#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 3.27 -0.22 1.45 2.02 -1.26 -3.92 118.70 120.04 2pcf s GLU 2 Ca 0.00 1.12 -0.09 0.00 0.02 0.00 0.00 54.97 56.03 2pcf s GLU 2 Cb 0.00 -4.18 -0.04 0.00 0.10 0.00 0.00 34.13 30.00 2pcf s GLU 2 CO 0.00 -1.94 0.10 0.08 0.02 0.00 0.00 175.26 173.52 2pcf s VAL 3 N 6.87 4.89 -0.42 2.63 1.01 -1.04 -4.14 120.40 130.19 2pcf s VAL 3 Ca 0.72 0.01 -0.05 0.00 0.00 0.00 0.00 61.98 62.66 2pcf s VAL 3 Cb -0.18 -3.25 0.11 0.00 0.00 0.00 0.00 36.38 33.06 2pcf s VAL 3 CO 0.31 0.38 0.24 -0.76 0.00 0.00 0.00 175.10 175.27 2pcf s LEU 4 N 0.96 5.34 0.14 3.92 1.43 -0.14 -1.38 118.68 128.95 2pcf s LEU 4 Ca 0.05 -1.95 -0.31 0.00 -1.03 0.00 0.00 54.13 50.89 2pcf s LEU 4 Cb -0.14 -1.88 -0.10 0.00 0.03 0.00 0.00 46.19 44.10 2pcf s LEU 4 CO 0.03 -0.58 1.61 -0.76 0.23 0.00 0.00 176.35 176.88 2pcf s LEU 5 N 1.22 4.37 0.00 1.79 1.43 0.19 -3.89 118.68 123.79 2pcf s LEU 5 Ca 0.07 2.61 0.00 0.00 -1.03 0.00 0.00 54.13 55.77 2pcf s LEU 5 Cb -0.24 -3.59 0.00 0.00 0.03 0.00 0.00 46.19 42.40 2pcf s LEU 5 CO -0.03 -0.86 0.00 0.61 0.23 0.00 0.00 176.35 176.30 2pcf n GLY 6 N 3.85 -0.98 0.00 -3.19 0.00 -1.19 -1.70 105.19 101.99 2pcf n GLY 6 Ca 0.15 -1.23 0.00 0.00 0.00 0.00 0.00 46.02 44.94 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 0.74 0.39 0.00 -0.02 0.00 -0.75 -4.58 105.19 100.96 2pcf n GLY 7 Ca 0.00 -0.05 0.02 0.00 0.00 0.00 0.00 46.02 45.99 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 4.40 0.34 0.01 -0.02 0.00 -1.26 -4.55 105.19 104.10 2pcf n GLY 8 Ca 0.00 -0.11 -0.01 0.00 0.00 0.00 0.00 46.02 45.90 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 -1.29 4.08 0.00 1.61 5.75 -1.26 -5.00 116.55 120.45 2pcf n ASP 9 Ca 0.00 -0.01 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 2pcf n ASP 9 Cb 0.08 0.12 0.00 0.00 -1.03 0.00 0.00 41.12 40.29 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 3.29 0.00 3.38 6.12 0.00 -1.26 -4.93 105.19 111.79 2pcf n GLY 10 Ca -0.03 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.55 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 6.26 -0.89 1.61 0.15 -1.26 -4.82 113.70 114.74 2pcf s SER 11 Ca 0.00 -1.57 -0.24 0.00 0.70 0.00 0.00 55.95 54.83 2pcf s SER 11 Cb 0.00 -2.30 -0.01 0.00 -1.71 0.00 0.00 66.02 62.00 2pcf s SER 11 CO 0.00 -1.08 1.73 -0.76 1.20 0.00 0.00 173.24 174.33 2pcf s LEU 12 N 2.52 3.29 -0.28 3.45 1.43 -1.26 -1.80 118.68 126.02 2pcf s LEU 12 Ca 0.14 -0.79 -0.23 0.00 -1.03 0.00 0.00 54.13 52.22 2pcf s LEU 12 Cb -0.22 -2.56 0.10 0.00 0.03 0.00 0.00 46.19 43.55 2pcf s LEU 12 CO 0.04 -2.24 0.87 0.00 0.23 0.00 0.00 176.35 175.25 2pcf s ALA 13 N 8.00 -1.92 0.09 4.21 0.00 -1.26 -4.15 121.76 126.71 2pcf s ALA 13 Ca 0.59 2.04 -0.31 0.00 0.00 0.00 0.00 51.96 54.29 2pcf s ALA 13 Cb -0.05 -1.38 -0.08 0.00 0.00 0.00 0.00 23.12 21.61 2pcf s ALA 13 CO -0.00 -0.31 1.58 -0.06 0.00 0.00 0.00 175.76 176.98 2pcf s PHE 14 N 0.60 2.68 -0.30 0.00 0.40 -1.26 -3.65 117.98 116.45 2pcf s PHE 14 Ca -0.01 0.50 0.01 0.00 -0.60 0.00 0.00 56.93 56.82 2pcf s PHE 14 Cb -0.05 -3.90 0.09 0.00 0.51 0.00 0.00 43.02 39.68 2pcf s PHE 14 CO -0.06 -3.48 0.06 -0.51 0.70 0.00 0.00 175.22 171.92 2pcf s LEU 15 N 2.15 2.90 0.82 -0.37 1.02 -1.25 -1.19 118.68 122.76 2pcf s LEU 15 Ca 0.71 -1.65 -0.12 0.00 0.02 0.00 0.00 54.13 53.09 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 -0.37 1.19 -2.16 0.02 0.00 0.00 176.35 175.34 2pcf s PRO 16 N 1.40 1.85 -0.05 1.29 0.04 -1.26 -0.97 135.00 137.30 2pcf s PRO 16 Ca 0.07 0.09 0.16 0.00 0.04 0.00 0.00 61.00 61.36 2pcf s PRO 16 Cb -0.18 -1.94 0.53 0.00 0.04 0.00 0.00 34.50 32.95 2pcf s PRO 16 CO -0.17 -1.67 1.45 0.41 0.04 0.00 0.00 177.00 177.06 2pcf n GLY 17 N -3.30 2.85 3.15 0.56 0.00 -0.34 -4.84 105.19 103.28 2pcf n GLY 17 Ca 0.08 -0.69 0.05 0.00 0.00 0.00 0.00 46.02 45.46 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 -1.09 -1.01 0.29 1.61 -1.08 -1.26 -3.03 116.67 111.11 2pcf s ASP 18 Ca 0.39 0.40 0.05 0.00 -0.52 0.00 0.00 52.55 52.88 2pcf s ASP 18 Cb 0.24 1.75 -0.06 0.00 -1.46 0.00 0.00 42.92 43.39 2pcf s ASP 18 CO 0.22 -0.19 0.00 0.72 0.52 0.00 0.00 175.17 176.44 2pcf s PHE 19 N 2.90 1.91 -0.11 -5.34 -0.12 -1.24 -5.01 117.98 110.97 2pcf s PHE 19 Ca 0.13 -0.84 0.03 0.00 -0.05 0.00 0.00 56.93 56.20 2pcf s PHE 19 Cb -0.10 -1.17 0.00 0.00 -0.63 0.00 0.00 43.02 41.12 2pcf s PHE 19 CO -0.20 0.12 -0.23 -1.12 -0.05 0.00 0.00 175.22 173.75 2pcf s SER 20 N -3.45 3.00 0.07 1.98 0.01 -1.26 -2.17 113.70 111.88 2pcf s SER 20 Ca 0.32 -0.55 0.01 0.00 1.31 0.00 0.00 55.95 57.04 2pcf s SER 20 Cb 0.06 -1.38 -0.00 0.00 0.21 0.00 0.00 66.02 64.91 2pcf s SER 20 CO 0.13 0.13 0.02 1.33 0.41 0.00 0.00 173.24 175.26 2pcf n VAL 21 N 3.70 0.00 -4.35 3.43 0.24 -1.08 -4.95 118.33 115.33 2pcf n VAL 21 Ca -0.19 -0.38 -0.21 0.00 -2.04 0.00 0.00 64.34 61.51 2pcf n VAL 21 Cb 0.52 0.14 -0.08 0.00 -1.47 0.00 0.00 33.84 32.95 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 -2.18 2.16 -0.37 2.33 0.00 -1.26 -1.86 121.76 120.59 2pcf s ALA 22 Ca 0.03 -1.82 -0.29 0.00 0.00 0.00 0.00 51.96 49.88 2pcf s ALA 22 Cb 0.00 1.28 -0.00 0.00 0.00 0.00 0.00 23.12 24.40 2pcf s ALA 22 CO 0.02 -0.57 1.55 0.45 0.00 0.00 0.00 175.76 177.21 2pcf s SER 23 N -3.44 6.20 0.00 0.00 0.15 -1.26 -2.55 113.70 112.80 2pcf s SER 23 Ca 0.36 1.06 0.00 0.00 0.70 0.00 0.00 55.95 58.06 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 0.24 -1.50 0.00 0.61 1.20 0.00 0.00 173.24 173.79 2pcf n GLY 24 N 5.14 1.62 3.90 9.45 0.00 -1.25 -5.03 105.19 119.02 2pcf n GLY 24 Ca 0.19 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.92 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 2.71 -0.07 1.61 0.41 -1.06 -5.06 118.70 117.23 2pcf s GLU 25 Ca 0.00 0.24 0.04 0.00 -0.41 0.00 0.00 54.97 54.84 2pcf s GLU 25 Cb 0.00 -2.09 -0.00 0.00 -1.78 0.00 0.00 34.13 30.26 2pcf s GLU 25 CO 0.00 -1.03 -0.21 -1.21 -0.49 0.00 0.00 175.26 172.32 2pcf s GLU 26 N -5.28 2.48 0.15 1.61 2.02 -1.26 -4.41 118.70 114.01 2pcf s GLU 26 Ca 0.58 -0.75 -0.03 0.00 0.02 0.00 0.00 54.97 54.78 2pcf s GLU 26 Cb -0.11 -1.98 -0.05 0.00 0.10 0.00 0.00 34.13 32.09 2pcf s GLU 26 CO 0.49 0.21 0.36 0.42 0.02 0.00 0.00 175.26 176.76 2pcf s ILE 27 N 0.23 5.20 0.03 -1.63 1.09 -1.24 -4.93 121.20 119.96 2pcf s ILE 27 Ca -0.12 -0.12 0.03 0.00 -1.10 0.00 0.00 60.65 59.34 2pcf s ILE 27 Cb -0.16 -3.65 -0.02 0.00 -1.06 0.00 0.00 42.46 37.57 2pcf s ILE 27 CO 0.06 -0.01 -0.10 -0.69 -0.10 0.00 0.00 174.94 174.10 2pcf s VAL 28 N -1.70 0.76 -0.52 2.92 1.01 -1.25 -3.00 120.40 118.61 2pcf s VAL 28 Ca 0.40 -0.88 0.04 0.00 0.00 0.00 0.00 61.98 61.54 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 0.26 -0.12 0.40 -0.36 0.00 0.00 0.00 175.10 175.28 2pcf s PHE 29 N -0.91 2.02 0.04 5.22 0.08 -1.04 -2.49 117.98 120.89 2pcf s PHE 29 Ca -0.03 -2.71 -0.30 0.00 0.12 0.00 0.00 56.93 54.02 2pcf s PHE 29 Cb -0.07 -1.59 -0.04 0.00 -0.57 0.00 0.00 43.02 40.75 2pcf s PHE 29 CO 0.01 -0.72 0.95 0.15 -0.10 0.00 0.00 175.22 175.51 2pcf s LYS 30 N -0.52 4.60 -0.26 0.44 1.02 -0.48 -2.94 119.74 121.61 2pcf s LYS 30 Ca 0.30 1.40 -0.08 0.00 0.02 0.00 0.00 55.97 57.61 2pcf s LYS 30 Cb 0.01 -3.43 -0.03 0.00 -0.52 0.00 0.00 37.83 33.86 2pcf s LYS 30 CO -0.19 0.06 0.09 0.54 -0.92 0.00 0.00 175.35 174.93 2pcf s ASN 31 N 0.61 5.28 -0.04 2.83 4.22 -1.21 0.54 114.94 127.16 2pcf s ASN 31 Ca 0.49 -0.21 -0.04 0.00 -2.14 0.00 0.00 52.86 50.96 2pcf s ASN 31 Cb -0.22 -1.95 -0.01 0.00 1.28 0.00 0.00 41.25 40.35 2pcf s ASN 31 CO 0.28 -0.05 -0.07 -3.20 -2.04 0.00 0.00 177.10 172.02 2pcf n ASN 32 N 4.95 0.42 -4.29 3.54 5.15 -0.69 -3.28 115.26 121.05 2pcf n ASN 32 Ca -0.16 0.12 -0.24 0.00 -0.60 0.00 0.00 54.58 53.70 2pcf n ASN 32 Cb 0.51 -0.56 -0.13 0.00 -0.53 0.00 0.00 39.78 39.08 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 -2.97 1.85 0.00 5.20 0.00 -1.25 -4.69 121.76 119.89 2pcf s ALA 33 Ca -0.06 -1.26 0.00 0.00 0.00 0.00 0.00 51.96 50.65 2pcf s ALA 33 Cb 0.01 -0.26 0.00 0.00 0.00 0.00 0.00 23.12 22.87 2pcf s ALA 33 CO 0.08 0.38 0.00 0.41 0.00 0.00 0.00 175.76 176.63 2pcf n GLY 34 N 1.09 0.79 3.61 0.00 0.00 -1.26 -4.12 105.19 105.30 2pcf n GLY 34 Ca -0.19 -0.12 -0.30 0.00 0.00 0.00 0.00 46.02 45.41 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 1.58 0.58 1.61 -0.12 -1.26 -4.60 117.98 113.77 2pcf s PHE 35 Ca 0.00 1.52 -0.14 0.00 -0.05 0.00 0.00 56.93 58.26 2pcf s PHE 35 Cb 0.00 -3.22 -0.05 0.00 -0.63 0.00 0.00 43.02 39.11 2pcf s PHE 35 CO 0.00 -3.19 1.02 -1.25 -0.05 0.00 0.00 175.22 171.75 2pcf s PRO 36 N -4.60 3.66 -0.27 1.99 0.04 -1.26 -5.02 135.00 129.55 2pcf s PRO 36 Ca 0.67 0.89 0.13 0.00 0.04 0.00 0.00 61.00 62.73 2pcf s PRO 36 Cb -0.23 -2.09 0.48 0.00 0.04 0.00 0.00 34.50 32.70 2pcf s PRO 36 CO 0.60 -0.51 1.16 0.72 0.04 0.00 0.00 177.00 179.01 2pcf n HIS 37 N -2.24 2.10 -1.92 0.56 8.25 -0.90 -4.67 115.22 116.40 2pcf n HIS 37 Ca 0.07 -2.16 -0.42 0.00 -0.26 0.00 0.00 57.72 54.94 2pcf n HIS 37 Cb 0.54 -0.29 -0.03 0.00 1.12 0.00 0.00 29.99 31.33 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 -3.66 6.61 0.22 0.41 4.22 -1.26 -4.83 114.94 116.65 2pcf s ASN 38 Ca 0.41 2.36 -0.06 0.00 -2.14 0.00 0.00 52.86 53.43 2pcf s ASN 38 Cb 0.37 -2.54 -0.06 0.00 1.28 0.00 0.00 41.25 40.31 2pcf s ASN 38 CO 0.01 -0.95 0.49 0.68 -2.04 0.00 0.00 177.10 175.28 2pcf s VAL 39 N 3.95 5.04 -0.05 3.54 -7.23 -1.26 -1.55 120.40 122.85 2pcf s VAL 39 Ca 0.77 0.18 -0.01 0.00 -1.81 0.00 0.00 61.98 61.10 2pcf s VAL 39 Cb -0.36 -3.65 0.03 0.00 0.56 0.00 0.00 36.38 32.95 2pcf s VAL 39 CO 0.33 -0.11 0.03 0.68 -0.31 0.00 0.00 175.10 175.72 2pcf s VAL 40 N -1.84 0.12 0.15 1.32 -7.23 -1.04 -3.48 120.40 108.40 2pcf s VAL 40 Ca 0.44 0.26 -0.31 0.00 -1.81 0.00 0.00 61.98 60.56 2pcf s VAL 40 Cb -0.11 -0.31 -0.08 0.00 0.56 0.00 0.00 36.38 36.44 2pcf s VAL 40 CO 0.25 0.20 1.32 -0.36 -0.31 0.00 0.00 175.10 176.20 2pcf s PHE 41 N 1.90 3.29 0.27 2.82 0.40 -1.26 -3.44 117.98 121.96 2pcf s PHE 41 Ca 0.02 1.14 0.01 0.00 -0.60 0.00 0.00 56.93 57.50 2pcf s PHE 41 Cb -0.12 -3.60 -0.04 0.00 0.51 0.00 0.00 43.02 39.77 2pcf s PHE 41 CO -0.04 -1.95 0.45 0.34 0.70 0.00 0.00 175.22 174.73 2pcf s ASP 42 N 0.72 6.34 -0.72 1.36 -1.08 -1.24 -4.74 116.67 117.31 2pcf s ASP 42 Ca 0.60 0.35 -0.02 0.00 -0.52 0.00 0.00 52.55 52.96 2pcf s ASP 42 Cb -0.35 -1.99 0.32 0.00 -1.46 0.00 0.00 42.92 39.44 2pcf s ASP 42 CO 0.34 -0.15 2.14 1.21 0.52 0.00 0.00 175.17 179.23 2pcf n GLU 43 N -1.27 2.63 -0.00 4.34 4.07 -1.26 -4.23 120.64 124.92 2pcf n GLU 43 Ca -0.06 -3.18 -0.00 0.00 -0.06 0.00 0.00 57.16 53.86 2pcf n GLU 43 Cb 0.55 -2.22 -0.00 0.00 -0.06 0.00 0.00 31.44 29.71 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 -0.37 4.89 -0.49 4.31 8.00 -1.26 -4.72 116.55 126.91 2pcf n ASP 44 Ca 0.54 0.00 0.07 0.00 0.71 0.00 0.00 54.79 56.11 2pcf n ASP 44 Cb 0.40 0.68 0.14 0.00 -0.02 0.00 0.00 41.12 42.32 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 -1.85 1.14 -3.20 -1.24 1.02 -1.26 -5.04 120.64 110.19 2pcf n GLU 45 Ca -0.01 -2.66 -0.38 0.00 -0.02 0.00 0.00 57.16 54.10 2pcf n GLU 45 Cb 0.35 -1.28 -0.06 0.00 -0.02 0.00 0.00 31.44 30.43 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 -2.42 4.66 -0.06 -3.67 1.01 -1.26 -4.36 121.20 115.10 2pcf s ILE 46 Ca 0.31 1.27 -0.07 0.00 0.00 0.00 0.00 60.65 62.17 2pcf s ILE 46 Cb 0.30 -3.92 -0.04 0.00 0.01 0.00 0.00 42.46 38.82 2pcf s ILE 46 CO -0.04 0.45 0.29 1.55 0.00 0.00 0.00 174.94 177.20 2pcf h PRO 47 N 4.19 -0.23 0.00 2.79 0.13 -1.93 -3.47 132.00 133.48 2pcf h PRO 47 Ca -0.49 0.02 -0.38 0.00 -0.87 0.00 0.00 66.00 64.27 2pcf h PRO 47 Cb 1.21 0.05 0.10 0.00 0.13 0.00 0.00 31.00 32.49 2pcf h PRO 47 CO 0.64 -0.15 0.20 0.45 -0.23 0.00 0.00 178.00 178.91 2pcf n SER 48 N -4.74 0.74 0.00 1.44 2.88 -1.26 -5.09 113.62 107.59 2pcf n SER 48 Ca -0.03 -1.75 0.00 0.00 -1.33 0.00 0.00 58.87 55.76 2pcf n SER 48 Cb 0.09 -0.67 0.00 0.00 -0.75 0.00 0.00 64.21 62.88 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 -1.88 1.25 1.37 0.46 0.00 -1.26 -5.04 105.19 100.10 2pcf n GLY 49 Ca 0.14 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.29 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 -1.33 -3.01 1.61 3.14 -1.26 -4.89 118.33 112.59 2pcf n VAL 50 Ca 0.00 1.01 -0.28 0.00 -2.96 0.00 0.00 64.34 62.11 2pcf n VAL 50 Cb 0.00 -1.57 -0.02 0.00 -1.06 0.00 0.00 33.84 31.19 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 -6.62 6.41 0.29 6.55 2.15 -1.26 -4.99 116.67 119.21 2pcf s ASP 51 Ca 0.00 0.88 0.16 0.00 0.43 0.00 0.00 52.55 54.02 2pcf s ASP 51 Cb 0.00 -2.22 0.08 0.00 -0.30 0.00 0.00 42.92 40.49 2pcf s ASP 51 CO 0.00 -0.36 1.43 0.00 -0.17 0.00 0.00 175.17 176.06 2pcf h ALA 52 N 1.11 0.71 0.00 3.66 0.00 -1.90 -3.16 119.26 119.69 2pcf h ALA 52 Ca -0.47 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.02 2pcf h ALA 52 Cb 1.19 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.93 2pcf h ALA 52 CO 0.64 0.56 0.00 0.00 0.00 0.00 0.00 179.25 180.45 2pcf h ALA 53 N 1.56 1.00 0.04 0.00 0.00 -1.89 0.10 119.26 120.07 2pcf h ALA 53 Ca -0.01 0.00 -0.22 0.00 0.00 0.00 0.00 54.91 54.67 2pcf h ALA 53 Cb 1.35 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.12 2pcf h ALA 53 CO 0.06 0.00 -1.05 -0.22 0.00 0.00 0.00 179.25 178.04 2pcf h LYS 54 N 0.00 0.09 -0.03 0.00 1.63 -1.96 -3.31 116.57 113.00 2pcf h LYS 54 Ca 0.00 -0.15 0.00 0.00 -0.85 0.00 0.00 60.65 59.65 2pcf h LYS 54 Cb 0.49 0.05 0.00 0.00 -0.60 0.00 0.00 32.23 32.17 2pcf h LYS 54 CO 0.00 1.05 0.00 0.44 -3.45 0.00 0.00 179.45 177.49 2pcf n ILE 55 N -3.44 0.04 -3.38 2.00 -5.35 -1.11 -5.01 119.36 103.12 2pcf n ILE 55 Ca -0.03 -0.52 -0.22 0.00 -0.27 0.00 0.00 62.75 61.71 2pcf n ILE 55 Cb 0.94 1.19 0.03 0.00 -1.74 0.00 0.00 39.64 40.06 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 -0.90 4.94 0.25 7.28 0.01 0.35 -4.19 113.70 121.43 2pcf s SER 56 Ca 0.13 -0.98 0.03 0.00 1.31 0.00 0.00 55.95 56.44 2pcf s SER 56 Cb 0.09 0.28 -0.03 0.00 0.21 0.00 0.00 66.02 66.57 2pcf s SER 56 CO 0.13 -1.21 0.39 -0.04 0.41 0.00 0.00 173.24 172.93 2pcf s MET 57 N -4.49 3.45 0.00 12.44 -1.94 -1.23 -4.88 119.30 122.67 2pcf s MET 57 Ca 0.50 -0.63 0.00 0.00 -1.71 0.00 0.00 55.69 53.86 2pcf s MET 57 Cb -0.04 -2.85 0.00 0.00 2.01 0.00 0.00 34.83 33.95 2pcf s MET 57 CO 0.32 0.38 0.00 0.45 -0.01 0.00 0.00 175.02 176.16 2pcf n SER 58 N -1.34 0.00 -0.01 3.03 2.88 -1.26 -4.99 113.62 111.93 2pcf n SER 58 Ca -0.08 -0.64 -0.05 0.00 -1.33 0.00 0.00 58.87 56.77 2pcf n SER 58 Cb 0.56 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.90 2pcf n SER 58 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 2pcf n GLU 59 N -0.64 0.63 0.06 -1.46 0.00 -1.26 -4.13 120.64 113.85 2pcf n GLU 59 Ca 0.00 0.22 -0.09 0.00 0.00 0.00 0.00 57.16 57.29 2pcf n GLU 59 Cb 0.00 -1.76 -0.13 0.00 0.00 0.00 0.00 31.44 29.55 2pcf n GLU 59 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.13 178.06 2pcf h GLU 60 N 0.00 0.07 -5.02 3.44 3.07 -2.06 -3.40 114.58 110.67 2pcf h GLU 60 Ca -0.26 -0.11 -0.67 0.00 -0.50 0.00 0.00 59.36 57.82 2pcf h GLU 60 Cb 1.84 0.04 -0.18 0.00 -0.84 0.00 0.00 28.75 29.62 2pcf h GLU 60 CO 0.06 1.01 0.44 -0.51 -1.40 0.00 0.00 179.01 178.61 2pcf s ASP 61 N -6.77 6.30 0.06 1.42 1.11 -1.26 -5.01 116.67 112.53 2pcf s ASP 61 Ca -0.01 -1.45 0.10 0.00 0.18 0.00 0.00 52.55 51.37 2pcf s ASP 61 Cb 0.09 -2.36 -0.03 0.00 1.07 0.00 0.00 42.92 41.69 2pcf s ASP 61 CO 0.83 -1.21 -0.26 -0.76 1.18 0.00 0.00 175.17 174.95 2pcf s LEU 62 N 3.11 2.20 -1.19 1.23 1.43 -1.26 -4.31 118.68 119.88 2pcf s LEU 62 Ca 0.21 -0.62 -0.10 0.00 -1.03 0.00 0.00 54.13 52.59 2pcf s LEU 62 Cb -0.16 -1.26 0.21 0.00 0.03 0.00 0.00 46.19 45.01 2pcf s LEU 62 CO 0.04 0.24 1.52 0.18 0.23 0.00 0.00 176.35 178.56 2pcf n LEU 63 N 1.61 5.92 -0.07 1.79 4.32 -1.26 -4.67 117.00 124.63 2pcf n LEU 63 Ca -0.17 -4.76 -0.15 0.00 -0.02 0.00 0.00 56.01 50.91 2pcf n LEU 63 Cb 0.52 -1.49 -0.14 0.00 -1.62 0.00 0.00 43.42 40.69 2pcf n LEU 63 CO 0.23 1.21 -1.03 -3.20 -1.22 0.00 0.00 177.39 173.38 2pcf n ASN 64 N 3.80 1.27 -4.77 -1.43 5.15 -1.26 -2.12 115.26 115.90 2pcf n ASN 64 Ca 0.33 0.08 -0.38 0.00 -0.60 0.00 0.00 54.58 54.01 2pcf n ASN 64 Cb 0.38 -0.07 -0.03 0.00 -0.53 0.00 0.00 39.78 39.54 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 -2.53 3.19 -1.27 5.20 0.00 -1.26 -4.68 121.76 120.40 2pcf s ALA 65 Ca -0.20 0.85 -0.19 0.00 0.00 0.00 0.00 51.96 52.42 2pcf s ALA 65 Cb 0.07 -3.33 0.03 0.00 0.00 0.00 0.00 23.12 19.90 2pcf s ALA 65 CO 0.74 -0.32 1.79 -1.25 0.00 0.00 0.00 175.76 176.72 2pcf s PRO 66 N -2.17 3.63 0.00 0.00 0.04 -1.26 -3.11 135.00 132.13 2pcf s PRO 66 Ca 0.54 -1.80 0.00 0.00 0.04 0.00 0.00 61.00 59.78 2pcf s PRO 66 Cb -0.28 -5.47 0.00 0.00 0.04 0.00 0.00 34.50 28.79 2pcf s PRO 66 CO 0.35 -2.67 0.00 0.41 0.04 0.00 0.00 177.00 175.12 2pcf n GLY 67 N 5.50 0.20 3.76 0.56 0.00 -1.21 -4.97 105.19 109.04 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 3.25 0.01 1.61 2.56 -1.18 -4.85 118.70 120.10 2pcf s GLU 68 Ca 0.00 1.75 0.02 0.00 0.00 0.00 0.00 54.97 56.74 2pcf s GLU 68 Cb 0.00 -2.04 -0.01 0.00 2.00 0.00 0.00 34.13 34.07 2pcf s GLU 68 CO 0.00 -0.96 -0.06 0.95 -0.56 0.00 0.00 175.26 174.63 2pcf s THR 69 N -1.65 0.42 -0.37 -1.70 -4.23 -1.26 -3.35 115.64 103.50 2pcf s THR 69 Ca 0.73 -0.56 -0.09 0.00 -1.18 0.00 0.00 61.69 60.59 2pcf s THR 69 Cb -0.28 -0.42 0.04 0.00 1.34 0.00 0.00 72.50 73.18 2pcf s THR 69 CO 0.31 -0.11 0.19 -0.47 -0.54 0.00 0.00 174.62 174.00 2pcf s TYR 70 N -0.65 3.27 -0.18 3.99 5.04 -1.15 -4.85 117.35 122.83 2pcf s TYR 70 Ca -0.03 -1.26 -0.09 0.00 -2.44 0.00 0.00 57.07 53.24 2pcf s TYR 70 Cb -0.05 -2.51 -0.05 0.00 0.35 0.00 0.00 41.96 39.70 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 1.47 4.02 -0.23 4.97 3.01 -1.26 -2.50 119.74 129.22 2pcf s LYS 71 Ca 0.01 -0.20 0.02 0.00 -1.01 0.00 0.00 55.97 54.79 2pcf s LYS 71 Cb -0.20 -3.36 0.05 0.00 -1.01 0.00 0.00 37.83 33.30 2pcf s LYS 71 CO 0.04 0.41 -0.11 0.08 0.51 0.00 0.00 175.35 176.28 2pcf s VAL 72 N 0.04 1.90 -0.65 3.17 1.01 -1.16 -4.96 120.40 119.76 2pcf s VAL 72 Ca 0.10 -1.29 -0.25 0.00 0.00 0.00 0.00 61.98 60.54 2pcf s VAL 72 Cb -0.11 -1.98 0.05 0.00 0.00 0.00 0.00 36.38 34.33 2pcf s VAL 72 CO -0.01 0.10 1.09 -0.89 0.00 0.00 0.00 175.10 175.39 2pcf s THR 73 N 1.26 4.11 -0.05 3.92 2.01 -1.26 -3.58 115.64 122.05 2pcf s THR 73 Ca -0.04 0.17 -0.07 0.00 0.31 0.00 0.00 61.69 62.06 2pcf s THR 73 Cb -0.18 -4.73 -0.04 0.00 0.01 0.00 0.00 72.50 67.56 2pcf s THR 73 CO -0.07 -1.50 0.22 -0.76 -0.69 0.00 0.00 174.62 171.82 2pcf s LEU 74 N 4.67 4.39 0.00 4.42 1.02 -1.26 -4.98 118.68 126.94 2pcf s LEU 74 Ca 0.30 0.53 0.00 0.00 0.02 0.00 0.00 54.13 54.99 2pcf s LEU 74 Cb -0.12 -2.41 0.00 0.00 0.02 0.00 0.00 46.19 43.68 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 1.52 0.00 -1.96 5.49 -2.24 -1.26 -3.82 114.28 112.01 2pcf n THR 75 Ca -0.15 0.00 -0.34 0.00 -2.27 0.00 0.00 64.05 61.29 2pcf n THR 75 Cb 0.54 -0.31 0.03 0.00 -2.10 0.00 0.00 70.33 68.49 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 -1.73 2.98 -0.25 -0.78 8.01 -1.26 -4.56 118.70 121.11 2pcf s GLU 76 Ca 0.00 1.57 -0.11 0.00 0.01 0.00 0.00 54.97 56.44 2pcf s GLU 76 Cb 0.00 -1.96 -0.05 0.00 -4.31 0.00 0.00 34.13 27.81 2pcf s GLU 76 CO 0.00 -1.14 0.20 0.15 0.01 0.00 0.00 175.26 174.48 2pcf s LYS 77 N -3.65 4.03 0.00 1.61 1.02 -1.26 -4.73 119.74 116.76 2pcf s LYS 77 Ca 0.71 -0.24 0.00 0.00 0.02 0.00 0.00 55.97 56.46 2pcf s LYS 77 Cb -0.24 -3.59 0.00 0.00 -0.52 0.00 0.00 37.83 33.48 2pcf s LYS 77 CO 0.35 -0.04 0.00 0.41 -0.92 0.00 0.00 175.35 175.15 2pcf n GLY 78 N 4.54 -1.51 3.21 -3.33 0.00 0.61 -4.85 105.19 103.86 2pcf n GLY 78 Ca -0.14 -1.11 -0.36 0.00 0.00 0.00 0.00 46.02 44.42 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 -2.83 3.20 0.72 2.61 2.01 -1.26 -1.97 115.64 118.12 2pcf s THR 79 Ca 0.00 -1.24 -0.03 0.00 0.31 0.00 0.00 61.69 60.73 2pcf s THR 79 Cb 0.00 -2.79 0.11 0.00 0.01 0.00 0.00 72.50 69.83 2pcf s THR 79 CO 0.00 -0.07 1.01 -0.31 -0.69 0.00 0.00 174.62 174.56 2pcf s TYR 80 N 1.31 1.98 -0.38 4.92 1.51 0.03 -4.47 117.35 122.25 2pcf s TYR 80 Ca -0.03 -0.05 0.03 0.00 -1.01 0.00 0.00 57.07 56.01 2pcf s TYR 80 Cb -0.19 -3.13 0.16 0.00 -0.11 0.00 0.00 41.96 38.68 2pcf s TYR 80 CO -0.00 -1.66 0.37 0.21 -1.11 0.00 0.00 175.55 173.35 2pcf s LYS 81 N -5.20 0.68 0.12 -0.62 2.36 -1.26 -3.11 119.74 112.71 2pcf s LYS 81 Ca 0.65 -1.08 -0.10 0.00 -2.55 0.00 0.00 55.97 52.89 2pcf s LYS 81 Cb -0.07 -0.84 -0.06 0.00 -1.05 0.00 0.00 37.83 35.81 2pcf s LYS 81 CO 0.45 -1.23 0.44 -0.59 1.55 0.00 0.00 175.35 175.97 2pcf s PHE 82 N 1.20 3.55 0.08 4.03 -0.12 -0.99 -3.70 117.98 122.02 2pcf s PHE 82 Ca 0.19 0.81 0.04 0.00 -0.05 0.00 0.00 56.93 57.92 2pcf s PHE 82 Cb -0.14 -2.19 -0.03 0.00 -0.63 0.00 0.00 43.02 40.03 2pcf s PHE 82 CO -0.04 0.46 -0.10 1.52 -0.05 0.00 0.00 175.22 177.01 2pcf s TYR 83 N -1.51 0.99 -0.32 3.49 1.13 -1.22 -2.24 117.35 117.67 2pcf s TYR 83 Ca 0.37 -0.59 -0.28 0.00 -1.41 0.00 0.00 57.07 55.16 2pcf s TYR 83 Cb -0.13 -0.55 -0.03 0.00 -1.10 0.00 0.00 41.96 40.14 2pcf s TYR 83 CO 0.20 -0.02 1.93 0.00 -2.51 0.00 0.00 175.55 175.15 2pcf h SER 85 N 13.76 -1.01 0.00 0.00 0.02 -1.60 0.22 113.55 124.94 2pcf h SER 85 Ca -0.35 0.17 0.00 0.00 -0.84 0.00 0.00 61.79 60.77 2pcf h SER 85 Cb 1.19 0.47 0.00 0.00 0.14 0.00 0.00 62.40 64.20 2pcf h SER 85 CO 1.02 -0.32 0.00 -0.81 -1.14 0.00 0.00 176.83 175.58 2pcf n PRO 86 N -5.41 0.72 0.00 3.45 -0.04 -1.26 -3.36 135.00 129.10 2pcf n PRO 86 Ca -0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 2pcf n PRO 86 Cb 0.33 -1.14 0.00 0.00 -0.04 0.00 0.00 33.50 32.65 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 0.95 0.00 0.00 0.54 8.25 0.60 -4.97 115.22 120.59 2pcf n HIS 87 Ca 0.00 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.34 2pcf n HIS 87 Cb 0.36 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.38 2pcf n HIS 87 CO 0.00 0.00 0.00 1.96 0.64 0.00 0.00 176.34 178.94 2pcf h GLN 88 N 0.00 -0.10 -0.02 -0.41 4.20 -1.07 -3.19 115.11 114.52 2pcf h GLN 88 Ca 0.00 0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.72 2pcf h GLN 88 Cb 0.00 0.02 0.00 0.00 0.30 0.00 0.00 27.48 27.80 2pcf h GLN 88 CO 0.00 0.46 0.00 0.41 -0.67 0.00 0.00 178.83 179.03 2pcf n GLY 89 N 0.81 -0.66 0.27 3.46 0.00 -1.26 -4.05 105.19 103.75 2pcf n GLY 89 Ca -0.08 -0.26 -0.10 0.00 0.00 0.00 0.00 46.02 45.58 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 4.01 -0.75 0.00 4.61 0.00 -1.93 -3.48 119.26 121.72 2pcf h ALA 90 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2pcf h ALA 90 Cb 0.16 0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.19 2pcf h ALA 90 CO 0.00 -0.71 0.00 0.41 0.00 0.00 0.00 179.25 178.95 2pcf n GLY 91 N -0.13 0.32 3.54 0.00 0.00 -1.25 -5.11 105.19 102.56 2pcf n GLY 91 Ca -0.08 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.51 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 3.41 -0.14 1.61 0.23 -1.26 -4.91 119.30 118.24 2pcf s MET 92 Ca 0.00 -0.09 -0.10 0.00 -1.03 0.00 0.00 55.69 54.47 2pcf s MET 92 Cb 0.00 -3.94 0.04 0.00 -1.53 0.00 0.00 34.83 29.40 2pcf s MET 92 CO 0.00 -1.15 0.35 0.14 -2.03 0.00 0.00 175.02 172.33 2pcf s VAL 93 N 3.36 -0.02 0.48 5.16 -7.23 -1.26 -3.33 120.40 117.56 2pcf s VAL 93 Ca 0.30 0.06 0.05 0.00 -1.81 0.00 0.00 61.98 60.59 2pcf s VAL 93 Cb -0.12 -0.50 -0.02 0.00 0.56 0.00 0.00 36.38 36.30 2pcf s VAL 93 CO 0.23 0.03 0.17 -0.83 -0.31 0.00 0.00 175.10 174.39 2pcf s GLY 94 N 0.82 2.58 -0.11 2.32 0.00 -0.95 -4.78 107.32 107.20 2pcf s GLY 94 Ca -0.05 -1.35 -0.08 0.00 0.00 0.00 0.00 44.72 43.24 2pcf s GLY 94 CO -0.06 -2.03 0.28 -1.59 0.00 0.00 0.00 173.10 169.70 2pcf s LYS 95 N -3.98 0.29 -0.45 2.90 -2.85 -1.17 -2.35 119.74 112.13 2pcf s LYS 95 Ca 0.28 0.48 -0.22 0.00 -1.00 0.00 0.00 55.97 55.50 2pcf s LYS 95 Cb 0.02 0.04 0.03 0.00 -2.06 0.00 0.00 37.83 35.85 2pcf s LYS 95 CO 0.16 -0.10 0.75 0.08 0.10 0.00 0.00 175.35 176.34 2pcf s VAL 96 N 0.69 4.69 -1.18 1.79 1.01 -1.18 -3.61 120.40 122.60 2pcf s VAL 96 Ca -0.04 0.33 -0.05 0.00 0.00 0.00 0.00 61.98 62.22 2pcf s VAL 96 Cb -0.06 -4.30 0.23 0.00 0.00 0.00 0.00 36.38 32.26 2pcf s VAL 96 CO -0.04 -0.70 1.86 0.41 0.00 0.00 0.00 175.10 176.63 2pcf n THR 97 N 6.06 5.21 -2.67 3.92 -1.04 -0.92 -0.79 114.28 124.05 2pcf n THR 97 Ca 0.01 -5.18 -0.40 0.00 -2.04 0.00 0.00 64.05 56.45 2pcf n THR 97 Cb 0.48 -2.05 -0.06 0.00 -1.82 0.00 0.00 70.33 66.89 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 -1.88 3.91 0.00 12.58 0.11 -0.83 -2.63 120.40 131.66 2pcf s VAL 98 Ca 0.40 1.89 0.00 0.00 -2.93 0.00 0.00 61.98 61.34 2pcf s VAL 98 Cb 0.12 -4.19 0.00 0.00 -1.53 0.00 0.00 36.38 30.78 2pcf s VAL 98 CO -0.01 0.42 0.00 -0.46 -3.33 0.00 0.00 175.10 171.72