#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 3.32 -0.22 1.45 2.02 -1.26 -3.87 118.70 120.13 2pcf s GLU 2 Ca 0.00 0.97 -0.09 0.00 0.02 0.00 0.00 54.97 55.87 2pcf s GLU 2 Cb 0.00 -4.15 -0.04 0.00 0.10 0.00 0.00 34.13 30.04 2pcf s GLU 2 CO 0.00 -1.88 0.11 0.08 0.02 0.00 0.00 175.26 173.59 2pcf s VAL 3 N 6.49 4.92 -0.39 2.63 1.01 -1.04 -4.18 120.40 129.84 2pcf s VAL 3 Ca 0.66 0.03 -0.05 0.00 0.00 0.00 0.00 61.98 62.62 2pcf s VAL 3 Cb -0.16 -3.28 0.09 0.00 0.00 0.00 0.00 36.38 33.04 2pcf s VAL 3 CO 0.30 0.38 0.19 -0.76 0.00 0.00 0.00 175.10 175.20 2pcf s LEU 4 N 0.99 4.99 0.32 3.92 1.43 -0.14 -1.36 118.68 128.83 2pcf s LEU 4 Ca 0.06 -1.73 -0.29 0.00 -1.03 0.00 0.00 54.13 51.13 2pcf s LEU 4 Cb -0.14 -1.86 -0.10 0.00 0.03 0.00 0.00 46.19 44.12 2pcf s LEU 4 CO 0.03 -0.49 1.36 -0.76 0.23 0.00 0.00 176.35 176.72 2pcf s LEU 5 N 1.25 4.40 0.00 1.79 1.02 0.23 -3.75 118.68 123.62 2pcf s LEU 5 Ca 0.04 2.74 0.00 0.00 0.02 0.00 0.00 54.13 56.93 2pcf s LEU 5 Cb -0.22 -3.65 0.00 0.00 0.02 0.00 0.00 46.19 42.34 2pcf s LEU 5 CO -0.02 -0.62 0.00 0.61 0.02 0.00 0.00 176.35 176.34 2pcf n GLY 6 N 1.00 -2.91 0.00 -3.19 0.00 -1.21 -1.69 105.19 97.19 2pcf n GLY 6 Ca 0.01 -1.12 0.00 0.00 0.00 0.00 0.00 46.02 44.91 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 -0.73 1.04 0.00 -0.02 0.00 -0.42 -4.65 105.19 100.41 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 -0.01 0.28 -0.02 0.00 -1.26 -4.64 105.19 104.54 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 0.24 0.01 0.00 0.00 -1.03 0.00 0.00 41.12 40.34 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 1.02 0.00 3.26 6.12 0.00 -1.26 -4.96 105.19 109.37 2pcf n GLY 10 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 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 6.17 -0.92 1.61 0.15 -1.26 -4.88 113.70 114.57 2pcf s SER 11 Ca 0.00 -2.45 -0.24 0.00 0.70 0.00 0.00 55.95 53.96 2pcf s SER 11 Cb 0.00 -2.10 0.01 0.00 -1.71 0.00 0.00 66.02 62.22 2pcf s SER 11 CO 0.00 -0.60 1.64 -0.76 1.20 0.00 0.00 173.24 174.72 2pcf s LEU 12 N 0.55 3.33 -0.24 3.45 1.43 -1.26 -1.31 118.68 124.64 2pcf s LEU 12 Ca 0.13 -0.94 -0.26 0.00 -1.03 0.00 0.00 54.13 52.03 2pcf s LEU 12 Cb -0.18 -2.56 0.09 0.00 0.03 0.00 0.00 46.19 43.57 2pcf s LEU 12 CO -0.04 -2.04 0.83 0.00 0.23 0.00 0.00 176.35 175.33 2pcf s ALA 13 N 7.14 -1.85 0.09 4.21 0.00 -1.26 -4.23 121.76 125.86 2pcf s ALA 13 Ca 0.55 1.88 -0.31 0.00 0.00 0.00 0.00 51.96 54.08 2pcf s ALA 13 Cb -0.04 -1.10 -0.07 0.00 0.00 0.00 0.00 23.12 21.90 2pcf s ALA 13 CO -0.02 -0.31 1.42 -0.06 0.00 0.00 0.00 175.76 176.80 2pcf s PHE 14 N 0.07 3.07 -0.28 0.00 0.40 -1.26 -3.52 117.98 116.45 2pcf s PHE 14 Ca -0.00 0.85 -0.00 0.00 -0.60 0.00 0.00 56.93 57.17 2pcf s PHE 14 Cb -0.04 -3.71 0.09 0.00 0.51 0.00 0.00 43.02 39.86 2pcf s PHE 14 CO -0.00 -2.58 0.06 -0.51 0.70 0.00 0.00 175.22 172.89 2pcf s LEU 15 N 1.54 2.43 0.84 -0.37 1.02 -1.25 -1.63 118.68 121.27 2pcf s LEU 15 Ca 0.65 -1.51 -0.13 0.00 0.02 0.00 0.00 54.13 53.17 2pcf s LEU 15 Cb -0.36 -0.96 0.10 0.00 0.02 0.00 0.00 46.19 44.99 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 1.53 1.71 -0.01 1.29 0.04 -1.26 -0.97 135.00 137.34 2pcf s PRO 16 Ca 0.06 0.04 0.17 0.00 0.04 0.00 0.00 61.00 61.31 2pcf s PRO 16 Cb -0.18 -1.93 0.50 0.00 0.04 0.00 0.00 34.50 32.94 2pcf s PRO 16 CO -0.18 -1.76 1.42 0.41 0.04 0.00 0.00 177.00 176.93 2pcf n GLY 17 N -3.32 2.65 3.27 0.56 0.00 -0.65 -4.82 105.19 102.88 2pcf n GLY 17 Ca 0.09 -0.62 0.03 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.99 0.27 1.61 2.15 -1.26 -2.80 116.67 114.64 2pcf s ASP 18 Ca 0.38 0.84 0.02 0.00 0.43 0.00 0.00 52.55 54.21 2pcf s ASP 18 Cb 0.20 1.92 -0.05 0.00 -0.30 0.00 0.00 42.92 44.69 2pcf s ASP 18 CO 0.25 -0.19 0.10 0.72 -0.17 0.00 0.00 175.17 175.88 2pcf s PHE 19 N 2.82 1.59 -0.08 -5.34 -0.12 -1.23 -5.02 117.98 110.60 2pcf s PHE 19 Ca 0.07 -1.18 0.04 0.00 -0.05 0.00 0.00 56.93 55.81 2pcf s PHE 19 Cb -0.12 -0.94 0.00 0.00 -0.63 0.00 0.00 43.02 41.33 2pcf s PHE 19 CO -0.18 -0.32 -0.21 -1.12 -0.05 0.00 0.00 175.22 173.34 2pcf s SER 20 N -3.34 2.69 0.08 1.98 0.01 -1.26 -2.07 113.70 111.79 2pcf s SER 20 Ca 0.37 -0.47 0.01 0.00 1.31 0.00 0.00 55.95 57.17 2pcf s SER 20 Cb 0.08 -1.11 -0.00 0.00 0.21 0.00 0.00 66.02 65.19 2pcf s SER 20 CO 0.14 0.14 0.04 1.33 0.41 0.00 0.00 173.24 175.30 2pcf n VAL 21 N 3.46 0.00 -4.35 3.43 0.24 -1.06 -4.93 118.33 115.13 2pcf n VAL 21 Ca -0.20 -0.48 -0.21 0.00 -2.04 0.00 0.00 64.34 61.41 2pcf n VAL 21 Cb 0.53 0.19 -0.08 0.00 -1.47 0.00 0.00 33.84 33.01 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 -2.24 2.14 -0.33 2.33 0.00 -1.26 -1.83 121.76 120.57 2pcf s ALA 22 Ca 0.05 -1.79 -0.29 0.00 0.00 0.00 0.00 51.96 49.93 2pcf s ALA 22 Cb 0.00 1.26 -0.01 0.00 0.00 0.00 0.00 23.12 24.37 2pcf s ALA 22 CO 0.04 -0.56 1.54 0.45 0.00 0.00 0.00 175.76 177.23 2pcf s SER 23 N -3.43 6.29 0.00 0.00 0.15 -1.26 -2.54 113.70 112.91 2pcf s SER 23 Ca 0.35 1.20 0.00 0.00 0.70 0.00 0.00 55.95 58.20 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 0.23 -1.41 0.00 0.61 1.20 0.00 0.00 173.24 173.87 2pcf n GLY 24 N 4.95 1.73 3.90 9.45 0.00 -1.25 -5.03 105.19 118.95 2pcf n GLY 24 Ca 0.18 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 2.43 -0.08 1.61 0.41 -1.05 -5.06 118.70 116.96 2pcf s GLU 25 Ca 0.00 0.18 0.04 0.00 -0.41 0.00 0.00 54.97 54.77 2pcf s GLU 25 Cb 0.00 -2.04 0.00 0.00 -1.78 0.00 0.00 34.13 30.31 2pcf s GLU 25 CO 0.00 -1.24 -0.19 -1.21 -0.49 0.00 0.00 175.26 172.13 2pcf s GLU 26 N -5.39 2.33 0.16 1.61 2.02 -1.26 -4.41 118.70 113.77 2pcf s GLU 26 Ca 0.59 -0.67 -0.04 0.00 0.02 0.00 0.00 54.97 54.87 2pcf s GLU 26 Cb -0.11 -1.85 -0.05 0.00 0.10 0.00 0.00 34.13 32.22 2pcf s GLU 26 CO 0.49 0.15 0.39 0.42 0.02 0.00 0.00 175.26 176.72 2pcf s ILE 27 N 0.38 5.17 0.04 -1.63 1.09 -1.22 -4.94 121.20 120.08 2pcf s ILE 27 Ca -0.14 -0.05 0.03 0.00 -1.10 0.00 0.00 60.65 59.39 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 -0.02 -0.10 -0.69 -0.10 0.00 0.00 174.94 174.09 2pcf s VAL 28 N -1.72 0.77 -0.51 2.92 1.01 -1.25 -2.81 120.40 118.81 2pcf s VAL 28 Ca 0.41 -0.92 0.05 0.00 0.00 0.00 0.00 61.98 61.52 2pcf s VAL 28 Cb -0.12 -0.75 0.19 0.00 0.00 0.00 0.00 36.38 35.71 2pcf s VAL 28 CO 0.26 -0.14 0.45 0.49 0.00 0.00 0.00 175.10 176.16 2pcf n PHE 29 N 1.86 0.74 -2.67 5.22 3.72 -1.03 -2.50 117.46 122.80 2pcf n PHE 29 Ca -0.19 -3.70 -0.41 0.00 -0.05 0.00 0.00 57.45 53.09 2pcf n PHE 29 Cb 0.55 -0.16 -0.04 0.00 -0.94 0.00 0.00 39.48 38.89 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 -0.82 4.65 -0.11 -1.08 1.02 -0.46 -3.06 119.74 119.88 2pcf s LYS 30 Ca 0.32 1.51 -0.03 0.00 0.02 0.00 0.00 55.97 57.79 2pcf s LYS 30 Cb 0.05 -3.37 -0.03 0.00 -0.52 0.00 0.00 37.83 33.96 2pcf s LYS 30 CO -0.16 0.13 0.02 0.54 -0.92 0.00 0.00 175.35 174.96 2pcf s ASN 31 N 0.16 5.35 0.00 2.83 4.22 -1.22 0.77 114.94 127.05 2pcf s ASN 31 Ca 0.49 0.14 0.00 0.00 -2.14 0.00 0.00 52.86 51.35 2pcf s ASN 31 Cb -0.24 -1.63 0.00 0.00 1.28 0.00 0.00 41.25 40.66 2pcf s ASN 31 CO 0.30 0.33 0.00 -3.20 -2.04 0.00 0.00 177.10 172.50 2pcf n ASN 32 N 2.46 0.00 -4.37 3.54 5.15 -0.68 -3.43 115.26 117.93 2pcf n ASN 32 Ca -0.18 0.00 -0.28 0.00 -0.60 0.00 0.00 54.58 53.52 2pcf n ASN 32 Cb 0.53 -0.18 -0.13 0.00 -0.53 0.00 0.00 39.78 39.48 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 -2.40 2.26 0.00 5.20 0.00 -1.26 -4.68 121.76 120.87 2pcf s ALA 33 Ca 0.00 -1.42 0.00 0.00 0.00 0.00 0.00 51.96 50.54 2pcf s ALA 33 Cb 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 23.12 22.77 2pcf s ALA 33 CO 0.00 0.50 0.00 0.41 0.00 0.00 0.00 175.76 176.67 2pcf n GLY 34 N 0.95 0.80 3.72 0.00 0.00 -1.26 -4.28 105.19 105.11 2pcf n GLY 34 Ca -0.18 -0.57 -0.30 0.00 0.00 0.00 0.00 46.02 44.96 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 2.26 0.60 1.61 -0.12 -1.26 -4.54 117.98 114.53 2pcf s PHE 35 Ca 0.00 1.46 -0.13 0.00 -0.05 0.00 0.00 56.93 58.21 2pcf s PHE 35 Cb 0.00 -3.14 -0.05 0.00 -0.63 0.00 0.00 43.02 39.20 2pcf s PHE 35 CO 0.00 -2.30 1.02 -1.25 -0.05 0.00 0.00 175.22 172.64 2pcf s PRO 36 N -4.85 3.62 -0.28 1.99 0.04 -1.26 -5.01 135.00 129.26 2pcf s PRO 36 Ca 0.63 0.85 0.12 0.00 0.04 0.00 0.00 61.00 62.64 2pcf s PRO 36 Cb -0.19 -2.08 0.47 0.00 0.04 0.00 0.00 34.50 32.74 2pcf s PRO 36 CO 0.57 -0.55 1.17 0.72 0.04 0.00 0.00 177.00 178.95 2pcf n HIS 37 N -2.42 2.24 -2.02 0.56 8.25 -0.81 -4.69 115.22 116.33 2pcf n HIS 37 Ca 0.06 -2.17 -0.42 0.00 -0.26 0.00 0.00 57.72 54.93 2pcf n HIS 37 Cb 0.54 -0.30 -0.03 0.00 1.12 0.00 0.00 29.99 31.32 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 -3.65 6.68 0.21 0.41 4.22 -1.26 -4.84 114.94 116.71 2pcf s ASN 38 Ca 0.43 2.52 0.06 0.00 -2.14 0.00 0.00 52.86 53.73 2pcf s ASN 38 Cb 0.38 -2.59 -0.04 0.00 1.28 0.00 0.00 41.25 40.28 2pcf s ASN 38 CO 0.01 -0.75 0.19 0.68 -2.04 0.00 0.00 177.10 175.18 2pcf s VAL 39 N 1.02 4.55 -0.04 3.54 -7.23 -1.26 -1.12 120.40 119.86 2pcf s VAL 39 Ca 0.67 -1.22 -0.01 0.00 -1.81 0.00 0.00 61.98 59.61 2pcf s VAL 39 Cb -0.41 -3.40 0.03 0.00 0.56 0.00 0.00 36.38 33.16 2pcf s VAL 39 CO 0.32 -0.24 0.08 0.68 -0.31 0.00 0.00 175.10 175.63 2pcf s VAL 40 N -1.95 -0.05 0.17 1.32 -7.23 -1.07 -3.31 120.40 108.27 2pcf s VAL 40 Ca 0.32 0.18 -0.30 0.00 -1.81 0.00 0.00 61.98 60.38 2pcf s VAL 40 Cb -0.09 -0.15 -0.07 0.00 0.56 0.00 0.00 36.38 36.63 2pcf s VAL 40 CO 0.25 0.08 1.02 -0.36 -0.31 0.00 0.00 175.10 175.77 2pcf s PHE 41 N 1.03 3.75 0.21 2.82 0.40 -1.26 -3.29 117.98 121.64 2pcf s PHE 41 Ca -0.08 1.74 0.06 0.00 -0.60 0.00 0.00 56.93 58.04 2pcf s PHE 41 Cb -0.11 -3.14 -0.04 0.00 0.51 0.00 0.00 43.02 40.24 2pcf s PHE 41 CO -0.04 -0.10 0.21 0.34 0.70 0.00 0.00 175.22 176.32 2pcf s ASP 42 N -0.28 5.69 -0.13 1.36 -1.08 -1.18 -4.71 116.67 116.34 2pcf s ASP 42 Ca 0.47 -0.14 0.12 0.00 -0.52 0.00 0.00 52.55 52.48 2pcf s ASP 42 Cb -0.27 -1.52 0.57 0.00 -1.46 0.00 0.00 42.92 40.25 2pcf s ASP 42 CO 0.33 0.00 1.41 1.21 0.52 0.00 0.00 175.17 178.63 2pcf n GLU 43 N -0.89 3.44 0.16 4.34 4.07 -1.26 -4.05 120.64 126.45 2pcf n GLU 43 Ca -0.08 -2.21 0.12 0.00 -0.06 0.00 0.00 57.16 54.93 2pcf n GLU 43 Cb 0.56 -1.90 0.10 0.00 -0.06 0.00 0.00 31.44 30.15 2pcf n GLU 43 CO 0.00 0.00 0.00 -0.44 -0.06 0.00 0.00 177.13 176.63 2pcf h ASP 44 N 2.98 0.00 -0.31 4.31 5.19 -1.94 -3.35 116.42 123.30 2pcf h ASP 44 Ca 0.00 -0.01 -0.24 0.00 -0.62 0.00 0.00 57.03 56.17 2pcf h ASP 44 Cb 1.36 0.00 -0.38 0.00 0.18 0.00 0.00 39.33 40.49 2pcf h ASP 44 CO 0.27 0.00 -1.03 -0.62 -3.12 0.00 0.00 179.24 174.74 2pcf n GLU 45 N -2.88 1.38 -3.85 3.56 1.02 -1.26 -5.08 120.64 113.54 2pcf n GLU 45 Ca 0.02 -3.11 -0.36 0.00 -0.02 0.00 0.00 57.16 53.70 2pcf n GLU 45 Cb 0.53 -1.19 -0.06 0.00 -0.02 0.00 0.00 31.44 30.71 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 -2.70 5.44 -0.03 -3.67 1.01 -1.26 -4.19 121.20 115.80 2pcf s ILE 46 Ca 0.32 0.13 -0.03 0.00 0.00 0.00 0.00 60.65 61.07 2pcf s ILE 46 Cb 0.35 -3.48 -0.02 0.00 0.01 0.00 0.00 42.46 39.33 2pcf s ILE 46 CO -0.07 0.49 0.24 1.55 0.00 0.00 0.00 174.94 177.15 2pcf h PRO 47 N 4.48 -0.10 0.00 2.79 0.13 -1.92 -3.47 132.00 133.91 2pcf h PRO 47 Ca -0.52 0.01 -0.40 0.00 -0.87 0.00 0.00 66.00 64.22 2pcf h PRO 47 Cb 1.21 0.02 0.13 0.00 0.13 0.00 0.00 31.00 32.49 2pcf h PRO 47 CO 0.63 -0.06 0.28 0.45 -0.23 0.00 0.00 178.00 179.06 2pcf n SER 48 N -3.09 0.49 0.00 1.44 2.88 -1.26 -5.08 113.62 109.00 2pcf n SER 48 Ca -0.01 -1.64 0.00 0.00 -1.33 0.00 0.00 58.87 55.89 2pcf n SER 48 Cb 0.04 -0.80 0.00 0.00 -0.75 0.00 0.00 64.21 62.70 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 -2.49 1.22 1.38 0.46 0.00 -1.26 -5.04 105.19 99.46 2pcf n GLY 49 Ca 0.15 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.21 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 -2.19 -2.59 1.61 3.14 -1.26 -4.87 118.33 112.18 2pcf n VAL 50 Ca 0.00 1.20 -0.32 0.00 -2.96 0.00 0.00 64.34 62.26 2pcf n VAL 50 Cb 0.00 -1.96 -0.05 0.00 -1.06 0.00 0.00 33.84 30.77 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 -5.58 6.72 0.27 6.55 2.15 -1.26 -4.97 116.67 120.56 2pcf s ASP 51 Ca 0.00 1.56 0.15 0.00 0.43 0.00 0.00 52.55 54.69 2pcf s ASP 51 Cb 0.00 -2.50 0.05 0.00 -0.30 0.00 0.00 42.92 40.17 2pcf s ASP 51 CO 0.00 -0.49 1.44 0.00 -0.17 0.00 0.00 175.17 175.95 2pcf h ALA 52 N 1.30 0.66 0.00 3.66 0.00 -1.89 -3.14 119.26 119.84 2pcf h ALA 52 Ca -0.48 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 53.95 2pcf h ALA 52 Cb 1.18 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.89 2pcf h ALA 52 CO 0.62 0.66 0.00 0.00 0.00 0.00 0.00 179.25 180.53 2pcf h ALA 53 N 1.47 1.00 0.01 0.00 0.00 -1.90 -0.16 119.26 119.68 2pcf h ALA 53 Ca -0.01 0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.71 2pcf h ALA 53 Cb 1.40 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.18 2pcf h ALA 53 CO 0.07 0.00 -0.88 -0.22 0.00 0.00 0.00 179.25 178.22 2pcf h LYS 54 N 0.00 0.17 -0.01 0.00 1.63 -1.95 -3.27 116.57 113.14 2pcf h LYS 54 Ca 0.00 -0.19 0.00 0.00 -0.85 0.00 0.00 60.65 59.61 2pcf h LYS 54 Cb 0.63 0.06 0.00 0.00 -0.60 0.00 0.00 32.23 32.32 2pcf h LYS 54 CO 0.00 0.95 -0.21 0.44 -3.45 0.00 0.00 179.45 177.18 2pcf n ILE 55 N -3.64 0.00 -3.02 2.00 -5.35 -1.15 -4.99 119.36 103.21 2pcf n ILE 55 Ca -0.03 -0.40 -0.19 0.00 -0.27 0.00 0.00 62.75 61.86 2pcf n ILE 55 Cb 0.81 1.21 0.06 0.00 -1.74 0.00 0.00 39.64 39.98 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 -1.58 5.17 0.31 7.28 0.01 -0.08 -4.19 113.70 120.61 2pcf s SER 56 Ca 0.13 -0.77 -0.04 0.00 1.31 0.00 0.00 55.95 56.58 2pcf s SER 56 Cb 0.12 0.15 -0.05 0.00 0.21 0.00 0.00 66.02 66.45 2pcf s SER 56 CO 0.30 -1.27 0.56 -0.04 0.41 0.00 0.00 173.24 173.21 2pcf s MET 57 N -4.63 3.60 0.00 12.44 -1.94 -1.21 -4.88 119.30 122.67 2pcf s MET 57 Ca 0.61 -0.05 0.00 0.00 -1.71 0.00 0.00 55.69 54.53 2pcf s MET 57 Cb -0.06 -2.64 0.00 0.00 2.01 0.00 0.00 34.83 34.14 2pcf s MET 57 CO 0.38 0.18 0.00 0.45 -0.01 0.00 0.00 175.02 176.02 2pcf n SER 58 N -1.16 0.00 -0.07 3.03 2.88 -1.26 -5.00 113.62 112.04 2pcf n SER 58 Ca -0.02 -0.32 -0.11 0.00 -1.33 0.00 0.00 58.87 57.09 2pcf n SER 58 Cb 0.54 0.00 -0.15 0.00 -0.75 0.00 0.00 64.21 63.85 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 -0.32 0.67 0.06 -1.46 0.00 -1.26 -4.32 120.64 114.02 2pcf n GLU 59 Ca 0.00 0.12 -0.08 0.00 0.00 0.00 0.00 57.16 57.19 2pcf n GLU 59 Cb 0.00 -1.62 -0.12 0.00 0.00 0.00 0.00 31.44 29.70 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 0.04 -5.36 3.44 3.07 -2.06 -3.41 114.58 110.31 2pcf h GLU 60 Ca -0.46 -0.07 -0.64 0.00 -0.50 0.00 0.00 59.36 57.69 2pcf h GLU 60 Cb 2.13 0.03 -0.15 0.00 -0.84 0.00 0.00 28.75 29.92 2pcf h GLU 60 CO 0.04 1.01 0.47 -0.51 -1.40 0.00 0.00 179.01 178.61 2pcf s ASP 61 N -6.74 6.19 0.05 1.42 1.11 -1.26 -5.01 116.67 112.42 2pcf s ASP 61 Ca -0.00 -1.00 0.07 0.00 0.18 0.00 0.00 52.55 51.81 2pcf s ASP 61 Cb 0.09 -2.40 -0.03 0.00 1.07 0.00 0.00 42.92 41.66 2pcf s ASP 61 CO 0.83 -1.36 -0.21 -0.76 1.18 0.00 0.00 175.17 174.85 2pcf s LEU 62 N 3.82 2.18 -1.26 1.23 1.43 -1.26 -4.34 118.68 120.48 2pcf s LEU 62 Ca 0.21 -0.54 -0.08 0.00 -1.03 0.00 0.00 54.13 52.69 2pcf s LEU 62 Cb -0.18 -0.98 0.18 0.00 0.03 0.00 0.00 46.19 45.25 2pcf s LEU 62 CO 0.10 0.16 1.90 0.18 0.23 0.00 0.00 176.35 178.92 2pcf n LEU 63 N 1.79 6.83 0.04 1.79 4.32 -1.26 -4.61 117.00 125.90 2pcf n LEU 63 Ca -0.17 -4.76 0.02 0.00 -0.02 0.00 0.00 56.01 51.07 2pcf n LEU 63 Cb 0.53 -1.43 -0.08 0.00 -1.62 0.00 0.00 43.42 40.83 2pcf n LEU 63 CO 0.23 1.53 -0.30 -3.20 -1.22 0.00 0.00 177.39 174.43 2pcf n ASN 64 N 3.19 0.78 -4.84 -1.43 5.15 -1.26 -1.93 115.26 114.92 2pcf n ASN 64 Ca 0.41 0.34 -0.35 0.00 -0.60 0.00 0.00 54.58 54.38 2pcf n ASN 64 Cb 0.34 0.33 -0.06 0.00 -0.53 0.00 0.00 39.78 39.86 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 -3.01 3.47 -1.27 5.20 0.00 -1.26 -4.63 121.76 120.25 2pcf s ALA 65 Ca -0.03 -0.01 -0.19 0.00 0.00 0.00 0.00 51.96 51.73 2pcf s ALA 65 Cb 0.09 -2.67 0.03 0.00 0.00 0.00 0.00 23.12 20.57 2pcf s ALA 65 CO 0.81 0.39 1.82 -0.35 0.00 0.00 0.00 175.76 178.43 2pcf n PRO 66 N 0.47 2.76 0.00 0.00 -0.04 -1.26 -3.07 135.00 133.86 2pcf n PRO 66 Ca -0.02 -3.02 0.00 0.00 -0.04 0.00 0.00 63.50 60.42 2pcf n PRO 66 Cb 0.52 -3.53 0.00 0.00 -0.04 0.00 0.00 33.50 30.45 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 5.40 0.20 3.77 0.55 0.00 -1.22 -4.98 105.19 108.90 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 3.40 0.02 1.61 2.56 -1.18 -4.86 118.70 120.26 2pcf s GLU 68 Ca 0.00 1.75 0.02 0.00 0.00 0.00 0.00 54.97 56.73 2pcf s GLU 68 Cb 0.00 -2.14 -0.02 0.00 2.00 0.00 0.00 34.13 33.98 2pcf s GLU 68 CO 0.00 -0.84 -0.07 0.95 -0.56 0.00 0.00 175.26 174.74 2pcf s THR 69 N -1.63 0.48 -0.38 -1.70 -4.23 -1.26 -3.43 115.64 103.48 2pcf s THR 69 Ca 0.71 -0.72 -0.09 0.00 -1.18 0.00 0.00 61.69 60.41 2pcf s THR 69 Cb -0.28 -0.49 0.05 0.00 1.34 0.00 0.00 72.50 73.12 2pcf s THR 69 CO 0.32 -0.18 0.20 -0.47 -0.54 0.00 0.00 174.62 173.95 2pcf s TYR 70 N -0.85 3.29 -0.18 3.99 5.04 -1.17 -4.85 117.35 122.62 2pcf s TYR 70 Ca -0.05 -1.36 -0.11 0.00 -2.44 0.00 0.00 57.07 53.11 2pcf s TYR 70 Cb -0.07 -2.61 -0.05 0.00 0.35 0.00 0.00 41.96 39.59 2pcf s TYR 70 CO 0.00 -0.76 0.18 0.15 -1.34 0.00 0.00 175.55 173.78 2pcf s LYS 71 N 1.45 4.13 -0.22 4.97 3.01 -1.26 -2.47 119.74 129.35 2pcf s LYS 71 Ca 0.01 -0.11 0.02 0.00 -1.01 0.00 0.00 55.97 54.88 2pcf s LYS 71 Cb -0.21 -3.39 0.04 0.00 -1.01 0.00 0.00 37.83 33.26 2pcf s LYS 71 CO 0.03 0.34 -0.14 0.08 0.51 0.00 0.00 175.35 176.17 2pcf s VAL 72 N 0.22 2.01 -0.64 3.17 1.01 -1.12 -4.95 120.40 120.09 2pcf s VAL 72 Ca 0.11 -1.24 -0.24 0.00 0.00 0.00 0.00 61.98 60.62 2pcf s VAL 72 Cb -0.12 -2.00 0.06 0.00 0.00 0.00 0.00 36.38 34.32 2pcf s VAL 72 CO 0.00 0.23 0.99 -0.89 0.00 0.00 0.00 175.10 175.43 2pcf s THR 73 N 1.24 4.27 -0.06 3.92 2.01 -1.26 -3.43 115.64 122.33 2pcf s THR 73 Ca -0.02 -0.09 -0.07 0.00 0.31 0.00 0.00 61.69 61.82 2pcf s THR 73 Cb -0.17 -4.67 -0.04 0.00 0.01 0.00 0.00 72.50 67.63 2pcf s THR 73 CO -0.09 -1.41 0.21 -0.76 -0.69 0.00 0.00 174.62 171.89 2pcf s LEU 74 N 4.23 4.39 0.00 4.42 1.02 -1.26 -4.98 118.68 126.50 2pcf s LEU 74 Ca 0.26 0.53 0.00 0.00 0.02 0.00 0.00 54.13 54.94 2pcf s LEU 74 Cb -0.15 -2.37 0.00 0.00 0.02 0.00 0.00 46.19 43.70 2pcf s LEU 74 CO 0.13 0.34 0.00 0.35 0.02 0.00 0.00 176.35 177.19 2pcf n THR 75 N 1.58 0.00 -1.84 5.49 -2.24 -1.26 -3.76 114.28 112.24 2pcf n THR 75 Ca -0.16 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.29 2pcf n THR 75 Cb 0.54 -0.17 0.04 0.00 -2.10 0.00 0.00 70.33 68.64 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 -1.75 2.87 -0.23 -0.78 8.01 -1.26 -4.58 118.70 120.99 2pcf s GLU 76 Ca 0.00 1.45 -0.10 0.00 0.01 0.00 0.00 54.97 56.34 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 -1.20 0.14 0.15 0.01 0.00 0.00 175.26 174.35 2pcf s LYS 77 N -3.93 4.02 0.00 1.61 1.02 -1.26 -4.71 119.74 116.48 2pcf s LYS 77 Ca 0.68 -0.30 0.00 0.00 0.02 0.00 0.00 55.97 56.37 2pcf s LYS 77 Cb -0.22 -3.47 0.00 0.00 -0.52 0.00 0.00 37.83 33.63 2pcf s LYS 77 CO 0.39 0.07 0.00 0.41 -0.92 0.00 0.00 175.35 175.30 2pcf n GLY 78 N 4.22 -1.09 3.14 -3.33 0.00 0.66 -4.82 105.19 103.96 2pcf n GLY 78 Ca -0.15 -1.10 -0.33 0.00 0.00 0.00 0.00 46.02 44.43 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 2.54 0.72 2.61 2.01 -1.26 -1.83 115.64 117.43 2pcf s THR 79 Ca 0.00 -1.32 -0.02 0.00 0.31 0.00 0.00 61.69 60.66 2pcf s THR 79 Cb 0.00 -2.38 0.12 0.00 0.01 0.00 0.00 72.50 70.25 2pcf s THR 79 CO 0.00 0.08 0.99 -0.31 -0.69 0.00 0.00 174.62 174.70 2pcf s TYR 80 N 1.22 1.74 -0.30 4.92 1.51 0.36 -4.42 117.35 122.38 2pcf s TYR 80 Ca -0.04 -0.20 0.00 0.00 -1.01 0.00 0.00 57.07 55.82 2pcf s TYR 80 Cb -0.18 -3.03 0.14 0.00 -0.11 0.00 0.00 41.96 38.78 2pcf s TYR 80 CO -0.05 -1.67 0.33 0.21 -1.11 0.00 0.00 175.55 173.26 2pcf s LYS 81 N -5.15 0.37 0.32 -0.62 2.36 -1.26 -2.93 119.74 112.82 2pcf s LYS 81 Ca 0.66 -0.13 0.07 0.00 -2.55 0.00 0.00 55.97 54.01 2pcf s LYS 81 Cb -0.06 -0.58 -0.02 0.00 -1.05 0.00 0.00 37.83 36.12 2pcf s LYS 81 CO 0.44 -1.04 0.35 -0.59 1.55 0.00 0.00 175.35 176.06 2pcf s PHE 82 N 2.34 3.05 0.06 4.03 -0.12 -0.78 -3.10 117.98 123.46 2pcf s PHE 82 Ca 0.10 -0.22 -0.17 0.00 -0.05 0.00 0.00 56.93 56.58 2pcf s PHE 82 Cb -0.14 -1.79 0.03 0.00 -0.63 0.00 0.00 43.02 40.49 2pcf s PHE 82 CO -0.30 0.18 0.40 1.52 -0.05 0.00 0.00 175.22 176.97 2pcf s TYR 83 N -2.21 -0.24 -0.36 3.49 -0.85 -1.21 -1.81 117.35 114.17 2pcf s TYR 83 Ca 0.41 0.14 -0.28 0.00 -0.52 0.00 0.00 57.07 56.82 2pcf s TYR 83 Cb -0.08 0.22 -0.03 0.00 0.38 0.00 0.00 41.96 42.45 2pcf s TYR 83 CO 0.28 -0.59 1.90 0.00 -1.52 0.00 0.00 175.55 175.62 2pcf h SER 85 N 13.81 -0.79 0.00 0.00 0.02 -1.44 0.29 113.55 125.44 2pcf h SER 85 Ca -0.33 0.14 0.00 0.00 -0.84 0.00 0.00 61.79 60.76 2pcf h SER 85 Cb 1.18 0.37 0.00 0.00 0.14 0.00 0.00 62.40 64.09 2pcf h SER 85 CO 1.05 -0.28 0.00 -0.81 -1.14 0.00 0.00 176.83 175.65 2pcf n PRO 86 N -5.38 0.70 0.00 3.45 -0.04 -1.26 -2.95 135.00 129.52 2pcf n PRO 86 Ca -0.01 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.45 2pcf n PRO 86 Cb 0.29 -1.15 0.00 0.00 -0.04 0.00 0.00 33.50 32.60 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 1.12 0.00 0.07 0.54 8.25 -0.08 -4.96 115.22 120.16 2pcf n HIS 87 Ca 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.43 2pcf n HIS 87 Cb 0.35 0.00 0.21 0.00 1.12 0.00 0.00 29.99 31.67 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 0.32 0.00 -0.41 -0.00 -0.40 -2.69 115.11 111.92 2pcf h GLN 88 Ca 0.00 -0.15 0.00 0.00 -0.00 0.00 0.00 58.65 58.50 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 0.66 -0.62 0.41 -0.00 0.00 0.00 178.83 179.28 2pcf n GLY 89 N -0.19 -1.20 0.00 0.06 0.00 -1.26 -4.45 105.19 98.15 2pcf n GLY 89 Ca -0.01 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.51 -0.23 0.00 4.61 0.00 -1.02 -4.97 120.51 117.40 2pcf n ALA 90 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.49 2pcf n ALA 90 Cb 0.34 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.79 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 0.28 0.00 2.89 0.00 0.00 -1.23 -5.13 105.19 102.01 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 1.29 0.15 1.61 0.23 -1.25 -4.82 119.30 116.50 2pcf s MET 92 Ca 0.00 -1.21 -0.04 0.00 -1.03 0.00 0.00 55.69 53.41 2pcf s MET 92 Cb 0.00 -2.55 -0.03 0.00 -1.53 0.00 0.00 34.83 30.72 2pcf s MET 92 CO 0.00 -0.80 0.15 0.14 -2.03 0.00 0.00 175.02 172.48 2pcf s VAL 93 N 1.35 0.09 0.32 5.16 -7.23 -1.26 -2.69 120.40 116.14 2pcf s VAL 93 Ca 0.03 -1.70 0.01 0.00 -1.81 0.00 0.00 61.98 58.51 2pcf s VAL 93 Cb -0.18 -1.97 -0.02 0.00 0.56 0.00 0.00 36.38 34.77 2pcf s VAL 93 CO -0.12 -0.39 0.36 -0.83 -0.31 0.00 0.00 175.10 173.81 2pcf s GLY 94 N -3.02 1.80 -0.14 2.32 0.00 -0.75 -4.48 107.32 103.06 2pcf s GLY 94 Ca 0.22 -1.74 -0.12 0.00 0.00 0.00 0.00 44.72 43.07 2pcf s GLY 94 CO 0.01 -1.22 0.36 -1.59 0.00 0.00 0.00 173.10 170.67 2pcf s LYS 95 N -3.34 0.42 -0.35 2.90 -2.85 -1.12 -1.86 119.74 113.54 2pcf s LYS 95 Ca 0.35 0.53 -0.17 0.00 -1.00 0.00 0.00 55.97 55.68 2pcf s LYS 95 Cb 0.01 0.18 -0.01 0.00 -2.06 0.00 0.00 37.83 35.96 2pcf s LYS 95 CO 0.22 -0.06 0.47 0.08 0.10 0.00 0.00 175.35 176.16 2pcf s VAL 96 N 0.31 5.06 -1.11 1.79 1.01 -1.15 -3.56 120.40 122.75 2pcf s VAL 96 Ca -0.01 0.26 -0.04 0.00 0.00 0.00 0.00 61.98 62.20 2pcf s VAL 96 Cb -0.03 -3.92 0.29 0.00 0.00 0.00 0.00 36.38 32.71 2pcf s VAL 96 CO -0.01 -0.18 1.66 0.41 0.00 0.00 0.00 175.10 176.99 2pcf n THR 97 N 5.37 5.41 -2.70 3.92 -1.04 -0.88 -0.49 114.28 123.87 2pcf n THR 97 Ca -0.06 -5.69 -0.39 0.00 -2.04 0.00 0.00 64.05 55.88 2pcf n THR 97 Cb 0.49 -1.99 -0.06 0.00 -1.82 0.00 0.00 70.33 66.96 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 -2.69 4.00 0.00 12.58 0.11 -0.76 -2.55 120.40 131.09 2pcf s VAL 98 Ca 0.35 1.86 0.00 0.00 -2.93 0.00 0.00 61.98 61.26 2pcf s VAL 98 Cb 0.09 -4.12 0.00 0.00 -1.53 0.00 0.00 36.38 30.82 2pcf s VAL 98 CO 0.03 0.33 0.00 -0.46 -3.33 0.00 0.00 175.10 171.67