#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1teg s GLU 2 N 0.00 3.06 -0.10 1.45 2.12 -1.26 -0.37 118.70 123.60 1teg s GLU 2 Ca 0.00 -0.48 0.00 0.00 0.36 0.00 0.00 54.97 54.85 1teg s GLU 2 Cb 0.00 -2.86 0.02 0.00 0.26 0.00 0.00 34.13 31.55 1teg s GLU 2 CO 0.00 0.65 -0.08 0.08 -0.54 0.00 0.00 175.26 175.36 1teg s VAL 3 N -1.19 1.02 0.33 3.70 1.01 0.15 -4.67 120.40 120.75 1teg s VAL 3 Ca 0.23 -0.32 -0.26 0.00 0.00 0.00 0.00 61.98 61.62 1teg s VAL 3 Cb -0.12 -1.02 -0.09 0.00 0.00 0.00 0.00 36.38 35.15 1teg s VAL 3 CO 0.14 0.36 0.99 -0.76 0.00 0.00 0.00 175.10 175.83 1teg s LEU 4 N 1.44 4.35 -0.37 3.92 1.43 -0.14 -0.30 118.68 129.01 1teg s LEU 4 Ca -0.00 1.97 -0.10 0.00 -1.03 0.00 0.00 54.13 54.96 1teg s LEU 4 Cb -0.13 -3.96 0.03 0.00 0.03 0.00 0.00 46.19 42.16 1teg s LEU 4 CO -0.05 -0.17 0.19 -0.76 0.23 0.00 0.00 176.35 175.79 1teg s LEU 5 N -2.03 4.67 0.00 1.79 1.43 0.98 -1.16 118.68 124.36 1teg s LEU 5 Ca 0.50 -1.06 0.00 0.00 -1.03 0.00 0.00 54.13 52.55 1teg s LEU 5 Cb -0.22 -1.99 0.00 0.00 0.03 0.00 0.00 46.19 44.01 1teg s LEU 5 CO 0.28 -0.39 0.00 0.61 0.23 0.00 0.00 176.35 177.09 1teg n GLY 6 N 4.96 -2.36 3.88 -3.19 0.00 0.26 -1.21 105.19 107.53 1teg n GLY 6 Ca -0.12 -1.22 -0.30 0.00 0.00 0.00 0.00 46.02 44.39 1teg n GLY 6 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1teg s GLY 7 N -1.76 1.89 0.49 -0.02 0.00 -0.36 -3.50 107.32 104.06 1teg s GLY 7 Ca 0.00 -0.30 0.33 0.00 0.00 0.00 0.00 44.72 44.75 1teg s GLY 7 CO 0.00 -0.13 2.00 -1.33 0.00 0.00 0.00 173.10 173.64 1teg h GLY 8 N 1.28 0.00 -0.50 0.20 0.00 -1.92 -0.42 103.07 101.71 1teg h GLY 8 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.86 1teg h GLY 8 CO 0.64 0.00 0.00 2.09 0.00 0.00 0.00 176.54 179.27 1teg n ASP 9 N -2.75 1.45 0.00 0.19 5.75 -1.26 -4.91 116.55 115.02 1teg n ASP 9 Ca -0.01 -1.56 0.00 0.00 -0.01 0.00 0.00 54.79 53.21 1teg n ASP 9 Cb 0.14 -0.04 0.00 0.00 -1.03 0.00 0.00 41.12 40.19 1teg n ASP 9 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1teg n GLY 10 N 1.14 0.73 3.75 6.12 0.00 -0.17 -5.05 105.19 111.70 1teg n GLY 10 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 1teg n GLY 10 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1teg s SER 11 N -2.58 6.64 -1.18 1.61 1.04 -1.24 -4.80 113.70 113.19 1teg s SER 11 Ca 0.00 2.69 -0.12 0.00 0.48 0.00 0.00 55.95 59.01 1teg s SER 11 Cb 0.00 -2.63 0.21 0.00 0.10 0.00 0.00 66.02 63.70 1teg s SER 11 CO 0.00 -0.70 1.32 0.18 0.98 0.00 0.00 173.24 175.02 1teg n LEU 12 N 2.09 5.35 -3.81 2.42 4.77 -1.26 -1.23 117.00 125.33 1teg n LEU 12 Ca 0.06 -4.68 -0.09 0.00 -0.03 0.00 0.00 56.01 51.26 1teg n LEU 12 Cb 0.40 -1.57 -0.06 0.00 -2.33 0.00 0.00 43.42 39.86 1teg n LEU 12 CO 0.61 0.97 0.01 0.00 -1.33 0.00 0.00 177.39 177.65 1teg s ALA 13 N 0.46 -0.41 -0.06 -1.18 0.00 -1.26 -3.32 121.76 115.99 1teg s ALA 13 Ca 0.38 -0.50 -0.19 0.00 0.00 0.00 0.00 51.96 51.66 1teg s ALA 13 Cb -0.05 0.64 -0.05 0.00 0.00 0.00 0.00 23.12 23.66 1teg s ALA 13 CO -0.03 -0.59 0.52 -0.06 0.00 0.00 0.00 175.76 175.60 1teg s PHE 14 N -3.87 3.60 -0.28 0.00 0.08 -1.26 0.89 117.98 117.15 1teg s PHE 14 Ca 0.07 1.03 -0.00 0.00 0.12 0.00 0.00 56.93 58.15 1teg s PHE 14 Cb 0.03 -2.55 0.08 0.00 -0.57 0.00 0.00 43.02 40.01 1teg s PHE 14 CO -0.08 0.28 0.05 -0.51 -0.10 0.00 0.00 175.22 174.86 1teg s LEU 15 N 0.15 2.45 0.51 -0.37 1.43 -0.31 -1.76 118.68 120.77 1teg s LEU 15 Ca 0.28 -1.45 -0.19 0.00 -1.03 0.00 0.00 54.13 51.74 1teg s LEU 15 Cb -0.16 -0.99 -0.08 0.00 0.03 0.00 0.00 46.19 44.99 1teg s LEU 15 CO 0.13 -0.35 1.02 -2.16 0.23 0.00 0.00 176.35 175.22 1teg s PRO 16 N 1.52 3.79 0.00 1.29 0.04 -1.26 -0.96 135.00 139.41 1teg s PRO 16 Ca 0.04 1.20 0.25 0.00 0.04 0.00 0.00 61.00 62.54 1teg s PRO 16 Cb -0.18 -2.10 0.52 0.00 0.04 0.00 0.00 34.50 32.78 1teg s PRO 16 CO -0.16 -0.42 1.42 0.41 0.04 0.00 0.00 177.00 178.29 1teg n GLY 17 N -0.74 -0.88 2.91 0.56 0.00 -0.72 -4.74 105.19 101.58 1teg n GLY 17 Ca 0.08 -0.41 -0.12 0.00 0.00 0.00 0.00 46.02 45.57 1teg n GLY 17 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1teg s ASP 18 N -2.76 0.53 0.26 1.61 -1.08 -1.26 -1.29 116.67 112.69 1teg s ASP 18 Ca 0.17 0.22 -0.04 0.00 -0.52 0.00 0.00 52.55 52.38 1teg s ASP 18 Cb 0.18 0.88 -0.02 0.00 -1.46 0.00 0.00 42.92 42.50 1teg s ASP 18 CO 0.63 -0.29 0.33 0.72 0.52 0.00 0.00 175.17 177.07 1teg s PHE 19 N 2.47 0.98 0.01 -5.34 -0.71 -1.01 -5.01 117.98 109.37 1teg s PHE 19 Ca 0.08 -1.21 0.04 0.00 -1.04 0.00 0.00 56.93 54.81 1teg s PHE 19 Cb -0.15 -0.25 -0.01 0.00 -1.21 0.00 0.00 43.02 41.40 1teg s PHE 19 CO -0.13 -0.89 -0.14 -1.12 -1.34 0.00 0.00 175.22 171.60 1teg s SER 20 N -3.16 1.62 0.24 1.98 0.01 -1.26 -1.67 113.70 111.46 1teg s SER 20 Ca 0.32 -0.32 0.01 0.00 1.31 0.00 0.00 55.95 57.27 1teg s SER 20 Cb 0.03 -0.15 -0.05 0.00 0.21 0.00 0.00 66.02 66.05 1teg s SER 20 CO 0.15 0.12 0.10 0.68 0.41 0.00 0.00 173.24 174.70 1teg s VAL 21 N -0.50 0.41 0.14 3.43 -7.23 -0.59 -4.95 120.40 111.11 1teg s VAL 21 Ca 0.04 -2.00 -0.06 0.00 -1.81 0.00 0.00 61.98 58.15 1teg s VAL 21 Cb -0.06 -2.59 -0.06 0.00 0.56 0.00 0.00 36.38 34.23 1teg s VAL 21 CO 0.00 -0.01 0.40 0.00 -0.31 0.00 0.00 175.10 175.17 1teg s ALA 22 N -3.86 3.75 0.17 1.32 0.00 -1.26 -1.52 121.76 120.37 1teg s ALA 22 Ca 0.38 -0.49 -0.33 0.00 0.00 0.00 0.00 51.96 51.51 1teg s ALA 22 Cb 0.08 -2.19 -0.14 0.00 0.00 0.00 0.00 23.12 20.87 1teg s ALA 22 CO 0.13 0.63 1.56 0.43 0.00 0.00 0.00 175.76 178.51 1teg n SER 23 N 0.25 3.08 0.00 0.00 7.64 0.04 -0.95 113.62 123.68 1teg n SER 23 Ca -0.03 1.09 0.00 0.00 1.01 0.00 0.00 58.87 60.94 1teg n SER 23 Cb 0.52 -1.43 0.00 0.00 -1.01 0.00 0.00 64.21 62.29 1teg n SER 23 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1teg n GLY 24 N 3.25 0.71 3.70 0.23 0.00 0.11 -4.97 105.19 108.22 1teg n GLY 24 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 1teg n GLY 24 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1teg s GLU 25 N -0.75 4.39 0.54 1.61 2.12 -0.13 -4.92 118.70 121.57 1teg s GLU 25 Ca 0.00 0.84 -0.21 0.00 0.36 0.00 0.00 54.97 55.96 1teg s GLU 25 Cb 0.00 -3.48 -0.05 0.00 0.26 0.00 0.00 34.13 30.86 1teg s GLU 25 CO 0.00 -0.01 1.22 -1.83 -0.54 0.00 0.00 175.26 174.10 1teg s GLU 26 N 1.07 3.26 -0.17 4.30 -1.05 -1.26 -4.24 118.70 120.61 1teg s GLU 26 Ca 0.36 1.89 0.00 0.00 -0.15 0.00 0.00 54.97 57.07 1teg s GLU 26 Cb -0.17 -2.14 0.03 0.00 -0.44 0.00 0.00 34.13 31.41 1teg s GLU 26 CO 0.16 -0.99 -0.11 0.42 0.95 0.00 0.00 175.26 175.69 1teg s ILE 27 N -1.53 1.49 -0.29 1.83 1.01 -0.08 -0.06 121.20 123.58 1teg s ILE 27 Ca 0.72 -0.74 -0.06 0.00 0.00 0.00 0.00 60.65 60.57 1teg s ILE 27 Cb -0.32 -1.51 0.02 0.00 0.01 0.00 0.00 42.46 40.67 1teg s ILE 27 CO 0.36 0.30 0.06 -0.69 0.00 0.00 0.00 174.94 174.97 1teg s VAL 28 N 1.49 3.73 -0.54 2.92 1.01 0.50 -1.42 120.40 128.09 1teg s VAL 28 Ca 0.02 -0.83 -0.18 0.00 0.00 0.00 0.00 61.98 61.00 1teg s VAL 28 Cb -0.14 -2.95 0.09 0.00 0.00 0.00 0.00 36.38 33.38 1teg s VAL 28 CO -0.09 0.06 0.60 -0.36 0.00 0.00 0.00 175.10 175.31 1teg s PHE 29 N 1.45 3.09 -0.16 5.22 0.08 0.15 0.31 117.98 128.12 1teg s PHE 29 Ca 0.01 -0.90 -0.06 0.00 0.12 0.00 0.00 56.93 56.10 1teg s PHE 29 Cb -0.17 -3.73 -0.04 0.00 -0.57 0.00 0.00 43.02 38.50 1teg s PHE 29 CO 0.01 -1.11 0.06 0.00 -0.10 0.00 0.00 175.22 174.08 1teg n ASN 31 N 3.14 3.18 -0.01 0.00 4.13 0.14 -0.01 115.26 125.82 1teg n ASN 31 Ca -0.17 0.86 -0.04 0.00 1.68 0.00 0.00 54.58 56.90 1teg n ASN 31 Cb 0.53 -1.35 -0.01 0.00 -1.54 0.00 0.00 39.78 37.41 1teg n ASN 31 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 1teg n ASN 32 N 7.32 1.44 -3.80 6.41 5.15 -0.35 -3.74 115.26 127.68 1teg n ASN 32 Ca 0.26 0.22 -0.10 0.00 -0.60 0.00 0.00 54.58 54.36 1teg n ASN 32 Cb 0.28 -0.51 -0.05 0.00 -0.53 0.00 0.00 39.78 38.97 1teg n ASN 32 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1teg s ALA 33 N -2.42 -0.60 -1.17 5.20 0.00 -0.89 -4.92 121.76 116.95 1teg s ALA 33 Ca -0.13 -0.44 0.00 0.00 0.00 0.00 0.00 51.96 51.39 1teg s ALA 33 Cb 0.02 0.82 0.00 0.00 0.00 0.00 0.00 23.12 23.96 1teg s ALA 33 CO 0.19 -0.72 0.00 0.41 0.00 0.00 0.00 175.76 175.64 1teg n GLY 34 N -0.27 1.20 3.79 0.00 0.00 -1.26 -4.02 105.19 104.62 1teg n GLY 34 Ca -0.10 -0.33 -0.30 0.00 0.00 0.00 0.00 46.02 45.29 1teg n GLY 34 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1teg s PHE 35 N -2.30 2.68 0.55 1.61 -0.12 -1.26 -4.69 117.98 114.45 1teg s PHE 35 Ca 0.00 1.07 -0.20 0.00 -0.05 0.00 0.00 56.93 57.75 1teg s PHE 35 Cb 0.00 -3.20 -0.05 0.00 -0.63 0.00 0.00 43.02 39.14 1teg s PHE 35 CO 0.00 -2.02 1.23 -1.25 -0.05 0.00 0.00 175.22 173.13 1teg s PRO 36 N -5.17 3.17 0.27 1.99 0.04 -1.26 -5.09 135.00 128.96 1teg s PRO 36 Ca 0.62 1.90 0.02 0.00 0.04 0.00 0.00 61.00 63.57 1teg s PRO 36 Cb -0.15 -2.09 -0.04 0.00 0.04 0.00 0.00 34.50 32.25 1teg s PRO 36 CO 0.54 -1.06 0.12 -1.01 0.04 0.00 0.00 177.00 175.64 1teg s HIS 37 N -1.52 1.52 0.24 0.56 3.76 -1.19 -4.92 115.29 113.73 1teg s HIS 37 Ca 0.73 -1.28 -0.18 0.00 -0.15 0.00 0.00 55.06 54.19 1teg s HIS 37 Cb -0.32 -0.84 0.02 0.00 1.11 0.00 0.00 32.58 32.55 1teg s HIS 37 CO 0.36 -0.44 0.59 0.54 -0.85 0.00 0.00 174.74 174.94 1teg s ASN 38 N -3.32 -0.24 -0.20 1.40 4.22 -1.26 0.63 114.94 116.18 1teg s ASN 38 Ca 0.37 -0.61 0.01 0.00 -2.14 0.00 0.00 52.86 50.49 1teg s ASN 38 Cb 0.07 0.64 0.04 0.00 1.28 0.00 0.00 41.25 43.28 1teg s ASN 38 CO 0.15 -1.18 -0.09 -0.69 -2.04 0.00 0.00 177.10 173.25 1teg s VAL 39 N -3.92 1.52 -0.10 3.54 1.01 -1.26 -4.11 120.40 117.09 1teg s VAL 39 Ca 0.13 -0.97 0.01 0.00 0.00 0.00 0.00 61.98 61.15 1teg s VAL 39 Cb -0.03 -1.65 0.02 0.00 0.00 0.00 0.00 36.38 34.72 1teg s VAL 39 CO 0.03 0.12 -0.13 -0.69 0.00 0.00 0.00 175.10 174.43 1teg s VAL 40 N 1.44 1.34 0.19 2.92 1.01 -0.10 -1.03 120.40 126.17 1teg s VAL 40 Ca -0.02 -0.54 -0.23 0.00 0.00 0.00 0.00 61.98 61.19 1teg s VAL 40 Cb -0.16 -1.25 -0.08 0.00 0.00 0.00 0.00 36.38 34.89 1teg s VAL 40 CO -0.08 0.41 0.75 -0.36 0.00 0.00 0.00 175.10 175.83 1teg s PHE 41 N 1.07 3.79 -0.54 5.22 0.40 -1.26 -0.50 117.98 126.15 1teg s PHE 41 Ca -0.06 1.53 -0.28 0.00 -0.60 0.00 0.00 56.93 57.52 1teg s PHE 41 Cb -0.15 -2.70 0.01 0.00 0.51 0.00 0.00 43.02 40.69 1teg s PHE 41 CO -0.02 0.43 1.48 0.34 0.70 0.00 0.00 175.22 178.15 1teg s ASP 42 N -1.37 6.04 0.16 1.36 -1.08 0.20 -4.84 116.67 117.14 1teg s ASP 42 Ca 0.39 0.38 0.07 0.00 -0.52 0.00 0.00 52.55 52.87 1teg s ASP 42 Cb -0.20 -2.54 0.37 0.00 -1.46 0.00 0.00 42.92 39.09 1teg s ASP 42 CO 0.24 -1.76 1.07 -1.84 0.52 0.00 0.00 175.17 173.39 1teg n GLU 43 N 8.67 0.05 0.00 4.34 0.28 -1.26 -0.11 120.64 132.61 1teg n GLU 43 Ca 0.14 0.44 0.10 0.00 -0.16 0.00 0.00 57.16 57.68 1teg n GLU 43 Cb 0.49 -1.88 -0.10 0.00 1.43 0.00 0.00 31.44 31.39 1teg n GLU 43 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1teg n ASP 44 N -1.69 1.13 -2.84 -1.84 8.00 -1.26 -4.59 116.55 113.47 1teg n ASP 44 Ca -0.00 -1.06 -0.19 0.00 0.71 0.00 0.00 54.79 54.24 1teg n ASP 44 Cb 0.24 0.92 -0.01 0.00 -0.02 0.00 0.00 41.12 42.25 1teg n ASP 44 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1teg n GLU 45 N -1.30 2.03 -4.07 -1.24 -0.58 0.84 -5.06 120.64 111.26 1teg n GLU 45 Ca 0.05 -3.90 -0.07 0.00 -0.42 0.00 0.00 57.16 52.81 1teg n GLU 45 Cb 0.35 -1.81 -0.10 0.00 -0.57 0.00 0.00 31.44 29.31 1teg n GLU 45 CO 0.00 0.00 0.00 0.96 -0.48 0.00 0.00 177.13 177.61 1teg s ILE 46 N -3.72 0.20 0.64 -3.67 -4.36 -1.24 -0.70 121.20 108.35 1teg s ILE 46 Ca 0.40 -1.67 -0.17 0.00 -0.26 0.00 0.00 60.65 58.95 1teg s ILE 46 Cb 0.38 -1.34 -0.08 0.00 1.25 0.00 0.00 42.46 42.67 1teg s ILE 46 CO -0.08 -0.92 0.34 -2.65 0.24 0.00 0.00 174.94 171.87 1teg n PRO 47 N 0.31 0.31 -1.73 0.37 -0.02 -1.24 -4.89 135.00 128.11 1teg n PRO 47 Ca -0.15 0.13 -0.42 0.00 -2.02 0.00 0.00 63.50 61.04 1teg n PRO 47 Cb 0.60 -1.60 -0.02 0.00 -0.02 0.00 0.00 33.50 32.46 1teg n PRO 47 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1teg n SER 48 N 0.69 3.88 0.00 2.55 2.88 -1.26 -2.54 113.62 119.82 1teg n SER 48 Ca 0.10 1.11 0.00 0.00 -1.33 0.00 0.00 58.87 58.75 1teg n SER 48 Cb 0.49 -1.58 0.00 0.00 -0.75 0.00 0.00 64.21 62.37 1teg n SER 48 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1teg n GLY 49 N 2.87 1.95 3.75 0.46 0.00 -1.26 -5.02 105.19 107.94 1teg n GLY 49 Ca 0.12 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.74 1teg n GLY 49 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1teg s VAL 50 N -2.90 4.60 -0.42 1.61 1.01 -1.05 -5.02 120.40 118.22 1teg s VAL 50 Ca 0.00 1.75 -0.19 0.00 0.00 0.00 0.00 61.98 63.54 1teg s VAL 50 Cb 0.00 -4.17 0.02 0.00 0.00 0.00 0.00 36.38 32.23 1teg s VAL 50 CO 0.00 0.38 0.53 -0.62 0.00 0.00 0.00 175.10 175.40 1teg s ASP 51 N -0.26 6.26 0.35 3.32 -1.08 -1.26 -4.96 116.67 119.04 1teg s ASP 51 Ca 0.40 -0.48 0.07 0.00 -0.52 0.00 0.00 52.55 52.01 1teg s ASP 51 Cb -0.22 -2.27 0.75 0.00 -1.46 0.00 0.00 42.92 39.73 1teg s ASP 51 CO 0.25 -0.66 1.91 0.00 0.52 0.00 0.00 175.17 177.18 1teg h ALA 52 N 8.78 1.75 0.00 3.66 0.00 -1.93 -1.43 119.26 130.09 1teg h ALA 52 Ca -0.26 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.64 1teg h ALA 52 Cb 1.10 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.73 1teg h ALA 52 CO 0.84 0.07 -0.02 0.00 0.00 0.00 0.00 179.25 180.14 1teg h ALA 53 N 1.59 1.01 0.00 0.00 0.00 -1.93 -0.43 119.26 119.50 1teg h ALA 53 Ca 0.39 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.24 1teg h ALA 53 Cb 0.49 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1teg h ALA 53 CO -0.16 0.02 -0.26 0.87 0.00 0.00 0.00 179.25 179.72 1teg h LYS 54 N 0.00 0.00 -0.01 0.00 1.57 -1.68 -3.33 116.57 113.12 1teg h LYS 54 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1teg h LYS 54 Cb 0.52 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.83 1teg h LYS 54 CO 0.00 0.21 -0.22 0.44 -0.57 0.00 0.00 179.45 179.31 1teg n ILE 55 N -3.13 0.00 -4.13 1.86 -5.35 -1.01 -5.03 119.36 102.56 1teg n ILE 55 Ca 0.03 -0.39 -0.24 0.00 -0.27 0.00 0.00 62.75 61.88 1teg n ILE 55 Cb 0.62 1.08 -0.05 0.00 -1.74 0.00 0.00 39.64 39.55 1teg n ILE 55 CO 0.00 0.00 0.00 -0.44 -1.76 0.00 0.00 176.55 174.35 1teg s SER 56 N -1.34 5.33 0.40 7.28 0.01 -0.20 -4.83 113.70 120.35 1teg s SER 56 Ca 0.06 -0.27 -0.14 0.00 1.31 0.00 0.00 55.95 56.92 1teg s SER 56 Cb 0.07 -1.31 -0.08 0.00 0.21 0.00 0.00 66.02 64.91 1teg s SER 56 CO 0.24 0.02 0.82 -0.04 0.41 0.00 0.00 173.24 174.68 1teg s MET 57 N -3.47 3.92 0.46 12.44 -1.94 -0.20 -4.88 119.30 125.63 1teg s MET 57 Ca 0.31 0.68 -0.24 0.00 -1.71 0.00 0.00 55.69 54.74 1teg s MET 57 Cb -0.09 -2.34 -0.07 0.00 2.01 0.00 0.00 34.83 34.35 1teg s MET 57 CO 0.23 -0.02 1.26 -1.12 -0.01 0.00 0.00 175.02 175.37 1teg s SER 58 N -2.77 6.01 0.29 3.03 0.01 -1.26 -4.64 113.70 114.37 1teg s SER 58 Ca 0.55 2.54 0.03 0.00 1.31 0.00 0.00 55.95 60.38 1teg s SER 58 Cb -0.10 -2.62 0.70 0.00 0.21 0.00 0.00 66.02 64.20 1teg s SER 58 CO 0.25 -1.05 1.71 -0.33 0.41 0.00 0.00 173.24 174.23 1teg h GLU 59 N 2.14 0.44 0.00 12.44 4.39 -1.96 -0.72 114.58 131.32 1teg h GLU 59 Ca -0.50 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.18 1teg h GLU 59 Cb 1.26 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.81 1teg h GLU 59 CO 0.60 0.29 0.00 1.05 -1.16 0.00 0.00 179.01 179.79 1teg h GLU 60 N 0.45 0.00 -6.56 2.33 9.09 -2.04 -3.46 114.58 114.39 1teg h GLU 60 Ca 0.54 0.00 -0.52 0.00 0.05 0.00 0.00 59.36 59.43 1teg h GLU 60 Cb 0.99 0.00 -0.03 0.00 -1.65 0.00 0.00 28.75 28.06 1teg h GLU 60 CO -0.49 0.00 0.12 -0.51 0.05 0.00 0.00 179.01 178.18 1teg s ASP 61 N -5.05 7.13 0.06 3.06 1.01 -0.28 -5.09 116.67 117.52 1teg s ASP 61 Ca 0.07 1.47 0.01 0.00 0.71 0.00 0.00 52.55 54.81 1teg s ASP 61 Cb 0.09 -2.44 -0.03 0.00 1.01 0.00 0.00 42.92 41.55 1teg s ASP 61 CO 0.56 0.07 -0.05 -0.76 0.21 0.00 0.00 175.17 175.20 1teg s LEU 62 N -1.78 2.42 -0.77 1.23 1.43 -1.26 -4.71 118.68 115.24 1teg s LEU 62 Ca 0.41 -0.85 -0.18 0.00 -1.03 0.00 0.00 54.13 52.48 1teg s LEU 62 Cb -0.18 0.02 0.13 0.00 0.03 0.00 0.00 46.19 46.18 1teg s LEU 62 CO 0.22 -0.43 0.91 -0.76 0.23 0.00 0.00 176.35 176.52 1teg s LEU 63 N -2.50 5.38 0.21 1.79 1.43 0.21 -4.88 118.68 120.31 1teg s LEU 63 Ca 0.02 -1.83 0.25 0.00 -1.03 0.00 0.00 54.13 51.54 1teg s LEU 63 Cb 0.01 -2.34 0.61 0.00 0.03 0.00 0.00 46.19 44.50 1teg s LEU 63 CO -0.05 -1.04 1.61 0.78 0.23 0.00 0.00 176.35 177.88 1teg h ASN 64 N 8.85 0.00 -2.23 2.29 2.35 -1.95 -3.15 115.58 121.74 1teg h ASN 64 Ca -0.05 -0.06 -0.52 0.00 -0.55 0.00 0.00 56.30 55.12 1teg h ASN 64 Cb 1.05 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 39.36 1teg h ASN 64 CO 1.05 0.03 -0.55 0.00 -1.65 0.00 0.00 177.43 176.31 1teg s ALA 65 N -3.14 3.50 0.29 -0.83 0.00 -1.26 -4.75 121.76 115.57 1teg s ALA 65 Ca 0.09 -1.45 -0.29 0.00 0.00 0.00 0.00 51.96 50.30 1teg s ALA 65 Cb 0.12 -1.20 -0.10 0.00 0.00 0.00 0.00 23.12 21.94 1teg s ALA 65 CO 0.64 0.27 1.35 -2.14 0.00 0.00 0.00 175.76 175.88 1teg s PRO 66 N -3.77 4.34 0.00 0.00 0.02 -1.26 -2.55 135.00 131.77 1teg s PRO 66 Ca 0.32 2.21 0.00 0.00 0.02 0.00 0.00 61.00 63.56 1teg s PRO 66 Cb -0.08 -3.10 0.00 0.00 0.02 0.00 0.00 34.50 31.34 1teg s PRO 66 CO 0.24 -0.26 0.00 0.41 -0.33 0.00 0.00 177.00 177.05 1teg n GLY 67 N 1.47 0.82 3.74 0.52 0.00 -1.24 -5.00 105.19 105.50 1teg n GLY 67 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 1teg n GLY 67 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1teg s GLU 68 N -0.13 4.63 0.25 1.61 2.12 -1.06 -4.65 118.70 121.47 1teg s GLU 68 Ca 0.00 1.68 0.04 0.00 0.36 0.00 0.00 54.97 57.05 1teg s GLU 68 Cb 0.00 -3.28 -0.05 0.00 0.26 0.00 0.00 34.13 31.05 1teg s GLU 68 CO 0.00 0.13 -0.00 0.00 -0.54 0.00 0.00 175.26 174.85 1teg s TYR 70 N -3.35 2.13 -0.13 0.00 5.04 -0.31 -4.95 117.35 115.79 1teg s TYR 70 Ca 0.30 -1.22 -0.03 0.00 -2.44 0.00 0.00 57.07 53.69 1teg s TYR 70 Cb 0.06 -1.57 -0.03 0.00 0.35 0.00 0.00 41.96 40.77 1teg s TYR 70 CO 0.10 -0.67 -0.04 0.21 -1.34 0.00 0.00 175.55 173.81 1teg s LYS 71 N 1.50 3.45 -0.00 4.97 2.20 -1.26 -0.67 119.74 129.92 1teg s LYS 71 Ca 0.04 -0.52 -0.02 0.00 -0.36 0.00 0.00 55.97 55.11 1teg s LYS 71 Cb -0.13 -2.84 -0.00 0.00 -1.51 0.00 0.00 37.83 33.35 1teg s LYS 71 CO -0.10 0.36 0.05 0.54 -0.36 0.00 0.00 175.35 175.83 1teg s VAL 72 N 0.04 0.05 -0.25 4.02 0.11 -0.51 -4.98 120.40 118.89 1teg s VAL 72 Ca -0.00 -0.41 0.03 0.00 -2.93 0.00 0.00 61.98 58.66 1teg s VAL 72 Cb -0.13 -0.21 0.05 0.00 -1.53 0.00 0.00 36.38 34.56 1teg s VAL 72 CO 0.03 -0.23 -0.12 -0.89 -3.33 0.00 0.00 175.10 170.56 1teg s THR 73 N -0.69 2.12 0.09 5.04 2.01 -1.26 -0.90 115.64 122.04 1teg s THR 73 Ca -0.08 -1.52 -0.19 0.00 0.31 0.00 0.00 61.69 60.21 1teg s THR 73 Cb -0.05 -2.19 -0.07 0.00 0.01 0.00 0.00 72.50 70.20 1teg s THR 73 CO 0.00 0.05 0.59 -0.76 -0.69 0.00 0.00 174.62 173.81 1teg s LEU 74 N 1.14 4.51 0.00 4.42 1.43 -1.26 -4.90 118.68 124.03 1teg s LEU 74 Ca -0.07 1.28 0.00 0.00 -1.03 0.00 0.00 54.13 54.31 1teg s LEU 74 Cb -0.19 -2.98 0.00 0.00 0.03 0.00 0.00 46.19 43.05 1teg s LEU 74 CO -0.06 0.25 0.00 0.35 0.23 0.00 0.00 176.35 177.12 1teg n THR 75 N 1.61 0.00 -1.86 5.49 -2.24 -1.26 -0.71 114.28 115.30 1teg n THR 75 Ca -0.09 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.27 1teg n THR 75 Cb 0.51 -0.49 -0.02 0.00 -2.10 0.00 0.00 70.33 68.23 1teg n THR 75 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1teg s GLU 76 N -1.94 4.17 0.25 -0.78 0.41 -1.26 -4.71 118.70 114.84 1teg s GLU 76 Ca 0.00 2.49 -0.22 0.00 -0.41 0.00 0.00 54.97 56.83 1teg s GLU 76 Cb 0.00 -3.04 -0.09 0.00 -1.78 0.00 0.00 34.13 29.23 1teg s GLU 76 CO 0.00 -0.54 0.80 0.15 -0.49 0.00 0.00 175.26 175.18 1teg s LYS 77 N -0.82 4.37 0.00 1.61 1.02 -1.26 -4.73 119.74 119.92 1teg s LYS 77 Ca 0.60 1.03 0.00 0.00 0.02 0.00 0.00 55.97 57.61 1teg s LYS 77 Cb -0.46 -2.86 0.00 0.00 -0.52 0.00 0.00 37.83 33.99 1teg s LYS 77 CO 0.50 0.36 0.00 0.41 -0.92 0.00 0.00 175.35 175.70 1teg n GLY 78 N 0.69 1.88 3.77 -3.33 0.00 -0.56 -4.77 105.19 102.87 1teg n GLY 78 Ca -0.01 -1.95 -0.39 0.00 0.00 0.00 0.00 46.02 43.67 1teg n GLY 78 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1teg s THR 79 N -1.43 4.86 -0.11 2.61 2.01 -1.26 -1.70 115.64 120.62 1teg s THR 79 Ca 0.00 1.26 0.03 0.00 0.31 0.00 0.00 61.69 63.29 1teg s THR 79 Cb 0.00 -3.93 -0.00 0.00 0.01 0.00 0.00 72.50 68.57 1teg s THR 79 CO 0.00 0.45 -0.21 -0.31 -0.69 0.00 0.00 174.62 173.86 1teg s TYR 80 N -0.38 2.64 -0.13 4.92 1.51 0.55 -3.71 117.35 122.75 1teg s TYR 80 Ca 0.31 -0.96 -0.06 0.00 -1.01 0.00 0.00 57.07 55.35 1teg s TYR 80 Cb -0.19 -1.76 -0.04 0.00 -0.11 0.00 0.00 41.96 39.86 1teg s TYR 80 CO 0.18 -0.38 0.09 0.21 -1.11 0.00 0.00 175.55 174.54 1teg s LYS 81 N 0.39 3.52 0.16 -0.62 2.20 0.12 -1.02 119.74 124.50 1teg s LYS 81 Ca -0.15 -0.24 0.00 0.00 -0.36 0.00 0.00 55.97 55.21 1teg s LYS 81 Cb -0.17 -3.13 -0.04 0.00 -1.51 0.00 0.00 37.83 32.98 1teg s LYS 81 CO 0.07 0.61 0.04 -0.59 -0.36 0.00 0.00 175.35 175.12 1teg s PHE 82 N -0.57 1.06 0.25 4.03 -0.12 0.15 -0.63 117.98 122.15 1teg s PHE 82 Ca 0.12 -1.15 -0.15 0.00 -0.05 0.00 0.00 56.93 55.69 1teg s PHE 82 Cb -0.12 -0.60 0.00 0.00 -0.63 0.00 0.00 43.02 41.68 1teg s PHE 82 CO 0.02 -0.39 0.54 1.52 -0.05 0.00 0.00 175.22 176.86 1teg s TYR 83 N -3.88 0.18 -0.28 3.49 1.13 0.34 -1.22 117.35 117.11 1teg s TYR 83 Ca 0.25 -0.56 -0.10 0.00 -1.41 0.00 0.00 57.07 55.25 1teg s TYR 83 Cb 0.07 0.33 -0.03 0.00 -1.10 0.00 0.00 41.96 41.23 1teg s TYR 83 CO 0.04 -1.04 0.15 0.00 -2.51 0.00 0.00 175.55 172.19 1teg h SER 85 N 8.34 -1.44 -0.10 0.00 0.02 -1.89 0.18 113.55 118.65 1teg h SER 85 Ca -0.35 0.18 0.03 0.00 -0.84 0.00 0.00 61.79 60.81 1teg h SER 85 Cb 1.17 0.57 -0.00 0.00 0.14 0.00 0.00 62.40 64.28 1teg h SER 85 CO 0.58 -0.38 0.10 1.55 -1.14 0.00 0.00 176.83 177.54 1teg h PRO 86 N -0.44 0.00 -0.09 3.45 0.13 -1.93 -3.16 132.00 129.96 1teg h PRO 86 Ca 0.03 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.16 1teg h PRO 86 Cb 0.54 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.67 1teg h PRO 86 CO -0.39 0.00 0.00 0.72 -0.23 0.00 0.00 178.00 178.10 1teg n HIS 87 N -3.99 0.11 -0.30 1.56 8.25 -0.91 -4.68 115.22 115.26 1teg n HIS 87 Ca -0.00 -0.23 0.08 0.00 -0.26 0.00 0.00 57.72 57.31 1teg n HIS 87 Cb 0.21 -0.02 0.30 0.00 1.12 0.00 0.00 29.99 31.60 1teg n HIS 87 CO 0.00 0.00 0.00 0.37 0.64 0.00 0.00 176.34 177.35 1teg h GLN 88 N 1.10 0.85 0.00 -0.41 4.15 -0.63 0.00 115.11 120.16 1teg h GLN 88 Ca 0.00 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.37 1teg h GLN 88 Cb 0.41 -0.19 0.00 0.00 0.21 0.00 0.00 27.48 27.91 1teg h GLN 88 CO 0.00 0.56 0.00 0.41 -1.93 0.00 0.00 178.83 177.87 1teg n GLY 89 N -1.40 -1.17 1.11 2.39 0.00 -1.26 -2.21 105.19 102.65 1teg n GLY 89 Ca 0.17 -0.06 0.08 0.00 0.00 0.00 0.00 46.02 46.21 1teg n GLY 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1teg n ALA 90 N -1.51 2.97 -0.44 4.61 0.00 -0.05 -4.96 120.51 121.13 1teg n ALA 90 Ca 0.05 -1.89 0.00 0.00 0.00 0.00 0.00 53.44 51.60 1teg n ALA 90 Cb 0.23 -0.77 0.00 0.00 0.00 0.00 0.00 19.45 18.91 1teg n ALA 90 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1teg n GLY 91 N 0.16 0.73 3.56 0.00 0.00 -0.94 -4.85 105.19 103.86 1teg n GLY 91 Ca 0.21 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.82 1teg n GLY 91 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1teg s MET 92 N -0.56 3.67 0.24 1.61 -2.45 -0.97 -4.88 119.30 115.96 1teg s MET 92 Ca 0.00 -1.31 -0.04 0.00 -1.25 0.00 0.00 55.69 53.08 1teg s MET 92 Cb 0.00 -5.39 -0.03 0.00 1.25 0.00 0.00 34.83 30.67 1teg s MET 92 CO 0.00 -2.21 0.27 0.14 1.05 0.00 0.00 175.02 174.27 1teg s VAL 93 N 4.77 0.00 -0.10 10.11 -7.23 -1.26 -2.59 120.40 124.11 1teg s VAL 93 Ca 0.47 -1.79 -0.31 0.00 -1.81 0.00 0.00 61.98 58.54 1teg s VAL 93 Cb 0.01 -2.42 0.11 0.00 0.56 0.00 0.00 36.38 34.63 1teg s VAL 93 CO -0.06 0.00 1.39 -0.83 -0.31 0.00 0.00 175.10 175.28 1teg s GLY 94 N -3.14 -0.26 0.01 2.32 0.00 -0.36 -4.65 107.32 101.25 1teg s GLY 94 Ca 0.33 0.26 -0.09 0.00 0.00 0.00 0.00 44.72 45.23 1teg s GLY 94 CO 0.13 6.28 0.17 -1.59 0.00 0.00 0.00 173.10 178.08 1teg s LYS 95 N -2.00 0.55 -0.04 2.90 -2.85 -0.41 -0.67 119.74 117.21 1teg s LYS 95 Ca 0.31 -0.43 0.02 0.00 -1.00 0.00 0.00 55.97 54.87 1teg s LYS 95 Cb 0.01 0.23 0.01 0.00 -2.06 0.00 0.00 37.83 36.02 1teg s LYS 95 CO -0.03 -0.14 -0.10 0.54 0.10 0.00 0.00 175.35 175.72 1teg s VAL 96 N -1.64 0.89 -0.17 1.79 0.11 -0.18 -2.40 120.40 118.80 1teg s VAL 96 Ca -0.13 -0.37 -0.05 0.00 -2.93 0.00 0.00 61.98 58.50 1teg s VAL 96 Cb -0.06 -0.82 -0.03 0.00 -1.53 0.00 0.00 36.38 33.94 1teg s VAL 96 CO 0.01 0.29 -0.01 -0.89 -3.33 0.00 0.00 175.10 171.16 1teg s THR 97 N 0.48 4.03 -0.21 5.04 2.01 -0.67 -0.33 115.64 125.99 1teg s THR 97 Ca -0.09 -0.30 -0.08 0.00 0.31 0.00 0.00 61.69 61.53 1teg s THR 97 Cb -0.12 -2.79 -0.04 0.00 0.01 0.00 0.00 72.50 69.56 1teg s THR 97 CO 0.02 0.47 0.09 -0.69 -0.69 0.00 0.00 174.62 173.82 1teg s VAL 98 N 0.54 4.84 0.00 3.82 1.01 -0.69 -1.53 120.40 128.39 1teg s VAL 98 Ca -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 61.98 61.96 1teg s VAL 98 Cb -0.14 -3.22 0.00 0.00 0.00 0.00 0.00 36.38 33.02 1teg s VAL 98 CO 0.02 0.41 0.17 -0.46 0.00 0.00 0.00 175.10 175.24