET 54 Ca 0.64 0.20 -0.02 0.00 -1.25 0.00 0.00 55.69 55.26 2ol3 s MET 54 Cb -0.19 -2.91 -0.01 0.00 1.25 0.00 0.00 34.83 32.97 2ol3 s MET 54 CO 0.49 0.49 0.41 -1.54 1.05 0.00 0.00 175.02 175.92 2ol3 s SER 55 N -1.96 0.85 0.04 1.11 1.04 -1.19 -5.03 113.70 108.56 2ol3 s SER 55 Ca 0.37 -1.46 -0.00 0.00 0.48 0.00 0.00 55.95 55.34 2ol3 s SER 55 Cb -0.13 0.61 -0.03 0.00 0.10 0.00 0.00 66.02 66.56 2ol3 s SER 55 CO 0.20 -1.19 -0.04 0.72 0.98 0.00 0.00 173.24 173.91 2ol3 s PHE 56 N -3.34 0.46 0.49 5.02 -0.12 -1.26 -1.57 117.98 117.65 2ol3 s PHE 56 Ca 0.32 -0.83 -0.03 0.00 -0.05 0.00 0.00 56.93 56.34 2ol3 s PHE 56 Cb 0.01 -0.33 -0.01 0.00 -0.63 0.00 0.00 43.02 42.06 2ol3 s PHE 56 CO 0.19 -0.28 0.76 -1.12 -0.05 0.00 0.00 175.22 174.72 2ol3 s SER 57 N -2.33 5.97 0.00 1.98 0.01 -0.10 -4.94 113.70 114.29 2ol3 s SER 57 Ca -0.02 0.64 0.00 0.00 1.31 0.00 0.00 55.95 57.88 2ol3 s SER 57 Cb 0.00 -1.89 0.00 0.00 0.21 0.00 0.00 66.02 64.35 2ol3 s SER 57 CO -0.06 -0.71 0.53 2.29 0.41 0.00 0.00 173.24 175.71 2ol3 n LYS 58 N -2.24 0.00 -0.35 12.44 2.85 -1.26 0.78 118.16 130.37 2ol3 n LYS 58 Ca 0.01 0.08 0.10 0.00 -1.05 0.00 0.00 58.31 57.45 2ol3 n LYS 58 Cb 0.57 -1.51 0.29 0.00 -0.65 0.00 0.00 35.03 33.72 2ol3 n LYS 58 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 2ol3 n ASP 59 N -1.03 3.80 0.00 -5.58 3.85 -1.26 -4.95 116.55 111.37 2ol3 n ASP 59 Ca 0.00 -2.06 0.00 0.00 -0.71 0.00 0.00 54.79 52.02 2ol3 n ASP 59 Cb 0.01 -0.44 0.00 0.00 -1.35 0.00 0.00 41.12 39.34 2ol3 n ASP 59 CO 0.00 0.00 0.00 0.79 -1.01 0.00 0.00 177.20 176.98 2ol3 n TRP 60 N 1.29 0.00 -2.41 2.11 5.03 0.23 -5.03 117.44 118.66 2ol3 n TRP 60 Ca 0.22 0.00 -0.32 0.00 3.03 0.00 0.00 57.50 60.42 2ol3 n TRP 60 Cb 0.61 0.00 -0.04 0.00 -1.03 0.00 0.00 31.31 30.85 2ol3 n TRP 60 CO 0.00 0.00 0.00 -1.54 -0.03 0.00 0.00 177.69 176.12 2ol3 s SER 61 N -3.15 6.63 0.42 -0.99 1.04 -1.25 -4.73 113.70 111.66 2ol3 s SER 61 Ca 0.00 1.56 0.05 0.00 0.48 0.00 0.00 55.95 58.05 2ol3 s SER 61 Cb 0.00 -2.51 0.01 0.00 0.10 0.00 0.00 66.02 63.62 2ol3 s SER 61 CO 0.00 -0.58 0.58 -0.36 0.98 0.00 0.00 173.24 173.87 2ol3 s PHE 62 N -2.61 2.98 -0.22 5.02 0.40 -0.04 -0.92 117.98 122.59 2ol3 s PHE 62 Ca 0.59 -0.18 -0.22 0.00 -0.60 0.00 0.00 56.93 56.52 2ol3 s PHE 62 Cb -0.10 -2.30 0.06 0.00 0.51 0.00 0.00 43.02 41.19 2ol3 s PHE 62 CO 0.31 -0.35 0.61 1.52 0.70 0.00 0.00 175.22 178.01 2ol3 s TYR 63 N -2.39 -0.67 0.04 0.36 -0.85 -0.61 -2.36 117.35 110.87 2ol3 s TYR 63 Ca 0.51 1.60 -0.06 0.00 -0.52 0.00 0.00 57.07 58.60 2ol3 s TYR 63 Cb -0.10 0.24 -0.01 0.00 0.38 0.00 0.00 41.96 42.47 2ol3 s TYR 63 CO 0.34 -0.34 0.11 -1.50 -1.52 0.00 0.00 175.55 172.64 2ol3 s ILE 64 N 0.22 0.13 -0.19 -3.49 2.07 -0.07 -3.17 121.20 116.69 2ol3 s ILE 64 Ca -0.01 -1.06 -0.00 0.00 -1.41 0.00 0.00 60.65 58.17 2ol3 s ILE 64 Cb -0.04 -0.88 0.02 0.00 0.13 0.00 0.00 42.46 41.68 2ol3 s ILE 64 CO 0.01 -0.59 -0.16 -0.22 -1.91 0.00 0.00 174.94 172.08 2ol3 s LEU 65 N -2.10 2.38 0.04 8.50 2.96 -1.26 -1.98 118.68 127.21 2ol3 s LEU 65 Ca -0.05 -0.63 0.05 0.00 -0.22 0.00 0.00 54.13 53.28 2ol3 s LEU 65 Cb -0.01 -1.55 -0.04 0.00 0.50 0.00 0.00 46.19 45.10 2ol3 s LEU 65 CO -0.04 -0.02 -0.08 0.00 -1.32 0.00 0.00 176.35 174.89 2ol3 s ALA 66 N 1.33 2.97 0.30 5.97 0.00 -1.12 -0.51 121.76 130.69 2ol3 s ALA 66 Ca 0.05 -1.11 -0.15 0.00 0.00 0.00 0.00 51.96 50.74 2ol3 s ALA 66 Cb -0.14 -1.02 0.02 0.00 0.00 0.00 0.00 23.12 21.98 2ol3 s ALA 66 CO -0.10 0.62 0.62 -3.38 0.00 0.00 0.00 175.76 173.52 2ol3 s HIS 67 N -1.08 0.21 -0.30 0.00 -3.43 -0.78 0.69 115.29 110.60 2ol3 s HIS 67 Ca 0.19 -0.65 -0.13 0.00 -0.80 0.00 0.00 55.06 53.67 2ol3 s HIS 67 Cb -0.11 0.45 0.14 0.00 -1.43 0.00 0.00 32.58 31.64 2ol3 s HIS 67 CO 0.10 -1.20 0.82 -0.08 -2.00 0.00 0.00 174.74 172.38 2ol3 s THR 68 N -3.55 -0.68 0.27 -5.38 -1.32 -0.91 -1.85 115.64 102.22 2ol3 s THR 68 Ca 0.18 0.00 -0.30 0.00 -1.21 0.00 0.00 61.69 60.36 2ol3 s THR 68 Cb -0.03 -1.00 -0.13 0.00 -1.51 0.00 0.00 72.50 69.83 2ol3 s THR 68 CO 0.10 0.00 1.44 -1.84 -2.21 0.00 0.00 174.62 172.11 2ol3 n GLU 69 N 5.09 2.21 -2.96 7.08 0.28 -1.26 -2.82 120.64 128.26 2ol3 n GLU 69 Ca -0.11 0.79 -0.08 0.00 -0.16 0.00 0.00 57.16 57.59 2ol3 n GLU 69 Cb 0.51 -2.46 -0.01 0.00 1.43 0.00 0.00 31.44 30.91 2ol3 n GLU 69 CO 0.00 0.00 0.00 1.97 -0.16 0.00 0.00 177.13 178.94 2ol3 n PHE 70 N 1.72 -1.14 -3.63 -1.84 -1.74 0.20 -4.91 117.46 106.13 2ol3 n PHE 70 Ca 0.10 -1.37 -0.21 0.00 -0.56 0.00 0.00 57.45 55.41 2ol3 n PHE 70 Cb 0.33 0.36 -0.16 0.00 1.52 0.00 0.00 39.48 41.53 2ol3 n PHE 70 CO 0.00 0.00 0.00 0.99 -0.56 0.00 0.00 176.76 177.19 2ol3 s THR 71 N -2.64 -0.17 0.38 1.97 2.01 -1.26 0.51 115.64 116.43 2ol3 s THR 71 Ca 0.16 0.16 -0.27 0.00 0.31 0.00 0.00 61.69 62.05 2ol3 s THR 71 Cb -0.01 -0.39 -0.09 0.00 0.01 0.00 0.00 72.50 72.02 2ol3 s THR 71 CO 0.12 -0.02 1.26 -2.16 -0.69 0.00 0.00 174.62 173.13 2ol3 s PRO 72 N 2.21 4.12 0.02 4.92 0.04 -1.26 -4.85 135.00 140.21 2ol3 s PRO 72 Ca 0.04 2.08 -0.01 0.00 0.04 0.00 0.00 61.00 63.15 2ol3 s PRO 72 Cb -0.14 -2.84 -0.02 0.00 0.04 0.00 0.00 34.50 31.54 2ol3 s PRO 72 CO -0.07 -0.34 -0.01 0.95 0.04 0.00 0.00 177.00 177.58 2ol3 s THR 73 N -1.26 0.12 0.42 1.26 -4.23 -1.26 -0.34 115.64 110.35 2ol3 s THR 73 Ca 0.54 -0.95 0.27 0.00 -1.18 0.00 0.00 61.69 60.37 2ol3 s THR 73 Cb -0.37 -0.39 0.46 0.00 1.34 0.00 0.00 72.50 73.54 2ol3 s THR 73 CO 0.47 -0.52 1.65 -0.33 -0.54 0.00 0.00 174.62 175.34 2ol3 h GLU 74 N 4.47 0.14 -0.26 3.99 5.08 -1.98 0.39 114.58 126.41 2ol3 h GLU 74 Ca -0.32 -0.01 -0.10 0.00 -1.00 0.00 0.00 59.36 57.93 2ol3 h GLU 74 Cb 1.20 -0.03 -0.06 0.00 0.50 0.00 0.00 28.75 30.36 2ol3 h GLU 74 CO 0.43 0.09 -0.10 2.41 -1.00 0.00 0.00 179.01 180.84 2ol3 n THR 75 N -4.73 2.39 -3.47 1.13 -1.04 -1.26 -4.95 114.28 102.35 2ol3 n THR 75 Ca 0.35 -2.56 -0.41 0.00 -2.04 0.00 0.00 64.05 59.39 2ol3 n THR 75 Cb 1.31 -0.29 -0.10 0.00 -1.82 0.00 0.00 70.33 69.43 2ol3 n THR 75 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 2ol3 s ASP 76 N -2.51 6.11 0.19 8.00 -0.00 0.12 -5.01 116.67 123.57 2ol3 s ASP 76 Ca 0.42 -0.47 -0.20 0.00 -0.00 0.00 0.00 52.55 52.30 2ol3 s ASP 76 Cb 0.38 -2.16 -0.08 0.00 -0.00 0.00 0.00 42.92 41.05 2ol3 s ASP 76 CO 0.01 -0.32 0.70 -0.89 -0.00 0.00 0.00 175.17 174.67 2ol3 s THR 77 N 1.82 4.59 -0.06 -1.27 2.01 -1.26 -4.73 115.64 116.73 2ol3 s THR 77 Ca 0.08 1.29 -0.07 0.00 0.31 0.00 0.00 61.69 63.29 2ol3 s THR 77 Cb -0.17 -3.89 0.02 0.00 0.01 0.00 0.00 72.50 68.46 2ol3 s THR 77 CO 0.11 0.29 0.19 -0.31 -0.69 0.00 0.00 174.62 174.21 2ol3 s TYR 78 N -1.43 -0.18 0.34 4.92 2.02 -1.26 -0.51 117.35 121.26 2ol3 s TYR 78 Ca 0.40 0.42 -0.03 0.00 -0.37 0.00 0.00 57.07 57.49 2ol3 s TYR 78 Cb -0.18 0.06 0.00 0.00 -0.40 0.00 0.00 41.96 41.44 2ol3 s TYR 78 CO 0.21 -0.14 0.48 0.00 -1.57 0.00 0.00 175.55 174.53 2ol3 s ALA 79 N -0.15 0.68 -0.20 3.71 0.00 -1.26 0.90 121.76 125.44 2ol3 s ALA 79 Ca -0.02 -1.46 -0.04 0.00 0.00 0.00 0.00 51.96 50.43 2ol3 s ALA 79 Cb -0.02 1.14 0.07 0.00 0.00 0.00 0.00 23.12 24.30 2ol3 s ALA 79 CO 0.01 -0.80 0.09 0.00 0.00 0.00 0.00 175.76 175.06 2ol3 s ARG 81 N 2.07 4.27 -0.10 0.00 3.52 0.57 -2.50 118.95 126.78 2ol3 s ARG 81 Ca 0.03 0.53 -0.01 0.00 -0.13 0.00 0.00 55.73 56.15 2ol3 s ARG 81 Cb -0.16 -3.37 0.03 0.00 -1.56 0.00 0.00 34.95 29.88 2ol3 s ARG 81 CO -0.14 0.30 -0.02 0.08 -0.81 0.00 0.00 175.30 174.71 2ol3 s VAL 82 N 0.12 0.63 -0.16 7.11 1.01 -1.18 -1.76 120.40 126.16 2ol3 s VAL 82 Ca 0.27 -0.09 -0.06 0.00 0.00 0.00 0.00 61.98 62.10 2ol3 s VAL 82 Cb -0.16 -0.77 -0.04 0.00 0.00 0.00 0.00 36.38 35.41 2ol3 s VAL 82 CO 0.13 0.25 0.04 -0.75 0.00 0.00 0.00 175.10 174.77 2ol3 s LYS 83 N 1.87 3.79 -0.13 2.72 2.20 -0.72 -3.07 119.74 126.39 2ol3 s LYS 83 Ca 0.04 -0.36 -0.21 0.00 -0.36 0.00 0.00 55.97 55.08 2ol3 s LYS 83 Cb -0.13 -3.12 0.05 0.00 -1.51 0.00 0.00 37.83 33.12 2ol3 s LYS 83 CO -0.06 0.35 0.53 -1.58 -0.36 0.00 0.00 175.35 174.23 2ol3 s HIS 84 N 0.13 -0.53 0.65 4.03 2.46 -1.26 -2.11 115.29 118.66 2ol3 s HIS 84 Ca 0.04 1.15 0.32 0.00 0.47 0.00 0.00 55.06 57.05 2ol3 s HIS 84 Cb -0.12 0.23 1.77 0.00 -0.13 0.00 0.00 32.58 34.33 2ol3 s HIS 84 CO 0.01 -0.38 2.03 -0.44 -2.47 0.00 0.00 174.74 173.49 2ol3 h ASP 85 N 4.49 0.00 -0.23 9.88 3.45 -1.95 -2.07 116.42 129.99 2ol3 h ASP 85 Ca -0.28 0.00 -0.18 0.00 0.43 0.00 0.00 57.03 57.00 2ol3 h ASP 85 Cb 1.17 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.94 2ol3 h ASP 85 CO 0.26 0.00 -0.56 0.77 -1.57 0.00 0.00 179.24 178.14 2ol3 h SER 86 N 0.00 0.89 -3.43 6.45 4.64 -1.89 -3.44 113.55 116.77 2ol3 h SER 86 Ca 0.03 -0.56 -0.54 0.00 -0.47 0.00 0.00 61.79 60.25 2ol3 h SER 86 Cb 0.56 -0.26 -0.03 0.00 -0.31 0.00 0.00 62.40 62.37 2ol3 h SER 86 CO -0.00 1.29 -0.10 -0.04 -0.87 0.00 0.00 176.83 177.10 2ol3 s MET 87 N -4.01 3.83 -0.06 4.77 -1.94 -0.78 -4.93 119.30 116.18 2ol3 s MET 87 Ca -0.11 0.32 -0.26 0.00 -1.71 0.00 0.00 55.69 53.92 2ol3 s MET 87 Cb 0.09 -2.68 -0.21 0.00 2.01 0.00 0.00 34.83 34.03 2ol3 s MET 87 CO 0.88 0.34 1.05 0.00 -0.01 0.00 0.00 175.02 177.27 2ol3 h ALA 88 N 2.68 -0.03 -4.22 3.03 0.00 -1.87 -3.44 119.26 115.42 2ol3 h ALA 88 Ca -0.47 -0.32 -0.69 0.00 0.00 0.00 0.00 54.91 53.42 2ol3 h ALA 88 Cb 1.17 0.01 -0.25 0.00 0.00 0.00 0.00 17.79 18.72 2ol3 h ALA 88 CO 0.69 -0.18 -0.86 -1.21 0.00 0.00 0.00 179.25 177.69 2ol3 s GLU 89 N -3.48 1.89 -0.44 0.00 0.41 -1.26 -5.04 118.70 110.78 2ol3 s GLU 89 Ca -0.16 -1.07 -0.31 0.00 -0.41 0.00 0.00 54.97 53.02 2ol3 s GLU 89 Cb -0.00 -2.04 -0.10 0.00 -1.78 0.00 0.00 34.13 30.21 2ol3 s GLU 89 CO 0.65 0.52 2.32 -2.30 -0.49 0.00 0.00 175.26 175.96 2ol3 n PRO 90 N 1.75 1.10 -2.23 0.39 -0.02 -1.26 -4.90 135.00 129.83 2ol3 n PRO 90 Ca -0.17 0.22 -0.43 0.00 -2.02 0.00 0.00 63.50 61.11 2ol3 n PRO 90 Cb 0.52 -2.75 -0.02 0.00 -0.02 0.00 0.00 33.50 31.23 2ol3 n PRO 90 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 2ol3 s LYS 91 N 7.11 3.74 -0.12 -0.52 3.01 -1.17 -4.70 119.74 127.09 2ol3 s LYS 91 Ca 1.08 1.38 -0.03 0.00 -1.01 0.00 0.00 55.97 57.40 2ol3 s LYS 91 Cb -0.63 -4.01 -0.03 0.00 -1.01 0.00 0.00 37.83 32.15 2ol3 s LYS 91 CO 0.41 -1.36 -0.02 -0.08 0.51 0.00 0.00 175.35 174.81 2ol3 s THR 92 N 5.19 4.11 -0.08 2.17 -1.32 -1.26 -3.13 115.64 121.33 2ol3 s THR 92 Ca 0.66 -0.30 0.04 0.00 -1.21 0.00 0.00 61.69 60.88 2ol3 s THR 92 Cb -0.20 -2.76 -0.00 0.00 -1.51 0.00 0.00 72.50 68.03 2ol3 s THR 92 CO 0.29 0.55 -0.21 0.68 -2.21 0.00 0.00 174.62 173.71 2ol3 s VAL 93 N -0.33 1.83 0.21 5.08 -7.23 -1.04 -4.91 120.40 114.00 2ol3 s VAL 93 Ca 0.06 -0.90 -0.18 0.00 -1.81 0.00 0.00 61.98 59.14 2ol3 s VAL 93 Cb -0.12 -1.58 -0.08 0.00 0.56 0.00 0.00 36.38 35.16 2ol3 s VAL 93 CO 0.02 0.51 0.68 -0.31 -0.31 0.00 0.00 175.10 175.70 2ol3 s TYR 94 N 0.24 3.64 -0.11 2.82 2.02 -1.26 -1.18 117.35 123.52 2ol3 s TYR 94 Ca -0.13 1.31 -0.30 0.00 -0.37 0.00 0.00 57.07 57.59 2ol3 s TYR 94 Cb -0.16 -2.56 -0.03 0.00 -0.40 0.00 0.00 41.96 38.81 2ol3 s TYR 94 CO 0.06 0.36 1.32 -0.46 -1.57 0.00 0.00 175.55 175.26 2ol3 s TRP 95 N -1.51 2.79 -0.65 2.71 -0.00 0.26 -4.92 118.94 117.61 2ol3 s TRP 95 Ca 0.42 0.91 -0.09 0.00 -0.00 0.00 0.00 56.10 57.33 2ol3 s TRP 95 Cb -0.16 -3.57 0.17 0.00 -0.00 0.00 0.00 33.47 29.91 2ol3 s TRP 95 CO 0.20 -2.03 0.53 0.34 -0.00 0.00 0.00 176.95 175.99 2ol3 s ASP 96 N 2.06 5.93 0.36 5.86 -1.08 -1.26 -4.76 116.67 123.78 2ol3 s ASP 96 Ca 0.59 -2.50 0.32 0.00 -0.52 0.00 0.00 52.55 50.44 2ol3 s ASP 96 Cb -0.25 -2.03 1.15 0.00 -1.46 0.00 0.00 42.92 40.33 2ol3 s ASP 96 CO 0.20 -0.55 1.06 -2.11 0.52 0.00 0.00 175.17 174.29 2ol3 n ARG 97 N 4.11 -0.00 0.11 4.34 0.00 -1.26 0.18 116.66 124.14 2ol3 n ARG 97 Ca 0.05 0.76 0.12 0.00 -0.00 0.00 0.00 57.85 58.78 2ol3 n ARG 97 Cb 0.42 -1.70 0.26 0.00 -0.00 0.00 0.00 32.46 31.44 2ol3 n ARG 97 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.63 177.19 2ol3 h ASP 98 N 0.00 0.00 -0.01 2.89 3.32 -2.00 -3.44 116.42 117.18 2ol3 h ASP 98 Ca 0.64 -0.07 0.00 0.00 0.02 0.00 0.00 57.03 57.62 2ol3 h ASP 98 Cb 2.47 0.00 0.00 0.00 0.22 0.00 0.00 39.33 42.02 2ol3 h ASP 98 CO -0.07 0.03 0.00 0.23 -1.72 0.00 0.00 179.24 177.72