#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pcf s GLU 2 N 0.00 3.26 -0.22 1.45 2.02 -1.26 -3.86 118.70 120.10 2pcf s GLU 2 Ca 0.00 0.84 -0.09 0.00 0.02 0.00 0.00 54.97 55.74 2pcf s GLU 2 Cb 0.00 -4.16 -0.04 0.00 0.10 0.00 0.00 34.13 30.02 2pcf s GLU 2 CO 0.00 -1.96 0.11 0.08 0.02 0.00 0.00 175.26 173.51 2pcf s VAL 3 N 6.62 4.99 -0.34 2.63 1.01 -1.04 -4.16 120.40 130.10 2pcf s VAL 3 Ca 0.64 0.05 -0.02 0.00 0.00 0.00 0.00 61.98 62.64 2pcf s VAL 3 Cb -0.15 -3.30 0.07 0.00 0.00 0.00 0.00 36.38 33.01 2pcf s VAL 3 CO 0.28 0.39 0.08 -0.76 0.00 0.00 0.00 175.10 175.09 2pcf s LEU 4 N 0.85 4.41 0.27 3.92 1.43 -0.06 -1.44 118.68 128.07 2pcf s LEU 4 Ca 0.06 -1.55 -0.30 0.00 -1.03 0.00 0.00 54.13 51.31 2pcf s LEU 4 Cb -0.13 -1.76 -0.10 0.00 0.03 0.00 0.00 46.19 44.23 2pcf s LEU 4 CO 0.03 -0.36 1.37 -0.76 0.23 0.00 0.00 176.35 176.85 2pcf s LEU 5 N 1.21 4.41 0.00 1.79 1.02 0.17 -3.68 118.68 123.60 2pcf s LEU 5 Ca 0.00 2.63 0.00 0.00 0.02 0.00 0.00 54.13 56.78 2pcf s LEU 5 Cb -0.21 -3.63 0.00 0.00 0.02 0.00 0.00 46.19 42.37 2pcf s LEU 5 CO -0.02 -0.61 0.00 0.61 0.02 0.00 0.00 176.35 176.35 2pcf n GLY 6 N 1.68 -2.83 0.00 -3.19 0.00 -1.18 -1.33 105.19 98.33 2pcf n GLY 6 Ca 0.04 -1.10 0.00 0.00 0.00 0.00 0.00 46.02 44.96 2pcf n GLY 6 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pcf n GLY 7 N -0.58 0.70 0.00 -0.02 0.00 -0.74 -4.64 105.19 99.92 2pcf n GLY 7 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.00 2pcf n GLY 7 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pcf n GLY 8 N 4.72 -0.87 0.19 -0.02 0.00 -1.26 -4.68 105.19 103.26 2pcf n GLY 8 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2pcf n GLY 8 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2pcf n ASP 9 N -0.06 0.92 0.00 1.61 5.75 -1.26 -5.02 116.55 118.49 2pcf n ASP 9 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 2pcf n ASP 9 Cb 0.05 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.14 2pcf n ASP 9 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2pcf n GLY 10 N 2.00 0.00 3.39 6.12 0.00 -1.26 -4.98 105.19 110.46 2pcf n GLY 10 Ca 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.57 2pcf n GLY 10 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2pcf s SER 11 N 0.00 6.52 -0.88 1.61 0.15 -1.26 -4.85 113.70 114.99 2pcf s SER 11 Ca 0.00 -2.04 -0.25 0.00 0.70 0.00 0.00 55.95 54.37 2pcf s SER 11 Cb 0.00 -2.31 -0.01 0.00 -1.71 0.00 0.00 66.02 62.00 2pcf s SER 11 CO 0.00 -0.93 1.73 -0.76 1.20 0.00 0.00 173.24 174.48 2pcf s LEU 12 N 1.89 3.28 -0.25 3.45 1.43 -1.26 -1.78 118.68 125.44 2pcf s LEU 12 Ca 0.21 -0.75 -0.26 0.00 -1.03 0.00 0.00 54.13 52.30 2pcf s LEU 12 Cb -0.13 -2.56 0.12 0.00 0.03 0.00 0.00 46.19 43.65 2pcf s LEU 12 CO -0.04 -2.24 1.00 0.00 0.23 0.00 0.00 176.35 175.30 2pcf s ALA 13 N 8.02 -1.95 0.08 4.21 0.00 -1.26 -4.32 121.76 126.55 2pcf s ALA 13 Ca 0.59 1.82 -0.31 0.00 0.00 0.00 0.00 51.96 54.07 2pcf s ALA 13 Cb -0.06 -1.26 -0.08 0.00 0.00 0.00 0.00 23.12 21.73 2pcf s ALA 13 CO 0.01 -0.26 1.46 -0.06 0.00 0.00 0.00 175.76 176.91 2pcf s PHE 14 N -0.03 2.97 -0.28 0.00 0.40 -1.26 -3.54 117.98 116.25 2pcf s PHE 14 Ca 0.02 0.76 -0.00 0.00 -0.60 0.00 0.00 56.93 57.11 2pcf s PHE 14 Cb -0.04 -3.76 0.08 0.00 0.51 0.00 0.00 43.02 39.81 2pcf s PHE 14 CO -0.04 -2.80 0.04 -0.51 0.70 0.00 0.00 175.22 172.62 2pcf s LEU 15 N 1.72 2.46 0.83 -0.37 1.02 -1.24 -1.52 118.68 121.57 2pcf s LEU 15 Ca 0.67 -1.45 -0.12 0.00 0.02 0.00 0.00 54.13 53.24 2pcf s LEU 15 Cb -0.37 -0.99 0.09 0.00 0.02 0.00 0.00 46.19 44.94 2pcf s LEU 15 CO 0.30 -0.35 1.18 -2.16 0.02 0.00 0.00 176.35 175.34 2pcf s PRO 16 N 1.51 1.82 -0.01 1.29 0.04 -1.26 -0.88 135.00 137.51 2pcf s PRO 16 Ca 0.04 0.10 0.18 0.00 0.04 0.00 0.00 61.00 61.36 2pcf s PRO 16 Cb -0.18 -1.93 0.52 0.00 0.04 0.00 0.00 34.50 32.94 2pcf s PRO 16 CO -0.15 -1.70 1.43 0.41 0.04 0.00 0.00 177.00 177.03 2pcf n GLY 17 N -3.24 2.65 3.21 0.56 0.00 -0.58 -4.82 105.19 102.97 2pcf n GLY 17 Ca 0.08 -0.64 0.04 0.00 0.00 0.00 0.00 46.02 45.50 2pcf n GLY 17 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2pcf s ASP 18 N -1.01 -1.01 0.27 1.61 2.15 -1.26 -2.70 116.67 114.72 2pcf s ASP 18 Ca 0.39 0.74 0.02 0.00 0.43 0.00 0.00 52.55 54.14 2pcf s ASP 18 Cb 0.21 1.89 -0.05 0.00 -0.30 0.00 0.00 42.92 44.67 2pcf s ASP 18 CO 0.25 -0.19 0.07 0.72 -0.17 0.00 0.00 175.17 175.86 2pcf s PHE 19 N 2.86 1.65 -0.09 -5.34 -0.12 -1.24 -5.02 117.98 110.68 2pcf s PHE 19 Ca 0.10 -1.09 0.04 0.00 -0.05 0.00 0.00 56.93 55.93 2pcf s PHE 19 Cb -0.13 -1.01 0.00 0.00 -0.63 0.00 0.00 43.02 41.26 2pcf s PHE 19 CO -0.17 -0.20 -0.23 -1.12 -0.05 0.00 0.00 175.22 173.45 2pcf s SER 20 N -3.36 2.93 0.06 1.98 0.01 -1.26 -2.18 113.70 111.88 2pcf s SER 20 Ca 0.36 -0.53 0.01 0.00 1.31 0.00 0.00 55.95 57.10 2pcf s SER 20 Cb 0.08 -1.32 -0.00 0.00 0.21 0.00 0.00 66.02 64.98 2pcf s SER 20 CO 0.13 0.15 0.03 1.33 0.41 0.00 0.00 173.24 175.29 2pcf n VAL 21 N 3.54 0.00 -4.33 3.43 0.24 -1.00 -4.93 118.33 115.28 2pcf n VAL 21 Ca -0.19 -0.39 -0.20 0.00 -2.04 0.00 0.00 64.34 61.51 2pcf n VAL 21 Cb 0.53 0.16 -0.08 0.00 -1.47 0.00 0.00 33.84 32.97 2pcf n VAL 21 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2pcf s ALA 22 N -2.19 2.04 -0.38 2.33 0.00 -1.26 -1.67 121.76 120.63 2pcf s ALA 22 Ca 0.04 -1.88 -0.29 0.00 0.00 0.00 0.00 51.96 49.84 2pcf s ALA 22 Cb 0.00 1.33 -0.00 0.00 0.00 0.00 0.00 23.12 24.45 2pcf s ALA 22 CO 0.03 -0.59 1.58 0.45 0.00 0.00 0.00 175.76 177.23 2pcf s SER 23 N -3.41 6.14 0.00 0.00 0.15 -1.26 -2.53 113.70 112.79 2pcf s SER 23 Ca 0.37 1.03 0.00 0.00 0.70 0.00 0.00 55.95 58.06 2pcf s SER 23 Cb 0.03 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.80 2pcf s SER 23 CO 0.24 -1.56 0.00 0.61 1.20 0.00 0.00 173.24 173.73 2pcf n GLY 24 N 5.24 1.53 3.92 9.45 0.00 -1.25 -5.03 105.19 119.05 2pcf n GLY 24 Ca 0.19 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.93 2pcf n GLY 24 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2pcf s GLU 25 N 0.00 1.52 -0.04 1.61 0.41 -1.05 -5.06 118.70 116.09 2pcf s GLU 25 Ca 0.00 -0.24 0.03 0.00 -0.41 0.00 0.00 54.97 54.35 2pcf s GLU 25 Cb 0.00 -1.99 0.00 0.00 -1.78 0.00 0.00 34.13 30.36 2pcf s GLU 25 CO 0.00 -1.80 -0.12 -1.21 -0.49 0.00 0.00 175.26 171.64 2pcf s GLU 26 N -5.59 1.33 0.11 1.61 2.02 -1.26 -4.43 118.70 112.50 2pcf s GLU 26 Ca 0.66 -0.41 -0.04 0.00 0.02 0.00 0.00 54.97 55.20 2pcf s GLU 26 Cb -0.08 -1.18 -0.05 0.00 0.10 0.00 0.00 34.13 32.91 2pcf s GLU 26 CO 0.49 0.14 0.34 0.42 0.02 0.00 0.00 175.26 176.67 2pcf s ILE 27 N 0.23 5.22 0.03 -1.63 1.09 -1.22 -4.92 121.20 120.00 2pcf s ILE 27 Ca -0.05 -0.02 0.03 0.00 -1.10 0.00 0.00 60.65 59.51 2pcf s ILE 27 Cb -0.11 -3.62 -0.02 0.00 -1.06 0.00 0.00 42.46 37.65 2pcf s ILE 27 CO 0.01 0.09 -0.10 -0.69 -0.10 0.00 0.00 174.94 174.16 2pcf s VAL 28 N -1.59 0.77 -0.51 2.92 1.01 -1.25 -2.75 120.40 119.00 2pcf s VAL 28 Ca 0.39 -0.84 0.05 0.00 0.00 0.00 0.00 61.98 61.58 2pcf s VAL 28 Cb -0.12 -0.73 0.19 0.00 0.00 0.00 0.00 36.38 35.71 2pcf s VAL 28 CO 0.24 -0.08 0.44 0.49 0.00 0.00 0.00 175.10 176.19 2pcf n PHE 29 N 2.03 0.66 -2.65 5.22 3.72 -1.04 -2.49 117.46 122.91 2pcf n PHE 29 Ca -0.18 -3.69 -0.43 0.00 -0.05 0.00 0.00 57.45 53.11 2pcf n PHE 29 Cb 0.55 -0.13 -0.02 0.00 -0.94 0.00 0.00 39.48 38.94 2pcf n PHE 29 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 2pcf s LYS 30 N -0.74 4.39 -0.26 -1.08 1.02 -0.52 -3.10 119.74 119.46 2pcf s LYS 30 Ca 0.32 1.43 -0.14 0.00 0.02 0.00 0.00 55.97 57.59 2pcf s LYS 30 Cb 0.04 -3.56 -0.04 0.00 -0.52 0.00 0.00 37.83 33.75 2pcf s LYS 30 CO -0.17 -0.38 0.32 0.54 -0.92 0.00 0.00 175.35 174.75 2pcf s ASN 31 N 1.17 6.21 -0.07 2.83 4.22 -1.21 0.41 114.94 128.51 2pcf s ASN 31 Ca 0.49 0.24 -0.06 0.00 -2.14 0.00 0.00 52.86 51.39 2pcf s ASN 31 Cb -0.19 -2.19 -0.02 0.00 1.28 0.00 0.00 41.25 40.14 2pcf s ASN 31 CO 0.17 -0.13 -0.11 -3.20 -2.04 0.00 0.00 177.10 171.79 2pcf n ASN 32 N 5.13 0.83 -4.17 3.54 5.15 -0.44 -3.24 115.26 122.06 2pcf n ASN 32 Ca -0.10 0.31 -0.18 0.00 -0.60 0.00 0.00 54.58 54.02 2pcf n ASN 32 Cb 0.51 -0.64 -0.12 0.00 -0.53 0.00 0.00 39.78 39.00 2pcf n ASN 32 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2pcf s ALA 33 N -2.91 1.14 0.00 5.20 0.00 -1.26 -4.64 121.76 119.29 2pcf s ALA 33 Ca -0.09 -1.00 0.00 0.00 0.00 0.00 0.00 51.96 50.87 2pcf s ALA 33 Cb 0.01 -0.08 0.00 0.00 0.00 0.00 0.00 23.12 23.05 2pcf s ALA 33 CO 0.13 0.14 0.00 0.41 0.00 0.00 0.00 175.76 176.44 2pcf n GLY 34 N 1.22 0.87 3.65 0.00 0.00 -1.26 -4.23 105.19 105.44 2pcf n GLY 34 Ca -0.21 -0.18 -0.30 0.00 0.00 0.00 0.00 46.02 45.33 2pcf n GLY 34 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2pcf s PHE 35 N -2.00 1.79 0.46 1.61 -0.12 -1.26 -4.53 117.98 113.92 2pcf s PHE 35 Ca 0.00 1.54 -0.20 0.00 -0.05 0.00 0.00 56.93 58.22 2pcf s PHE 35 Cb 0.00 -3.22 -0.10 0.00 -0.63 0.00 0.00 43.02 39.07 2pcf s PHE 35 CO 0.00 -2.86 0.97 -1.25 -0.05 0.00 0.00 175.22 172.03 2pcf s PRO 36 N -4.68 4.09 -0.32 1.99 0.04 -1.26 -5.02 135.00 129.85 2pcf s PRO 36 Ca 0.66 1.13 0.10 0.00 0.04 0.00 0.00 61.00 62.92 2pcf s PRO 36 Cb -0.22 -2.16 0.46 0.00 0.04 0.00 0.00 34.50 32.63 2pcf s PRO 36 CO 0.59 -0.15 1.15 0.72 0.04 0.00 0.00 177.00 179.35 2pcf n HIS 37 N -0.89 2.57 -2.01 0.56 8.25 -0.82 -4.72 115.22 118.16 2pcf n HIS 37 Ca 0.07 -2.41 -0.42 0.00 -0.26 0.00 0.00 57.72 54.71 2pcf n HIS 37 Cb 0.54 -0.28 -0.03 0.00 1.12 0.00 0.00 29.99 31.34 2pcf n HIS 37 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2pcf s ASN 38 N -3.60 6.67 0.13 0.41 4.22 -1.26 -4.86 114.94 116.65 2pcf s ASN 38 Ca 0.46 2.42 -0.03 0.00 -2.14 0.00 0.00 52.86 53.56 2pcf s ASN 38 Cb 0.40 -2.57 -0.05 0.00 1.28 0.00 0.00 41.25 40.31 2pcf s ASN 38 CO -0.02 -0.82 0.35 0.68 -2.04 0.00 0.00 177.10 175.25 2pcf s VAL 39 N 2.19 5.21 -0.04 3.54 -7.23 -1.26 -1.70 120.40 121.11 2pcf s VAL 39 Ca 0.70 -0.10 -0.02 0.00 -1.81 0.00 0.00 61.98 60.76 2pcf s VAL 39 Cb -0.39 -3.64 0.03 0.00 0.56 0.00 0.00 36.38 32.95 2pcf s VAL 39 CO 0.31 0.03 0.04 0.68 -0.31 0.00 0.00 175.10 175.85 2pcf s VAL 40 N -1.66 0.01 0.05 1.32 -7.23 -0.99 -3.24 120.40 108.66 2pcf s VAL 40 Ca 0.40 0.33 -0.31 0.00 -1.81 0.00 0.00 61.98 60.59 2pcf s VAL 40 Cb -0.12 -0.23 -0.06 0.00 0.56 0.00 0.00 36.38 36.53 2pcf s VAL 40 CO 0.26 0.19 1.35 -0.36 -0.31 0.00 0.00 175.10 176.22 2pcf s PHE 41 N 1.96 3.12 0.59 2.82 0.40 -1.26 -3.48 117.98 122.14 2pcf s PHE 41 Ca 0.03 0.98 -0.07 0.00 -0.60 0.00 0.00 56.93 57.27 2pcf s PHE 41 Cb -0.12 -3.61 0.00 0.00 0.51 0.00 0.00 43.02 39.80 2pcf s PHE 41 CO -0.03 -2.14 0.92 0.34 0.70 0.00 0.00 175.22 175.01 2pcf s ASP 42 N 1.43 5.68 -0.34 1.36 -1.08 -1.20 -4.76 116.67 117.76 2pcf s ASP 42 Ca 0.63 0.83 0.09 0.00 -0.52 0.00 0.00 52.55 53.57 2pcf s ASP 42 Cb -0.33 -1.83 0.71 0.00 -1.46 0.00 0.00 42.92 40.02 2pcf s ASP 42 CO 0.28 -1.04 1.80 1.21 0.52 0.00 0.00 175.17 177.94 2pcf n GLU 43 N -2.61 3.30 -0.01 4.34 4.07 -1.26 -4.22 120.64 124.25 2pcf n GLU 43 Ca 0.04 -3.08 0.08 0.00 -0.06 0.00 0.00 57.16 54.15 2pcf n GLU 43 Cb 0.57 -2.18 -0.12 0.00 -0.06 0.00 0.00 31.44 29.66 2pcf n GLU 43 CO 0.00 0.00 0.00 -0.25 -0.06 0.00 0.00 177.13 176.82 2pcf n ASP 44 N -0.43 1.28 -3.05 4.31 8.00 -1.26 -4.64 116.55 120.76 2pcf n ASP 44 Ca 0.44 -0.11 -0.22 0.00 0.71 0.00 0.00 54.79 55.60 2pcf n ASP 44 Cb 1.41 1.63 -0.03 0.00 -0.02 0.00 0.00 41.12 44.11 2pcf n ASP 44 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2pcf n GLU 45 N -1.96 2.10 -5.27 -1.24 1.02 -1.26 -5.07 120.64 108.96 2pcf n GLU 45 Ca -0.02 -4.11 -0.31 0.00 -0.02 0.00 0.00 57.16 52.70 2pcf n GLU 45 Cb 0.39 -1.96 -0.16 0.00 -0.02 0.00 0.00 31.44 29.69 2pcf n GLU 45 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2pcf s ILE 46 N -3.47 2.09 -0.05 -3.67 1.01 -1.26 -3.75 121.20 112.09 2pcf s ILE 46 Ca 0.44 -1.12 -0.06 0.00 0.00 0.00 0.00 60.65 59.91 2pcf s ILE 46 Cb 0.32 -1.72 -0.03 0.00 0.01 0.00 0.00 42.46 41.03 2pcf s ILE 46 CO -0.11 0.57 0.29 1.55 0.00 0.00 0.00 174.94 177.23 2pcf h PRO 47 N 5.44 -0.21 0.00 2.79 0.13 -1.93 -3.47 132.00 134.74 2pcf h PRO 47 Ca -0.43 0.01 -0.14 0.00 -0.87 0.00 0.00 66.00 64.57 2pcf h PRO 47 Cb 1.12 0.05 0.03 0.00 0.13 0.00 0.00 31.00 32.33 2pcf h PRO 47 CO 0.47 -0.14 0.06 0.45 -0.23 0.00 0.00 178.00 178.61 2pcf n SER 48 N -4.36 0.30 0.00 1.44 2.88 -1.26 -5.10 113.62 107.52 2pcf n SER 48 Ca -0.03 -1.29 0.00 0.00 -1.33 0.00 0.00 58.87 56.23 2pcf n SER 48 Cb 0.09 -0.22 0.00 0.00 -0.75 0.00 0.00 64.21 63.32 2pcf n SER 48 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2pcf n GLY 49 N 2.62 1.00 1.34 0.46 0.00 -1.26 -5.03 105.19 104.31 2pcf n GLY 49 Ca 0.05 -0.01 0.08 0.00 0.00 0.00 0.00 46.02 46.13 2pcf n GLY 49 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2pcf n VAL 50 N 0.00 -1.73 -2.89 1.61 3.14 -1.26 -4.94 118.33 112.25 2pcf n VAL 50 Ca 0.00 1.08 -0.20 0.00 -2.96 0.00 0.00 64.34 62.25 2pcf n VAL 50 Cb 0.00 -1.72 0.02 0.00 -1.06 0.00 0.00 33.84 31.08 2pcf n VAL 50 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 2pcf s ASP 51 N -6.00 5.57 0.30 6.55 2.15 -1.26 -5.01 116.67 118.96 2pcf s ASP 51 Ca 0.00 -0.04 0.22 0.00 0.43 0.00 0.00 52.55 53.16 2pcf s ASP 51 Cb 0.00 -1.04 0.13 0.00 -0.30 0.00 0.00 42.92 41.72 2pcf s ASP 51 CO 0.00 -0.88 1.29 0.00 -0.17 0.00 0.00 175.17 175.42 2pcf h ALA 52 N 0.36 0.73 0.00 3.66 0.00 -1.92 -3.25 119.26 118.84 2pcf h ALA 52 Ca -0.43 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.37 2pcf h ALA 52 Cb 1.28 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.08 2pcf h ALA 52 CO 0.52 0.13 0.00 0.00 0.00 0.00 0.00 179.25 179.90 2pcf n ALA 53 N -2.17 1.65 0.02 0.00 0.00 -1.26 -0.38 120.51 118.37 2pcf n ALA 53 Ca 0.01 0.02 -0.03 0.00 0.00 0.00 0.00 53.44 53.44 2pcf n ALA 53 Cb 0.58 -1.31 -0.10 0.00 0.00 0.00 0.00 19.45 18.63 2pcf n ALA 53 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2pcf h LYS 54 N 0.00 0.00 -0.07 0.00 1.63 -1.98 -3.36 116.57 112.79 2pcf h LYS 54 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 2pcf h LYS 54 Cb 0.30 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.93 2pcf h LYS 54 CO 0.00 0.42 0.00 0.44 -3.45 0.00 0.00 179.45 176.86 2pcf n ILE 55 N -2.99 1.22 -4.46 2.00 -5.35 -0.99 -5.03 119.36 103.74 2pcf n ILE 55 Ca -0.11 -1.26 -0.29 0.00 -0.27 0.00 0.00 62.75 60.82 2pcf n ILE 55 Cb 0.91 0.34 -0.07 0.00 -1.74 0.00 0.00 39.64 39.08 2pcf n ILE 55 CO 0.00 0.00 0.00 -0.44 -1.76 0.00 0.00 176.55 174.35 2pcf s SER 56 N -1.37 4.23 0.33 7.28 0.01 0.49 -4.04 113.70 120.63 2pcf s SER 56 Ca 0.12 -1.42 0.06 0.00 1.31 0.00 0.00 55.95 56.01 2pcf s SER 56 Cb 0.09 0.15 -0.01 0.00 0.21 0.00 0.00 66.02 66.45 2pcf s SER 56 CO 0.04 -0.77 0.46 -0.04 0.41 0.00 0.00 173.24 173.35 2pcf s MET 57 N -3.92 3.15 0.05 12.44 -1.94 -1.20 -4.88 119.30 123.00 2pcf s MET 57 Ca 0.23 -0.97 0.01 0.00 -1.71 0.00 0.00 55.69 53.25 2pcf s MET 57 Cb 0.03 -2.82 0.01 0.00 2.01 0.00 0.00 34.83 34.06 2pcf s MET 57 CO 0.13 0.09 0.07 0.45 -0.01 0.00 0.00 175.02 175.75 2pcf n SER 58 N -1.63 0.18 0.05 3.03 2.88 -1.26 -4.96 113.62 111.91 2pcf n SER 58 Ca -0.01 -1.13 -0.00 0.00 -1.33 0.00 0.00 58.87 56.40 2pcf n SER 58 Cb 0.58 -0.04 -0.07 0.00 -0.75 0.00 0.00 64.21 63.94 2pcf n SER 58 CO 0.00 0.00 0.00 1.05 -1.23 0.00 0.00 175.04 174.86 2pcf h GLU 59 N 0.00 0.00 0.05 -1.46 9.09 -2.03 -3.34 114.58 116.88 2pcf h GLU 59 Ca -0.02 0.00 -0.25 0.00 0.05 0.00 0.00 59.36 59.13 2pcf h GLU 59 Cb 0.11 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.19 2pcf h GLU 59 CO 0.03 0.37 -1.26 0.93 0.05 0.00 0.00 179.01 179.13 2pcf h GLU 60 N 0.00 0.10 -4.39 1.06 3.07 -2.06 -3.40 114.58 108.97 2pcf h GLU 60 Ca -0.13 -0.17 -0.74 0.00 -0.50 0.00 0.00 59.36 57.81 2pcf h GLU 60 Cb 1.57 0.06 -0.22 0.00 -0.84 0.00 0.00 28.75 29.32 2pcf h GLU 60 CO 0.05 0.99 0.47 -0.51 -1.40 0.00 0.00 179.01 178.61 2pcf s ASP 61 N -6.75 6.73 0.03 1.42 1.11 -1.25 -5.01 116.67 112.94 2pcf s ASP 61 Ca -0.03 -2.43 0.07 0.00 0.18 0.00 0.00 52.55 50.34 2pcf s ASP 61 Cb 0.08 -2.30 -0.03 0.00 1.07 0.00 0.00 42.92 41.74 2pcf s ASP 61 CO 0.84 -0.79 -0.18 -0.76 1.18 0.00 0.00 175.17 175.46 2pcf s LEU 62 N 1.30 2.63 -1.24 1.23 1.43 -1.26 -4.20 118.68 118.56 2pcf s LEU 62 Ca 0.26 -0.40 -0.15 0.00 -1.03 0.00 0.00 54.13 52.81 2pcf s LEU 62 Cb -0.07 -1.53 0.14 0.00 0.03 0.00 0.00 46.19 44.76 2pcf s LEU 62 CO -0.09 0.26 1.55 0.18 0.23 0.00 0.00 176.35 178.48 2pcf n LEU 63 N 1.61 5.23 -0.51 1.79 4.32 -1.26 -4.66 117.00 123.52 2pcf n LEU 63 Ca -0.16 -4.32 0.11 0.00 -0.02 0.00 0.00 56.01 51.62 2pcf n LEU 63 Cb 0.52 -1.65 -0.00 0.00 -1.62 0.00 0.00 43.42 40.67 2pcf n LEU 63 CO 0.27 0.61 0.31 -3.20 -1.22 0.00 0.00 177.39 174.16 2pcf n ASN 64 N 6.30 2.05 -4.80 -1.43 5.15 -1.26 -1.95 115.26 119.32 2pcf n ASN 64 Ca 0.40 -1.53 -0.34 0.00 -0.60 0.00 0.00 54.58 52.52 2pcf n ASN 64 Cb 0.43 0.46 -0.07 0.00 -0.53 0.00 0.00 39.78 40.08 2pcf n ASN 64 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2pcf s ALA 65 N -2.44 3.63 -1.27 5.20 0.00 -1.26 -4.77 121.76 120.86 2pcf s ALA 65 Ca 0.18 -0.80 -0.19 0.00 0.00 0.00 0.00 51.96 51.15 2pcf s ALA 65 Cb 0.18 -1.67 0.03 0.00 0.00 0.00 0.00 23.12 21.65 2pcf s ALA 65 CO 0.56 0.67 1.79 -0.35 0.00 0.00 0.00 175.76 178.43 2pcf n PRO 66 N 1.47 2.77 0.00 0.00 -0.04 -1.26 -3.04 135.00 134.89 2pcf n PRO 66 Ca -0.15 -3.06 0.00 0.00 -0.04 0.00 0.00 63.50 60.25 2pcf n PRO 66 Cb 0.53 -3.56 0.00 0.00 -0.04 0.00 0.00 33.50 30.43 2pcf n PRO 66 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2pcf n GLY 67 N 5.50 0.25 3.76 0.55 0.00 -1.20 -4.98 105.19 109.08 2pcf n GLY 67 Ca 0.48 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 46.14 2pcf n GLY 67 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2pcf s GLU 68 N 0.00 3.23 0.02 1.61 2.56 -1.17 -4.86 118.70 120.10 2pcf s GLU 68 Ca 0.00 1.74 0.02 0.00 0.00 0.00 0.00 54.97 56.73 2pcf s GLU 68 Cb 0.00 -2.03 -0.02 0.00 2.00 0.00 0.00 34.13 34.09 2pcf s GLU 68 CO 0.00 -0.98 -0.07 0.95 -0.56 0.00 0.00 175.26 174.61 2pcf s THR 69 N -1.65 0.49 -0.36 -1.70 -4.23 -1.26 -3.28 115.64 103.65 2pcf s THR 69 Ca 0.74 -0.71 -0.07 0.00 -1.18 0.00 0.00 61.69 60.46 2pcf s THR 69 Cb -0.28 -0.50 0.05 0.00 1.34 0.00 0.00 72.50 73.11 2pcf s THR 69 CO 0.31 -0.16 0.15 -0.47 -0.54 0.00 0.00 174.62 173.91 2pcf s TYR 70 N -0.84 3.28 -0.16 3.99 5.04 -1.18 -4.85 117.35 122.64 2pcf s TYR 70 Ca -0.05 -1.43 -0.09 0.00 -2.44 0.00 0.00 57.07 53.06 2pcf s TYR 70 Cb -0.07 -2.47 -0.05 0.00 0.35 0.00 0.00 41.96 39.73 2pcf s TYR 70 CO 0.00 -0.75 0.14 0.15 -1.34 0.00 0.00 175.55 173.75 2pcf s LYS 71 N 1.41 3.88 -0.21 4.97 3.01 -1.26 -2.50 119.74 129.05 2pcf s LYS 71 Ca 0.00 -0.16 0.01 0.00 -1.01 0.00 0.00 55.97 54.81 2pcf s LYS 71 Cb -0.20 -3.32 0.04 0.00 -1.01 0.00 0.00 37.83 33.34 2pcf s LYS 71 CO 0.03 0.50 -0.11 0.08 0.51 0.00 0.00 175.35 176.35 2pcf s VAL 72 N -0.22 1.80 -0.64 3.17 1.01 -1.11 -4.94 120.40 119.46 2pcf s VAL 72 Ca 0.11 -1.16 -0.25 0.00 0.00 0.00 0.00 61.98 60.69 2pcf s VAL 72 Cb -0.12 -1.87 0.05 0.00 0.00 0.00 0.00 36.38 34.45 2pcf s VAL 72 CO 0.01 0.15 1.06 -0.89 0.00 0.00 0.00 175.10 175.43 2pcf s THR 73 N 1.32 4.15 -0.07 3.92 2.01 -1.26 -3.37 115.64 122.33 2pcf s THR 73 Ca -0.03 0.16 -0.06 0.00 0.31 0.00 0.00 61.69 62.07 2pcf s THR 73 Cb -0.17 -4.71 -0.04 0.00 0.01 0.00 0.00 72.50 67.59 2pcf s THR 73 CO -0.08 -1.45 0.17 -0.76 -0.69 0.00 0.00 174.62 171.81 2pcf s LEU 74 N 4.56 4.39 0.00 4.42 1.02 -1.26 -4.98 118.68 126.83 2pcf s LEU 74 Ca 0.30 0.45 0.00 0.00 0.02 0.00 0.00 54.13 54.90 2pcf s LEU 74 Cb -0.12 -2.29 0.00 0.00 0.02 0.00 0.00 46.19 43.80 2pcf s LEU 74 CO 0.16 0.35 0.00 0.35 0.02 0.00 0.00 176.35 177.23 2pcf n THR 75 N 1.60 0.00 -2.05 5.49 -2.24 -1.26 -3.81 114.28 112.01 2pcf n THR 75 Ca -0.16 0.00 -0.35 0.00 -2.27 0.00 0.00 64.05 61.27 2pcf n THR 75 Cb 0.54 -0.28 0.02 0.00 -2.10 0.00 0.00 70.33 68.51 2pcf n THR 75 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2pcf s GLU 76 N -1.72 3.10 -0.27 -0.78 8.01 -1.26 -4.56 118.70 121.22 2pcf s GLU 76 Ca 0.00 1.57 -0.12 0.00 0.01 0.00 0.00 54.97 56.43 2pcf s GLU 76 Cb 0.00 -1.97 -0.05 0.00 -4.31 0.00 0.00 34.13 27.80 2pcf s GLU 76 CO 0.00 -1.04 0.24 0.15 0.01 0.00 0.00 175.26 174.62 2pcf s LYS 77 N -3.55 3.99 0.00 1.61 1.02 -1.26 -4.72 119.74 116.82 2pcf s LYS 77 Ca 0.72 -0.20 0.00 0.00 0.02 0.00 0.00 55.97 56.50 2pcf s LYS 77 Cb -0.24 -3.64 0.00 0.00 -0.52 0.00 0.00 37.83 33.43 2pcf s LYS 77 CO 0.33 -0.17 0.00 0.41 -0.92 0.00 0.00 175.35 175.00 2pcf n GLY 78 N 4.82 -1.48 3.23 -3.33 0.00 0.71 -4.85 105.19 104.30 2pcf n GLY 78 Ca -0.12 -1.08 -0.35 0.00 0.00 0.00 0.00 46.02 44.47 2pcf n GLY 78 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2pcf s THR 79 N -2.82 3.14 0.72 2.61 2.01 -1.26 -1.89 115.64 118.15 2pcf s THR 79 Ca 0.00 -1.02 0.01 0.00 0.31 0.00 0.00 61.69 60.99 2pcf s THR 79 Cb 0.00 -2.64 0.13 0.00 0.01 0.00 0.00 72.50 70.00 2pcf s THR 79 CO 0.00 0.11 0.99 -0.31 -0.69 0.00 0.00 174.62 174.72 2pcf s TYR 80 N 1.35 1.36 -0.28 4.92 1.51 -0.02 -4.43 117.35 121.76 2pcf s TYR 80 Ca -0.00 -0.40 0.00 0.00 -1.01 0.00 0.00 57.07 55.66 2pcf s TYR 80 Cb -0.17 -2.88 0.15 0.00 -0.11 0.00 0.00 41.96 38.94 2pcf s TYR 80 CO -0.02 -1.73 0.35 0.21 -1.11 0.00 0.00 175.55 173.25 2pcf s LYS 81 N -5.11 0.36 0.30 -0.62 2.36 -1.25 -2.97 119.74 112.82 2pcf s LYS 81 Ca 0.67 0.06 0.07 0.00 -2.55 0.00 0.00 55.97 54.22 2pcf s LYS 81 Cb -0.05 -0.50 -0.02 0.00 -1.05 0.00 0.00 37.83 36.21 2pcf s LYS 81 CO 0.44 -0.98 0.35 -0.59 1.55 0.00 0.00 175.35 176.12 2pcf s PHE 82 N 2.46 3.11 0.04 4.03 -0.12 -0.92 -3.24 117.98 123.35 2pcf s PHE 82 Ca 0.10 -0.19 -0.21 0.00 -0.05 0.00 0.00 56.93 56.58 2pcf s PHE 82 Cb -0.13 -1.75 0.05 0.00 -0.63 0.00 0.00 43.02 40.55 2pcf s PHE 82 CO -0.29 0.23 0.48 1.52 -0.05 0.00 0.00 175.22 177.11 2pcf s TYR 83 N -2.17 -0.37 -0.30 3.49 1.13 -1.23 -2.03 117.35 115.87 2pcf s TYR 83 Ca 0.40 0.41 -0.28 0.00 -1.41 0.00 0.00 57.07 56.18 2pcf s TYR 83 Cb -0.08 0.29 -0.02 0.00 -1.10 0.00 0.00 41.96 41.05 2pcf s TYR 83 CO 0.28 -0.61 1.88 0.00 -2.51 0.00 0.00 175.55 174.59 2pcf h SER 85 N 13.23 -1.01 0.00 0.00 0.87 -1.66 -1.14 113.55 123.84 2pcf h SER 85 Ca -0.35 0.13 -0.02 0.00 -1.23 0.00 0.00 61.79 60.32 2pcf h SER 85 Cb 1.18 0.41 -0.01 0.00 -0.44 0.00 0.00 62.40 63.54 2pcf h SER 85 CO 1.01 -0.39 -0.03 -0.81 -0.53 0.00 0.00 176.83 176.08 2pcf n PRO 86 N -5.42 0.94 0.00 2.24 -0.04 -1.26 -3.12 135.00 128.33 2pcf n PRO 86 Ca -0.05 -0.12 0.00 0.00 -0.04 0.00 0.00 63.50 63.30 2pcf n PRO 86 Cb 0.33 -1.21 0.00 0.00 -0.04 0.00 0.00 33.50 32.59 2pcf n PRO 86 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 2pcf n HIS 87 N 1.73 0.00 0.20 0.54 8.25 -0.68 -4.97 115.22 120.30 2pcf n HIS 87 Ca 0.05 0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.58 2pcf n HIS 87 Cb 0.46 0.00 0.39 0.00 1.12 0.00 0.00 29.99 31.96 2pcf n HIS 87 CO 0.00 0.00 0.00 -0.56 0.64 0.00 0.00 176.34 176.42 2pcf h GLN 88 N 0.00 0.00 0.00 -0.41 -0.00 -1.19 -2.66 115.11 110.86 2pcf h GLN 88 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 2pcf h GLN 88 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.48 2pcf h GLN 88 CO 0.00 0.32 -0.80 0.41 -0.00 0.00 0.00 178.83 178.76 2pcf n GLY 89 N 0.11 -1.17 0.00 0.06 0.00 -1.26 -4.52 105.19 98.41 2pcf n GLY 89 Ca -0.00 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.59 2pcf n GLY 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pcf n ALA 90 N -1.61 -0.09 0.00 4.61 0.00 -1.00 -5.00 120.51 117.42 2pcf n ALA 90 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 2pcf n ALA 90 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.82 2pcf n ALA 90 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pcf n GLY 91 N 1.06 0.00 2.74 0.00 0.00 -1.23 -5.13 105.19 102.63 2pcf n GLY 91 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 2pcf n GLY 91 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2pcf s MET 92 N 0.00 0.73 0.18 1.61 0.23 -1.26 -4.79 119.30 116.00 2pcf s MET 92 Ca 0.00 -0.93 -0.04 0.00 -1.03 0.00 0.00 55.69 53.70 2pcf s MET 92 Cb 0.00 -2.00 -0.03 0.00 -1.53 0.00 0.00 34.83 31.27 2pcf s MET 92 CO 0.00 -0.90 0.17 0.14 -2.03 0.00 0.00 175.02 172.40 2pcf s VAL 93 N 1.67 0.05 0.29 5.16 -7.23 -1.26 -2.90 120.40 116.18 2pcf s VAL 93 Ca 0.07 -1.79 -0.01 0.00 -1.81 0.00 0.00 61.98 58.44 2pcf s VAL 93 Cb -0.17 -2.20 0.00 0.00 0.56 0.00 0.00 36.38 34.58 2pcf s VAL 93 CO -0.22 -0.21 0.39 0.61 -0.31 0.00 0.00 175.10 175.36 2pcf n GLY 94 N -0.21 2.36 3.33 2.32 0.00 -0.86 -4.46 105.19 107.67 2pcf n GLY 94 Ca -0.03 -1.60 -0.14 0.00 0.00 0.00 0.00 46.02 44.26 2pcf n GLY 94 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2pcf s LYS 95 N -2.70 0.57 -0.39 1.61 -2.85 -1.10 -2.16 119.74 112.73 2pcf s LYS 95 Ca 0.25 0.48 -0.16 0.00 -1.00 0.00 0.00 55.97 55.54 2pcf s LYS 95 Cb -0.01 0.27 0.01 0.00 -2.06 0.00 0.00 37.83 36.05 2pcf s LYS 95 CO 0.18 -0.09 0.38 0.08 0.10 0.00 0.00 175.35 176.00 2pcf s VAL 96 N -0.07 5.15 -1.16 1.79 1.01 -1.16 -3.61 120.40 122.35 2pcf s VAL 96 Ca -0.03 -0.26 -0.06 0.00 0.00 0.00 0.00 61.98 61.64 2pcf s VAL 96 Cb -0.03 -3.94 0.25 0.00 0.00 0.00 0.00 36.38 32.66 2pcf s VAL 96 CO 0.02 -0.28 1.69 0.41 0.00 0.00 0.00 175.10 176.94 2pcf n THR 97 N 5.32 5.06 -2.81 3.92 -1.04 -0.93 -0.84 114.28 122.96 2pcf n THR 97 Ca -0.09 -5.35 -0.40 0.00 -2.04 0.00 0.00 64.05 56.18 2pcf n THR 97 Cb 0.48 -2.13 -0.06 0.00 -1.82 0.00 0.00 70.33 66.80 2pcf n THR 97 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 2pcf s VAL 98 N -1.76 4.18 0.00 12.58 0.11 -0.79 -2.38 120.40 132.33 2pcf s VAL 98 Ca 0.35 1.99 0.00 0.00 -2.93 0.00 0.00 61.98 61.40 2pcf s VAL 98 Cb 0.08 -4.28 0.00 0.00 -1.53 0.00 0.00 36.38 30.65 2pcf s VAL 98 CO 0.05 0.49 0.00 -0.46 -3.33 0.00 0.00 175.10 171.85