#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 3.38 -0.25 1.45 2.02 -1.26 -3.88 118.70 120.16 2pcf s GLU 2 Ca 0.00 1.10 -0.08 0.00 0.02 0.00 0.00 54.97 56.01 2pcf s GLU 2 Cb 0.00 -4.13 -0.04 0.00 0.10 0.00 0.00 34.13 30.06 2pcf s GLU 2 CO 0.00 -1.80 0.10 0.08 0.02 0.00 0.00 175.26 173.66 2pcf s VAL 3 N 6.38 4.61 -0.43 2.63 1.01 -1.04 -4.12 120.40 129.44 2pcf s VAL 3 Ca 0.69 -0.07 -0.08 0.00 0.00 0.00 0.00 61.98 62.52 2pcf s VAL 3 Cb -0.17 -3.16 0.10 0.00 0.00 0.00 0.00 36.38 33.14 2pcf s VAL 3 CO 0.32 0.32 0.28 -0.76 0.00 0.00 0.00 175.10 175.26 2pcf s LEU 4 N 1.57 5.34 0.38 3.92 1.43 0.09 -1.33 118.68 130.09 2pcf s LEU 4 Ca 0.06 -1.71 -0.27 0.00 -1.03 0.00 0.00 54.13 51.18 2pcf s LEU 4 Cb -0.15 -1.97 -0.09 0.00 0.03 0.00 0.00 46.19 44.00 2pcf s LEU 4 CO 0.05 -0.59 1.33 -0.76 0.23 0.00 0.00 176.35 176.62 2pcf s LEU 5 N 1.37 4.28 0.02 1.79 1.02 0.13 -3.79 118.68 123.50 2pcf s LEU 5 Ca 0.04 2.73 0.00 0.00 0.02 0.00 0.00 54.13 56.92 2pcf s LEU 5 Cb -0.24 -3.81 0.00 0.00 0.02 0.00 0.00 46.19 42.16 2pcf s LEU 5 CO 0.00 -0.79 0.00 0.61 0.02 0.00 0.00 176.35 176.19 2pcf n GLY 6 N 0.67 -3.18 0.00 -3.19 0.00 -1.20 -1.42 105.19 96.87 2pcf n GLY 6 Ca 0.02 -1.08 0.00 0.00 0.00 0.00 0.00 46.02 44.97 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 -0.80 0.87 0.00 -0.02 0.00 -0.32 -4.61 105.19 100.31 2pcf n GLY 7 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 5.00 0.30 0.52 -0.02 0.00 -1.26 -4.63 105.19 105.10 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 -0.19 0.00 0.00 1.61 5.75 -1.26 -5.03 116.55 117.44 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 0.20 0.03 0.00 0.00 -1.03 0.00 0.00 41.12 40.31 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 0.90 0.00 3.34 6.12 0.00 -1.26 -4.97 105.19 109.32 2pcf n GLY 10 Ca 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.56 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 6.36 -0.99 1.61 0.15 -1.26 -4.86 113.70 114.70 2pcf s SER 11 Ca 0.00 -1.92 -0.23 0.00 0.70 0.00 0.00 55.95 54.50 2pcf s SER 11 Cb 0.00 -2.25 0.05 0.00 -1.71 0.00 0.00 66.02 62.11 2pcf s SER 11 CO 0.00 -0.88 1.43 -0.76 1.20 0.00 0.00 173.24 174.23 2pcf s LEU 12 N 1.65 3.47 -0.23 3.45 1.43 -1.26 -1.17 118.68 126.01 2pcf s LEU 12 Ca 0.11 -1.36 -0.26 0.00 -1.03 0.00 0.00 54.13 51.59 2pcf s LEU 12 Cb -0.22 -2.57 0.10 0.00 0.03 0.00 0.00 46.19 43.53 2pcf s LEU 12 CO 0.00 -1.54 0.89 0.00 0.23 0.00 0.00 176.35 175.93 2pcf s ALA 13 N 5.04 -1.88 0.09 4.21 0.00 -1.26 -4.29 121.76 123.68 2pcf s ALA 13 Ca 0.45 1.82 -0.31 0.00 0.00 0.00 0.00 51.96 53.92 2pcf s ALA 13 Cb -0.01 -1.08 -0.08 0.00 0.00 0.00 0.00 23.12 21.95 2pcf s ALA 13 CO -0.08 -0.29 1.48 -0.06 0.00 0.00 0.00 175.76 176.81 2pcf s PHE 14 N -0.08 2.97 -0.29 0.00 0.40 -1.26 -3.64 117.98 116.08 2pcf s PHE 14 Ca -0.00 0.74 0.00 0.00 -0.60 0.00 0.00 56.93 57.07 2pcf s PHE 14 Cb -0.04 -3.78 0.09 0.00 0.51 0.00 0.00 43.02 39.80 2pcf s PHE 14 CO -0.01 -2.89 0.06 -0.51 0.70 0.00 0.00 175.22 172.57 2pcf s LEU 15 N 1.67 2.62 0.84 -0.37 1.02 -1.25 -1.46 118.68 121.75 2pcf s LEU 15 Ca 0.67 -1.56 -0.13 0.00 0.02 0.00 0.00 54.13 53.13 2pcf s LEU 15 Cb -0.38 -1.02 0.10 0.00 0.02 0.00 0.00 46.19 44.91 2pcf s LEU 15 CO 0.30 -0.37 1.20 -2.16 0.02 0.00 0.00 176.35 175.34 2pcf s PRO 16 N 1.48 1.72 -0.10 1.29 0.04 -1.26 -0.73 135.00 137.45 2pcf s PRO 16 Ca 0.06 0.04 0.16 0.00 0.04 0.00 0.00 61.00 61.30 2pcf s PRO 16 Cb -0.18 -1.93 0.55 0.00 0.04 0.00 0.00 34.50 32.99 2pcf s PRO 16 CO -0.17 -1.75 1.47 0.41 0.04 0.00 0.00 177.00 177.00 2pcf n GLY 17 N -3.33 3.08 3.16 0.56 0.00 -0.53 -4.83 105.19 103.30 2pcf n GLY 17 Ca 0.09 -0.76 0.05 0.00 0.00 0.00 0.00 46.02 45.40 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 -1.20 -0.75 0.28 1.61 2.15 -1.26 -3.15 116.67 114.36 2pcf s ASP 18 Ca 0.41 0.50 0.02 0.00 0.43 0.00 0.00 52.55 53.91 2pcf s ASP 18 Cb 0.27 1.64 -0.05 0.00 -0.30 0.00 0.00 42.92 44.48 2pcf s ASP 18 CO 0.18 -0.14 0.09 0.72 -0.17 0.00 0.00 175.17 175.85 2pcf s PHE 19 N 2.90 1.69 -0.08 -5.34 -0.12 -1.23 -5.01 117.98 110.79 2pcf s PHE 19 Ca 0.06 -1.11 0.04 0.00 -0.05 0.00 0.00 56.93 55.86 2pcf s PHE 19 Cb -0.12 -1.04 0.00 0.00 -0.63 0.00 0.00 43.02 41.24 2pcf s PHE 19 CO -0.14 -0.22 -0.21 -1.12 -0.05 0.00 0.00 175.22 173.48 2pcf s SER 20 N -3.38 2.68 0.00 1.98 0.01 -1.26 -2.16 113.70 111.57 2pcf s SER 20 Ca 0.37 -0.47 0.00 0.00 1.31 0.00 0.00 55.95 57.16 2pcf s SER 20 Cb 0.08 -1.14 0.00 0.00 0.21 0.00 0.00 66.02 65.17 2pcf s SER 20 CO 0.14 0.14 0.00 1.33 0.41 0.00 0.00 173.24 175.26 2pcf n VAL 21 N 3.51 0.00 -4.29 3.43 0.24 -1.06 -4.93 118.33 115.23 2pcf n VAL 21 Ca -0.20 0.00 -0.20 0.00 -2.04 0.00 0.00 64.34 61.91 2pcf n VAL 21 Cb 0.53 0.00 -0.08 0.00 -1.47 0.00 0.00 33.84 32.81 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 -2.00 1.90 -0.39 2.33 0.00 -1.26 -1.74 121.76 120.60 2pcf s ALA 22 Ca 0.00 -2.02 -0.28 0.00 0.00 0.00 0.00 51.96 49.66 2pcf s ALA 22 Cb 0.00 1.44 -0.00 0.00 0.00 0.00 0.00 23.12 24.56 2pcf s ALA 22 CO 0.00 -0.64 1.59 0.45 0.00 0.00 0.00 175.76 177.15 2pcf s SER 23 N -3.38 6.11 0.00 0.00 0.15 -1.26 -2.53 113.70 112.79 2pcf s SER 23 Ca 0.40 0.98 0.00 0.00 0.70 0.00 0.00 55.95 58.03 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 -1.59 0.00 0.61 1.20 0.00 0.00 173.24 173.73 2pcf n GLY 24 N 5.25 1.52 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 1.83 -0.05 1.61 0.41 -1.05 -5.06 118.70 116.39 2pcf s GLU 25 Ca 0.00 -0.11 0.03 0.00 -0.41 0.00 0.00 54.97 54.49 2pcf s GLU 25 Cb 0.00 -2.01 0.00 0.00 -1.78 0.00 0.00 34.13 30.34 2pcf s GLU 25 CO 0.00 -1.61 -0.14 -1.21 -0.49 0.00 0.00 175.26 171.81 2pcf s GLU 26 N -5.52 1.62 0.15 1.61 2.02 -1.26 -4.41 118.70 112.91 2pcf s GLU 26 Ca 0.63 -0.50 -0.04 0.00 0.02 0.00 0.00 54.97 55.08 2pcf s GLU 26 Cb -0.10 -1.39 -0.05 0.00 0.10 0.00 0.00 34.13 32.69 2pcf s GLU 26 CO 0.48 0.16 0.37 0.42 0.02 0.00 0.00 175.26 176.71 2pcf s ILE 27 N 0.24 5.18 0.03 -1.63 1.09 -1.20 -4.92 121.20 119.99 2pcf s ILE 27 Ca -0.07 -0.05 0.03 0.00 -1.10 0.00 0.00 60.65 59.46 2pcf s ILE 27 Cb -0.12 -3.64 -0.02 0.00 -1.06 0.00 0.00 42.46 37.62 2pcf s ILE 27 CO 0.02 0.01 -0.09 -0.69 -0.10 0.00 0.00 174.94 174.09 2pcf s VAL 28 N -1.69 0.67 -0.50 2.92 1.01 -1.25 -2.70 120.40 118.85 2pcf s VAL 28 Ca 0.40 -0.84 0.04 0.00 0.00 0.00 0.00 61.98 61.59 2pcf s VAL 28 Cb -0.12 -0.65 0.17 0.00 0.00 0.00 0.00 36.38 35.78 2pcf s VAL 28 CO 0.26 -0.15 0.39 -0.36 0.00 0.00 0.00 175.10 175.24 2pcf s PHE 29 N -0.91 1.86 -0.15 5.22 0.08 -0.98 -2.48 117.98 120.62 2pcf s PHE 29 Ca -0.04 -2.64 -0.28 0.00 0.12 0.00 0.00 56.93 54.09 2pcf s PHE 29 Cb -0.07 -1.48 -0.01 0.00 -0.57 0.00 0.00 43.02 40.89 2pcf s PHE 29 CO 0.01 -0.74 0.97 0.15 -0.10 0.00 0.00 175.22 175.50 2pcf s LYS 30 N -0.40 4.36 -0.18 0.44 1.02 -0.44 -2.90 119.74 121.62 2pcf s LYS 30 Ca 0.30 1.29 -0.16 0.00 0.02 0.00 0.00 55.97 57.43 2pcf s LYS 30 Cb 0.01 -3.57 -0.04 0.00 -0.52 0.00 0.00 37.83 33.71 2pcf s LYS 30 CO -0.19 -0.38 0.39 0.54 -0.92 0.00 0.00 175.35 174.79 2pcf s ASN 31 N 1.13 6.46 -0.09 2.83 4.22 -1.19 0.19 114.94 128.50 2pcf s ASN 31 Ca 0.45 0.54 -0.10 0.00 -2.14 0.00 0.00 52.86 51.62 2pcf s ASN 31 Cb -0.17 -2.23 -0.03 0.00 1.28 0.00 0.00 41.25 40.10 2pcf s ASN 31 CO 0.14 -0.03 -0.19 -3.20 -2.04 0.00 0.00 177.10 171.78 2pcf n ASN 32 N 4.21 1.15 -4.08 3.54 5.15 -0.51 -3.47 115.26 121.25 2pcf n ASN 32 Ca -0.09 0.19 -0.15 0.00 -0.60 0.00 0.00 54.58 53.93 2pcf n ASN 32 Cb 0.51 -0.59 -0.12 0.00 -0.53 0.00 0.00 39.78 39.05 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 -2.80 0.73 0.00 5.20 0.00 -1.26 -4.67 121.76 118.96 2pcf s ALA 33 Ca -0.16 -0.74 0.00 0.00 0.00 0.00 0.00 51.96 51.07 2pcf s ALA 33 Cb 0.02 -0.03 0.00 0.00 0.00 0.00 0.00 23.12 23.11 2pcf s ALA 33 CO 0.23 0.06 0.00 0.41 0.00 0.00 0.00 175.76 176.46 2pcf n GLY 34 N 1.70 0.87 3.59 0.00 0.00 -1.26 -4.12 105.19 105.96 2pcf n GLY 34 Ca -0.21 -0.13 -0.29 0.00 0.00 0.00 0.00 46.02 45.40 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 1.62 0.36 1.61 -0.12 -1.26 -4.55 117.98 113.64 2pcf s PHE 35 Ca 0.00 1.35 -0.25 0.00 -0.05 0.00 0.00 56.93 57.98 2pcf s PHE 35 Cb 0.00 -3.18 -0.10 0.00 -0.63 0.00 0.00 43.02 39.11 2pcf s PHE 35 CO 0.00 -3.30 0.99 -1.25 -0.05 0.00 0.00 175.22 171.60 2pcf s PRO 36 N -4.62 4.40 -0.29 1.99 0.04 -1.26 -5.02 135.00 130.24 2pcf s PRO 36 Ca 0.67 1.39 0.08 0.00 0.04 0.00 0.00 61.00 63.19 2pcf s PRO 36 Cb -0.23 -2.66 0.47 0.00 0.04 0.00 0.00 34.50 32.12 2pcf s PRO 36 CO 0.61 0.10 1.38 0.72 0.04 0.00 0.00 177.00 179.84 2pcf n HIS 37 N 0.24 1.27 -1.66 0.56 8.25 -0.81 -4.59 115.22 118.48 2pcf n HIS 37 Ca 0.03 -1.80 -0.44 0.00 -0.26 0.00 0.00 57.72 55.25 2pcf n HIS 37 Cb 0.50 -0.45 -0.04 0.00 1.12 0.00 0.00 29.99 31.12 2pcf n HIS 37 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 2pcf n ASN 38 N -1.03 3.87 -4.92 0.41 6.94 -1.26 -4.77 115.26 114.50 2pcf n ASN 38 Ca 0.33 0.88 -0.26 0.00 -0.02 0.00 0.00 54.58 55.51 2pcf n ASN 38 Cb 0.91 -1.47 -0.02 0.00 -2.36 0.00 0.00 39.78 36.83 2pcf n ASN 38 CO 0.00 0.00 0.00 0.68 -1.03 0.00 0.00 177.26 176.91 2pcf s VAL 39 N 4.58 5.07 -0.04 3.53 -7.23 -1.26 -1.36 120.40 123.69 2pcf s VAL 39 Ca 0.91 -0.20 -0.02 0.00 -1.81 0.00 0.00 61.98 60.86 2pcf s VAL 39 Cb -0.52 -3.80 0.03 0.00 0.56 0.00 0.00 36.38 32.65 2pcf s VAL 39 CO 0.45 -0.44 0.06 0.68 -0.31 0.00 0.00 175.10 175.54 2pcf s VAL 40 N -2.20 -0.09 -0.14 1.32 -7.23 -0.95 -2.89 120.40 108.22 2pcf s VAL 40 Ca 0.42 0.41 -0.29 0.00 -1.81 0.00 0.00 61.98 60.71 2pcf s VAL 40 Cb -0.10 -0.17 -0.04 0.00 0.56 0.00 0.00 36.38 36.63 2pcf s VAL 40 CO 0.33 0.18 1.71 -0.36 -0.31 0.00 0.00 175.10 176.65 2pcf s PHE 41 N 2.16 1.92 0.40 2.82 0.40 -1.25 -3.14 117.98 121.28 2pcf s PHE 41 Ca 0.05 0.34 -0.20 0.00 -0.60 0.00 0.00 56.93 56.52 2pcf s PHE 41 Cb -0.12 -3.97 -0.10 0.00 0.51 0.00 0.00 43.02 39.33 2pcf s PHE 41 CO -0.03 -3.56 0.90 0.34 0.70 0.00 0.00 175.22 173.57 2pcf s ASP 42 N 4.27 6.92 0.00 1.36 -1.08 -0.97 -4.71 116.67 122.46 2pcf s ASP 42 Ca 0.76 1.60 0.21 0.00 -0.52 0.00 0.00 52.55 54.60 2pcf s ASP 42 Cb -0.30 -2.50 0.52 0.00 -1.46 0.00 0.00 42.92 39.18 2pcf s ASP 42 CO 0.31 -0.30 1.45 1.21 0.52 0.00 0.00 175.17 178.35 2pcf n GLU 43 N -0.49 2.33 0.23 4.34 2.13 -1.26 -4.10 120.64 123.82 2pcf n GLU 43 Ca 0.06 -2.03 0.14 0.00 0.66 0.00 0.00 57.16 55.99 2pcf n GLU 43 Cb 0.54 -1.48 0.36 0.00 0.27 0.00 0.00 31.44 31.13 2pcf n GLU 43 CO 0.00 0.00 0.00 0.22 -0.41 0.00 0.00 177.13 176.94 2pcf h ASP 44 N 3.77 0.00 -0.48 4.31 1.82 -1.94 -3.27 116.42 120.64 2pcf h ASP 44 Ca 0.00 0.00 -0.33 0.00 -0.39 0.00 0.00 57.03 56.31 2pcf h ASP 44 Cb 0.84 0.00 -0.38 0.00 0.68 0.00 0.00 39.33 40.47 2pcf h ASP 44 CO 0.00 0.00 -0.96 -0.62 -1.61 0.00 0.00 179.24 176.05 2pcf n GLU 45 N -3.05 2.24 -3.84 0.28 1.02 -1.26 -5.07 120.64 110.97 2pcf n GLU 45 Ca 0.03 -3.60 -0.35 0.00 -0.02 0.00 0.00 57.16 53.22 2pcf n GLU 45 Cb 0.44 -1.71 -0.05 0.00 -0.02 0.00 0.00 31.44 30.10 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 -3.71 5.40 -0.04 -3.67 1.01 -1.24 -4.26 121.20 114.68 2pcf s ILE 46 Ca 0.37 0.07 -0.05 0.00 0.00 0.00 0.00 60.65 61.04 2pcf s ILE 46 Cb 0.36 -3.52 -0.03 0.00 0.01 0.00 0.00 42.46 39.29 2pcf s ILE 46 CO -0.02 0.42 0.27 1.55 0.00 0.00 0.00 174.94 177.15 2pcf h PRO 47 N 4.17 -0.16 0.00 2.79 0.13 -1.93 -3.47 132.00 133.54 2pcf h PRO 47 Ca -0.51 0.01 -0.29 0.00 -0.87 0.00 0.00 66.00 64.34 2pcf h PRO 47 Cb 1.20 0.04 0.10 0.00 0.13 0.00 0.00 31.00 32.47 2pcf h PRO 47 CO 0.65 -0.11 0.22 0.45 -0.23 0.00 0.00 178.00 178.99 2pcf n SER 48 N -3.78 0.29 0.00 1.44 2.88 -1.26 -5.08 113.62 108.11 2pcf n SER 48 Ca -0.02 -1.44 0.00 0.00 -1.33 0.00 0.00 58.87 56.08 2pcf n SER 48 Cb 0.06 -0.60 0.00 0.00 -0.75 0.00 0.00 64.21 62.92 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 -0.55 1.60 1.37 0.46 0.00 -1.26 -5.04 105.19 101.76 2pcf n GLY 49 Ca 0.11 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.30 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 -0.85 -3.67 1.61 3.14 -1.26 -4.92 118.33 112.38 2pcf n VAL 50 Ca 0.00 0.88 -0.20 0.00 -2.96 0.00 0.00 64.34 62.06 2pcf n VAL 50 Cb 0.00 -1.34 -0.01 0.00 -1.06 0.00 0.00 33.84 31.43 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 -7.09 6.14 0.29 6.55 2.15 -1.26 -5.00 116.67 118.44 2pcf s ASP 51 Ca 0.00 -0.02 0.24 0.00 0.43 0.00 0.00 52.55 53.20 2pcf s ASP 51 Cb 0.00 -1.56 0.51 0.00 -0.30 0.00 0.00 42.92 41.57 2pcf s ASP 51 CO 0.00 -0.27 1.60 0.00 -0.17 0.00 0.00 175.17 176.33 2pcf h ALA 52 N 0.99 0.91 0.00 3.66 0.00 -1.91 -3.16 119.26 119.74 2pcf h ALA 52 Ca -0.49 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.42 2pcf h ALA 52 Cb 1.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.03 2pcf h ALA 52 CO 0.57 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.82 2pcf n ALA 53 N -1.94 2.34 -0.06 0.00 0.00 -1.26 -0.84 120.51 118.75 2pcf n ALA 53 Ca 0.04 -0.14 -0.01 0.00 0.00 0.00 0.00 53.44 53.34 2pcf n ALA 53 Cb 0.48 -1.40 -0.15 0.00 0.00 0.00 0.00 19.45 18.38 2pcf n ALA 53 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2pcf n LYS 54 N -1.11 0.79 -0.01 0.00 3.00 -1.19 -4.47 118.16 115.16 2pcf n LYS 54 Ca 0.16 -0.09 0.01 0.00 -0.00 0.00 0.00 58.31 58.39 2pcf n LYS 54 Cb 0.13 -1.48 0.01 0.00 0.00 0.00 0.00 35.03 33.69 2pcf n LYS 54 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.40 177.84 2pcf n ILE 55 N -2.48 0.67 -4.07 3.15 -5.35 -1.14 -5.03 119.36 105.10 2pcf n ILE 55 Ca -0.19 -0.83 -0.25 0.00 -0.27 0.00 0.00 62.75 61.21 2pcf n ILE 55 Cb 0.85 0.67 -0.06 0.00 -1.74 0.00 0.00 39.64 39.36 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 -0.70 4.50 0.31 7.28 0.01 -0.02 -3.87 113.70 121.21 2pcf s SER 56 Ca 0.02 -1.09 -0.10 0.00 1.31 0.00 0.00 55.95 56.09 2pcf s SER 56 Cb 0.01 -0.36 -0.07 0.00 0.21 0.00 0.00 66.02 65.81 2pcf s SER 56 CO 0.02 -0.62 0.65 -0.04 0.41 0.00 0.00 173.24 173.65 2pcf s MET 57 N -3.96 3.81 0.00 12.44 -1.94 -1.14 -4.88 119.30 123.63 2pcf s MET 57 Ca 0.40 0.36 0.00 0.00 -1.71 0.00 0.00 55.69 54.74 2pcf s MET 57 Cb 0.02 -2.53 0.00 0.00 2.01 0.00 0.00 34.83 34.33 2pcf s MET 57 CO 0.22 0.17 0.00 0.45 -0.01 0.00 0.00 175.02 175.85 2pcf n SER 58 N -0.64 0.00 -0.10 3.03 2.88 -1.26 -4.94 113.62 112.58 2pcf n SER 58 Ca 0.01 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.44 2pcf n SER 58 Cb 0.53 0.00 -0.13 0.00 -0.75 0.00 0.00 64.21 63.86 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 0.00 0.85 0.14 -1.46 0.28 -1.26 -4.40 120.64 114.79 2pcf n GLU 59 Ca 0.00 0.04 -0.01 0.00 -0.16 0.00 0.00 57.16 57.03 2pcf n GLU 59 Cb 0.00 -1.47 0.16 0.00 1.43 0.00 0.00 31.44 31.56 2pcf n GLU 59 CO 0.00 0.00 0.00 0.93 -0.16 0.00 0.00 177.13 177.90 2pcf h GLU 60 N 0.00 0.00 -4.11 3.44 3.07 -2.05 -3.37 114.58 111.56 2pcf h GLU 60 Ca -0.51 0.00 -0.77 0.00 -0.50 0.00 0.00 59.36 57.58 2pcf h GLU 60 Cb 2.02 0.00 -0.24 0.00 -0.84 0.00 0.00 28.75 29.69 2pcf h GLU 60 CO -0.01 0.62 0.43 -0.51 -1.40 0.00 0.00 179.01 178.14 2pcf s ASP 61 N -6.81 6.87 -0.08 1.42 1.11 -1.26 -5.02 116.67 112.91 2pcf s ASP 61 Ca -0.01 -2.76 -0.00 0.00 0.18 0.00 0.00 52.55 49.96 2pcf s ASP 61 Cb 0.12 -2.27 -0.03 0.00 1.07 0.00 0.00 42.92 41.82 2pcf s ASP 61 CO 0.76 -0.64 -0.04 -0.76 1.18 0.00 0.00 175.17 175.67 2pcf s LEU 62 N 0.54 3.33 -1.08 1.23 1.43 -1.26 -4.43 118.68 118.43 2pcf s LEU 62 Ca 0.26 0.04 -0.16 0.00 -1.03 0.00 0.00 54.13 53.24 2pcf s LEU 62 Cb -0.08 -1.74 0.15 0.00 0.03 0.00 0.00 46.19 44.55 2pcf s LEU 62 CO -0.08 0.36 1.29 -0.76 0.23 0.00 0.00 176.35 177.40 2pcf s LEU 63 N -0.81 5.08 0.00 1.79 1.02 -1.26 -4.67 118.68 119.83 2pcf s LEU 63 Ca 0.12 -2.59 0.10 0.00 0.02 0.00 0.00 54.13 51.78 2pcf s LEU 63 Cb -0.11 -2.40 0.00 0.00 0.02 0.00 0.00 46.19 43.70 2pcf s LEU 63 CO 0.02 -0.88 0.63 -3.20 0.02 0.00 0.00 176.35 172.94 2pcf n ASN 64 N 6.00 1.22 -4.87 2.29 4.05 -1.26 -1.92 115.26 120.77 2pcf n ASN 64 Ca 0.31 -1.11 -0.33 0.00 0.45 0.00 0.00 54.58 53.90 2pcf n ASN 64 Cb 0.46 0.45 -0.05 0.00 1.23 0.00 0.00 39.78 41.86 2pcf n ASN 64 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2pcf s ALA 65 N -1.30 3.85 -1.27 5.20 0.00 -1.26 -4.83 121.76 122.15 2pcf s ALA 65 Ca 0.08 -0.81 -0.19 0.00 0.00 0.00 0.00 51.96 51.04 2pcf s ALA 65 Cb 0.08 -1.78 0.02 0.00 0.00 0.00 0.00 23.12 21.44 2pcf s ALA 65 CO 0.24 0.75 1.85 -0.35 0.00 0.00 0.00 175.76 178.24 2pcf n PRO 66 N 0.88 2.70 0.00 0.00 -0.04 -1.26 -3.00 135.00 134.29 2pcf n PRO 66 Ca -0.10 -2.95 0.00 0.00 -0.04 0.00 0.00 63.50 60.41 2pcf n PRO 66 Cb 0.52 -3.51 0.00 0.00 -0.04 0.00 0.00 33.50 30.48 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 5.31 0.20 3.77 0.55 0.00 -1.23 -5.01 105.19 108.78 2pcf n GLY 67 Ca 0.48 0.00 -0.37 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 3.56 0.03 1.61 2.56 -1.16 -4.88 118.70 120.42 2pcf s GLU 68 Ca 0.00 1.82 0.02 0.00 0.00 0.00 0.00 54.97 56.81 2pcf s GLU 68 Cb 0.00 -2.29 -0.02 0.00 2.00 0.00 0.00 34.13 33.82 2pcf s GLU 68 CO 0.00 -0.73 -0.07 0.95 -0.56 0.00 0.00 175.26 174.86 2pcf s THR 69 N -1.55 0.47 -0.34 -1.70 -4.23 -1.26 -3.20 115.64 103.83 2pcf s THR 69 Ca 0.67 -0.83 -0.06 0.00 -1.18 0.00 0.00 61.69 60.29 2pcf s THR 69 Cb -0.30 -0.51 0.05 0.00 1.34 0.00 0.00 72.50 73.08 2pcf s THR 69 CO 0.35 -0.26 0.10 -0.47 -0.54 0.00 0.00 174.62 173.81 2pcf s TYR 70 N -1.05 3.27 -0.17 3.99 5.04 -1.14 -4.85 117.35 122.45 2pcf s TYR 70 Ca -0.07 -1.53 -0.09 0.00 -2.44 0.00 0.00 57.07 52.94 2pcf s TYR 70 Cb -0.08 -2.33 -0.05 0.00 0.35 0.00 0.00 41.96 39.85 2pcf s TYR 70 CO 0.00 -0.76 0.13 0.15 -1.34 0.00 0.00 175.55 173.73 2pcf s LYS 71 N 1.37 3.89 -0.19 4.97 3.01 -1.26 -2.32 119.74 129.21 2pcf s LYS 71 Ca -0.01 -0.19 0.01 0.00 -1.01 0.00 0.00 55.97 54.76 2pcf s LYS 71 Cb -0.20 -3.32 0.03 0.00 -1.01 0.00 0.00 37.83 33.34 2pcf s LYS 71 CO 0.02 0.48 -0.13 0.08 0.51 0.00 0.00 175.35 176.31 2pcf s VAL 72 N -0.18 1.76 -0.62 3.17 1.01 -1.10 -4.94 120.40 119.51 2pcf s VAL 72 Ca 0.10 -0.97 -0.23 0.00 0.00 0.00 0.00 61.98 60.89 2pcf s VAL 72 Cb -0.11 -1.74 0.06 0.00 0.00 0.00 0.00 36.38 34.58 2pcf s VAL 72 CO 0.00 0.30 0.96 -0.89 0.00 0.00 0.00 175.10 175.47 2pcf s THR 73 N 1.37 4.33 -0.06 3.92 2.01 -1.26 -3.22 115.64 122.73 2pcf s THR 73 Ca 0.01 -0.07 -0.05 0.00 0.31 0.00 0.00 61.69 61.89 2pcf s THR 73 Cb -0.15 -4.63 -0.04 0.00 0.01 0.00 0.00 72.50 67.69 2pcf s THR 73 CO -0.09 -1.32 0.17 -0.76 -0.69 0.00 0.00 174.62 171.92 2pcf s LEU 74 N 4.07 4.38 0.00 4.42 1.02 -1.26 -4.98 118.68 126.33 2pcf s LEU 74 Ca 0.26 0.43 0.00 0.00 0.02 0.00 0.00 54.13 54.84 2pcf s LEU 74 Cb -0.15 -2.35 0.00 0.00 0.02 0.00 0.00 46.19 43.71 2pcf s LEU 74 CO 0.14 0.34 0.00 0.35 0.02 0.00 0.00 176.35 177.20 2pcf n THR 75 N 1.47 0.00 -1.94 5.49 -2.24 -1.26 -3.81 114.28 112.00 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 -0.43 0.04 0.00 -2.10 0.00 0.00 70.33 68.37 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 -1.71 2.93 -0.23 -0.78 8.01 -1.26 -4.55 118.70 121.10 2pcf s GLU 76 Ca 0.00 1.62 -0.11 0.00 0.01 0.00 0.00 54.97 56.48 2pcf s GLU 76 Cb 0.00 -1.95 -0.05 0.00 -4.31 0.00 0.00 34.13 27.82 2pcf s GLU 76 CO 0.00 -1.19 0.19 0.15 0.01 0.00 0.00 175.26 174.43 2pcf s LYS 77 N -3.62 4.09 0.00 1.61 1.02 -1.26 -4.73 119.74 116.84 2pcf s LYS 77 Ca 0.72 -0.20 0.00 0.00 0.02 0.00 0.00 55.97 56.51 2pcf s LYS 77 Cb -0.25 -3.54 0.00 0.00 -0.52 0.00 0.00 37.83 33.52 2pcf s LYS 77 CO 0.35 0.05 0.00 0.41 -0.92 0.00 0.00 175.35 175.24 2pcf n GLY 78 N 4.22 -1.01 3.16 -3.33 0.00 0.10 -4.83 105.19 103.51 2pcf n GLY 78 Ca -0.14 -1.10 -0.33 0.00 0.00 0.00 0.00 46.02 44.45 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 -3.00 2.34 0.62 2.61 2.01 -1.26 -1.74 115.64 117.23 2pcf s THR 79 Ca 0.00 -0.84 0.06 0.00 0.31 0.00 0.00 61.69 61.21 2pcf s THR 79 Cb 0.00 -2.00 0.10 0.00 0.01 0.00 0.00 72.50 70.61 2pcf s THR 79 CO 0.00 0.52 0.86 -0.31 -0.69 0.00 0.00 174.62 175.00 2pcf s TYR 80 N 1.33 1.49 -0.39 4.92 1.51 -0.35 -4.25 117.35 121.60 2pcf s TYR 80 Ca 0.05 -0.56 0.03 0.00 -1.01 0.00 0.00 57.07 55.58 2pcf s TYR 80 Cb -0.13 -2.50 0.16 0.00 -0.11 0.00 0.00 41.96 39.38 2pcf s TYR 80 CO -0.11 -1.35 0.39 0.21 -1.11 0.00 0.00 175.55 173.58 2pcf s LYS 81 N -4.83 0.70 0.38 -0.62 2.36 -1.26 -3.22 119.74 113.25 2pcf s LYS 81 Ca 0.63 -1.05 0.00 0.00 -2.55 0.00 0.00 55.97 53.00 2pcf s LYS 81 Cb -0.06 -0.79 -0.03 0.00 -1.05 0.00 0.00 37.83 35.91 2pcf s LYS 81 CO 0.41 -1.23 0.60 -0.59 1.55 0.00 0.00 175.35 176.08 2pcf s PHE 82 N 1.21 3.43 0.02 4.03 -0.12 -0.93 -2.29 117.98 123.32 2pcf s PHE 82 Ca 0.20 0.34 -0.22 0.00 -0.05 0.00 0.00 56.93 57.20 2pcf s PHE 82 Cb -0.13 -2.03 0.05 0.00 -0.63 0.00 0.00 43.02 40.28 2pcf s PHE 82 CO -0.04 -0.03 0.49 1.52 -0.05 0.00 0.00 175.22 177.11 2pcf s TYR 83 N -2.41 -0.39 -0.17 3.49 1.13 -1.19 -2.14 117.35 115.67 2pcf s TYR 83 Ca 0.43 0.51 -0.29 0.00 -1.41 0.00 0.00 57.07 56.31 2pcf s TYR 83 Cb -0.10 0.28 -0.05 0.00 -1.10 0.00 0.00 41.96 41.00 2pcf s TYR 83 CO 0.37 -0.58 1.91 0.00 -2.51 0.00 0.00 175.55 174.74 2pcf h SER 85 N 12.29 -1.15 0.00 0.00 0.87 -1.52 -2.29 113.55 121.74 2pcf h SER 85 Ca -0.40 0.13 -0.59 0.00 -1.23 0.00 0.00 61.79 59.70 2pcf h SER 85 Cb 1.20 0.44 0.02 0.00 -0.44 0.00 0.00 62.40 63.62 2pcf h SER 85 CO 0.98 -0.37 3.28 -0.81 -0.53 0.00 0.00 176.83 179.38 2pcf n PRO 86 N -4.55 2.94 0.00 2.24 -0.04 -1.26 -3.04 135.00 131.29 2pcf n PRO 86 Ca -0.05 -2.01 0.00 0.00 -0.04 0.00 0.00 63.50 61.40 2pcf n PRO 86 Cb 0.28 -2.77 0.00 0.00 -0.04 0.00 0.00 33.50 30.96 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 4.41 0.00 0.22 0.54 8.25 -1.07 -4.93 115.22 122.64 2pcf n HIS 87 Ca 0.63 0.00 0.09 0.00 -0.26 0.00 0.00 57.72 58.18 2pcf n HIS 87 Cb 0.24 0.00 0.46 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 0.00 0.00 -0.41 -0.00 -1.33 -2.48 115.11 110.89 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 0.24 -0.91 0.41 -0.00 0.00 0.00 178.83 178.57 2pcf n GLY 89 N 0.10 -1.20 0.00 0.06 0.00 -1.26 -4.47 105.19 98.42 2pcf n GLY 89 Ca -0.00 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.61 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 -1.72 -0.22 0.00 4.61 0.00 -0.94 -4.98 120.51 117.26 2pcf n ALA 90 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 2pcf n ALA 90 Cb 0.40 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.85 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 0.55 0.00 2.85 0.00 0.00 -1.21 -5.13 105.19 102.24 2pcf n GLY 91 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 1.07 0.03 1.61 0.23 -1.25 -4.80 119.30 116.19 2pcf s MET 92 Ca 0.00 -1.22 -0.06 0.00 -1.03 0.00 0.00 55.69 53.38 2pcf s MET 92 Cb 0.00 -2.42 -0.01 0.00 -1.53 0.00 0.00 34.83 30.87 2pcf s MET 92 CO 0.00 -0.88 0.10 0.14 -2.03 0.00 0.00 175.02 172.35 2pcf s VAL 93 N 1.41 0.12 0.34 5.16 -7.23 -1.26 -3.11 120.40 115.82 2pcf s VAL 93 Ca 0.06 -0.97 0.04 0.00 -1.81 0.00 0.00 61.98 59.31 2pcf s VAL 93 Cb -0.18 -0.73 -0.03 0.00 0.56 0.00 0.00 36.38 36.00 2pcf s VAL 93 CO -0.16 -0.53 0.17 -0.83 -0.31 0.00 0.00 175.10 173.43 2pcf s GLY 94 N -1.88 2.30 -0.11 2.32 0.00 -0.91 -4.66 107.32 104.37 2pcf s GLY 94 Ca -0.08 -1.65 -0.09 0.00 0.00 0.00 0.00 44.72 42.90 2pcf s GLY 94 CO -0.03 -1.65 0.29 -1.59 0.00 0.00 0.00 173.10 170.12 2pcf s LYS 95 N -3.71 0.32 -0.46 2.90 -2.85 -1.19 -2.18 119.74 112.57 2pcf s LYS 95 Ca 0.33 0.44 -0.20 0.00 -1.00 0.00 0.00 55.97 55.54 2pcf s LYS 95 Cb 0.04 0.12 0.03 0.00 -2.06 0.00 0.00 37.83 35.96 2pcf s LYS 95 CO 0.18 -0.06 0.61 0.08 0.10 0.00 0.00 175.35 176.26 2pcf s VAL 96 N 0.37 4.88 -1.23 1.79 1.01 -1.20 -3.55 120.40 122.47 2pcf s VAL 96 Ca -0.02 -0.14 -0.07 0.00 0.00 0.00 0.00 61.98 61.76 2pcf s VAL 96 Cb -0.03 -4.21 0.19 0.00 0.00 0.00 0.00 36.38 32.33 2pcf s VAL 96 CO -0.02 -0.64 1.91 0.41 0.00 0.00 0.00 175.10 176.76 2pcf n THR 97 N 5.72 4.85 -2.69 3.92 -1.04 -0.92 -1.21 114.28 122.91 2pcf n THR 97 Ca -0.04 -4.79 -0.40 0.00 -2.04 0.00 0.00 64.05 56.78 2pcf n THR 97 Cb 0.47 -2.19 -0.06 0.00 -1.82 0.00 0.00 70.33 66.73 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 -0.88 3.96 0.00 12.58 0.11 -0.71 -2.55 120.40 132.91 2pcf s VAL 98 Ca 0.41 1.95 0.00 0.00 -2.93 0.00 0.00 61.98 61.41 2pcf s VAL 98 Cb 0.11 -4.24 0.00 0.00 -1.53 0.00 0.00 36.38 30.72 2pcf s VAL 98 CO -0.00 0.46 0.00 -0.46 -3.33 0.00 0.00 175.10 171.76