#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 3.31 -0.25 1.45 2.02 -1.26 -3.91 118.70 120.05 2pcf s GLU 2 Ca 0.00 1.12 -0.09 0.00 0.02 0.00 0.00 54.97 56.02 2pcf s GLU 2 Cb 0.00 -4.17 -0.04 0.00 0.10 0.00 0.00 34.13 30.02 2pcf s GLU 2 CO 0.00 -1.89 0.11 0.08 0.02 0.00 0.00 175.26 173.58 2pcf s VAL 3 N 6.71 4.74 -0.44 2.63 1.01 -1.04 -4.11 120.40 129.91 2pcf s VAL 3 Ca 0.71 -0.03 -0.08 0.00 0.00 0.00 0.00 61.98 62.59 2pcf s VAL 3 Cb -0.18 -3.23 0.10 0.00 0.00 0.00 0.00 36.38 33.08 2pcf s VAL 3 CO 0.31 0.32 0.28 -0.76 0.00 0.00 0.00 175.10 175.25 2pcf s LEU 4 N 1.53 5.38 0.29 3.92 1.43 0.09 -1.39 118.68 129.94 2pcf s LEU 4 Ca 0.06 -1.79 -0.29 0.00 -1.03 0.00 0.00 54.13 51.08 2pcf s LEU 4 Cb -0.15 -1.96 -0.10 0.00 0.03 0.00 0.00 46.19 44.01 2pcf s LEU 4 CO 0.06 -0.60 1.42 -0.76 0.23 0.00 0.00 176.35 176.70 2pcf s LEU 5 N 1.34 4.38 0.00 1.79 1.02 0.13 -3.82 118.68 123.51 2pcf s LEU 5 Ca 0.05 2.75 0.00 0.00 0.02 0.00 0.00 54.13 56.95 2pcf s LEU 5 Cb -0.24 -3.64 0.00 0.00 0.02 0.00 0.00 46.19 42.33 2pcf s LEU 5 CO -0.01 -0.70 0.00 0.61 0.02 0.00 0.00 176.35 176.28 2pcf n GLY 6 N 1.56 -2.38 0.00 -3.19 0.00 -1.19 -1.55 105.19 98.45 2pcf n GLY 6 Ca 0.04 -1.14 0.00 0.00 0.00 0.00 0.00 46.02 44.92 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 -0.28 0.77 0.00 -0.02 0.00 -0.57 -4.59 105.19 100.50 2pcf n GLY 7 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 4.77 0.05 0.26 -0.02 0.00 -1.26 -4.61 105.19 104.38 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 -0.14 0.00 0.00 1.61 5.75 -1.26 -5.03 116.55 117.48 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 0.18 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.28 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 1.31 0.00 3.34 6.12 0.00 -1.26 -4.92 105.19 109.77 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 6.22 -0.92 1.61 0.15 -1.26 -4.86 113.70 114.64 2pcf s SER 11 Ca 0.00 -1.67 -0.24 0.00 0.70 0.00 0.00 55.95 54.73 2pcf s SER 11 Cb 0.00 -2.26 0.04 0.00 -1.71 0.00 0.00 66.02 62.10 2pcf s SER 11 CO 0.00 -0.97 1.41 -0.76 1.20 0.00 0.00 173.24 174.12 2pcf s LEU 12 N 2.06 3.38 -0.28 3.45 1.43 -1.26 -1.51 118.68 125.94 2pcf s LEU 12 Ca 0.08 -1.09 -0.24 0.00 -1.03 0.00 0.00 54.13 51.85 2pcf s LEU 12 Cb -0.26 -2.57 0.11 0.00 0.03 0.00 0.00 46.19 43.51 2pcf s LEU 12 CO 0.04 -1.65 0.97 0.00 0.23 0.00 0.00 176.35 175.93 2pcf s ALA 13 N 5.38 -1.96 0.09 4.21 0.00 -1.26 -4.28 121.76 123.95 2pcf s ALA 13 Ca 0.43 1.94 -0.31 0.00 0.00 0.00 0.00 51.96 54.02 2pcf s ALA 13 Cb -0.03 -1.41 -0.08 0.00 0.00 0.00 0.00 23.12 21.59 2pcf s ALA 13 CO -0.01 -0.26 1.57 -0.06 0.00 0.00 0.00 175.76 176.99 2pcf s PHE 14 N 0.36 2.75 -0.29 0.00 0.40 -1.26 -3.68 117.98 116.25 2pcf s PHE 14 Ca 0.02 0.54 0.01 0.00 -0.60 0.00 0.00 56.93 56.90 2pcf s PHE 14 Cb -0.05 -3.88 0.09 0.00 0.51 0.00 0.00 43.02 39.69 2pcf s PHE 14 CO -0.06 -3.39 0.05 -0.51 0.70 0.00 0.00 175.22 172.01 2pcf s LEU 15 N 2.01 2.86 0.82 -0.37 1.02 -1.25 -1.17 118.68 122.59 2pcf s LEU 15 Ca 0.70 -1.61 -0.12 0.00 0.02 0.00 0.00 54.13 53.12 2pcf s LEU 15 Cb -0.39 -1.10 0.09 0.00 0.02 0.00 0.00 46.19 44.80 2pcf s LEU 15 CO 0.31 -0.36 1.18 -2.16 0.02 0.00 0.00 176.35 175.34 2pcf s PRO 16 N 1.41 1.88 -0.07 1.29 0.04 -1.26 -0.73 135.00 137.56 2pcf s PRO 16 Ca 0.06 0.11 0.16 0.00 0.04 0.00 0.00 61.00 61.37 2pcf s PRO 16 Cb -0.18 -1.94 0.55 0.00 0.04 0.00 0.00 34.50 32.96 2pcf s PRO 16 CO -0.16 -1.65 1.46 0.41 0.04 0.00 0.00 177.00 177.10 2pcf n GLY 17 N -3.27 2.93 3.15 0.56 0.00 -0.32 -4.84 105.19 103.40 2pcf n GLY 17 Ca 0.08 -0.72 0.05 0.00 0.00 0.00 0.00 46.02 45.43 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 -1.12 -0.90 0.30 1.61 2.15 -1.26 -3.04 116.67 114.41 2pcf s ASP 18 Ca 0.40 0.45 0.03 0.00 0.43 0.00 0.00 52.55 53.86 2pcf s ASP 18 Cb 0.25 1.71 -0.06 0.00 -0.30 0.00 0.00 42.92 44.52 2pcf s ASP 18 CO 0.21 -0.17 0.05 0.72 -0.17 0.00 0.00 175.17 175.81 2pcf s PHE 19 N 2.91 1.85 -0.10 -5.34 -0.12 -1.24 -5.01 117.98 110.93 2pcf s PHE 19 Ca 0.11 -0.97 0.03 0.00 -0.05 0.00 0.00 56.93 56.05 2pcf s PHE 19 Cb -0.11 -1.17 0.00 0.00 -0.63 0.00 0.00 43.02 41.12 2pcf s PHE 19 CO -0.18 -0.04 -0.21 -1.12 -0.05 0.00 0.00 175.22 173.62 2pcf s SER 20 N -3.43 2.83 0.00 1.98 0.01 -1.26 -2.23 113.70 111.60 2pcf s SER 20 Ca 0.35 -0.51 0.00 0.00 1.31 0.00 0.00 55.95 57.10 2pcf s SER 20 Cb 0.08 -1.30 -0.00 0.00 0.21 0.00 0.00 66.02 65.01 2pcf s SER 20 CO 0.14 0.12 0.00 1.33 0.41 0.00 0.00 173.24 175.25 2pcf n VAL 21 N 3.67 0.00 -4.29 3.43 0.24 -1.04 -4.94 118.33 115.40 2pcf n VAL 21 Ca -0.20 -0.03 -0.20 0.00 -2.04 0.00 0.00 64.34 61.88 2pcf n VAL 21 Cb 0.53 0.01 -0.08 0.00 -1.47 0.00 0.00 33.84 32.82 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 -2.01 1.90 -0.42 2.33 0.00 -1.26 -1.73 121.76 120.57 2pcf s ALA 22 Ca 0.00 -2.04 -0.28 0.00 0.00 0.00 0.00 51.96 49.64 2pcf s ALA 22 Cb 0.00 1.45 -0.00 0.00 0.00 0.00 0.00 23.12 24.57 2pcf s ALA 22 CO 0.00 -0.65 1.60 0.45 0.00 0.00 0.00 175.76 177.17 2pcf s SER 23 N -3.38 6.04 0.00 0.00 0.15 -1.26 -2.53 113.70 112.71 2pcf s SER 23 Ca 0.40 0.90 0.00 0.00 0.70 0.00 0.00 55.95 57.95 2pcf s SER 23 Cb 0.02 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.80 2pcf s SER 23 CO 0.27 -1.66 0.00 0.61 1.20 0.00 0.00 173.24 173.66 2pcf n GLY 24 N 5.29 1.46 3.92 9.45 0.00 -1.25 -5.03 105.19 119.03 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 1.71 -0.04 1.61 0.41 -1.05 -5.07 118.70 116.27 2pcf s GLU 25 Ca 0.00 -0.16 0.03 0.00 -0.41 0.00 0.00 54.97 54.43 2pcf s GLU 25 Cb 0.00 -2.00 0.00 0.00 -1.78 0.00 0.00 34.13 30.35 2pcf s GLU 25 CO 0.00 -1.68 -0.14 -1.21 -0.49 0.00 0.00 175.26 171.74 2pcf s GLU 26 N -5.54 1.48 0.11 1.61 2.02 -1.26 -4.43 118.70 112.68 2pcf s GLU 26 Ca 0.64 -0.48 -0.04 0.00 0.02 0.00 0.00 54.97 55.12 2pcf s GLU 26 Cb -0.09 -1.30 -0.05 0.00 0.10 0.00 0.00 34.13 32.79 2pcf s GLU 26 CO 0.49 0.17 0.33 0.42 0.02 0.00 0.00 175.26 176.69 2pcf s ILE 27 N 0.16 5.22 0.03 -1.63 1.09 -1.21 -4.92 121.20 119.94 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 0.02 0.10 -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 -2.76 120.40 118.99 2pcf s VAL 28 Ca 0.38 -0.83 0.04 0.00 0.00 0.00 0.00 61.98 61.58 2pcf s VAL 28 Cb -0.12 -0.73 0.17 0.00 0.00 0.00 0.00 36.38 35.70 2pcf s VAL 28 CO 0.24 -0.08 0.39 -0.36 0.00 0.00 0.00 175.10 175.29 2pcf s PHE 29 N -0.83 1.95 -0.14 5.22 0.08 -1.00 -2.49 117.98 120.77 2pcf s PHE 29 Ca -0.02 -2.67 -0.29 0.00 0.12 0.00 0.00 56.93 54.07 2pcf s PHE 29 Cb -0.07 -1.54 -0.01 0.00 -0.57 0.00 0.00 43.02 40.83 2pcf s PHE 29 CO 0.01 -0.73 0.98 0.15 -0.10 0.00 0.00 175.22 175.52 2pcf s LYS 30 N -0.45 4.37 -0.32 0.44 1.02 -0.48 -2.90 119.74 121.42 2pcf s LYS 30 Ca 0.30 1.31 -0.15 0.00 0.02 0.00 0.00 55.97 57.45 2pcf s LYS 30 Cb 0.00 -3.56 -0.02 0.00 -0.52 0.00 0.00 37.83 33.73 2pcf s LYS 30 CO -0.18 -0.36 0.37 0.54 -0.92 0.00 0.00 175.35 174.79 2pcf s ASN 31 N 1.12 6.20 -0.01 2.83 4.22 -1.20 0.17 114.94 128.28 2pcf s ASN 31 Ca 0.46 -0.05 -0.01 0.00 -2.14 0.00 0.00 52.86 51.12 2pcf s ASN 31 Cb -0.17 -2.20 -0.00 0.00 1.28 0.00 0.00 41.25 40.15 2pcf s ASN 31 CO 0.15 -0.29 -0.02 -3.20 -2.04 0.00 0.00 177.10 171.70 2pcf n ASN 32 N 5.38 0.15 -4.23 3.54 5.15 -0.59 -3.30 115.26 121.35 2pcf n ASN 32 Ca -0.09 0.17 -0.20 0.00 -0.60 0.00 0.00 54.58 53.86 2pcf n ASN 32 Cb 0.50 -0.52 -0.12 0.00 -0.53 0.00 0.00 39.78 39.10 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 -2.98 1.51 0.00 5.20 0.00 -1.25 -4.64 121.76 119.59 2pcf s ALA 33 Ca -0.02 -1.17 0.00 0.00 0.00 0.00 0.00 51.96 50.77 2pcf s ALA 33 Cb 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 23.12 22.97 2pcf s ALA 33 CO 0.02 0.23 0.00 0.41 0.00 0.00 0.00 175.76 176.42 2pcf n GLY 34 N 1.01 0.85 3.48 0.00 0.00 -1.26 -4.05 105.19 105.22 2pcf n GLY 34 Ca -0.19 -0.01 -0.30 0.00 0.00 0.00 0.00 46.02 45.52 2pcf n GLY 34 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 2pcf n PHE 35 N -2.30 -0.82 -2.76 1.61 1.16 -1.26 -4.61 117.46 108.48 2pcf n PHE 35 Ca 0.00 0.06 -0.33 0.00 -1.87 0.00 0.00 57.45 55.30 2pcf n PHE 35 Cb 0.00 -1.76 -0.06 0.00 -1.61 0.00 0.00 39.48 36.05 2pcf n PHE 35 CO 0.00 0.00 0.00 -1.25 -1.87 0.00 0.00 176.76 173.64 2pcf s PRO 36 N -4.22 4.14 -0.36 3.97 0.04 -1.26 -5.04 135.00 132.27 2pcf s PRO 36 Ca 0.65 1.17 0.07 0.00 0.04 0.00 0.00 61.00 62.93 2pcf s PRO 36 Cb -0.22 -2.16 0.44 0.00 0.04 0.00 0.00 34.50 32.60 2pcf s PRO 36 CO 0.64 -0.11 1.14 0.72 0.04 0.00 0.00 177.00 179.42 2pcf n HIS 37 N -0.71 2.94 -2.18 0.56 8.25 -0.59 -4.61 115.22 118.88 2pcf n HIS 37 Ca 0.07 -2.67 -0.43 0.00 -0.26 0.00 0.00 57.72 54.44 2pcf n HIS 37 Cb 0.54 -0.21 -0.02 0.00 1.12 0.00 0.00 29.99 31.41 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 -3.56 6.72 0.25 0.41 4.22 -1.26 -4.85 114.94 116.86 2pcf s ASN 38 Ca 0.47 1.92 -0.06 0.00 -2.14 0.00 0.00 52.86 53.05 2pcf s ASN 38 Cb 0.40 -2.53 -0.06 0.00 1.28 0.00 0.00 41.25 40.34 2pcf s ASN 38 CO -0.07 -0.93 0.53 0.68 -2.04 0.00 0.00 177.10 175.27 2pcf s VAL 39 N 4.05 5.01 -0.06 3.54 -7.23 -1.26 -1.60 120.40 122.86 2pcf s VAL 39 Ca 0.66 0.19 -0.02 0.00 -1.81 0.00 0.00 61.98 60.99 2pcf s VAL 39 Cb -0.27 -3.68 0.03 0.00 0.56 0.00 0.00 36.38 33.02 2pcf s VAL 39 CO 0.24 -0.19 0.08 0.68 -0.31 0.00 0.00 175.10 175.60 2pcf s VAL 40 N -1.94 -0.13 0.18 1.32 -7.23 -1.02 -3.17 120.40 108.41 2pcf s VAL 40 Ca 0.45 0.38 -0.31 0.00 -1.81 0.00 0.00 61.98 60.69 2pcf s VAL 40 Cb -0.11 -0.20 -0.09 0.00 0.56 0.00 0.00 36.38 36.54 2pcf s VAL 40 CO 0.26 0.14 1.41 -0.36 -0.31 0.00 0.00 175.10 176.25 2pcf s PHE 41 N 2.19 3.16 0.34 2.82 0.40 -1.26 -3.47 117.98 122.16 2pcf s PHE 41 Ca 0.05 0.98 -0.00 0.00 -0.60 0.00 0.00 56.93 57.36 2pcf s PHE 41 Cb -0.12 -3.74 -0.03 0.00 0.51 0.00 0.00 43.02 39.64 2pcf s PHE 41 CO -0.04 -2.50 0.55 0.34 0.70 0.00 0.00 175.22 174.27 2pcf s ASP 42 N 0.73 6.31 -0.34 1.36 -1.08 -1.20 -4.75 116.67 117.70 2pcf s ASP 42 Ca 0.62 0.48 0.09 0.00 -0.52 0.00 0.00 52.55 53.22 2pcf s ASP 42 Cb -0.39 -2.04 0.75 0.00 -1.46 0.00 0.00 42.92 39.77 2pcf s ASP 42 CO 0.36 -0.28 1.83 1.21 0.52 0.00 0.00 175.17 178.80 2pcf n GLU 43 N -1.68 3.63 -0.01 4.34 4.07 -1.26 -4.17 120.64 125.56 2pcf n GLU 43 Ca -0.04 -3.07 0.10 0.00 -0.06 0.00 0.00 57.16 54.08 2pcf n GLU 43 Cb 0.56 -2.22 -0.14 0.00 -0.06 0.00 0.00 31.44 29.57 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 -0.22 0.61 -2.05 4.31 8.00 -1.26 -4.48 116.55 121.46 2pcf n ASP 44 Ca 0.43 -0.25 -0.05 0.00 0.71 0.00 0.00 54.79 55.63 2pcf n ASP 44 Cb 1.43 1.66 0.06 0.00 -0.02 0.00 0.00 41.12 44.24 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 -1.99 1.90 -3.91 -1.24 1.02 -1.26 -5.07 120.64 110.10 2pcf n GLU 45 Ca -0.02 -3.38 -0.36 0.00 -0.02 0.00 0.00 57.16 53.39 2pcf n GLU 45 Cb 0.45 -1.49 -0.06 0.00 -0.02 0.00 0.00 31.44 30.33 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 -3.22 5.41 -0.04 -3.67 1.01 -1.26 -4.19 121.20 115.24 2pcf s ILE 46 Ca 0.37 0.07 -0.05 0.00 0.00 0.00 0.00 60.65 61.03 2pcf s ILE 46 Cb 0.37 -3.41 -0.03 0.00 0.01 0.00 0.00 42.46 39.40 2pcf s ILE 46 CO -0.05 0.53 0.30 1.55 0.00 0.00 0.00 174.94 177.27 2pcf h PRO 47 N 4.63 -0.19 0.00 2.79 0.13 -1.93 -3.47 132.00 133.95 2pcf h PRO 47 Ca -0.53 0.01 -0.23 0.00 -0.87 0.00 0.00 66.00 64.38 2pcf h PRO 47 Cb 1.21 0.04 0.07 0.00 0.13 0.00 0.00 31.00 32.46 2pcf h PRO 47 CO 0.61 -0.13 0.15 0.45 -0.23 0.00 0.00 178.00 178.86 2pcf n SER 48 N -3.91 0.34 0.00 1.44 2.88 -1.26 -5.09 113.62 108.03 2pcf n SER 48 Ca -0.02 -1.41 0.00 0.00 -1.33 0.00 0.00 58.87 56.11 2pcf n SER 48 Cb 0.08 -0.45 0.00 0.00 -0.75 0.00 0.00 64.21 63.09 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 0.65 1.27 1.35 0.46 0.00 -1.26 -5.04 105.19 102.63 2pcf n GLY 49 Ca 0.09 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.20 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 -1.58 -3.10 1.61 3.14 -1.26 -4.92 118.33 112.22 2pcf n VAL 50 Ca 0.00 1.05 -0.24 0.00 -2.96 0.00 0.00 64.34 62.20 2pcf n VAL 50 Cb 0.00 -1.67 0.00 0.00 -1.06 0.00 0.00 33.84 31.11 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 -6.24 6.06 0.32 6.55 2.15 -1.26 -5.00 116.67 119.26 2pcf s ASP 51 Ca 0.00 0.42 0.20 0.00 0.43 0.00 0.00 52.55 53.61 2pcf s ASP 51 Cb 0.00 -1.81 0.17 0.00 -0.30 0.00 0.00 42.92 40.98 2pcf s ASP 51 CO 0.00 -0.53 1.41 0.00 -0.17 0.00 0.00 175.17 175.88 2pcf h ALA 52 N 0.51 0.80 0.00 3.66 0.00 -1.91 -3.20 119.26 119.12 2pcf h ALA 52 Ca -0.48 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.24 2pcf h ALA 52 Cb 1.23 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.02 2pcf h ALA 52 CO 0.59 0.25 0.00 0.00 0.00 0.00 0.00 179.25 180.09 2pcf n ALA 53 N -2.17 1.75 0.04 0.00 0.00 -1.26 -0.32 120.51 118.54 2pcf n ALA 53 Ca 0.02 0.01 -0.03 0.00 0.00 0.00 0.00 53.44 53.44 2pcf n ALA 53 Cb 0.62 -1.34 -0.09 0.00 0.00 0.00 0.00 19.45 18.64 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 -0.08 0.00 1.63 -1.97 -3.35 116.57 112.80 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 0.35 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.98 2pcf h LYS 54 CO 0.00 0.51 0.00 0.44 -3.45 0.00 0.00 179.45 176.95 2pcf n ILE 55 N -3.07 0.63 -3.93 2.00 -5.35 -1.04 -5.03 119.36 103.58 2pcf n ILE 55 Ca -0.08 -0.82 -0.25 0.00 -0.27 0.00 0.00 62.75 61.33 2pcf n ILE 55 Cb 0.90 0.71 -0.03 0.00 -1.74 0.00 0.00 39.64 39.49 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 -0.75 4.64 0.33 7.28 0.01 0.57 -4.08 113.70 121.70 2pcf s SER 56 Ca 0.07 -1.12 0.02 0.00 1.31 0.00 0.00 55.95 56.22 2pcf s SER 56 Cb 0.04 -0.01 -0.03 0.00 0.21 0.00 0.00 66.02 66.23 2pcf s SER 56 CO 0.05 -0.85 0.52 -0.04 0.41 0.00 0.00 173.24 173.33 2pcf s MET 57 N -4.13 3.43 0.06 12.44 -1.94 -1.19 -4.88 119.30 123.09 2pcf s MET 57 Ca 0.37 -0.46 0.00 0.00 -1.71 0.00 0.00 55.69 53.90 2pcf s MET 57 Cb -0.01 -2.70 0.01 0.00 2.01 0.00 0.00 34.83 34.14 2pcf s MET 57 CO 0.22 0.17 0.08 0.45 -0.01 0.00 0.00 175.02 175.93 2pcf n SER 58 N -1.73 0.15 0.05 3.03 2.88 -1.26 -4.96 113.62 111.77 2pcf n SER 58 Ca -0.05 -1.12 -0.01 0.00 -1.33 0.00 0.00 58.87 56.37 2pcf n SER 58 Cb 0.57 -0.05 -0.07 0.00 -0.75 0.00 0.00 64.21 63.91 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 0.14 -1.46 9.09 -2.04 -3.35 114.58 116.96 2pcf h GLU 59 Ca -0.03 0.00 -0.28 0.00 0.05 0.00 0.00 59.36 59.10 2pcf h GLU 59 Cb 0.11 0.00 0.01 0.00 -1.65 0.00 0.00 28.75 27.22 2pcf h GLU 59 CO 0.03 0.39 -1.29 0.93 0.05 0.00 0.00 179.01 179.12 2pcf h GLU 60 N 0.00 0.29 -4.86 1.06 3.07 -2.06 -3.40 114.58 108.69 2pcf h GLU 60 Ca -0.13 -0.50 -0.70 0.00 -0.50 0.00 0.00 59.36 57.53 2pcf h GLU 60 Cb 1.59 0.19 -0.19 0.00 -0.84 0.00 0.00 28.75 29.50 2pcf h GLU 60 CO 0.06 1.23 0.59 -0.51 -1.40 0.00 0.00 179.01 178.97 2pcf s ASP 61 N -7.17 6.52 -0.02 1.42 1.11 -1.26 -5.01 116.67 112.26 2pcf s ASP 61 Ca -0.05 -1.91 0.05 0.00 0.18 0.00 0.00 52.55 50.82 2pcf s ASP 61 Cb 0.07 -2.36 -0.03 0.00 1.07 0.00 0.00 42.92 41.67 2pcf s ASP 61 CO 0.89 -1.05 -0.15 -0.76 1.18 0.00 0.00 175.17 175.27 2pcf s LEU 62 N 2.51 2.68 -1.00 1.23 1.43 -1.26 -4.27 118.68 120.00 2pcf s LEU 62 Ca 0.26 -0.26 -0.17 0.00 -1.03 0.00 0.00 54.13 52.92 2pcf s LEU 62 Cb -0.10 -1.55 0.14 0.00 0.03 0.00 0.00 46.19 44.71 2pcf s LEU 62 CO -0.05 0.32 1.21 -0.76 0.23 0.00 0.00 176.35 177.30 2pcf s LEU 63 N -0.92 5.04 -0.12 1.79 1.02 -1.26 -4.69 118.68 119.54 2pcf s LEU 63 Ca 0.12 -2.29 0.08 0.00 0.02 0.00 0.00 54.13 52.06 2pcf s LEU 63 Cb -0.11 -2.40 -0.13 0.00 0.02 0.00 0.00 46.19 43.57 2pcf s LEU 63 CO 0.02 -0.98 -0.01 -3.20 0.02 0.00 0.00 176.35 172.20 2pcf n ASN 64 N 6.33 2.33 -4.78 2.29 5.15 -1.26 -1.54 115.26 123.78 2pcf n ASN 64 Ca 0.27 -0.02 -0.37 0.00 -0.60 0.00 0.00 54.58 53.86 2pcf n ASN 64 Cb 0.47 0.50 -0.04 0.00 -0.53 0.00 0.00 39.78 40.19 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 -2.29 3.14 -1.26 5.20 0.00 -1.26 -4.75 121.76 120.54 2pcf s ALA 65 Ca -0.10 0.77 -0.19 0.00 0.00 0.00 0.00 51.96 52.44 2pcf s ALA 65 Cb 0.04 -3.29 0.03 0.00 0.00 0.00 0.00 23.12 19.89 2pcf s ALA 65 CO 0.44 -0.25 1.78 -1.25 0.00 0.00 0.00 175.76 176.48 2pcf s PRO 66 N -2.31 3.60 0.00 0.00 0.04 -1.26 -3.09 135.00 131.98 2pcf s PRO 66 Ca 0.56 -1.77 0.00 0.00 0.04 0.00 0.00 61.00 59.83 2pcf s PRO 66 Cb -0.25 -5.46 0.00 0.00 0.04 0.00 0.00 34.50 28.83 2pcf s PRO 66 CO 0.31 -2.70 0.00 0.41 0.04 0.00 0.00 177.00 175.06 2pcf n GLY 67 N 5.54 0.23 3.76 0.56 0.00 -1.21 -4.98 105.19 109.09 2pcf n GLY 67 Ca 0.48 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 46.13 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 3.31 0.01 1.61 2.56 -1.18 -4.86 118.70 120.16 2pcf s GLU 68 Ca 0.00 1.79 0.02 0.00 0.00 0.00 0.00 54.97 56.77 2pcf s GLU 68 Cb 0.00 -2.11 -0.01 0.00 2.00 0.00 0.00 34.13 34.01 2pcf s GLU 68 CO 0.00 -0.92 -0.06 0.95 -0.56 0.00 0.00 175.26 174.67 2pcf s THR 69 N -1.61 0.43 -0.36 -1.70 -4.23 -1.26 -3.21 115.64 103.70 2pcf s THR 69 Ca 0.72 -0.56 -0.08 0.00 -1.18 0.00 0.00 61.69 60.58 2pcf s THR 69 Cb -0.29 -0.43 0.04 0.00 1.34 0.00 0.00 72.50 73.17 2pcf s THR 69 CO 0.33 -0.10 0.16 -0.47 -0.54 0.00 0.00 174.62 173.99 2pcf s TYR 70 N -0.65 3.27 -0.16 3.99 5.04 -1.14 -4.84 117.35 122.85 2pcf s TYR 70 Ca -0.03 -1.32 -0.08 0.00 -2.44 0.00 0.00 57.07 53.19 2pcf s TYR 70 Cb -0.05 -2.43 -0.04 0.00 0.35 0.00 0.00 41.96 39.78 2pcf s TYR 70 CO 0.00 -0.73 0.13 0.15 -1.34 0.00 0.00 175.55 173.76 2pcf s LYS 71 N 1.45 3.83 -0.20 4.97 3.01 -1.26 -2.39 119.74 129.14 2pcf s LYS 71 Ca 0.00 -0.20 0.01 0.00 -1.01 0.00 0.00 55.97 54.77 2pcf s LYS 71 Cb -0.20 -3.29 0.04 0.00 -1.01 0.00 0.00 37.83 33.37 2pcf s LYS 71 CO 0.04 0.51 -0.12 0.08 0.51 0.00 0.00 175.35 176.37 2pcf s VAL 72 N -0.25 1.76 -0.63 3.17 1.01 -1.11 -4.94 120.40 119.40 2pcf s VAL 72 Ca 0.11 -1.08 -0.24 0.00 0.00 0.00 0.00 61.98 60.77 2pcf s VAL 72 Cb -0.12 -1.80 0.05 0.00 0.00 0.00 0.00 36.38 34.51 2pcf s VAL 72 CO 0.01 0.19 1.03 -0.89 0.00 0.00 0.00 175.10 175.44 2pcf s THR 73 N 1.35 4.21 -0.06 3.92 2.01 -1.26 -3.33 115.64 122.48 2pcf s THR 73 Ca -0.01 0.08 -0.05 0.00 0.31 0.00 0.00 61.69 62.01 2pcf s THR 73 Cb -0.16 -4.68 -0.04 0.00 0.01 0.00 0.00 72.50 67.62 2pcf s THR 73 CO -0.08 -1.41 0.18 -0.76 -0.69 0.00 0.00 174.62 171.86 2pcf s LEU 74 N 4.40 4.38 0.00 4.42 1.02 -1.26 -4.98 118.68 126.66 2pcf s LEU 74 Ca 0.29 0.44 0.00 0.00 0.02 0.00 0.00 54.13 54.88 2pcf s LEU 74 Cb -0.13 -2.37 0.00 0.00 0.02 0.00 0.00 46.19 43.71 2pcf s LEU 74 CO 0.15 0.33 0.00 0.35 0.02 0.00 0.00 176.35 177.20 2pcf n THR 75 N 1.46 0.00 -2.05 5.49 -2.24 -1.26 -3.86 114.28 111.81 2pcf n THR 75 Ca -0.15 0.00 -0.35 0.00 -2.27 0.00 0.00 64.05 61.28 2pcf n THR 75 Cb 0.54 -0.40 0.02 0.00 -2.10 0.00 0.00 70.33 68.39 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 -1.70 3.07 -0.26 -0.78 8.01 -1.26 -4.55 118.70 121.24 2pcf s GLU 76 Ca 0.00 1.66 -0.13 0.00 0.01 0.00 0.00 54.97 56.51 2pcf s GLU 76 Cb 0.00 -1.96 -0.04 0.00 -4.31 0.00 0.00 34.13 27.81 2pcf s GLU 76 CO 0.00 -1.08 0.27 0.15 0.01 0.00 0.00 175.26 174.60 2pcf s LYS 77 N -3.46 4.01 0.00 1.61 1.02 -1.26 -4.73 119.74 116.93 2pcf s LYS 77 Ca 0.73 -0.14 0.00 0.00 0.02 0.00 0.00 55.97 56.59 2pcf s LYS 77 Cb -0.26 -3.63 0.00 0.00 -0.52 0.00 0.00 37.83 33.43 2pcf s LYS 77 CO 0.32 -0.16 0.00 0.41 -0.92 0.00 0.00 175.35 175.00 2pcf n GLY 78 N 4.69 -1.50 3.25 -3.33 0.00 0.87 -4.85 105.19 104.32 2pcf n GLY 78 Ca -0.12 -1.09 -0.35 0.00 0.00 0.00 0.00 46.02 44.46 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 -2.81 3.24 0.71 2.61 2.01 -1.26 -1.92 115.64 118.21 2pcf s THR 79 Ca 0.00 -0.92 0.01 0.00 0.31 0.00 0.00 61.69 61.09 2pcf s THR 79 Cb 0.00 -2.66 0.13 0.00 0.01 0.00 0.00 72.50 69.98 2pcf s THR 79 CO 0.00 0.16 0.97 -0.31 -0.69 0.00 0.00 174.62 174.75 2pcf s TYR 80 N 1.38 1.43 -0.35 4.92 1.51 -0.23 -4.40 117.35 121.61 2pcf s TYR 80 Ca 0.01 -0.39 0.03 0.00 -1.01 0.00 0.00 57.07 55.71 2pcf s TYR 80 Cb -0.17 -2.86 0.16 0.00 -0.11 0.00 0.00 41.96 38.97 2pcf s TYR 80 CO -0.02 -1.68 0.39 0.21 -1.11 0.00 0.00 175.55 173.34 2pcf s LYS 81 N -5.08 0.57 0.22 -0.62 2.36 -1.26 -3.21 119.74 112.72 2pcf s LYS 81 Ca 0.66 -0.55 0.00 0.00 -2.55 0.00 0.00 55.97 53.53 2pcf s LYS 81 Cb -0.05 -0.58 -0.04 0.00 -1.05 0.00 0.00 37.83 36.11 2pcf s LYS 81 CO 0.44 -1.15 0.40 -0.59 1.55 0.00 0.00 175.35 176.00 2pcf s PHE 82 N 1.78 3.48 0.03 4.03 -0.12 -0.93 -3.24 117.98 123.00 2pcf s PHE 82 Ca 0.15 0.29 -0.07 0.00 -0.05 0.00 0.00 56.93 57.24 2pcf s PHE 82 Cb -0.14 -1.82 -0.00 0.00 -0.63 0.00 0.00 43.02 40.44 2pcf s PHE 82 CO -0.12 0.37 0.14 1.52 -0.05 0.00 0.00 175.22 177.08 2pcf s TYR 83 N -1.91 0.10 -0.42 3.49 1.13 -1.23 -2.20 117.35 116.31 2pcf s TYR 83 Ca 0.38 -0.31 -0.28 0.00 -1.41 0.00 0.00 57.07 55.45 2pcf s TYR 83 Cb -0.11 -0.08 -0.02 0.00 -1.10 0.00 0.00 41.96 40.66 2pcf s TYR 83 CO 0.30 -0.36 1.81 0.00 -2.51 0.00 0.00 175.55 174.79 2pcf h SER 85 N 13.54 -1.19 0.00 0.00 0.87 -1.63 0.23 113.55 125.36 2pcf h SER 85 Ca -0.31 0.20 -0.04 0.00 -1.23 0.00 0.00 61.79 60.42 2pcf h SER 85 Cb 1.17 0.55 -0.01 0.00 -0.44 0.00 0.00 62.40 63.66 2pcf h SER 85 CO 1.09 -0.33 -0.05 -0.81 -0.53 0.00 0.00 176.83 176.20 2pcf n PRO 86 N -5.42 0.96 0.00 2.24 -0.04 -1.26 -2.99 135.00 128.49 2pcf n PRO 86 Ca 0.01 -0.19 0.00 0.00 -0.04 0.00 0.00 63.50 63.28 2pcf n PRO 86 Cb 0.34 -1.30 0.00 0.00 -0.04 0.00 0.00 33.50 32.51 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 1.85 0.00 0.11 0.54 8.25 -0.06 -4.92 115.22 120.99 2pcf n HIS 87 Ca 0.08 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.52 2pcf n HIS 87 Cb 0.46 0.00 0.23 0.00 1.12 0.00 0.00 29.99 31.80 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 0.19 -0.01 -0.41 -0.00 -0.54 -2.46 115.11 111.87 2pcf h GLN 88 Ca 0.00 -0.09 0.00 0.00 -0.00 0.00 0.00 58.65 58.56 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 0.60 -0.30 0.41 -0.00 0.00 0.00 178.83 179.53 2pcf n GLY 89 N -0.15 -0.39 0.01 0.06 0.00 -1.26 -4.42 105.19 99.04 2pcf n GLY 89 Ca -0.02 -0.48 -0.00 0.00 0.00 0.00 0.00 46.02 45.53 2pcf n GLY 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pcf h ALA 90 N 3.78 -0.31 0.00 4.61 0.00 -1.82 -3.48 119.26 122.03 2pcf h ALA 90 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2pcf h ALA 90 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.38 2pcf h ALA 90 CO 0.00 -0.31 0.00 0.41 0.00 0.00 0.00 179.25 179.35 2pcf n GLY 91 N 1.07 0.00 3.07 0.00 0.00 -1.22 -5.12 105.19 102.98 2pcf n GLY 91 Ca -0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 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 1.89 -0.08 1.61 0.23 -1.25 -4.86 119.30 116.84 2pcf s MET 92 Ca 0.00 -1.65 -0.07 0.00 -1.03 0.00 0.00 55.69 52.95 2pcf s MET 92 Cb 0.00 -3.18 0.02 0.00 -1.53 0.00 0.00 34.83 30.15 2pcf s MET 92 CO 0.00 -0.82 0.20 0.14 -2.03 0.00 0.00 175.02 172.51 2pcf s VAL 93 N 1.04 -0.01 0.50 5.16 -7.23 -1.26 -3.07 120.40 115.54 2pcf s VAL 93 Ca 0.03 0.03 0.02 0.00 -1.81 0.00 0.00 61.98 60.25 2pcf s VAL 93 Cb -0.20 -0.29 -0.01 0.00 0.56 0.00 0.00 36.38 36.43 2pcf s VAL 93 CO -0.06 0.01 0.05 -0.83 -0.31 0.00 0.00 175.10 173.96 2pcf s GLY 94 N 0.29 2.90 -0.12 2.32 0.00 -0.93 -4.77 107.32 107.00 2pcf s GLY 94 Ca -0.01 -0.69 -0.09 0.00 0.00 0.00 0.00 44.72 43.93 2pcf s GLY 94 CO -0.01 -2.16 0.30 -1.59 0.00 0.00 0.00 173.10 169.64 2pcf s LYS 95 N -3.90 0.33 -0.47 2.90 -2.85 -1.17 -2.20 119.74 112.37 2pcf s LYS 95 Ca 0.12 0.47 -0.21 0.00 -1.00 0.00 0.00 55.97 55.35 2pcf s LYS 95 Cb 0.02 0.10 0.04 0.00 -2.06 0.00 0.00 37.83 35.93 2pcf s LYS 95 CO 0.07 -0.07 0.67 0.08 0.10 0.00 0.00 175.35 176.20 2pcf s VAL 96 N 0.45 4.79 -1.22 1.79 1.01 -1.20 -3.60 120.40 122.43 2pcf s VAL 96 Ca -0.02 -0.05 -0.06 0.00 0.00 0.00 0.00 61.98 61.84 2pcf s VAL 96 Cb -0.04 -4.27 0.20 0.00 0.00 0.00 0.00 36.38 32.27 2pcf s VAL 96 CO -0.02 -0.72 1.90 0.41 0.00 0.00 0.00 175.10 176.67 2pcf n THR 97 N 5.82 4.95 -2.70 3.92 -1.04 -0.95 -1.07 114.28 123.22 2pcf n THR 97 Ca -0.03 -4.88 -0.40 0.00 -2.04 0.00 0.00 64.05 56.70 2pcf n THR 97 Cb 0.47 -2.15 -0.05 0.00 -1.82 0.00 0.00 70.33 66.78 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 -1.15 4.04 0.00 12.58 0.11 -0.81 -2.50 120.40 132.68 2pcf s VAL 98 Ca 0.41 1.98 0.00 0.00 -2.93 0.00 0.00 61.98 61.44 2pcf s VAL 98 Cb 0.12 -4.26 0.00 0.00 -1.53 0.00 0.00 36.38 30.71 2pcf s VAL 98 CO -0.01 0.44 0.00 -0.46 -3.33 0.00 0.00 175.10 171.74