#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1prt n PRO 3 N 0.00 0.53 -1.10 3.23 -0.02 -1.26 -4.90 135.00 131.49 1prt n PRO 3 Ca 0.00 -1.36 -0.30 0.00 -2.02 0.00 0.00 63.50 59.81 1prt n PRO 3 Cb 0.00 -2.77 0.13 0.00 -0.02 0.00 0.00 33.50 30.84 1prt n PRO 3 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1prt s THR 4 N 7.22 2.75 0.33 3.45 2.01 -1.26 -3.98 115.64 126.16 1prt s THR 4 Ca 0.66 0.24 -0.11 0.00 0.31 0.00 0.00 61.69 62.80 1prt s THR 4 Cb 0.13 -2.63 0.02 0.00 0.01 0.00 0.00 72.50 70.03 1prt s THR 4 CO 0.26 -0.32 0.60 -1.00 -0.69 0.00 0.00 174.62 173.47 1prt s HIS 5 N -2.85 0.50 -0.09 4.92 3.76 -0.53 -4.95 115.29 116.04 1prt s HIS 5 Ca 0.63 -0.92 -0.07 0.00 -0.15 0.00 0.00 55.06 54.55 1prt s HIS 5 Cb -0.19 0.34 0.03 0.00 1.11 0.00 0.00 32.58 33.87 1prt s HIS 5 CO 0.57 -1.25 0.24 -1.17 -0.85 0.00 0.00 174.74 172.28 1prt s LEU 6 N -3.11 0.88 -0.13 0.89 0.20 -1.26 -2.91 118.68 113.25 1prt s LEU 6 Ca 0.22 0.50 -0.00 0.00 0.69 0.00 0.00 54.13 55.53 1prt s LEU 6 Cb -0.02 0.80 0.03 0.00 -0.43 0.00 0.00 46.19 46.56 1prt s LEU 6 CO 0.14 -0.11 -0.08 -0.31 -0.29 0.00 0.00 176.35 175.70 1prt s TYR 7 N 0.47 1.61 0.13 5.38 1.51 -0.06 -4.98 117.35 121.41 1prt s TYR 7 Ca -0.03 -0.86 0.05 0.00 -1.01 0.00 0.00 57.07 55.22 1prt s TYR 7 Cb -0.04 -1.30 -0.04 0.00 -0.11 0.00 0.00 41.96 40.47 1prt s TYR 7 CO -0.02 -0.55 0.07 0.15 -1.11 0.00 0.00 175.55 174.08 1prt s LYS 8 N 1.67 2.71 -1.44 -0.62 1.02 -1.26 0.17 119.74 121.99 1prt s LYS 8 Ca 0.04 -0.88 -0.02 0.00 0.02 0.00 0.00 55.97 55.13 1prt s LYS 8 Cb -0.13 -2.58 0.01 0.00 -0.52 0.00 0.00 37.83 34.61 1prt s LYS 8 CO -0.08 0.51 0.18 0.09 -0.92 0.00 0.00 175.35 175.12 1prt n ASN 9 N 0.06 -5.04 -4.88 2.83 3.02 -0.30 -4.96 115.26 105.99 1prt n ASN 9 Ca -0.09 -0.04 -0.34 0.00 -0.03 0.00 0.00 54.58 54.07 1prt n ASN 9 Cb 0.54 -4.18 -0.05 0.00 -0.61 0.00 0.00 39.78 35.47 1prt n ASN 9 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1prt s PHE 10 N -2.92 3.56 0.11 3.10 0.08 -1.06 -4.80 117.98 116.05 1prt s PHE 10 Ca 0.11 0.63 0.03 0.00 0.12 0.00 0.00 56.93 57.82 1prt s PHE 10 Cb -0.05 -2.04 -0.04 0.00 -0.57 0.00 0.00 43.02 40.32 1prt s PHE 10 CO 0.13 0.55 0.16 0.99 -0.10 0.00 0.00 175.22 176.95 1prt s THR 11 N -1.41 4.85 -0.21 0.64 2.01 -0.57 0.36 115.64 121.30 1prt s THR 11 Ca 0.32 -0.75 -0.21 0.00 0.31 0.00 0.00 61.69 61.37 1prt s THR 11 Cb -0.13 -3.41 -0.02 0.00 0.01 0.00 0.00 72.50 68.95 1prt s THR 11 CO 0.19 0.03 0.63 -0.69 -0.69 0.00 0.00 174.62 174.09 1prt s VAL 12 N -1.57 5.01 -0.15 3.82 1.01 -1.26 0.29 120.40 127.55 1prt s VAL 12 Ca 0.32 1.17 0.05 0.00 0.00 0.00 0.00 61.98 63.52 1prt s VAL 12 Cb -0.12 -3.94 -0.13 0.00 0.00 0.00 0.00 36.38 32.19 1prt s VAL 12 CO 0.25 0.09 -0.07 0.00 0.00 0.00 0.00 175.10 175.36 1prt n GLN 13 N 5.21 0.97 -4.71 2.72 6.02 0.10 -4.95 117.38 122.74 1prt n GLN 13 Ca -0.01 0.06 -0.23 0.00 -0.01 0.00 0.00 57.00 56.80 1prt n GLN 13 Cb 0.49 -1.33 -0.15 0.00 1.02 0.00 0.00 30.24 30.27 1prt n GLN 13 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 1prt s GLU 14 N -2.32 1.25 -0.02 -1.09 2.02 -1.20 -4.96 118.70 112.38 1prt s GLU 14 Ca -0.16 -0.54 0.00 0.00 0.02 0.00 0.00 54.97 54.29 1prt s GLU 14 Cb 0.05 -1.20 0.02 0.00 0.10 0.00 0.00 34.13 33.09 1prt s GLU 14 CO 0.44 0.32 0.00 -1.17 0.02 0.00 0.00 175.26 174.87 1prt s LEU 15 N -0.33 1.46 -0.24 1.80 2.96 -1.26 -1.33 118.68 121.74 1prt s LEU 15 Ca 0.05 -0.01 -0.12 0.00 -0.22 0.00 0.00 54.13 53.84 1prt s LEU 15 Cb -0.06 -0.13 0.08 0.00 0.50 0.00 0.00 46.19 46.59 1prt s LEU 15 CO -0.00 -0.06 0.56 0.00 -1.32 0.00 0.00 176.35 175.52 1prt s ALA 16 N 0.64 -1.54 -0.29 5.97 0.00 -0.23 -4.99 121.76 121.32 1prt s ALA 16 Ca -0.06 2.00 -0.09 0.00 0.00 0.00 0.00 51.96 53.81 1prt s ALA 16 Cb -0.09 -1.31 -0.01 0.00 0.00 0.00 0.00 23.12 21.71 1prt s ALA 16 CO -0.01 -0.49 0.12 -1.17 0.00 0.00 0.00 175.76 174.21 1prt s LEU 17 N 1.91 3.91 0.00 0.00 2.96 -1.26 -1.28 118.68 124.91 1prt s LEU 17 Ca -0.08 -0.45 0.01 0.00 -0.22 0.00 0.00 54.13 53.38 1prt s LEU 17 Cb -0.08 -1.97 -0.00 0.00 0.50 0.00 0.00 46.19 44.64 1prt s LEU 17 CO -0.17 -0.15 0.03 0.29 -1.32 0.00 0.00 176.35 175.03 1prt n LYS 18 N 4.95 0.96 -5.25 1.98 5.02 0.71 -5.00 118.16 121.53 1prt n LYS 18 Ca -0.14 -0.75 -0.31 0.00 -2.02 0.00 0.00 58.31 55.09 1prt n LYS 18 Cb 0.50 0.38 -0.16 0.00 -0.02 0.00 0.00 35.03 35.73 1prt n LYS 18 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1prt s LEU 19 N 0.00 2.06 -0.36 -0.35 2.96 -1.26 -1.76 118.68 119.97 1prt s LEU 19 Ca 0.04 -0.47 0.00 0.00 -0.22 0.00 0.00 54.13 53.48 1prt s LEU 19 Cb 0.00 -1.32 0.10 0.00 0.50 0.00 0.00 46.19 45.48 1prt s LEU 19 CO 0.03 0.31 0.11 -0.75 -1.32 0.00 0.00 176.35 174.73 1prt s LYS 20 N -0.66 1.81 5.38 1.98 2.20 0.40 -4.93 119.74 125.93 1prt s LYS 20 Ca 0.10 -1.79 0.00 0.00 -0.36 0.00 0.00 55.97 53.92 1prt s LYS 20 Cb -0.10 -3.36 0.00 0.00 -1.51 0.00 0.00 37.83 32.86 1prt s LYS 20 CO -0.01 -0.96 0.00 0.41 -0.36 0.00 0.00 175.35 174.43 1prt n GLY 21 N 4.44 1.05 1.40 5.54 0.00 -1.26 0.72 105.19 117.08 1prt n GLY 21 Ca -0.01 0.43 -0.05 0.00 0.00 0.00 0.00 46.02 46.39 1prt n GLY 21 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1prt n LYS 22 N 0.00 2.11 -4.56 1.61 4.01 -1.26 -4.99 118.16 115.07 1prt n LYS 22 Ca 0.00 -3.47 -0.23 0.00 -0.51 0.00 0.00 58.31 54.10 1prt n LYS 22 Cb 0.00 -1.65 -0.16 0.00 -0.51 0.00 0.00 35.03 32.71 1prt n LYS 22 CO 0.00 0.00 0.00 -0.80 -1.11 0.00 0.00 177.40 175.49 1prt s ASN 23 N -3.27 1.63 0.77 4.39 -0.87 0.22 -5.11 114.94 112.71 1prt s ASN 23 Ca 0.41 -0.26 -0.11 0.00 -1.57 0.00 0.00 52.86 51.33 1prt s ASN 23 Cb 0.38 -0.56 0.05 0.00 -0.02 0.00 0.00 41.25 41.11 1prt s ASN 23 CO -0.04 0.07 1.09 -1.10 -2.57 0.00 0.00 177.10 174.56 1prt s GLN 24 N 0.33 2.27 -0.25 -0.60 -0.21 -1.26 0.15 119.66 120.08 1prt s GLN 24 Ca -0.07 1.20 -0.27 0.00 0.02 0.00 0.00 55.36 56.23 1prt s GLN 24 Cb -0.12 -1.90 0.16 0.00 1.00 0.00 0.00 33.01 32.15 1prt s GLN 24 CO 0.02 -1.64 1.21 -2.00 -2.12 0.00 0.00 175.29 170.76 1prt s GLU 25 N -4.83 0.30 0.13 2.91 2.12 -0.72 -1.34 118.70 117.27 1prt s GLU 25 Ca 0.62 0.19 0.04 0.00 0.36 0.00 0.00 54.97 56.18 1prt s GLU 25 Cb -0.18 0.14 -0.04 0.00 0.26 0.00 0.00 34.13 34.32 1prt s GLU 25 CO 0.55 -0.07 -0.11 -0.59 -0.54 0.00 0.00 175.26 174.50 1prt s PHE 26 N -0.51 1.22 0.14 5.30 -0.71 -0.45 -0.21 117.98 122.76 1prt s PHE 26 Ca 0.04 -0.71 -0.12 0.00 -1.04 0.00 0.00 56.93 55.10 1prt s PHE 26 Cb -0.03 -0.63 0.01 0.00 -1.21 0.00 0.00 43.02 41.16 1prt s PHE 26 CO -0.07 0.06 0.34 0.00 -1.34 0.00 0.00 175.22 174.21 1prt s LEU 28 N -2.89 1.52 -0.30 0.00 0.05 -0.70 -1.06 118.68 115.31 1prt s LEU 28 Ca 0.09 -0.48 0.03 0.00 0.05 0.00 0.00 54.13 53.82 1prt s LEU 28 Cb 0.02 0.86 0.07 0.00 -2.05 0.00 0.00 46.19 45.10 1prt s LEU 28 CO -0.06 -0.58 -0.04 -0.89 -0.55 0.00 0.00 176.35 174.24 1prt s THR 29 N -2.85 2.33 -0.09 5.48 2.01 -0.44 -2.49 115.64 119.59 1prt s THR 29 Ca -0.03 -1.86 -0.20 0.00 0.31 0.00 0.00 61.69 59.91 1prt s THR 29 Cb 0.00 -2.49 -0.04 0.00 0.01 0.00 0.00 72.50 69.98 1prt s THR 29 CO -0.06 -0.25 0.56 0.00 -0.69 0.00 0.00 174.62 174.18 1prt s ALA 30 N 1.05 3.44 0.01 7.40 0.00 0.54 0.01 121.76 134.21 1prt s ALA 30 Ca -0.02 -0.07 0.03 0.00 0.00 0.00 0.00 51.96 51.90 1prt s ALA 30 Cb -0.20 -2.75 -0.01 0.00 0.00 0.00 0.00 23.12 20.16 1prt s ALA 30 CO -0.06 -0.01 -0.08 0.12 0.00 0.00 0.00 175.76 175.73 1prt s PHE 31 N 0.58 0.75 -0.03 0.00 2.19 0.14 0.37 117.98 121.98 1prt s PHE 31 Ca 0.30 -0.22 0.03 0.00 0.33 0.00 0.00 56.93 57.37 1prt s PHE 31 Cb -0.16 -0.47 0.00 0.00 -1.31 0.00 0.00 43.02 41.09 1prt s PHE 31 CO 0.13 -0.02 -0.11 1.41 1.83 0.00 0.00 175.22 178.47 1prt s MET 32 N -0.54 1.19 0.20 10.12 1.75 -1.25 -1.52 119.30 129.25 1prt s MET 32 Ca 0.01 -0.37 -0.19 0.00 -1.25 0.00 0.00 55.69 53.89 1prt s MET 32 Cb -0.05 -1.07 0.17 0.00 2.84 0.00 0.00 34.83 36.72 1prt s MET 32 CO 0.00 0.13 1.45 0.45 -0.65 0.00 0.00 175.02 176.40 1prt n SER 33 N 3.33 -0.68 0.00 1.11 2.88 -1.26 -0.69 113.62 118.31 1prt n SER 33 Ca -0.19 1.64 0.04 0.00 -1.33 0.00 0.00 58.87 59.03 1prt n SER 33 Cb 0.54 -0.34 0.21 0.00 -0.75 0.00 0.00 64.21 63.86 1prt n SER 33 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1prt n GLY 34 N -1.40 -0.57 0.00 0.46 0.00 -1.26 -4.88 105.19 97.53 1prt n GLY 34 Ca 0.08 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1prt n GLY 34 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1prt n ARG 35 N -1.29 0.00 -0.27 1.61 1.85 0.14 -5.17 116.66 113.52 1prt n ARG 35 Ca 0.04 0.00 -0.11 0.00 -1.00 0.00 0.00 57.85 56.78 1prt n ARG 35 Cb 0.07 0.00 0.10 0.00 -1.05 0.00 0.00 32.46 31.58 1prt n ARG 35 CO 0.00 0.00 0.00 -1.13 -0.01 0.00 0.00 177.63 176.49 1prt n SER 36 N 0.00 -1.98 -4.55 2.89 3.41 -1.26 -4.60 113.62 107.52 1prt n SER 36 Ca 0.00 -0.58 -0.34 0.00 -0.26 0.00 0.00 58.87 57.69 1prt n SER 36 Cb 0.00 -0.38 -0.11 0.00 -0.26 0.00 0.00 64.21 63.46 1prt n SER 36 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1prt s LEU 37 N 0.00 3.29 -0.25 1.04 1.43 -1.26 -3.82 118.68 119.11 1prt s LEU 37 Ca 0.26 -0.06 -0.09 0.00 -1.03 0.00 0.00 54.13 53.21 1prt s LEU 37 Cb -0.03 -1.77 -0.04 0.00 0.03 0.00 0.00 46.19 44.38 1prt s LEU 37 CO 0.21 0.25 0.13 -0.69 0.23 0.00 0.00 176.35 176.48 1prt s VAL 38 N -0.13 4.94 -0.16 -1.59 1.01 0.16 -4.92 120.40 119.71 1prt s VAL 38 Ca 0.03 0.04 -0.01 0.00 0.00 0.00 0.00 61.98 62.03 1prt s VAL 38 Cb -0.13 -3.31 -0.01 0.00 0.00 0.00 0.00 36.38 32.93 1prt s VAL 38 CO 0.02 0.32 -0.11 -0.13 0.00 0.00 0.00 175.10 175.21 1prt s ARG 39 N 1.41 3.35 0.07 2.72 3.00 -1.26 -0.34 118.95 127.90 1prt s ARG 39 Ca 0.06 -0.68 0.03 0.00 0.00 0.00 0.00 55.73 55.15 1prt s ARG 39 Cb -0.15 -2.75 -0.03 0.00 0.00 0.00 0.00 34.95 32.03 1prt s ARG 39 CO 0.06 0.05 -0.10 0.00 0.00 0.00 0.00 175.30 175.31 1prt s ALA 40 N 0.79 0.92 -0.03 2.13 0.00 -1.04 -1.00 121.76 123.53 1prt s ALA 40 Ca -0.04 -1.00 -0.00 0.00 0.00 0.00 0.00 51.96 50.91 1prt s ALA 40 Cb -0.15 0.02 0.03 0.00 0.00 0.00 0.00 23.12 23.02 1prt s ALA 40 CO 0.01 -0.00 0.02 0.00 0.00 0.00 0.00 175.76 175.79 1prt s LEU 42 N 1.18 3.66 0.07 0.00 0.20 -0.48 -3.38 118.68 119.93 1prt s LEU 42 Ca -0.08 -0.03 0.05 0.00 0.69 0.00 0.00 54.13 54.76 1prt s LEU 42 Cb -0.13 -1.95 -0.04 0.00 -0.43 0.00 0.00 46.19 43.65 1prt s LEU 42 CO -0.03 0.10 -0.05 -0.44 -0.29 0.00 0.00 176.35 175.65 1prt s SER 43 N 0.83 4.75 -0.29 3.68 0.01 -1.26 -1.34 113.70 120.07 1prt s SER 43 Ca 0.03 -0.22 -0.28 0.00 1.31 0.00 0.00 55.95 56.79 1prt s SER 43 Cb -0.14 -1.07 -0.03 0.00 0.21 0.00 0.00 66.02 64.99 1prt s SER 43 CO 0.02 0.21 1.88 -0.62 0.41 0.00 0.00 173.24 175.14 1prt s ASP 44 N -2.01 5.83 0.00 2.44 2.15 -0.45 -4.83 116.67 119.80 1prt s ASP 44 Ca 0.22 1.46 0.00 0.00 0.43 0.00 0.00 52.55 54.66 1prt s ASP 44 Cb -0.11 -2.52 0.00 0.00 -0.30 0.00 0.00 42.92 39.98 1prt s ASP 44 CO 0.14 -1.73 0.16 0.00 -0.17 0.00 0.00 175.17 173.57 1prt n ALA 45 N 10.44 1.56 0.00 3.66 0.00 -1.26 -4.66 120.51 130.25 1prt n ALA 45 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.68 1prt n ALA 45 Cb 0.46 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.91 1prt n ALA 45 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1prt n GLY 46 N -0.06 1.39 3.54 0.00 0.00 -1.26 -4.88 105.19 103.93 1prt n GLY 46 Ca 0.00 -0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.63 1prt n GLY 46 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1prt n HIS 47 N 0.00 1.38 -2.32 1.61 8.25 -1.26 -4.85 115.22 118.03 1prt n HIS 47 Ca 0.00 0.14 -0.41 0.00 -0.26 0.00 0.00 57.72 57.19 1prt n HIS 47 Cb 0.00 -2.61 -0.03 0.00 1.12 0.00 0.00 29.99 28.48 1prt n HIS 47 CO 0.00 0.00 0.00 -2.00 0.64 0.00 0.00 176.34 174.98 1prt s GLU 48 N 8.03 3.16 0.00 -0.41 2.56 -1.26 -2.79 118.70 127.99 1prt s GLU 48 Ca 1.04 0.45 0.00 0.00 0.00 0.00 0.00 54.97 56.46 1prt s GLU 48 Cb -0.38 -4.19 0.00 0.00 2.00 0.00 0.00 34.13 31.56 1prt s GLU 48 CO 0.32 -2.12 0.00 1.58 -0.56 0.00 0.00 175.26 174.48 1prt n HIS 49 N 10.22 0.00 -1.07 5.30 -0.00 -1.26 -5.06 115.22 123.35 1prt n HIS 49 Ca 0.13 0.00 -0.24 0.00 -0.00 0.00 0.00 57.72 57.62 1prt n HIS 49 Cb 0.50 0.00 -0.10 0.00 -0.00 0.00 0.00 29.99 30.39 1prt n HIS 49 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.34 176.09 1prt n ASP 50 N 0.00 0.74 0.15 0.26 8.00 -1.12 -4.54 116.55 120.04 1prt n ASP 50 Ca 0.00 -2.25 0.11 0.00 0.71 0.00 0.00 54.79 53.36 1prt n ASP 50 Cb 0.00 -1.03 0.56 0.00 -0.02 0.00 0.00 41.12 40.63 1prt n ASP 50 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 1prt n THR 51 N 7.49 0.99 -0.26 -3.53 -1.04 -1.26 -1.90 114.28 114.78 1prt n THR 51 Ca 0.37 0.61 0.06 0.00 -2.04 0.00 0.00 64.05 63.04 1prt n THR 51 Cb 0.44 -1.59 0.18 0.00 -1.82 0.00 0.00 70.33 67.53 1prt n THR 51 CO 0.00 0.00 0.00 -0.25 -0.64 0.00 0.00 175.07 174.18 1prt h TRP 52 N 0.00 0.09 0.03 -1.42 7.01 -1.99 -0.49 115.95 119.17 1prt h TRP 52 Ca 0.00 0.05 0.03 0.00 2.11 0.00 0.00 58.89 61.08 1prt h TRP 52 Cb 0.09 0.08 -0.04 0.00 -2.10 0.00 0.00 29.16 27.19 1prt h TRP 52 CO 0.00 -0.19 -0.27 0.35 -2.79 0.00 0.00 178.44 175.54 1prt h PHE 53 N 0.16 -0.72 0.56 2.65 3.57 -1.76 0.28 116.94 121.67 1prt h PHE 53 Ca 0.42 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.93 1prt h PHE 53 Cb 0.75 0.31 -0.01 0.00 2.79 0.00 0.00 35.95 39.80 1prt h PHE 53 CO -0.36 -0.36 -0.38 -0.44 -2.23 0.00 0.00 178.31 174.55 1prt h ASP 54 N -0.43 -0.96 -0.47 0.41 3.32 -1.44 -0.09 116.42 116.76 1prt h ASP 54 Ca 0.05 0.06 0.09 0.00 0.02 0.00 0.00 57.03 57.26 1prt h ASP 54 Cb 0.50 0.29 -0.10 0.00 0.22 0.00 0.00 39.33 40.24 1prt h ASP 54 CO -0.21 -0.57 -0.29 0.74 -1.72 0.00 0.00 179.24 177.18 1prt h THR 55 N -0.90 0.25 -0.55 0.35 2.02 -0.83 0.30 112.91 113.56 1prt h THR 55 Ca -0.07 0.00 -0.10 0.00 0.77 0.00 0.00 66.41 67.01 1prt h THR 55 Cb 0.74 0.25 -0.02 0.00 -1.74 0.00 0.00 68.15 67.39 1prt h THR 55 CO 0.05 0.00 -0.07 0.24 0.37 0.00 0.00 175.52 176.11 1prt h MET 56 N -0.18 0.99 -0.47 6.66 2.86 -0.42 -0.25 114.93 124.11 1prt h MET 56 Ca 0.21 -0.34 0.05 0.00 -2.06 0.00 0.00 59.70 57.56 1prt h MET 56 Cb 0.52 -0.08 -0.05 0.00 0.06 0.00 0.00 31.60 32.06 1prt h MET 56 CO -0.58 1.02 0.21 1.25 1.06 0.00 0.00 176.91 179.87 1prt h LEU 57 N 0.90 0.29 -0.01 1.22 6.46 0.95 0.79 115.31 125.90 1prt h LEU 57 Ca 0.15 0.04 -0.00 0.00 -0.12 0.00 0.00 57.88 57.94 1prt h LEU 57 Cb 0.61 -0.01 -0.00 0.00 -0.73 0.00 0.00 40.66 40.53 1prt h LEU 57 CO 0.04 0.20 0.01 1.23 -0.62 0.00 0.00 178.44 179.30 1prt h GLY 58 N 0.43 0.02 0.79 3.75 0.00 -0.21 0.52 103.07 108.36 1prt h GLY 58 Ca 0.21 -0.01 0.03 0.00 0.00 0.00 0.00 47.33 47.57 1prt h GLY 58 CO -0.17 0.01 0.21 -2.75 0.00 0.00 0.00 176.54 173.83 1prt h PHE 59 N -0.02 0.38 -0.57 5.60 3.57 -0.09 0.16 116.94 125.97 1prt h PHE 59 Ca 0.00 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.53 1prt h PHE 59 Cb 0.03 -0.11 -0.03 0.00 2.79 0.00 0.00 35.95 38.64 1prt h PHE 59 CO -0.07 0.20 0.38 0.00 -2.23 0.00 0.00 178.31 176.59 1prt h ALA 60 N 1.22 0.73 -0.70 2.41 0.00 0.91 0.12 119.26 123.95 1prt h ALA 60 Ca 0.18 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 1prt h ALA 60 Cb 0.09 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 1prt h ALA 60 CO -0.13 0.17 0.24 0.82 0.00 0.00 0.00 179.25 180.36 1prt h ILE 61 N 0.78 1.25 -0.55 0.00 2.04 0.22 0.31 117.51 121.57 1prt h ILE 61 Ca 0.21 -0.85 -0.02 0.00 1.00 0.00 0.00 64.86 65.20 1prt h ILE 61 Cb -0.08 0.48 -0.03 0.00 -0.74 0.00 0.00 36.82 36.45 1prt h ILE 61 CO -0.04 0.33 0.27 0.28 0.00 0.00 0.00 178.15 178.99 1prt h SER 62 N 1.02 0.71 -0.66 1.72 0.02 -0.21 0.81 113.55 116.98 1prt h SER 62 Ca 0.23 -0.12 -0.01 0.00 -0.84 0.00 0.00 61.79 61.05 1prt h SER 62 Cb 0.27 -0.18 -0.03 0.00 0.14 0.00 0.00 62.40 62.60 1prt h SER 62 CO -0.01 0.64 0.39 0.00 -1.14 0.00 0.00 176.83 176.70 1prt h ALA 63 N 1.11 0.84 -0.17 3.77 0.00 -0.17 0.19 119.26 124.82 1prt h ALA 63 Ca 0.19 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1prt h ALA 63 Cb 0.11 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1prt h ALA 63 CO -0.03 0.32 0.07 -0.92 0.00 0.00 0.00 179.25 178.70 1prt h TYR 64 N 0.89 0.26 -0.08 0.00 5.03 0.11 -1.96 116.97 121.22 1prt h TYR 64 Ca 0.23 -0.02 -0.00 0.00 2.58 0.00 0.00 58.73 61.52 1prt h TYR 64 Cb -0.01 -0.08 -0.00 0.00 1.55 0.00 0.00 36.73 38.19 1prt h TYR 64 CO -0.01 0.32 0.04 0.00 -1.32 0.00 0.00 178.16 177.19 1prt h ALA 65 N 0.91 0.10 0.00 1.82 0.00 0.96 -2.94 119.26 120.12 1prt h ALA 65 Ca 0.06 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1prt h ALA 65 Cb 0.17 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 1prt h ALA 65 CO -0.00 -0.36 -0.11 -0.07 0.00 0.00 0.00 179.25 178.71 1prt h LEU 66 N 0.04 0.00 -1.23 0.00 3.38 -0.61 -3.47 115.31 113.43 1prt h LEU 66 Ca 0.03 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.68 1prt h LEU 66 Cb 0.08 0.00 0.13 0.00 0.09 0.00 0.00 40.66 40.96 1prt h LEU 66 CO -0.00 0.11 -0.63 0.29 0.09 0.00 0.00 178.44 178.30 1prt n LYS 67 N -3.58 -6.46 -4.11 1.13 5.02 -0.74 -5.00 118.16 104.41 1prt n LYS 67 Ca -0.02 0.73 -0.27 0.00 -2.02 0.00 0.00 58.31 56.73 1prt n LYS 67 Cb 0.24 -5.45 -0.06 0.00 -0.02 0.00 0.00 35.03 29.74 1prt n LYS 67 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1prt s SER 68 N -3.67 5.30 0.20 4.39 1.04 -1.21 -4.98 113.70 114.76 1prt s SER 68 Ca 0.29 -0.18 -0.31 0.00 0.48 0.00 0.00 55.95 56.24 1prt s SER 68 Cb -0.13 -1.33 -0.09 0.00 0.10 0.00 0.00 66.02 64.57 1prt s SER 68 CO 0.64 0.10 1.42 -0.13 0.98 0.00 0.00 173.24 176.25 1prt s ARG 69 N -2.87 4.30 0.14 4.02 0.52 -1.26 -4.62 118.95 119.17 1prt s ARG 69 Ca 0.29 2.20 0.02 0.00 -0.52 0.00 0.00 55.73 57.73 1prt s ARG 69 Cb -0.10 -3.17 0.02 0.00 0.52 0.00 0.00 34.95 32.22 1prt s ARG 69 CO 0.22 -0.41 0.15 0.44 0.02 0.00 0.00 175.30 175.72 1prt n ILE 70 N 2.99 0.00 -3.33 1.52 -5.35 0.16 -1.38 119.36 113.97 1prt n ILE 70 Ca 0.09 -0.50 -0.08 0.00 -0.27 0.00 0.00 62.75 61.98 1prt n ILE 70 Cb 0.41 -0.66 -0.07 0.00 -1.74 0.00 0.00 39.64 37.58 1prt n ILE 70 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1prt s ALA 71 N -2.18 -1.18 0.02 -1.28 0.00 -0.75 -1.15 121.76 115.24 1prt s ALA 71 Ca 0.12 0.88 0.08 0.00 0.00 0.00 0.00 51.96 53.04 1prt s ALA 71 Cb -0.01 -1.75 -0.03 0.00 0.00 0.00 0.00 23.12 21.33 1prt s ALA 71 CO 0.07 -1.33 -0.22 -0.48 0.00 0.00 0.00 175.76 173.81 1prt s LEU 72 N 2.56 2.37 -0.38 0.00 2.34 0.13 -2.01 118.68 123.69 1prt s LEU 72 Ca 0.13 -0.47 -0.08 0.00 0.06 0.00 0.00 54.13 53.78 1prt s LEU 72 Cb -0.15 -1.41 0.06 0.00 -0.56 0.00 0.00 46.19 44.13 1prt s LEU 72 CO -0.18 0.28 0.19 -0.89 -1.06 0.00 0.00 176.35 174.69 1prt s THR 73 N -0.81 3.97 -0.17 5.48 2.01 -0.78 -0.88 115.64 124.45 1prt s THR 73 Ca 0.12 -1.34 -0.06 0.00 0.31 0.00 0.00 61.69 60.72 1prt s THR 73 Cb -0.10 -3.38 -0.04 0.00 0.01 0.00 0.00 72.50 68.99 1prt s THR 73 CO 0.03 -0.39 0.02 0.68 -0.69 0.00 0.00 174.62 174.27 1prt s VAL 74 N 1.39 4.43 0.00 3.82 -7.23 -1.14 -1.68 120.40 120.00 1prt s VAL 74 Ca 0.02 -0.16 0.00 0.00 -1.81 0.00 0.00 61.98 60.02 1prt s VAL 74 Cb -0.21 -2.98 0.00 0.00 0.56 0.00 0.00 36.38 33.75 1prt s VAL 74 CO 0.02 0.47 0.00 1.21 -0.31 0.00 0.00 175.10 176.49 1prt n GLU 75 N 3.52 3.46 -3.70 4.82 2.13 0.69 -1.45 120.64 130.11 1prt n GLU 75 Ca -0.17 0.00 -0.14 0.00 0.66 0.00 0.00 57.16 57.51 1prt n GLU 75 Cb 0.52 0.00 -0.08 0.00 0.27 0.00 0.00 31.44 32.16 1prt n GLU 75 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 1prt s ASP 76 N -1.12 -0.29 -0.13 4.31 1.01 -1.26 -4.49 116.67 114.70 1prt s ASP 76 Ca 0.00 0.17 -0.05 0.00 0.71 0.00 0.00 52.55 53.38 1prt s ASP 76 Cb 0.00 0.37 -0.04 0.00 1.01 0.00 0.00 42.92 44.27 1prt s ASP 76 CO 0.00 -0.52 0.05 -0.94 0.21 0.00 0.00 175.17 173.97 1prt s SER 77 N -1.45 5.61 0.00 0.27 1.04 -1.26 -4.77 113.70 113.14 1prt s SER 77 Ca -0.11 0.18 0.00 0.00 0.48 0.00 0.00 55.95 56.50 1prt s SER 77 Cb -0.03 -1.79 0.00 0.00 0.10 0.00 0.00 66.02 64.30 1prt s SER 77 CO 0.04 0.30 0.68 -0.81 0.98 0.00 0.00 173.24 174.44 1prt n PRO 78 N 2.65 0.53 -3.26 4.02 -0.04 -1.26 -4.41 135.00 133.22 1prt n PRO 78 Ca -0.18 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.31 1prt n PRO 78 Cb 0.53 -1.24 -0.02 0.00 -0.04 0.00 0.00 33.50 32.74 1prt n PRO 78 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 1prt s TYR 79 N 0.61 -1.14 0.94 0.54 -0.85 -1.26 -5.17 117.35 111.02 1prt s TYR 79 Ca 0.00 1.43 -0.11 0.00 -0.52 0.00 0.00 57.07 57.87 1prt s TYR 79 Cb 0.00 0.48 0.16 0.00 0.38 0.00 0.00 41.96 42.98 1prt s TYR 79 CO 0.00 -0.61 1.12 -1.25 -1.52 0.00 0.00 175.55 173.29 1prt s PRO 80 N 2.83 0.87 -0.57 -3.49 0.04 -1.26 -3.84 135.00 129.57 1prt s PRO 80 Ca 0.07 1.35 0.00 0.00 0.04 0.00 0.00 61.00 62.46 1prt s PRO 80 Cb -0.12 -1.73 0.00 0.00 0.04 0.00 0.00 34.50 32.70 1prt s PRO 80 CO -0.18 -2.66 0.00 0.41 0.04 0.00 0.00 177.00 174.61 1prt n GLY 81 N 0.04 0.52 2.83 0.56 0.00 -1.26 -5.03 105.19 102.86 1prt n GLY 81 Ca 0.10 -0.73 -0.15 0.00 0.00 0.00 0.00 46.02 45.25 1prt n GLY 81 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1prt s THR 82 N -2.25 0.05 0.31 2.61 2.01 -1.25 -5.14 115.64 111.98 1prt s THR 82 Ca 0.00 0.08 -0.29 0.00 0.31 0.00 0.00 61.69 61.79 1prt s THR 82 Cb 0.00 -0.12 -0.11 0.00 0.01 0.00 0.00 72.50 72.28 1prt s THR 82 CO 0.00 0.07 1.48 -2.84 -0.69 0.00 0.00 174.62 172.64 1prt s PRO 83 N 0.60 4.20 0.61 4.92 0.02 -1.26 -4.81 135.00 139.29 1prt s PRO 83 Ca -0.05 2.44 -0.09 0.00 0.02 0.00 0.00 61.00 63.32 1prt s PRO 83 Cb -0.08 -3.04 -0.01 0.00 0.02 0.00 0.00 34.50 31.39 1prt s PRO 83 CO -0.01 -0.48 0.98 0.20 -0.33 0.00 0.00 177.00 177.36 1prt s GLY 84 N 0.13 1.61 0.33 0.52 0.00 -0.17 -4.60 107.32 105.13 1prt s GLY 84 Ca 0.57 -0.38 -0.29 0.00 0.00 0.00 0.00 44.72 44.63 1prt s GLY 84 CO 0.51 -0.10 1.24 -0.35 0.00 0.00 0.00 173.10 174.41 1prt s ASP 85 N -4.25 6.87 -0.23 1.64 2.15 -1.26 -1.26 116.67 120.33 1prt s ASP 85 Ca 0.54 2.55 -0.11 0.00 0.43 0.00 0.00 52.55 55.97 1prt s ASP 85 Cb -0.11 -2.64 -0.05 0.00 -0.30 0.00 0.00 42.92 39.82 1prt s ASP 85 CO 0.50 -0.45 0.16 -0.22 -0.17 0.00 0.00 175.17 174.99 1prt s LEU 86 N -1.77 4.13 -0.05 -1.34 0.20 -1.22 -0.23 118.68 118.41 1prt s LEU 86 Ca 0.49 0.15 0.10 0.00 0.69 0.00 0.00 54.13 55.55 1prt s LEU 86 Cb -0.37 -2.12 -0.15 0.00 -0.43 0.00 0.00 46.19 43.13 1prt s LEU 86 CO 0.49 0.08 0.15 0.18 -0.29 0.00 0.00 176.35 176.95 1prt n LEU 87 N 4.17 0.00 -3.81 -0.68 4.32 -0.67 -4.74 117.00 115.58 1prt n LEU 87 Ca -0.15 0.00 -0.12 0.00 -0.02 0.00 0.00 56.01 55.72 1prt n LEU 87 Cb 0.52 0.10 -0.10 0.00 -1.62 0.00 0.00 43.42 42.32 1prt n LEU 87 CO 0.36 0.10 -0.09 -0.70 -1.22 0.00 0.00 177.39 175.83 1prt s GLU 88 N -2.53 0.48 -0.00 3.23 2.12 -1.19 -5.03 118.70 115.77 1prt s GLU 88 Ca -0.04 -0.11 -0.02 0.00 0.36 0.00 0.00 54.97 55.16 1prt s GLU 88 Cb 0.05 0.21 -0.00 0.00 0.26 0.00 0.00 34.13 34.65 1prt s GLU 88 CO 0.42 -0.11 0.04 -1.17 -0.54 0.00 0.00 175.26 173.90 1prt s LEU 89 N -0.90 1.92 -0.06 2.70 2.96 -1.26 -1.87 118.68 122.18 1prt s LEU 89 Ca -0.10 -0.17 -0.03 0.00 -0.22 0.00 0.00 54.13 53.62 1prt s LEU 89 Cb -0.05 0.23 0.03 0.00 0.50 0.00 0.00 46.19 46.91 1prt s LEU 89 CO 0.02 -0.18 0.13 -1.58 -1.32 0.00 0.00 176.35 173.42 1prt s GLN 90 N -0.75 0.08 -0.46 1.98 0.74 -0.85 -5.01 119.66 115.39 1prt s GLN 90 Ca -0.08 0.32 -0.21 0.00 0.05 0.00 0.00 55.36 55.44 1prt s GLN 90 Cb -0.05 -0.16 0.03 0.00 1.10 0.00 0.00 33.01 33.93 1prt s GLN 90 CO -0.00 -0.15 0.68 0.42 -0.55 0.00 0.00 175.29 175.69 1prt s ILE 91 N 1.04 4.78 1.01 -2.34 1.01 -1.26 -1.81 121.20 123.62 1prt s ILE 91 Ca -0.08 0.07 -0.12 0.00 0.00 0.00 0.00 60.65 60.52 1prt s ILE 91 Cb -0.11 -4.26 0.16 0.00 0.01 0.00 0.00 42.46 38.27 1prt s ILE 91 CO -0.05 -0.68 0.86 0.00 0.00 0.00 0.00 174.94 175.07 1prt n PRO 93 N -3.75 2.01 -2.00 0.00 -0.02 -1.26 -4.75 135.00 125.23 1prt n PRO 93 Ca 0.07 0.71 -0.42 0.00 -2.02 0.00 0.00 63.50 61.84 1prt n PRO 93 Cb 0.54 -2.28 -0.03 0.00 -0.02 0.00 0.00 33.50 31.70 1prt n PRO 93 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1prt s LEU 94 N -0.56 4.36 0.00 2.45 1.43 -1.26 -1.84 118.68 123.26 1prt s LEU 94 Ca 0.59 2.47 0.00 0.00 -1.03 0.00 0.00 54.13 56.16 1prt s LEU 94 Cb -0.60 -3.58 0.00 0.00 0.03 0.00 0.00 46.19 42.04 1prt s LEU 94 CO 0.59 -0.81 0.00 0.59 0.23 0.00 0.00 176.35 176.95 1prt n ASN 95 N 4.69 0.00 0.00 2.29 3.02 -1.26 -4.95 115.26 119.05 1prt n ASN 95 Ca 0.14 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.69 1prt n ASN 95 Cb 0.40 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.57 1prt n ASN 95 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1prt n GLY 96 N -2.00 4.82 3.12 7.41 0.00 -0.77 -5.14 105.19 112.63 1prt n GLY 96 Ca 0.00 -1.74 -0.16 0.00 0.00 0.00 0.00 46.02 44.13 1prt n GLY 96 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1prt s TYR 97 N 2.88 0.95 0.30 1.61 1.51 -1.26 -4.72 117.35 118.62 1prt s TYR 97 Ca 0.00 -0.49 -0.29 0.00 -1.01 0.00 0.00 57.07 55.28 1prt s TYR 97 Cb 0.00 -0.55 -0.10 0.00 -0.11 0.00 0.00 41.96 41.21 1prt s TYR 97 CO 0.00 -0.01 1.27 0.00 -1.11 0.00 0.00 175.55 175.70