#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jge s ILE 1 N 0.00 4.30 0.10 1.12 -1.09 -1.26 -5.05 121.20 119.32 1jge s ILE 1 Ca 0.00 1.79 0.04 0.00 -2.23 0.00 0.00 60.65 60.25 1jge s ILE 1 Cb 0.00 -4.14 -0.04 0.00 -1.58 0.00 0.00 42.46 36.70 1jge s ILE 1 CO 0.00 0.22 -0.10 -1.10 -1.23 0.00 0.00 174.94 172.72 1jge s GLN 2 N 0.40 0.88 -0.07 2.79 -0.21 -1.26 -4.85 119.66 117.34 1jge s GLN 2 Ca 0.52 -1.18 0.02 0.00 0.02 0.00 0.00 55.36 54.73 1jge s GLN 2 Cb -0.26 -0.57 0.01 0.00 1.00 0.00 0.00 33.01 33.20 1jge s GLN 2 CO 0.31 0.09 -0.11 1.03 -2.12 0.00 0.00 175.29 174.48 1jge s ARG 3 N -2.85 1.63 0.31 2.91 0.52 0.13 -4.96 118.95 116.64 1jge s ARG 3 Ca 0.06 -0.38 -0.26 0.00 -0.52 0.00 0.00 55.73 54.63 1jge s ARG 3 Cb -0.03 -1.37 -0.10 0.00 0.52 0.00 0.00 34.95 33.97 1jge s ARG 3 CO 0.00 0.00 0.94 -0.08 0.02 0.00 0.00 175.30 176.18 1jge s THR 4 N 0.75 4.21 0.36 0.02 -1.32 -1.26 -1.76 115.64 116.63 1jge s THR 4 Ca -0.13 1.84 -0.26 0.00 -1.21 0.00 0.00 61.69 61.92 1jge s THR 4 Cb -0.15 -4.04 -0.09 0.00 -1.51 0.00 0.00 72.50 66.70 1jge s THR 4 CO 0.03 0.18 1.14 -2.16 -2.21 0.00 0.00 174.62 171.60 1jge s PRO 5 N -1.95 4.27 0.44 7.08 0.04 -1.26 -4.48 135.00 139.14 1jge s PRO 5 Ca 0.49 1.80 -0.16 0.00 0.04 0.00 0.00 61.00 63.17 1jge s PRO 5 Cb -0.19 -2.83 -0.08 0.00 0.04 0.00 0.00 34.50 31.43 1jge s PRO 5 CO 0.25 -0.12 0.89 0.15 0.04 0.00 0.00 177.00 178.20 1jge s LYS 6 N -2.05 3.97 -0.03 4.56 1.02 0.71 -4.89 119.74 123.03 1jge s LYS 6 Ca 0.53 0.82 0.01 0.00 0.02 0.00 0.00 55.97 57.35 1jge s LYS 6 Cb -0.30 -2.25 0.02 0.00 -0.52 0.00 0.00 37.83 34.78 1jge s LYS 6 CO 0.38 -0.10 -0.01 0.42 -0.92 0.00 0.00 175.35 175.12 1jge s ILE 7 N -2.38 0.22 -0.03 2.17 1.01 -1.26 -2.21 121.20 118.72 1jge s ILE 7 Ca 0.57 0.03 0.02 0.00 0.00 0.00 0.00 60.65 61.27 1jge s ILE 7 Cb -0.10 -0.29 0.00 0.00 0.01 0.00 0.00 42.46 42.09 1jge s ILE 7 CO 0.26 0.14 -0.09 -1.10 0.00 0.00 0.00 174.94 174.15 1jge s GLN 8 N 0.84 0.97 -0.10 2.79 -0.21 -0.55 -5.00 119.66 118.40 1jge s GLN 8 Ca -0.09 -0.29 0.03 0.00 0.02 0.00 0.00 55.36 55.03 1jge s GLN 8 Cb -0.12 -0.91 0.01 0.00 1.00 0.00 0.00 33.01 32.99 1jge s GLN 8 CO -0.01 0.09 -0.20 0.08 -2.12 0.00 0.00 175.29 173.13 1jge s VAL 9 N 0.26 1.81 0.16 1.09 1.01 -1.26 -0.45 120.40 123.03 1jge s VAL 9 Ca -0.04 -0.86 -0.25 0.00 0.00 0.00 0.00 61.98 60.83 1jge s VAL 9 Cb -0.09 -1.60 0.07 0.00 0.00 0.00 0.00 36.38 34.76 1jge s VAL 9 CO 0.01 0.50 0.97 -0.72 0.00 0.00 0.00 175.10 175.86 1jge s TYR 10 N 0.58 -0.10 0.14 5.22 1.13 -0.68 -4.63 117.35 119.01 1jge s TYR 10 Ca -0.14 -0.22 0.04 0.00 -1.41 0.00 0.00 57.07 55.34 1jge s TYR 10 Cb -0.17 0.65 -0.04 0.00 -1.10 0.00 0.00 41.96 41.30 1jge s TYR 10 CO 0.04 -0.84 0.14 -1.54 -2.51 0.00 0.00 175.55 170.85 1jge s SER 11 N -2.99 5.64 0.16 -0.18 1.04 -1.26 -0.16 113.70 115.95 1jge s SER 11 Ca 0.13 -0.06 -0.11 0.00 0.48 0.00 0.00 55.95 56.39 1jge s SER 11 Cb -0.01 -1.52 0.04 0.00 0.10 0.00 0.00 66.02 64.63 1jge s SER 11 CO 0.03 0.09 1.64 -0.09 0.98 0.00 0.00 173.24 175.88 1jge h ARG 12 N 2.57 0.94 -6.24 4.02 2.43 -1.61 -3.44 114.38 113.04 1jge h ARG 12 Ca -0.47 -0.27 -0.60 0.00 -0.81 0.00 0.00 59.98 57.82 1jge h ARG 12 Cb 1.19 -0.10 -0.13 0.00 -0.42 0.00 0.00 29.97 30.51 1jge h ARG 12 CO 0.65 0.93 -0.74 -1.01 -1.51 0.00 0.00 179.97 178.28 1jge s HIS 13 N -5.12 2.39 0.27 2.20 3.76 -1.26 -5.05 115.29 112.48 1jge s HIS 13 Ca -0.12 -0.31 -0.30 0.00 -0.15 0.00 0.00 55.06 54.18 1jge s HIS 13 Cb 0.12 -1.05 -0.13 0.00 1.11 0.00 0.00 32.58 32.63 1jge s HIS 13 CO 0.83 0.68 1.33 -0.35 -0.85 0.00 0.00 174.74 176.38 1jge n PRO 14 N -0.60 1.96 -1.88 8.40 -0.04 -1.26 -4.85 135.00 136.72 1jge n PRO 14 Ca -0.06 0.69 -0.42 0.00 -0.04 0.00 0.00 63.50 63.68 1jge n PRO 14 Cb 0.59 -2.30 -0.03 0.00 -0.04 0.00 0.00 33.50 31.73 1jge n PRO 14 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1jge s ALA 15 N -0.43 3.79 -0.22 0.55 0.00 -1.26 -5.00 121.76 119.19 1jge s ALA 15 Ca 0.64 1.44 -0.04 0.00 0.00 0.00 0.00 51.96 54.00 1jge s ALA 15 Cb -0.64 -3.63 0.09 0.00 0.00 0.00 0.00 23.12 18.94 1jge s ALA 15 CO 0.54 -0.83 0.17 -2.00 0.00 0.00 0.00 175.76 173.64 1jge s GLU 16 N 0.78 0.17 -0.12 0.00 2.12 -1.26 -5.12 118.70 115.26 1jge s GLU 16 Ca 0.69 -0.09 -0.39 0.00 0.36 0.00 0.00 54.97 55.55 1jge s GLU 16 Cb -0.45 -1.33 -0.16 0.00 0.26 0.00 0.00 34.13 32.44 1jge s GLU 16 CO 0.35 -0.78 1.56 0.09 -0.54 0.00 0.00 175.26 175.93 1jge n ASN 17 N 5.29 2.03 0.00 -1.70 3.02 -1.26 -0.77 115.26 121.87 1jge n ASN 17 Ca -0.06 1.10 0.00 0.00 -0.03 0.00 0.00 54.58 55.59 1jge n ASN 17 Cb 0.47 -1.16 0.00 0.00 -0.61 0.00 0.00 39.78 38.49 1jge n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1jge n GLY 18 N 3.43 0.81 3.57 7.41 0.00 -0.53 -5.01 105.19 114.88 1jge n GLY 18 Ca 0.23 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.91 1jge n GLY 18 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1jge s LYS 19 N -0.36 3.32 0.40 1.61 2.20 0.05 -5.00 119.74 121.97 1jge s LYS 19 Ca 0.00 -0.49 -0.26 0.00 -0.36 0.00 0.00 55.97 54.86 1jge s LYS 19 Cb 0.00 -2.83 -0.09 0.00 -1.51 0.00 0.00 37.83 33.40 1jge s LYS 19 CO 0.00 0.45 1.36 0.45 -0.36 0.00 0.00 175.35 177.25 1jge s SER 20 N -0.21 6.28 0.00 1.43 0.15 -1.26 -4.12 113.70 115.97 1jge s SER 20 Ca 0.04 2.77 0.00 0.00 0.70 0.00 0.00 55.95 59.46 1jge s SER 20 Cb -0.13 -2.65 0.00 0.00 -1.71 0.00 0.00 66.02 61.54 1jge s SER 20 CO 0.02 -0.88 0.00 -3.20 1.20 0.00 0.00 173.24 170.38 1jge n ASN 21 N 0.19 0.00 -3.88 5.45 2.85 0.30 -4.97 115.26 115.20 1jge n ASN 21 Ca 0.03 -0.58 -0.20 0.00 -0.11 0.00 0.00 54.58 53.72 1jge n ASN 21 Cb 0.42 0.00 -0.16 0.00 1.24 0.00 0.00 39.78 41.28 1jge n ASN 21 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 1jge s PHE 22 N -4.58 0.74 -0.17 1.20 0.40 -1.26 -0.88 117.98 113.43 1jge s PHE 22 Ca 0.00 -0.21 -0.15 0.00 -0.60 0.00 0.00 56.93 55.97 1jge s PHE 22 Cb 0.00 -0.68 -0.04 0.00 0.51 0.00 0.00 43.02 42.80 1jge s PHE 22 CO 0.00 -0.21 0.34 -1.17 0.70 0.00 0.00 175.22 174.88 1jge s LEU 23 N 1.03 4.22 0.07 -0.37 2.96 -0.09 -1.39 118.68 125.12 1jge s LEU 23 Ca -0.09 0.53 0.08 0.00 -0.22 0.00 0.00 54.13 54.43 1jge s LEU 23 Cb -0.14 -2.44 -0.03 0.00 0.50 0.00 0.00 46.19 44.07 1jge s LEU 23 CO -0.01 0.04 -0.20 0.20 -1.32 0.00 0.00 176.35 175.06 1jge s ASN 24 N 0.67 3.70 -0.22 3.68 0.01 0.78 -2.08 114.94 121.48 1jge s ASN 24 Ca 0.18 -0.52 -0.01 0.00 -0.71 0.00 0.00 52.86 51.80 1jge s ASN 24 Cb -0.14 -0.51 0.06 0.00 0.41 0.00 0.00 41.25 41.07 1jge s ASN 24 CO 0.06 0.22 0.00 0.00 -1.51 0.00 0.00 177.10 175.88 1jge s TYR 26 N 1.66 3.21 -0.10 0.00 5.04 0.41 -1.61 117.35 125.96 1jge s TYR 26 Ca -0.02 -0.04 -0.01 0.00 -2.44 0.00 0.00 57.07 54.55 1jge s TYR 26 Cb -0.18 -2.40 -0.03 0.00 0.35 0.00 0.00 41.96 39.70 1jge s TYR 26 CO -0.08 -0.25 -0.04 0.14 -1.34 0.00 0.00 175.55 173.98 1jge s VAL 27 N 1.73 3.89 0.25 3.14 -7.23 -0.81 -1.48 120.40 119.91 1jge s VAL 27 Ca 0.07 -0.39 -0.15 0.00 -1.81 0.00 0.00 61.98 59.70 1jge s VAL 27 Cb -0.16 -2.63 0.00 0.00 0.56 0.00 0.00 36.38 34.14 1jge s VAL 27 CO 0.10 0.57 0.53 -0.94 -0.31 0.00 0.00 175.10 175.05 1jge s SER 28 N -0.49 -0.13 -1.06 4.85 1.04 -0.94 -1.60 113.70 115.37 1jge s SER 28 Ca 0.08 -0.85 0.00 0.00 0.48 0.00 0.00 55.95 55.66 1jge s SER 28 Cb -0.12 0.61 0.00 0.00 0.10 0.00 0.00 66.02 66.61 1jge s SER 28 CO 0.02 -1.18 0.00 0.61 0.98 0.00 0.00 173.24 173.67 1jge n GLY 29 N -0.39 0.17 3.54 7.32 0.00 -0.57 -0.21 105.19 115.05 1jge n GLY 29 Ca -0.02 -0.41 -0.24 0.00 0.00 0.00 0.00 46.02 45.34 1jge n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1jge s PHE 30 N -2.56 2.42 -0.26 1.61 -0.71 -1.12 -4.46 117.98 112.91 1jge s PHE 30 Ca 0.00 -0.38 -0.26 0.00 -1.04 0.00 0.00 56.93 55.26 1jge s PHE 30 Cb 0.00 -1.21 0.11 0.00 -1.21 0.00 0.00 43.02 40.71 1jge s PHE 30 CO 0.00 0.63 0.94 -1.58 -1.34 0.00 0.00 175.22 173.87 1jge s HIS 31 N -2.51 -0.55 1.27 3.49 2.46 -0.72 -1.00 115.29 117.73 1jge s HIS 31 Ca 0.32 1.30 -0.21 0.00 0.47 0.00 0.00 55.06 56.93 1jge s HIS 31 Cb -0.02 0.35 0.32 0.00 -0.13 0.00 0.00 32.58 33.09 1jge s HIS 31 CO 0.17 -0.29 1.09 -1.25 -2.47 0.00 0.00 174.74 171.99 1jge s PRO 32 N 0.10 -1.79 0.38 2.88 0.04 -1.26 -0.69 135.00 134.67 1jge s PRO 32 Ca 0.02 -0.17 0.23 0.00 0.04 0.00 0.00 61.00 61.12 1jge s PRO 32 Cb -0.04 -1.54 0.34 0.00 0.04 0.00 0.00 34.50 33.30 1jge s PRO 32 CO -0.03 -4.06 1.55 0.66 0.04 0.00 0.00 177.00 175.16 1jge h SER 33 N -2.83 0.00 -3.14 6.66 4.64 -1.99 -3.45 113.55 113.44 1jge h SER 33 Ca -0.42 -0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.37 1jge h SER 33 Cb 1.29 0.00 0.04 0.00 -0.31 0.00 0.00 62.40 63.42 1jge h SER 33 CO 0.28 0.00 0.76 -1.81 -0.87 0.00 0.00 176.83 175.19 1jge s ASP 34 N -5.91 6.73 -0.01 4.97 1.01 -1.26 -4.99 116.67 117.21 1jge s ASP 34 Ca 0.06 2.51 -0.29 0.00 0.71 0.00 0.00 52.55 55.54 1jge s ASP 34 Cb 0.06 -2.60 0.07 0.00 1.01 0.00 0.00 42.92 41.46 1jge s ASP 34 CO 0.68 -0.69 0.68 -0.51 0.21 0.00 0.00 175.17 175.54 1jge s ILE 35 N 0.61 0.00 -0.16 0.77 2.07 -1.26 -4.70 121.20 118.53 1jge s ILE 35 Ca 0.63 0.00 0.01 0.00 -1.41 0.00 0.00 60.65 59.88 1jge s ILE 35 Cb -0.40 -1.00 0.02 0.00 0.13 0.00 0.00 42.46 41.21 1jge s ILE 35 CO 0.36 0.00 -0.19 -0.70 -1.91 0.00 0.00 174.94 172.49 1jge s GLU 36 N -1.76 2.85 -0.04 3.50 2.12 -0.94 -5.02 118.70 119.39 1jge s GLU 36 Ca -0.08 -0.78 0.03 0.00 0.36 0.00 0.00 54.97 54.51 1jge s GLU 36 Cb -0.00 -2.42 0.00 0.00 0.26 0.00 0.00 34.13 31.97 1jge s GLU 36 CO 0.05 -0.15 -0.14 0.08 -0.54 0.00 0.00 175.26 174.56 1jge s VAL 37 N 1.16 1.21 0.06 3.70 1.01 -1.26 -1.51 120.40 124.78 1jge s VAL 37 Ca 0.01 -0.58 0.05 0.00 0.00 0.00 0.00 61.98 61.46 1jge s VAL 37 Cb -0.14 -1.06 -0.03 0.00 0.00 0.00 0.00 36.38 35.15 1jge s VAL 37 CO -0.09 0.36 -0.15 -1.81 0.00 0.00 0.00 175.10 173.41 1jge s ASP 38 N 0.21 1.78 -0.11 3.32 1.01 -0.40 -4.98 116.67 117.50 1jge s ASP 38 Ca -0.06 -0.56 -0.03 0.00 0.71 0.00 0.00 52.55 52.60 1jge s ASP 38 Cb -0.12 -0.08 -0.03 0.00 1.01 0.00 0.00 42.92 43.70 1jge s ASP 38 CO 0.02 -0.02 0.01 -0.76 0.21 0.00 0.00 175.17 174.63 1jge s LEU 39 N -1.53 3.59 0.04 1.23 1.43 -1.26 -0.18 118.68 122.00 1jge s LEU 39 Ca 0.00 0.10 0.08 0.00 -1.03 0.00 0.00 54.13 53.28 1jge s LEU 39 Cb -0.09 -1.84 -0.03 0.00 0.03 0.00 0.00 46.19 44.26 1jge s LEU 39 CO 0.02 0.31 -0.22 -0.76 0.23 0.00 0.00 176.35 175.93 1jge s LEU 40 N -0.48 2.40 -0.20 1.79 1.43 0.01 -0.80 118.68 122.82 1jge s LEU 40 Ca 0.09 -0.50 0.01 0.00 -1.03 0.00 0.00 54.13 52.70 1jge s LEU 40 Cb -0.12 -1.41 0.04 0.00 0.03 0.00 0.00 46.19 44.74 1jge s LEU 40 CO 0.02 0.26 -0.12 -0.75 0.23 0.00 0.00 176.35 176.00 1jge s LYS 41 N -1.31 2.19 -1.48 1.70 2.20 0.31 -1.84 119.74 121.51 1jge s LYS 41 Ca 0.13 -0.90 -0.12 0.00 -0.36 0.00 0.00 55.97 54.72 1jge s LYS 41 Cb -0.10 -2.49 0.08 0.00 -1.51 0.00 0.00 37.83 33.81 1jge s LYS 41 CO 0.03 -0.41 0.77 0.09 -0.36 0.00 0.00 175.35 175.48 1jge n ASN 42 N 4.64 -4.46 0.00 1.43 3.02 0.23 -1.76 115.26 118.36 1jge n ASN 42 Ca -0.15 -0.63 0.00 0.00 -0.03 0.00 0.00 54.58 53.76 1jge n ASN 42 Cb 0.46 -3.61 0.00 0.00 -0.61 0.00 0.00 39.78 36.03 1jge n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1jge n GLY 43 N -1.48 2.33 3.78 7.41 0.00 -1.26 -5.04 105.19 110.93 1jge n GLY 43 Ca 0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.72 1jge n GLY 43 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1jge s GLU 44 N -0.60 2.98 0.07 1.61 0.41 -0.72 -5.02 118.70 117.43 1jge s GLU 44 Ca 0.00 -0.60 -0.31 0.00 -0.41 0.00 0.00 54.97 53.65 1jge s GLU 44 Cb 0.00 -2.79 -0.07 0.00 -1.78 0.00 0.00 34.13 29.48 1jge s GLU 44 CO 0.00 0.60 1.48 0.50 -0.49 0.00 0.00 175.26 177.35 1jge s ARG 45 N -2.14 4.27 0.12 1.61 3.52 -1.26 -0.53 118.95 124.53 1jge s ARG 45 Ca 0.27 2.13 -0.30 0.00 -0.13 0.00 0.00 55.73 57.70 1jge s ARG 45 Cb -0.12 -3.45 -0.06 0.00 -1.56 0.00 0.00 34.95 29.76 1jge s ARG 45 CO 0.19 -0.58 0.98 0.42 -0.81 0.00 0.00 175.30 175.50 1jge s ILE 46 N 1.96 4.42 0.69 4.11 1.01 0.02 -4.89 121.20 128.52 1jge s ILE 46 Ca 0.67 2.01 -0.11 0.00 0.00 0.00 0.00 60.65 63.22 1jge s ILE 46 Cb -0.36 -4.28 0.01 0.00 0.01 0.00 0.00 42.46 37.84 1jge s ILE 46 CO 0.30 0.31 1.08 -1.61 0.00 0.00 0.00 174.94 175.01 1jge s GLU 47 N -0.01 2.90 -1.86 2.79 2.02 -1.26 -4.31 118.70 118.96 1jge s GLU 47 Ca 0.48 0.43 0.00 0.00 0.02 0.00 0.00 54.97 55.89 1jge s GLU 47 Cb -0.24 -2.05 0.00 0.00 0.10 0.00 0.00 34.13 31.94 1jge s GLU 47 CO 0.30 -0.98 0.00 0.36 0.02 0.00 0.00 175.26 174.96 1jge n LYS 48 N -2.96 -1.63 -2.03 1.61 0.00 -1.26 -4.97 118.16 106.93 1jge n LYS 48 Ca 0.07 1.05 -0.38 0.00 -0.00 0.00 0.00 58.31 59.04 1jge n LYS 48 Cb 0.57 -5.59 0.01 0.00 -0.00 0.00 0.00 35.03 30.02 1jge n LYS 48 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 1jge s VAL 49 N -2.86 2.61 0.28 0.58 1.01 -1.26 -4.99 120.40 115.76 1jge s VAL 49 Ca 0.00 0.48 0.08 0.00 0.00 0.00 0.00 61.98 62.53 1jge s VAL 49 Cb 0.00 -3.25 -0.04 0.00 0.00 0.00 0.00 36.38 33.09 1jge s VAL 49 CO 0.00 0.01 0.18 -1.61 0.00 0.00 0.00 175.10 173.69 1jge s GLU 50 N -2.66 2.74 0.02 2.72 2.02 -0.72 -4.94 118.70 117.88 1jge s GLU 50 Ca 0.65 -1.20 -0.02 0.00 0.02 0.00 0.00 54.97 54.42 1jge s GLU 50 Cb -0.35 -2.45 -0.02 0.00 0.10 0.00 0.00 34.13 31.41 1jge s GLU 50 CO 0.43 0.31 0.02 -3.38 0.02 0.00 0.00 175.26 172.66 1jge s HIS 51 N -2.22 0.23 0.85 1.61 -3.43 -1.26 -0.79 115.29 110.28 1jge s HIS 51 Ca 0.35 -0.49 -0.12 0.00 -0.80 0.00 0.00 55.06 54.00 1jge s HIS 51 Cb -0.07 -0.17 0.10 0.00 -1.43 0.00 0.00 32.58 31.01 1jge s HIS 51 CO 0.24 -0.25 1.10 -1.54 -2.00 0.00 0.00 174.74 172.29 1jge s SER 52 N -1.65 3.96 0.31 7.38 1.04 -0.27 -4.99 113.70 119.48 1jge s SER 52 Ca -0.12 1.36 -0.28 0.00 0.48 0.00 0.00 55.95 57.39 1jge s SER 52 Cb -0.07 -2.06 -0.09 0.00 0.10 0.00 0.00 66.02 63.90 1jge s SER 52 CO -0.02 -2.31 1.04 -1.81 0.98 0.00 0.00 173.24 171.12 1jge s ASP 53 N -3.70 7.19 0.23 7.02 1.01 -1.26 -4.74 116.67 122.42 1jge s ASP 53 Ca 0.62 2.10 -0.32 0.00 0.71 0.00 0.00 52.55 55.66 1jge s ASP 53 Cb -0.16 -2.61 -0.12 0.00 1.01 0.00 0.00 42.92 41.04 1jge s ASP 53 CO 0.55 -0.18 1.65 -0.11 0.21 0.00 0.00 175.17 177.29 1jge n LEU 54 N 0.80 3.92 -4.01 1.23 7.94 -1.26 -4.94 117.00 120.67 1jge n LEU 54 Ca 0.01 1.09 -0.12 0.00 -1.11 0.00 0.00 56.01 55.88 1jge n LEU 54 Cb 0.47 -1.55 -0.03 0.00 0.53 0.00 0.00 43.42 42.84 1jge n LEU 54 CO 0.49 0.07 0.22 -0.55 -1.11 0.00 0.00 177.39 176.52 1jge s SER 55 N 0.89 0.51 0.23 1.96 0.15 -1.24 -5.07 113.70 111.14 1jge s SER 55 Ca 0.72 -1.30 -0.08 0.00 0.70 0.00 0.00 55.95 56.00 1jge s SER 55 Cb -0.54 0.68 -0.02 0.00 -1.71 0.00 0.00 66.02 64.44 1jge s SER 55 CO 0.39 -1.34 0.33 0.72 1.20 0.00 0.00 173.24 174.53 1jge s PHE 56 N -3.12 0.72 0.60 3.44 -0.12 -1.26 -2.08 117.98 116.16 1jge s PHE 56 Ca 0.26 -1.02 0.03 0.00 -0.05 0.00 0.00 56.93 56.15 1jge s PHE 56 Cb -0.01 -0.14 0.08 0.00 -0.63 0.00 0.00 43.02 42.31 1jge s PHE 56 CO 0.16 -0.84 0.83 -1.12 -0.05 0.00 0.00 175.22 174.20 1jge s SER 57 N -3.08 4.96 0.53 1.98 0.01 -0.44 -4.93 113.70 112.72 1jge s SER 57 Ca 0.30 -0.39 0.23 0.00 1.31 0.00 0.00 55.95 57.41 1jge s SER 57 Cb 0.03 -0.27 1.39 0.00 0.21 0.00 0.00 66.02 67.38 1jge s SER 57 CO 0.10 -1.39 2.04 0.50 0.41 0.00 0.00 173.24 174.90 1jge h LYS 58 N -0.04 0.00 -0.64 12.44 3.64 -2.03 0.17 116.57 130.11 1jge h LYS 58 Ca -0.37 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.01 1jge h LYS 58 Cb 1.28 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.10 1jge h LYS 58 CO 0.44 0.00 0.00 -0.40 -2.27 0.00 0.00 179.45 177.22 1jge n ASP 59 N -4.36 3.67 0.00 4.20 5.75 -1.26 -4.91 116.55 119.64 1jge n ASP 59 Ca 0.06 -2.40 0.00 0.00 -0.01 0.00 0.00 54.79 52.45 1jge n ASP 59 Cb 0.47 -0.52 0.00 0.00 -1.03 0.00 0.00 41.12 40.04 1jge n ASP 59 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1jge n TRP 60 N 0.64 0.00 -2.29 2.11 7.02 0.58 -5.00 117.44 120.50 1jge n TRP 60 Ca 0.18 0.00 -0.38 0.00 -1.02 0.00 0.00 57.50 56.29 1jge n TRP 60 Cb 0.72 -0.10 -0.02 0.00 -2.42 0.00 0.00 31.31 29.50 1jge n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 1jge s SER 61 N -3.43 6.36 0.43 -0.99 1.04 -1.26 -4.65 113.70 111.19 1jge s SER 61 Ca 0.00 2.31 -0.10 0.00 0.48 0.00 0.00 55.95 58.64 1jge s SER 61 Cb 0.00 -2.61 -0.06 0.00 0.10 0.00 0.00 66.02 63.45 1jge s SER 61 CO 0.00 -0.79 0.79 -0.36 0.98 0.00 0.00 173.24 173.86 1jge s PHE 62 N -1.49 3.49 -0.04 5.02 0.08 -0.17 -1.33 117.98 123.53 1jge s PHE 62 Ca 0.60 1.03 -0.10 0.00 0.12 0.00 0.00 56.93 58.59 1jge s PHE 62 Cb -0.29 -2.44 0.02 0.00 -0.57 0.00 0.00 43.02 39.73 1jge s PHE 62 CO 0.36 -0.17 0.23 1.52 -0.10 0.00 0.00 175.22 177.07 1jge s TYR 63 N -2.47 -0.16 0.01 0.36 -0.85 -0.88 -1.51 117.35 111.85 1jge s TYR 63 Ca 0.51 0.33 -0.06 0.00 -0.52 0.00 0.00 57.07 57.32 1jge s TYR 63 Cb -0.10 0.05 -0.00 0.00 0.38 0.00 0.00 41.96 42.29 1jge s TYR 63 CO 0.34 -0.24 0.11 -0.51 -1.52 0.00 0.00 175.55 173.73 1jge s LEU 64 N -0.70 1.67 -0.15 -3.49 1.43 -0.62 -3.58 118.68 113.23 1jge s LEU 64 Ca -0.08 -0.30 0.01 0.00 -1.03 0.00 0.00 54.13 52.74 1jge s LEU 64 Cb -0.04 0.60 0.01 0.00 0.03 0.00 0.00 46.19 46.79 1jge s LEU 64 CO 0.02 -0.39 -0.19 -0.22 0.23 0.00 0.00 176.35 175.80 1jge s LEU 65 N -1.52 2.24 -0.06 1.79 2.96 -1.26 -1.92 118.68 120.91 1jge s LEU 65 Ca -0.13 -0.57 -0.02 0.00 -0.22 0.00 0.00 54.13 53.19 1jge s LEU 65 Cb -0.07 -1.49 -0.04 0.00 0.50 0.00 0.00 46.19 45.09 1jge s LEU 65 CO 0.00 0.07 0.03 -0.31 -1.32 0.00 0.00 176.35 174.82 1jge s TYR 66 N 0.91 3.23 0.07 5.38 1.51 -0.63 -1.11 117.35 126.70 1jge s TYR 66 Ca -0.04 0.22 -0.22 0.00 -1.01 0.00 0.00 57.07 56.01 1jge s TYR 66 Cb -0.15 -1.78 0.05 0.00 -0.11 0.00 0.00 41.96 39.98 1jge s TYR 66 CO -0.03 0.52 0.53 1.52 -1.11 0.00 0.00 175.55 176.98 1jge s TYR 67 N -1.00 -0.44 -0.15 2.71 1.13 0.03 -1.02 117.35 118.62 1jge s TYR 67 Ca 0.16 0.44 -0.19 0.00 -1.41 0.00 0.00 57.07 56.07 1jge s TYR 67 Cb -0.12 0.37 0.05 0.00 -1.10 0.00 0.00 41.96 41.17 1jge s TYR 67 CO 0.06 -0.68 0.51 -0.08 -2.51 0.00 0.00 175.55 172.85 1jge s THR 68 N -2.69 0.01 0.43 -3.49 -1.32 -0.89 -1.76 115.64 105.93 1jge s THR 68 Ca -0.04 -0.08 -0.26 0.00 -1.21 0.00 0.00 61.69 60.11 1jge s THR 68 Cb -0.00 -0.75 -0.09 0.00 -1.51 0.00 0.00 72.50 70.15 1jge s THR 68 CO -0.04 -0.04 1.37 -0.70 -2.21 0.00 0.00 174.62 173.00 1jge s GLU 69 N -0.19 3.84 0.17 7.08 2.12 -1.26 -0.91 118.70 129.55 1jge s GLU 69 Ca -0.04 2.30 -0.22 0.00 0.36 0.00 0.00 54.97 57.37 1jge s GLU 69 Cb -0.03 -2.72 0.06 0.00 0.26 0.00 0.00 34.13 31.70 1jge s GLU 69 CO 0.03 -0.65 0.59 -0.59 -0.54 0.00 0.00 175.26 174.10 1jge s PHE 70 N -1.23 -0.49 -0.36 5.30 -0.71 -0.06 -4.82 117.98 115.62 1jge s PHE 70 Ca 0.59 0.25 0.03 0.00 -1.04 0.00 0.00 56.93 56.76 1jge s PHE 70 Cb -0.41 0.54 0.10 0.00 -1.21 0.00 0.00 43.02 42.05 1jge s PHE 70 CO 0.53 -0.86 0.09 0.99 -1.34 0.00 0.00 175.22 174.62 1jge s THR 71 N -3.77 2.06 0.44 -4.49 2.01 -1.26 0.11 115.64 110.74 1jge s THR 71 Ca 0.02 -2.31 -0.25 0.00 0.31 0.00 0.00 61.69 59.46 1jge s THR 71 Cb -0.01 -2.52 -0.08 0.00 0.01 0.00 0.00 72.50 69.90 1jge s THR 71 CO -0.11 -0.64 1.31 -2.16 -0.69 0.00 0.00 174.62 172.33 1jge s PRO 72 N 0.87 3.77 0.09 4.92 0.04 -1.26 -4.79 135.00 138.64 1jge s PRO 72 Ca 0.12 2.16 0.01 0.00 0.04 0.00 0.00 61.00 63.32 1jge s PRO 72 Cb -0.20 -2.62 -0.00 0.00 0.04 0.00 0.00 34.50 31.72 1jge s PRO 72 CO -0.10 -0.66 0.02 0.25 0.04 0.00 0.00 177.00 176.55 1jge n THR 73 N -0.18 0.00 0.07 1.26 -2.24 -1.26 -1.45 114.28 110.49 1jge n THR 73 Ca 0.05 -0.47 -0.12 0.00 -2.27 0.00 0.00 64.05 61.25 1jge n THR 73 Cb 0.44 0.14 -0.13 0.00 -2.10 0.00 0.00 70.33 68.68 1jge n THR 73 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1jge h GLU 74 N 0.00 0.14 0.04 -0.78 4.57 -1.98 -3.39 114.58 113.18 1jge h GLU 74 Ca -0.07 -0.24 -0.36 0.00 -1.18 0.00 0.00 59.36 57.52 1jge h GLU 74 Cb 0.24 0.09 -0.05 0.00 -0.16 0.00 0.00 28.75 28.87 1jge h GLU 74 CO 0.11 1.07 -2.13 0.36 -1.18 0.00 0.00 179.01 177.24 1jge n LYS 75 N -3.42 0.69 -1.81 1.92 2.85 -1.26 -4.93 118.16 112.20 1jge n LYS 75 Ca -0.07 0.19 -0.42 0.00 -1.05 0.00 0.00 58.31 56.97 1jge n LYS 75 Cb 0.99 -1.65 -0.03 0.00 -0.65 0.00 0.00 35.03 33.70 1jge n LYS 75 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1jge s ASP 76 N -6.42 6.46 -0.19 -5.58 1.01 -1.26 -4.99 116.67 105.69 1jge s ASP 76 Ca -0.19 2.78 -0.07 0.00 0.71 0.00 0.00 52.55 55.77 1jge s ASP 76 Cb 0.07 -2.60 -0.04 0.00 1.01 0.00 0.00 42.92 41.37 1jge s ASP 76 CO 0.75 -0.91 0.06 -1.61 0.21 0.00 0.00 175.17 173.66 1jge s GLU 77 N 1.07 3.91 0.23 8.23 2.02 -1.26 -4.74 118.70 128.16 1jge s GLU 77 Ca 0.72 -0.38 0.09 0.00 0.02 0.00 0.00 54.97 55.43 1jge s GLU 77 Cb -0.47 -3.21 -0.04 0.00 0.10 0.00 0.00 34.13 30.50 1jge s GLU 77 CO 0.32 0.21 -0.06 0.71 0.02 0.00 0.00 175.26 176.46 1jge s TYR 78 N 0.55 2.64 0.29 1.61 2.02 -1.26 -0.60 117.35 122.60 1jge s TYR 78 Ca 0.03 -0.23 -0.19 0.00 -0.37 0.00 0.00 57.07 56.31 1jge s TYR 78 Cb -0.13 -1.22 0.02 0.00 -0.40 0.00 0.00 41.96 40.24 1jge s TYR 78 CO 0.01 0.59 0.70 0.00 -1.57 0.00 0.00 175.55 175.28 1jge s ALA 79 N -2.09 -1.02 -0.04 3.71 0.00 -0.77 -0.85 121.76 120.71 1jge s ALA 79 Ca 0.29 -0.45 0.04 0.00 0.00 0.00 0.00 51.96 51.84 1jge s ALA 79 Cb -0.07 0.86 -0.00 0.00 0.00 0.00 0.00 23.12 23.91 1jge s ALA 79 CO 0.18 -1.01 -0.15 0.00 0.00 0.00 0.00 175.76 174.78 1jge s ARG 81 N 0.11 3.11 -0.05 0.00 3.52 0.74 -0.60 118.95 125.79 1jge s ARG 81 Ca -0.04 -0.80 0.03 0.00 -0.13 0.00 0.00 55.73 54.79 1jge s ARG 81 Cb -0.11 -2.53 0.00 0.00 -1.56 0.00 0.00 34.95 30.76 1jge s ARG 81 CO 0.02 -0.00 -0.15 0.08 -0.81 0.00 0.00 175.30 174.44 1jge s VAL 82 N 0.82 1.29 0.10 7.11 1.01 0.13 -1.28 120.40 129.59 1jge s VAL 82 Ca -0.06 -0.61 0.10 0.00 0.00 0.00 0.00 61.98 61.40 1jge s VAL 82 Cb -0.15 -1.13 -0.04 0.00 0.00 0.00 0.00 36.38 35.06 1jge s VAL 82 CO -0.01 0.38 -0.25 0.21 0.00 0.00 0.00 175.10 175.43 1jge s ASN 83 N 0.27 2.99 -0.05 3.32 3.04 -0.57 -0.05 114.94 123.89 1jge s ASN 83 Ca -0.08 -0.69 -0.30 0.00 0.04 0.00 0.00 52.86 51.84 1jge s ASN 83 Cb -0.13 -0.20 0.09 0.00 -1.54 0.00 0.00 41.25 39.46 1jge s ASN 83 CO 0.03 0.15 0.77 -2.28 -3.04 0.00 0.00 177.10 172.73 1jge s HIS 84 N -1.03 -0.55 0.55 0.43 2.46 -1.26 -2.23 115.29 113.67 1jge s HIS 84 Ca 0.11 0.86 0.28 0.00 0.47 0.00 0.00 55.06 56.78 1jge s HIS 84 Cb -0.10 0.44 1.46 0.00 -0.13 0.00 0.00 32.58 34.26 1jge s HIS 84 CO 0.04 -0.56 1.95 -0.24 -2.47 0.00 0.00 174.74 173.47 1jge h VAL 85 N 2.72 0.57 0.00 0.89 3.04 -1.95 0.81 116.25 122.32 1jge h VAL 85 Ca -0.25 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.44 1jge h VAL 85 Cb 1.17 0.67 0.00 0.00 -2.01 0.00 0.00 31.29 31.12 1jge h VAL 85 CO 0.36 0.00 0.00 0.35 -1.01 0.00 0.00 177.57 177.27 1jge n THR 86 N -4.12 0.01 -3.76 3.17 -2.24 -1.26 -4.74 114.28 101.33 1jge n THR 86 Ca 0.11 0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 61.53 1jge n THR 86 Cb 0.69 -0.50 -0.11 0.00 -2.10 0.00 0.00 70.33 68.30 1jge n THR 86 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1jge s LEU 87 N -2.94 3.76 0.45 3.22 1.43 0.28 -4.95 118.68 119.93 1jge s LEU 87 Ca 0.16 -0.05 0.31 0.00 -1.03 0.00 0.00 54.13 53.52 1jge s LEU 87 Cb 0.19 -2.00 1.57 0.00 0.03 0.00 0.00 46.19 45.98 1jge s LEU 87 CO 0.52 0.02 1.94 0.77 0.23 0.00 0.00 176.35 179.83 1jge h SER 88 N 7.82 0.00 -4.69 2.29 4.64 -1.85 -3.42 113.55 118.34 1jge h SER 88 Ca -0.37 0.00 0.10 0.00 -0.47 0.00 0.00 61.79 61.05 1jge h SER 88 Cb 1.18 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.12 1jge h SER 88 CO 0.61 0.00 0.47 0.00 -0.87 0.00 0.00 176.83 177.04 1jge s GLN 89 N -3.72 0.87 0.22 4.77 -2.07 -1.26 -5.14 119.66 113.32 1jge s GLN 89 Ca -0.02 -0.32 -0.32 0.00 -1.82 0.00 0.00 55.36 52.88 1jge s GLN 89 Cb 0.09 0.40 -0.14 0.00 -1.09 0.00 0.00 33.01 32.27 1jge s GLN 89 CO 0.34 -0.38 1.41 -2.30 -1.32 0.00 0.00 175.29 173.04 1jge n PRO 90 N -0.26 1.94 -3.55 9.60 -0.02 -1.26 -4.90 135.00 136.54 1jge n PRO 90 Ca -0.09 0.69 -0.37 0.00 -2.02 0.00 0.00 63.50 61.71 1jge n PRO 90 Cb 0.62 -2.35 -0.08 0.00 -0.02 0.00 0.00 33.50 31.67 1jge n PRO 90 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1jge s LYS 91 N -0.19 4.14 -0.21 -0.52 2.20 0.93 -4.87 119.74 121.22 1jge s LYS 91 Ca 0.71 -0.05 -0.05 0.00 -0.36 0.00 0.00 55.97 56.22 1jge s LYS 91 Cb -0.68 -3.51 -0.02 0.00 -1.51 0.00 0.00 37.83 32.11 1jge s LYS 91 CO 0.48 0.07 -0.01 0.42 -0.36 0.00 0.00 175.35 175.95 1jge s ILE 92 N 1.01 3.75 -0.16 5.43 1.01 -1.26 0.17 121.20 131.15 1jge s ILE 92 Ca 0.13 -0.38 -0.01 0.00 0.00 0.00 0.00 60.65 60.39 1jge s ILE 92 Cb -0.14 -2.70 -0.01 0.00 0.01 0.00 0.00 42.46 39.62 1jge s ILE 92 CO 0.05 0.42 -0.12 -0.69 0.00 0.00 0.00 174.94 174.60 1jge s VAL 93 N 1.25 3.01 0.33 2.92 1.01 0.23 -4.96 120.40 124.19 1jge s VAL 93 Ca 0.03 -0.65 -0.26 0.00 0.00 0.00 0.00 61.98 61.10 1jge s VAL 93 Cb -0.15 -2.29 -0.10 0.00 0.00 0.00 0.00 36.38 33.84 1jge s VAL 93 CO 0.00 0.50 0.94 -0.54 0.00 0.00 0.00 175.10 176.00 1jge s LYS 94 N 0.73 4.56 -0.05 2.72 1.02 -1.26 -0.88 119.74 126.58 1jge s LYS 94 Ca -0.05 1.30 -0.30 0.00 0.02 0.00 0.00 55.97 56.94 1jge s LYS 94 Cb -0.15 -2.77 -0.03 0.00 -0.52 0.00 0.00 37.83 34.35 1jge s LYS 94 CO 0.02 0.27 1.22 -0.46 -0.92 0.00 0.00 175.35 175.47 1jge s TRP 95 N -1.64 3.16 -0.21 3.18 -0.00 -0.03 -4.86 118.94 118.54 1jge s TRP 95 Ca 0.51 1.18 0.01 0.00 -0.00 0.00 0.00 56.10 57.80 1jge s TRP 95 Cb -0.18 -3.44 0.05 0.00 -0.00 0.00 0.00 33.47 29.89 1jge s TRP 95 CO 0.23 -1.41 -0.10 0.34 -0.00 0.00 0.00 176.95 176.01 1jge s ASP 96 N 1.51 3.51 0.00 5.86 -1.08 -1.26 -4.71 116.67 120.49 1jge s ASP 96 Ca 0.57 -0.95 0.00 0.00 -0.52 0.00 0.00 52.55 51.65 1jge s ASP 96 Cb -0.25 -1.24 0.00 0.00 -1.46 0.00 0.00 42.92 39.96 1jge s ASP 96 CO 0.22 -0.16 0.94 -2.11 0.52 0.00 0.00 175.17 174.59 1jge n ARG 97 N 4.67 0.00 -0.04 4.34 1.85 -1.26 -0.73 116.66 125.48 1jge n ARG 97 Ca -0.14 0.44 0.12 0.00 -1.00 0.00 0.00 57.85 57.28 1jge n ARG 97 Cb 0.46 -1.53 0.36 0.00 -1.05 0.00 0.00 32.46 30.70 1jge n ARG 97 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 1jge n ASP 98 N -1.44 2.07 0.00 2.89 8.00 -1.26 -4.84 116.55 121.97 1jge n ASP 98 Ca 0.00 -1.71 0.00 0.00 0.71 0.00 0.00 54.79 53.79 1jge n ASP 98 Cb 0.03 -0.06 0.00 0.00 -0.02 0.00 0.00 41.12 41.07 1jge n ASP 98 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04