#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2otl h SER 2 N 0.00 0.00 -5.22 2.55 4.64 -2.04 -3.45 113.55 110.02 2otl h SER 2 Ca 0.00 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.26 2otl h SER 2 Cb 0.00 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 61.99 2otl h SER 2 CO 0.00 0.00 -0.13 -0.94 -0.87 0.00 0.00 176.83 174.89 2otl s SER 3 N -4.69 -0.10 -0.14 4.97 1.04 -1.26 -5.10 113.70 108.42 2otl s SER 3 Ca 0.07 -0.86 0.15 0.00 0.48 0.00 0.00 55.95 55.79 2otl s SER 3 Cb 0.10 0.57 0.40 0.00 0.10 0.00 0.00 66.02 67.19 2otl s SER 3 CO 0.52 -1.10 1.20 -3.20 0.98 0.00 0.00 173.24 171.64 2otl n ASN 4 N -0.35 1.52 -4.77 7.02 5.15 -1.26 -4.97 115.26 117.60 2otl n ASN 4 Ca -0.03 -3.30 -0.30 0.00 -0.60 0.00 0.00 54.58 50.34 2otl n ASN 4 Cb 0.62 -0.45 0.11 0.00 -0.53 0.00 0.00 39.78 39.53 2otl n ASN 4 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 2otl s GLY 5 N -2.83 1.62 0.46 8.20 0.00 -1.26 -4.95 107.32 108.56 2otl s GLY 5 Ca 0.36 -0.15 0.13 0.00 0.00 0.00 0.00 44.72 45.05 2otl s GLY 5 CO -0.09 0.31 2.08 -2.55 0.00 0.00 0.00 173.10 172.85 2otl h PRO 6 N -1.30 0.28 -0.64 2.90 0.11 -2.05 -2.55 132.00 128.75 2otl h PRO 6 Ca -0.48 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2otl h PRO 6 Cb 1.28 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2otl h PRO 6 CO 0.57 0.19 0.00 1.28 -0.21 0.00 0.00 178.00 179.83 2otl n LEU 7 N -4.49 3.50 -4.69 2.35 4.77 -1.26 -4.66 117.00 112.51 2otl n LEU 7 Ca 0.02 -1.77 -0.42 0.00 -0.03 0.00 0.00 56.01 53.81 2otl n LEU 7 Cb 0.15 -0.51 -0.03 0.00 -2.33 0.00 0.00 43.42 40.71 2otl n LEU 7 CO 0.35 0.55 1.07 -0.70 -1.33 0.00 0.00 177.39 177.33 2otl s GLU 8 N -1.85 4.31 -0.78 3.23 -6.30 -0.96 -2.86 118.70 113.49 2otl s GLU 8 Ca 0.34 1.92 0.00 0.00 -2.50 0.00 0.00 54.97 54.73 2otl s GLU 8 Cb 0.23 -3.52 0.00 0.00 0.00 0.00 0.00 34.13 30.84 2otl s GLU 8 CO 0.14 -0.52 0.00 0.41 0.02 0.00 0.00 175.26 175.32 2otl n GLY 9 N 3.56 0.07 0.62 -1.50 0.00 -1.26 -4.94 105.19 101.75 2otl n GLY 9 Ca 0.12 -0.52 0.05 0.00 0.00 0.00 0.00 46.02 45.68 2otl n GLY 9 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2otl n THR 10 N -3.92 1.04 -0.26 2.61 -2.24 -1.13 -4.69 114.28 105.68 2otl n THR 10 Ca -0.11 -1.03 0.07 0.00 -2.27 0.00 0.00 64.05 60.72 2otl n THR 10 Cb 0.56 0.48 0.21 0.00 -2.10 0.00 0.00 70.33 69.47 2otl n THR 10 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 2otl h ARG 11 N 1.94 0.29 0.00 -0.78 2.43 -1.92 -1.94 114.38 114.39 2otl h ARG 11 Ca 0.00 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 2otl h ARG 11 Cb 0.74 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.23 2otl h ARG 11 CO 0.01 0.19 0.00 0.41 -1.51 0.00 0.00 179.97 179.07 2otl n GLY 12 N -1.35 -1.44 0.43 2.80 0.00 -1.26 -3.67 105.19 100.69 2otl n GLY 12 Ca 0.16 0.00 0.25 0.00 0.00 0.00 0.00 46.02 46.42 2otl n GLY 12 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2otl h LYS 13 N 0.00 0.30 -0.78 1.61 2.10 -1.88 -1.84 116.57 116.08 2otl h LYS 13 Ca 0.00 -0.02 -0.22 0.00 -2.00 0.00 0.00 60.65 58.41 2otl h LYS 13 Cb 0.00 -0.07 -0.13 0.00 -0.90 0.00 0.00 32.23 31.13 2otl h LYS 13 CO 0.00 0.20 0.28 1.28 -2.00 0.00 0.00 179.45 179.21 2otl n LEU 14 N -4.52 5.96 -4.29 7.07 4.77 -0.74 -4.83 117.00 120.42 2otl n LEU 14 Ca 0.24 -3.10 -0.23 0.00 -0.03 0.00 0.00 56.01 52.89 2otl n LEU 14 Cb 0.92 -0.74 -0.12 0.00 -2.33 0.00 0.00 43.42 41.15 2otl n LEU 14 CO 0.29 0.79 -0.50 -0.75 -1.33 0.00 0.00 177.39 175.89 2otl s LYS 15 N -2.87 1.16 0.12 3.23 2.20 -0.69 -4.74 119.74 118.14 2otl s LYS 15 Ca 0.53 -1.23 0.02 0.00 -0.36 0.00 0.00 55.97 54.92 2otl s LYS 15 Cb 0.42 -1.34 -0.04 0.00 -1.51 0.00 0.00 37.83 35.36 2otl s LYS 15 CO 0.13 0.30 0.23 -0.80 -0.36 0.00 0.00 175.35 174.85 2otl s ASN 16 N -2.14 6.22 0.21 1.43 0.02 -1.26 -4.90 114.94 114.52 2otl s ASN 16 Ca 0.09 0.16 -0.30 0.00 -1.02 0.00 0.00 52.86 51.80 2otl s ASN 16 Cb -0.09 -1.86 -0.08 0.00 0.02 0.00 0.00 41.25 39.24 2otl s ASN 16 CO 0.05 0.10 1.19 -0.54 0.02 0.00 0.00 177.10 177.92 2otl s LYS 17 N -2.93 4.50 0.38 -0.60 3.01 -1.26 -4.88 119.74 117.96 2otl s LYS 17 Ca 0.34 1.90 0.32 0.00 -1.01 0.00 0.00 55.97 57.51 2otl s LYS 17 Cb -0.12 -3.22 1.23 0.00 -1.01 0.00 0.00 37.83 34.72 2otl s LYS 17 CO 0.27 -0.05 1.19 -2.30 0.51 0.00 0.00 175.35 174.97 2otl n PRO 18 N 2.17 -0.01 0.15 -1.68 -0.02 -1.26 0.22 135.00 134.57 2otl n PRO 18 Ca 0.03 0.89 0.08 0.00 -2.02 0.00 0.00 63.50 62.48 2otl n PRO 18 Cb 0.44 -1.89 0.06 0.00 -0.02 0.00 0.00 33.50 32.10 2otl n PRO 18 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2otl h ARG 19 N 0.00 0.00 -0.41 -0.52 3.08 -2.05 -3.24 114.38 111.24 2otl h ARG 19 Ca 0.69 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.74 2otl h ARG 19 Cb 2.53 0.00 0.00 0.00 0.08 0.00 0.00 29.97 32.58 2otl h ARG 19 CO -0.18 0.18 0.00 -0.25 -1.07 0.00 0.00 179.97 178.65 2otl n ASP 20 N -3.03 2.11 -4.10 7.04 8.00 0.13 -4.95 116.55 121.76 2otl n ASP 20 Ca 0.01 -2.04 -0.29 0.00 0.71 0.00 0.00 54.79 53.18 2otl n ASP 20 Cb 0.63 -0.28 0.23 0.00 -0.02 0.00 0.00 41.12 41.68 2otl n ASP 20 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2otl n ARG 21 N 0.56 -2.71 -1.45 -1.24 1.74 -1.22 -4.89 116.66 107.46 2otl n ARG 21 Ca 0.13 -0.78 0.19 0.00 -0.77 0.00 0.00 57.85 56.61 2otl n ARG 21 Cb 0.35 -1.90 -0.06 0.00 -1.02 0.00 0.00 32.46 29.83 2otl n ARG 21 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2otl n GLY 22 N 1.67 -2.38 3.65 -0.13 0.00 -1.26 -4.82 105.19 101.92 2otl n GLY 22 Ca 0.04 -1.12 -0.61 0.00 0.00 0.00 0.00 46.02 44.33 2otl n GLY 22 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2otl n THR 23 N -4.29 0.06 -1.83 2.61 -1.04 -1.26 -4.84 114.28 103.68 2otl n THR 23 Ca -0.02 -0.01 -0.32 0.00 -2.04 0.00 0.00 64.05 61.66 2otl n THR 23 Cb 0.67 -0.55 0.03 0.00 -1.82 0.00 0.00 70.33 68.65 2otl n THR 23 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 2otl s SER 24 N 1.97 5.68 0.43 8.00 0.01 -1.26 -5.00 113.70 123.53 2otl s SER 24 Ca 0.97 1.68 -0.25 0.00 1.31 0.00 0.00 55.95 59.66 2otl s SER 24 Cb -1.28 -2.51 -0.08 0.00 0.21 0.00 0.00 66.02 62.36 2otl s SER 24 CO 0.67 -1.24 1.36 -2.84 0.41 0.00 0.00 173.24 171.60 2otl s PRO 25 N -4.60 3.81 0.48 12.44 0.02 -1.26 -4.94 135.00 140.96 2otl s PRO 25 Ca 0.60 2.27 0.28 0.00 0.02 0.00 0.00 61.00 64.17 2otl s PRO 25 Cb -0.14 -2.69 1.03 0.00 0.02 0.00 0.00 34.50 32.72 2otl s PRO 25 CO 0.46 -0.66 1.86 -1.35 -0.33 0.00 0.00 177.00 176.98 2otl h PRO 26 N 2.47 0.00 -0.87 5.54 0.11 -2.00 -3.35 132.00 133.90 2otl h PRO 26 Ca -0.50 0.00 0.16 0.00 0.11 0.00 0.00 66.00 65.77 2otl h PRO 26 Cb 1.26 0.00 -0.10 0.00 0.11 0.00 0.00 31.00 32.27 2otl h PRO 26 CO 0.62 0.11 0.44 0.37 -0.21 0.00 0.00 178.00 179.33 2otl h GLN 27 N 0.00 0.57 0.00 1.05 5.75 -1.99 -1.01 115.11 119.47 2otl h GLN 27 Ca -0.00 -0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.46 2otl h GLN 27 Cb 0.69 -0.13 0.00 0.00 1.07 0.00 0.00 27.48 29.11 2otl h GLN 27 CO 0.01 0.37 -0.37 2.89 -2.65 0.00 0.00 178.83 179.09 2otl n ARG 28 N -4.90 0.05 0.01 1.69 1.85 -1.26 -2.65 116.66 111.46 2otl n ARG 28 Ca 0.18 0.02 0.13 0.00 -1.00 0.00 0.00 57.85 57.19 2otl n ARG 28 Cb 0.49 -1.54 0.43 0.00 -1.05 0.00 0.00 32.46 30.79 2otl n ARG 28 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2otl n ALA 29 N -1.56 2.84 0.03 2.89 0.00 -0.41 -2.98 120.51 121.32 2otl n ALA 29 Ca 0.06 -0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.30 2otl n ALA 29 Cb 0.36 -1.31 -0.00 0.00 0.00 0.00 0.00 19.45 18.49 2otl n ALA 29 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2otl n VAL 30 N -1.58 0.00 -1.55 0.00 0.31 -1.01 -4.39 118.33 110.10 2otl n VAL 30 Ca 0.06 -0.49 -0.46 0.00 -0.01 0.00 0.00 64.34 63.43 2otl n VAL 30 Cb 0.35 1.01 -0.02 0.00 -0.91 0.00 0.00 33.84 34.26 2otl n VAL 30 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 2otl n GLU 31 N -0.49 1.03 -4.00 5.55 4.07 -1.08 -4.97 120.64 120.75 2otl n GLU 31 Ca 0.00 0.36 -0.35 0.00 -0.06 0.00 0.00 57.16 57.11 2otl n GLU 31 Cb 0.01 -1.69 -0.08 0.00 -0.06 0.00 0.00 31.44 29.62 2otl n GLU 31 CO 0.00 0.00 0.00 -1.21 -0.06 0.00 0.00 177.13 175.86 2otl s GLU 32 N -1.18 3.67 0.03 5.31 0.41 -1.26 -4.83 118.70 120.86 2otl s GLU 32 Ca 0.63 -0.28 0.08 0.00 -0.41 0.00 0.00 54.97 55.00 2otl s GLU 32 Cb -0.78 -3.16 -0.03 0.00 -1.78 0.00 0.00 34.13 28.38 2otl s GLU 32 CO 0.58 0.50 -0.25 -0.06 -0.49 0.00 0.00 175.26 175.54 2otl s PHE 33 N -0.27 2.16 0.13 1.61 0.40 -1.26 -5.14 117.98 115.62 2otl s PHE 33 Ca 0.09 -0.40 0.01 0.00 -0.60 0.00 0.00 56.93 56.03 2otl s PHE 33 Cb -0.12 -1.31 -0.04 0.00 0.51 0.00 0.00 43.02 42.06 2otl s PHE 33 CO 0.01 0.09 0.28 -0.51 0.70 0.00 0.00 175.22 175.79 2otl s ASP 34 N -1.09 6.36 0.29 1.36 1.01 -1.26 -5.05 116.67 118.28 2otl s ASP 34 Ca 0.10 0.24 -0.30 0.00 0.71 0.00 0.00 52.55 53.31 2otl s ASP 34 Cb -0.10 -1.94 -0.12 0.00 1.01 0.00 0.00 42.92 41.77 2otl s ASP 34 CO 0.01 0.07 1.46 0.47 0.21 0.00 0.00 175.17 177.40 2otl n ASP 35 N -0.31 3.26 0.00 0.27 9.92 -1.26 -2.04 116.55 126.39 2otl n ASP 35 Ca -0.06 1.16 0.00 0.00 -0.53 0.00 0.00 54.79 55.36 2otl n ASP 35 Cb 0.53 -1.52 0.00 0.00 -0.64 0.00 0.00 41.12 39.49 2otl n ASP 35 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2otl n GLY 36 N 1.75 3.46 3.76 0.44 0.00 0.24 -4.97 105.19 109.88 2otl n GLY 36 Ca 0.08 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.70 2otl n GLY 36 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2otl s GLU 37 N -0.93 4.43 -0.03 1.61 2.02 -0.86 -4.67 118.70 120.27 2otl s GLU 37 Ca 0.00 1.98 -0.25 0.00 0.02 0.00 0.00 54.97 56.72 2otl s GLU 37 Cb 0.00 -3.05 -0.04 0.00 0.10 0.00 0.00 34.13 31.14 2otl s GLU 37 CO 0.00 -0.04 0.76 0.15 0.02 0.00 0.00 175.26 176.15 2otl s LYS 38 N -1.73 4.47 0.05 1.61 -0.14 -1.26 -1.27 119.74 121.47 2otl s LYS 38 Ca 0.48 1.01 0.05 0.00 -1.36 0.00 0.00 55.97 56.15 2otl s LYS 38 Cb -0.35 -3.43 -0.02 0.00 -1.68 0.00 0.00 37.83 32.35 2otl s LYS 38 CO 0.45 0.10 -0.13 0.14 -0.76 0.00 0.00 175.35 175.15 2otl s VAL 39 N 0.62 1.01 -0.25 3.17 -7.23 -0.87 -1.97 120.40 114.89 2otl s VAL 39 Ca 0.40 -1.12 -0.16 0.00 -1.81 0.00 0.00 61.98 59.28 2otl s VAL 39 Cb -0.19 -0.96 -0.03 0.00 0.56 0.00 0.00 36.38 35.75 2otl s VAL 39 CO 0.21 -0.15 0.44 -1.00 -0.31 0.00 0.00 175.10 174.29 2otl s HIS 40 N -1.08 3.28 -0.33 2.82 3.76 0.34 -1.73 115.29 122.35 2otl s HIS 40 Ca -0.02 0.54 -0.24 0.00 -0.15 0.00 0.00 55.06 55.20 2otl s HIS 40 Cb -0.09 -2.63 0.00 0.00 1.11 0.00 0.00 32.58 30.98 2otl s HIS 40 CO 0.02 -0.21 0.80 -0.51 -0.85 0.00 0.00 174.74 173.98 2otl s LEU 41 N 2.03 4.09 -0.23 0.89 1.02 -0.34 -2.42 118.68 123.72 2otl s LEU 41 Ca 0.18 0.58 -0.05 0.00 0.02 0.00 0.00 54.13 54.86 2otl s LEU 41 Cb -0.16 -3.08 0.12 0.00 0.02 0.00 0.00 46.19 43.09 2otl s LEU 41 CO 0.09 -0.66 0.43 -0.75 0.02 0.00 0.00 176.35 175.48 2otl s LYS 42 N 3.03 0.36 0.18 1.70 2.47 -0.87 -1.10 119.74 125.52 2otl s LYS 42 Ca 0.33 0.87 -0.31 0.00 -1.56 0.00 0.00 55.97 55.30 2otl s LYS 42 Cb -0.14 0.08 -0.09 0.00 -1.46 0.00 0.00 37.83 36.22 2otl s LYS 42 CO 0.14 -0.42 1.45 0.42 0.16 0.00 0.00 175.35 177.10 2otl s ILE 43 N 2.62 2.89 -0.35 5.43 1.01 -1.26 -4.41 121.20 127.12 2otl s ILE 43 Ca 0.05 0.67 -0.23 0.00 0.00 0.00 0.00 60.65 61.14 2otl s ILE 43 Cb -0.14 -3.43 0.01 0.00 0.01 0.00 0.00 42.46 38.91 2otl s ILE 43 CO -0.15 0.07 0.79 -0.62 0.00 0.00 0.00 174.94 175.04 2otl s ASP 44 N 0.82 6.58 0.63 3.58 -1.08 -1.26 -4.93 116.67 121.01 2otl s ASP 44 Ca 0.64 0.42 0.29 0.00 -0.52 0.00 0.00 52.55 53.38 2otl s ASP 44 Cb -0.40 -2.40 1.58 0.00 -1.46 0.00 0.00 42.92 40.24 2otl s ASP 44 CO 0.35 -0.72 1.93 -0.65 0.52 0.00 0.00 175.17 176.61 2otl h PRO 45 N 8.42 0.00 0.00 4.34 0.11 -1.88 -2.11 132.00 140.88 2otl h PRO 45 Ca -0.25 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.86 2otl h PRO 45 Cb 1.09 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.20 2otl h PRO 45 CO 0.91 0.00 -0.82 0.77 -0.21 0.00 0.00 178.00 178.65 2otl h SER 46 N 0.00 0.00 -3.41 -2.05 0.02 -1.91 -3.44 113.55 102.75 2otl h SER 46 Ca 0.08 -0.02 -0.73 0.00 -0.84 0.00 0.00 61.79 60.29 2otl h SER 46 Cb 0.82 0.00 -0.23 0.00 0.14 0.00 0.00 62.40 63.13 2otl h SER 46 CO -0.00 0.01 -0.40 -0.69 -1.14 0.00 0.00 176.83 174.61 2otl s VAL 47 N -3.33 5.03 0.10 2.27 1.01 -0.79 -4.78 120.40 119.91 2otl s VAL 47 Ca 0.01 -0.97 -0.28 0.00 0.00 0.00 0.00 61.98 60.74 2otl s VAL 47 Cb 0.09 -3.93 -0.12 0.00 0.00 0.00 0.00 36.38 32.42 2otl s VAL 47 CO 0.77 -0.45 1.65 -0.65 0.00 0.00 0.00 175.10 176.41 2otl h PRO 48 N 8.64 -0.50 -7.57 2.72 0.11 -1.86 -3.45 132.00 130.09 2otl h PRO 48 Ca -0.27 0.03 -0.46 0.00 0.11 0.00 0.00 66.00 65.42 2otl h PRO 48 Cb 1.11 0.11 0.13 0.00 0.11 0.00 0.00 31.00 32.46 2otl h PRO 48 CO 0.80 -0.34 0.34 -0.80 -0.21 0.00 0.00 178.00 177.79 2otl s ASN 49 N -4.76 3.58 0.00 -2.05 0.01 -1.26 -4.30 114.94 106.17 2otl s ASN 49 Ca -0.16 0.79 0.00 0.00 -0.71 0.00 0.00 52.86 52.78 2otl s ASN 49 Cb 0.07 -1.24 0.00 0.00 0.41 0.00 0.00 41.25 40.48 2otl s ASN 49 CO 0.64 -2.49 0.00 0.61 -1.51 0.00 0.00 177.10 174.36 2otl n GLY 50 N -2.68 0.38 3.72 0.66 0.00 -1.26 -4.91 105.19 101.10 2otl n GLY 50 Ca 0.09 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.80 2otl n GLY 50 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2otl s ARG 51 N -0.72 1.62 0.52 1.61 0.52 -1.26 -2.72 118.95 118.52 2otl s ARG 51 Ca 0.00 1.13 0.01 0.00 -0.52 0.00 0.00 55.73 56.35 2otl s ARG 51 Cb 0.00 -1.83 -0.00 0.00 0.52 0.00 0.00 34.95 33.64 2otl s ARG 51 CO 0.00 -2.08 0.02 -0.59 0.02 0.00 0.00 175.30 172.67 2otl s PHE 52 N -2.85 1.79 0.02 -0.53 -0.12 -1.26 -4.83 117.98 110.20 2otl s PHE 52 Ca 0.63 -0.98 -0.30 0.00 -0.05 0.00 0.00 56.93 56.23 2otl s PHE 52 Cb -0.19 -1.61 -0.06 0.00 -0.63 0.00 0.00 43.02 40.53 2otl s PHE 52 CO 0.57 0.17 1.45 -1.58 -0.05 0.00 0.00 175.22 175.78 2otl s HIS 53 N -2.89 2.78 0.45 3.49 5.65 -1.26 -4.88 115.29 118.63 2otl s HIS 53 Ca 0.04 0.72 0.33 0.00 0.25 0.00 0.00 55.06 56.41 2otl s HIS 53 Cb 0.01 -3.73 1.49 0.00 -1.18 0.00 0.00 32.58 29.17 2otl s HIS 53 CO 0.02 -2.74 1.59 -1.35 -0.65 0.00 0.00 174.74 171.62 2otl h PRO 54 N 7.88 0.03 -0.14 2.88 0.11 -1.99 0.43 132.00 141.20 2otl h PRO 54 Ca -0.39 -0.00 0.04 0.00 0.11 0.00 0.00 66.00 65.76 2otl h PRO 54 Cb 1.18 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 2otl h PRO 54 CO 0.91 0.02 0.37 0.00 -0.21 0.00 0.00 178.00 179.09 2otl h ARG 55 N 0.03 0.00 -0.01 1.05 3.08 -1.89 0.22 114.38 116.85 2otl h ARG 55 Ca 0.87 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.92 2otl h ARG 55 Cb 2.82 0.00 0.00 0.00 0.08 0.00 0.00 29.97 32.87 2otl h ARG 55 CO -0.42 0.00 -0.16 1.19 -1.07 0.00 0.00 179.97 179.51 2otl n PHE 56 N -3.19 0.00 -1.74 3.04 3.72 0.14 -4.90 117.46 114.53 2otl n PHE 56 Ca 0.01 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.99 2otl n PHE 56 Cb 0.47 -0.08 -0.02 0.00 -0.94 0.00 0.00 39.48 38.91 2otl n PHE 56 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 2otl n ASP 57 N -0.38 3.82 0.00 4.37 8.00 0.06 -1.59 116.55 130.83 2otl n ASP 57 Ca 0.15 1.14 0.00 0.00 0.71 0.00 0.00 54.79 56.79 2otl n ASP 57 Cb 0.35 -1.58 0.00 0.00 -0.02 0.00 0.00 41.12 39.86 2otl n ASP 57 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2otl n GLY 58 N 2.32 2.90 3.70 0.44 0.00 -0.26 -5.03 105.19 109.26 2otl n GLY 58 Ca 0.09 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.79 2otl n GLY 58 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2otl s GLN 59 N -0.50 1.43 -0.33 1.61 -1.52 -0.62 -4.79 119.66 114.93 2otl s GLN 59 Ca 0.00 1.58 -0.01 0.00 -1.95 0.00 0.00 55.36 54.98 2otl s GLN 59 Cb 0.00 -1.77 0.11 0.00 -0.22 0.00 0.00 33.01 31.13 2otl s GLN 59 CO 0.00 -2.34 0.15 0.99 -0.25 0.00 0.00 175.29 173.85 2otl s THR 60 N -2.48 0.57 0.00 -0.19 2.01 -1.26 -1.20 115.64 113.09 2otl s THR 60 Ca 0.69 -1.48 0.00 0.00 0.31 0.00 0.00 61.69 61.20 2otl s THR 60 Cb -0.24 -1.43 0.00 0.00 0.01 0.00 0.00 72.50 70.84 2otl s THR 60 CO 0.54 -0.79 0.00 0.61 -0.69 0.00 0.00 174.62 174.30 2otl n GLY 61 N 4.58 1.85 2.96 4.40 0.00 -0.70 -4.86 105.19 113.42 2otl n GLY 61 Ca 0.01 -2.07 -0.25 0.00 0.00 0.00 0.00 46.02 43.71 2otl n GLY 61 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2otl s THR 62 N 1.52 1.06 0.01 2.61 2.01 -0.73 -2.05 115.64 120.07 2otl s THR 62 Ca 0.00 -0.37 -0.30 0.00 0.31 0.00 0.00 61.69 61.32 2otl s THR 62 Cb 0.00 -1.02 -0.06 0.00 0.01 0.00 0.00 72.50 71.43 2otl s THR 62 CO 0.00 0.35 1.55 -0.69 -0.69 0.00 0.00 174.62 175.15 2otl s VAL 63 N 1.15 3.45 -0.26 3.82 1.01 -0.40 -0.97 120.40 128.20 2otl s VAL 63 Ca -0.05 0.78 0.13 0.00 0.00 0.00 0.00 61.98 62.84 2otl s VAL 63 Cb -0.14 -3.50 0.47 0.00 0.00 0.00 0.00 36.38 33.20 2otl s VAL 63 CO -0.02 -0.02 1.17 -0.62 0.00 0.00 0.00 175.10 175.61 2otl n GLU 64 N 5.94 2.64 0.00 2.72 -0.58 -0.38 0.80 120.64 131.78 2otl n GLU 64 Ca 0.15 -3.76 0.00 0.00 -0.42 0.00 0.00 57.16 53.13 2otl n GLU 64 Cb 0.42 -1.88 0.00 0.00 -0.57 0.00 0.00 31.44 29.41 2otl n GLU 64 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2otl n GLY 65 N -0.65 1.13 3.24 0.62 0.00 -1.25 -4.94 105.19 103.34 2otl n GLY 65 Ca 0.28 -2.26 -0.13 0.00 0.00 0.00 0.00 46.02 43.90 2otl n GLY 65 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2otl s LYS 66 N -1.13 1.25 -0.30 1.61 -2.85 -1.26 -1.32 119.74 115.74 2otl s LYS 66 Ca 0.00 -1.66 -0.02 0.00 -1.00 0.00 0.00 55.97 53.29 2otl s LYS 66 Cb 0.00 0.06 0.10 0.00 -2.06 0.00 0.00 37.83 35.93 2otl s LYS 66 CO 0.00 -0.34 0.11 -1.14 0.10 0.00 0.00 175.35 174.09 2otl s GLN 67 N -4.10 0.47 6.52 1.78 0.74 0.09 -4.83 119.66 120.34 2otl s GLN 67 Ca 0.37 -0.82 0.00 0.00 0.05 0.00 0.00 55.36 54.96 2otl s GLN 67 Cb 0.07 -1.62 0.00 0.00 1.10 0.00 0.00 33.01 32.57 2otl s GLN 67 CO 0.11 -1.00 0.00 0.41 -0.55 0.00 0.00 175.29 174.27 2otl n GLY 68 N 5.03 1.43 0.10 2.59 0.00 -1.26 -2.67 105.19 110.40 2otl n GLY 68 Ca -0.04 -0.51 -0.02 0.00 0.00 0.00 0.00 46.02 45.45 2otl n GLY 68 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2otl h ASP 69 N 0.84 0.00 -4.20 1.61 3.32 -2.00 -3.47 116.42 112.52 2otl h ASP 69 Ca 0.00 0.00 -0.50 0.00 0.02 0.00 0.00 57.03 56.55 2otl h ASP 69 Cb 0.00 0.00 0.09 0.00 0.22 0.00 0.00 39.33 39.64 2otl h ASP 69 CO 0.00 0.67 0.38 0.00 -1.72 0.00 0.00 179.24 178.57 2otl s ALA 70 N -2.85 2.55 0.16 3.45 0.00 -1.09 -4.77 121.76 119.21 2otl s ALA 70 Ca -0.02 0.51 0.03 0.00 0.00 0.00 0.00 51.96 52.48 2otl s ALA 70 Cb 0.08 -3.30 -0.03 0.00 0.00 0.00 0.00 23.12 19.87 2otl s ALA 70 CO 0.81 -1.13 0.30 0.71 0.00 0.00 0.00 175.76 176.45 2otl s TYR 71 N -2.35 3.48 -0.36 0.00 1.51 0.14 -0.73 117.35 119.04 2otl s TYR 71 Ca 0.66 0.11 -0.05 0.00 -1.01 0.00 0.00 57.07 56.79 2otl s TYR 71 Cb -0.19 -1.66 0.07 0.00 -0.11 0.00 0.00 41.96 40.06 2otl s TYR 71 CO 0.40 0.50 0.14 0.15 -1.11 0.00 0.00 175.55 175.62 2otl s LYS 72 N -3.34 2.40 -0.19 -0.62 1.02 -0.43 -0.25 119.74 118.32 2otl s LYS 72 Ca 0.35 -1.43 -0.05 0.00 0.02 0.00 0.00 55.97 54.86 2otl s LYS 72 Cb -0.11 -3.49 -0.03 0.00 -0.52 0.00 0.00 37.83 33.69 2otl s LYS 72 CO 0.29 -0.82 -0.01 0.08 -0.92 0.00 0.00 175.35 173.97 2otl s VAL 73 N 1.30 3.97 -0.20 3.17 1.01 0.09 -1.25 120.40 128.48 2otl s VAL 73 Ca 0.01 -0.31 -0.23 0.00 0.00 0.00 0.00 61.98 61.45 2otl s VAL 73 Cb -0.21 -2.78 -0.02 0.00 0.00 0.00 0.00 36.38 33.37 2otl s VAL 73 CO -0.00 0.44 0.72 -1.81 0.00 0.00 0.00 175.10 174.45 2otl s ASP 74 N 0.85 6.77 0.48 3.32 1.01 -0.15 0.11 116.67 129.06 2otl s ASP 74 Ca 0.01 0.94 0.02 0.00 0.71 0.00 0.00 52.55 54.23 2otl s ASP 74 Cb -0.14 -2.39 -0.02 0.00 1.01 0.00 0.00 42.92 41.38 2otl s ASP 74 CO 0.02 -0.36 0.05 0.27 0.21 0.00 0.00 175.17 175.35 2otl s ILE 75 N 2.21 0.96 -0.19 0.77 -4.36 0.65 -1.78 121.20 119.46 2otl s ILE 75 Ca 0.32 -2.00 -0.02 0.00 -0.26 0.00 0.00 60.65 58.69 2otl s ILE 75 Cb -0.16 -2.22 0.06 0.00 1.25 0.00 0.00 42.46 41.39 2otl s ILE 75 CO 0.10 0.00 0.01 -0.69 0.24 0.00 0.00 174.94 174.60 2otl s VAL 76 N -2.98 0.75 -0.62 8.37 1.01 -1.26 -1.24 120.40 124.42 2otl s VAL 76 Ca 0.11 -0.66 -0.21 0.00 0.00 0.00 0.00 61.98 61.22 2otl s VAL 76 Cb 0.02 -1.17 0.08 0.00 0.00 0.00 0.00 36.38 35.30 2otl s VAL 76 CO 0.07 -0.15 0.86 -0.62 0.00 0.00 0.00 175.10 175.26 2otl s ASP 77 N 1.76 6.19 1.47 3.32 -1.08 0.18 -4.82 116.67 123.69 2otl s ASP 77 Ca -0.02 -1.08 0.00 0.00 -0.52 0.00 0.00 52.55 50.93 2otl s ASP 77 Cb -0.17 -2.37 0.00 0.00 -1.46 0.00 0.00 42.92 38.91 2otl s ASP 77 CO -0.07 -1.29 0.00 0.61 0.52 0.00 0.00 175.17 174.94 2otl n GLY 78 N 5.29 1.47 0.38 2.66 0.00 -1.26 -0.74 105.19 112.98 2otl n GLY 78 Ca -0.05 0.09 0.04 0.00 0.00 0.00 0.00 46.02 46.09 2otl n GLY 78 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2otl n GLY 79 N 0.00 3.13 3.46 -0.02 0.00 -1.26 -4.99 105.19 105.52 2otl n GLY 79 Ca 0.00 -0.35 -0.35 0.00 0.00 0.00 0.00 46.02 45.32 2otl n GLY 79 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2otl s LYS 80 N -1.31 3.64 0.20 1.61 2.20 0.08 -5.08 119.74 121.07 2otl s LYS 80 Ca 0.17 -0.51 -0.30 0.00 -0.36 0.00 0.00 55.97 54.97 2otl s LYS 80 Cb 0.11 -3.06 -0.08 0.00 -1.51 0.00 0.00 37.83 33.28 2otl s LYS 80 CO 0.08 0.05 1.14 -1.21 -0.36 0.00 0.00 175.35 175.05 2otl s GLU 81 N 0.89 4.56 -0.00 4.03 2.02 -1.26 0.49 118.70 129.43 2otl s GLU 81 Ca 0.01 1.80 -0.05 0.00 0.02 0.00 0.00 54.97 56.74 2otl s GLU 81 Cb -0.14 -3.24 -0.00 0.00 0.10 0.00 0.00 34.13 30.84 2otl s GLU 81 CO 0.02 0.04 0.10 0.15 0.02 0.00 0.00 175.26 175.59 2otl s LYS 82 N -0.54 0.40 -0.18 1.61 1.02 -0.37 -4.90 119.74 116.76 2otl s LYS 82 Ca 0.50 -0.36 -0.06 0.00 0.02 0.00 0.00 55.97 56.07 2otl s LYS 82 Cb -0.31 0.16 -0.03 0.00 -0.52 0.00 0.00 37.83 37.13 2otl s LYS 82 CO 0.37 -0.09 0.02 0.99 -0.92 0.00 0.00 175.35 175.72 2otl s THR 83 N -1.19 4.30 -0.19 2.17 2.01 -1.26 -0.25 115.64 121.23 2otl s THR 83 Ca -0.13 -0.20 -0.01 0.00 0.31 0.00 0.00 61.69 61.65 2otl s THR 83 Cb -0.07 -2.93 -0.00 0.00 0.01 0.00 0.00 72.50 69.51 2otl s THR 83 CO 0.01 0.45 -0.11 -0.63 -0.69 0.00 0.00 174.62 173.65 2otl s ILE 84 N 0.60 2.87 -0.37 1.82 1.01 0.12 -4.91 121.20 122.34 2otl s ILE 84 Ca 0.01 -0.68 -0.28 0.00 0.00 0.00 0.00 60.65 59.70 2otl s ILE 84 Cb -0.14 -2.26 0.02 0.00 0.01 0.00 0.00 42.46 40.10 2otl s ILE 84 CO 0.02 0.48 1.06 -0.63 0.00 0.00 0.00 174.94 175.87 2otl s ILE 85 N 1.16 4.45 -0.16 2.92 -1.09 -1.26 -0.73 121.20 126.49 2otl s ILE 85 Ca 0.01 1.48 -0.17 0.00 -2.23 0.00 0.00 60.65 59.74 2otl s ILE 85 Cb -0.14 -4.45 0.05 0.00 -1.58 0.00 0.00 42.46 36.34 2otl s ILE 85 CO -0.04 -0.63 0.47 0.54 -1.23 0.00 0.00 174.94 174.05 2otl s VAL 86 N 3.82 0.01 0.76 2.92 0.11 0.65 -4.59 120.40 124.07 2otl s VAL 86 Ca 0.44 -0.05 -0.11 0.00 -2.93 0.00 0.00 61.98 59.34 2otl s VAL 86 Cb -0.11 -0.68 0.06 0.00 -1.53 0.00 0.00 36.38 34.12 2otl s VAL 86 CO 0.20 -0.03 1.12 0.42 -3.33 0.00 0.00 175.10 173.48 2otl s THR 87 N 0.00 2.47 0.24 5.04 -4.23 -1.10 0.25 115.64 118.31 2otl s THR 87 Ca -0.02 0.06 -0.07 0.00 -1.18 0.00 0.00 61.69 60.48 2otl s THR 87 Cb -0.03 -3.13 0.22 0.00 1.34 0.00 0.00 72.50 70.90 2otl s THR 87 CO 0.02 -0.17 1.91 0.00 -0.54 0.00 0.00 174.62 175.84 2otl h ALA 88 N -0.84 1.17 -1.40 3.99 0.00 -1.83 -2.89 119.26 117.45 2otl h ALA 88 Ca -0.45 -0.06 0.42 0.00 0.00 0.00 0.00 54.91 54.81 2otl h ALA 88 Cb 1.31 -0.36 -0.09 0.00 0.00 0.00 0.00 17.79 18.65 2otl h ALA 88 CO 0.64 0.53 0.97 0.00 0.00 0.00 0.00 179.25 181.39 2otl h ALA 89 N 1.34 3.07 -0.56 0.00 0.00 -1.74 0.57 119.26 121.95 2otl h ALA 89 Ca 0.34 0.01 -0.10 0.00 0.00 0.00 0.00 54.91 55.16 2otl h ALA 89 Cb -0.11 0.13 -0.06 0.00 0.00 0.00 0.00 17.79 17.75 2otl h ALA 89 CO -0.08 -1.56 0.11 0.72 0.00 0.00 0.00 179.25 178.43 2otl n HIS 90 N -4.33 1.93 -4.22 0.00 -0.00 -1.09 -4.62 115.22 102.89 2otl n HIS 90 Ca 0.34 -1.02 -0.18 0.00 -0.00 0.00 0.00 57.72 56.85 2otl n HIS 90 Cb 1.44 -0.54 -0.12 0.00 -0.00 0.00 0.00 29.99 30.76 2otl n HIS 90 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 2otl s LEU 91 N -2.92 2.23 -0.01 2.41 1.43 0.20 -2.04 118.68 119.98 2otl s LEU 91 Ca 0.52 -0.54 0.02 0.00 -1.03 0.00 0.00 54.13 53.10 2otl s LEU 91 Cb 0.41 -0.51 -0.00 0.00 0.03 0.00 0.00 46.19 46.12 2otl s LEU 91 CO 0.12 -0.05 -0.07 -0.13 0.23 0.00 0.00 176.35 176.45 2otl s ARG 92 N -1.48 0.67 0.14 1.70 1.81 -1.02 -4.94 118.95 115.83 2otl s ARG 92 Ca -0.01 -0.26 -0.31 0.00 -1.72 0.00 0.00 55.73 53.43 2otl s ARG 92 Cb -0.09 -0.64 -0.08 0.00 -0.45 0.00 0.00 34.95 33.68 2otl s ARG 92 CO 0.02 0.14 1.39 0.50 -0.68 0.00 0.00 175.30 176.67 2otl s ARG 93 N -0.05 4.32 0.29 3.54 3.52 -1.26 -0.50 118.95 128.81 2otl s ARG 93 Ca 0.01 2.11 -0.29 0.00 -0.13 0.00 0.00 55.73 57.43 2otl s ARG 93 Cb -0.05 -3.22 -0.10 0.00 -1.56 0.00 0.00 34.95 30.03 2otl s ARG 93 CO -0.00 -0.42 1.21 -1.14 -0.81 0.00 0.00 175.30 174.14 2otl s GLN 94 N 0.81 4.49 0.00 5.12 0.74 -0.83 -4.86 119.66 125.13 2otl s GLN 94 Ca 0.63 2.01 0.00 0.00 0.05 0.00 0.00 55.36 58.05 2otl s GLN 94 Cb -0.38 -3.14 0.00 0.00 1.10 0.00 0.00 33.01 30.59 2otl s GLN 94 CO 0.32 -0.01 0.00 0.39 -0.55 0.00 0.00 175.29 175.44