#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d8y s SER 2 N 0.00 -0.49 0.12 1.61 0.15 -1.26 -5.18 113.70 108.65 2d8y s SER 2 Ca 0.00 0.81 -0.09 0.00 0.70 0.00 0.00 55.95 57.37 2d8y s SER 2 Cb 0.00 0.78 -0.00 0.00 -1.71 0.00 0.00 66.02 65.09 2d8y s SER 2 CO 0.00 -0.25 0.25 -0.94 1.20 0.00 0.00 173.24 173.49 2d8y s SER 3 N -0.22 0.06 -0.17 5.45 1.04 -1.26 -5.15 113.70 113.44 2d8y s SER 3 Ca 0.00 -0.71 -0.05 0.00 0.48 0.00 0.00 55.95 55.67 2d8y s SER 3 Cb -0.03 0.39 0.06 0.00 0.10 0.00 0.00 66.02 66.54 2d8y s SER 3 CO -0.02 -0.81 0.08 -0.83 0.98 0.00 0.00 173.24 172.65 2d8y s GLY 4 N -2.90 0.39 -0.06 7.32 0.00 -1.26 -5.13 107.32 105.68 2d8y s GLY 4 Ca 0.10 -0.35 0.01 0.00 0.00 0.00 0.00 44.72 44.48 2d8y s GLY 4 CO -0.07 1.70 -0.06 -0.45 0.00 0.00 0.00 173.10 174.22 2d8y s SER 5 N 2.11 4.71 0.32 1.64 0.15 -1.26 -5.11 113.70 116.26 2d8y s SER 5 Ca 0.02 -0.01 -0.17 0.00 0.70 0.00 0.00 55.95 56.49 2d8y s SER 5 Cb -0.16 -1.20 0.03 0.00 -1.71 0.00 0.00 66.02 62.98 2d8y s SER 5 CO -0.09 0.36 0.70 -0.44 1.20 0.00 0.00 173.24 174.97 2d8y s SER 6 N -0.88 -0.06 0.00 5.45 0.01 -1.26 -5.15 113.70 111.82 2d8y s SER 6 Ca 0.13 -0.92 0.00 0.00 1.31 0.00 0.00 55.95 56.47 2d8y s SER 6 Cb -0.11 0.76 0.00 0.00 0.21 0.00 0.00 66.02 66.88 2d8y s SER 6 CO 0.02 -1.46 0.00 0.61 0.41 0.00 0.00 173.24 172.82 2d8y n GLY 7 N -0.49 -0.85 3.29 3.44 0.00 -1.26 -5.18 105.19 104.14 2d8y n GLY 7 Ca -0.05 0.80 -0.20 0.00 0.00 0.00 0.00 46.02 46.57 2d8y n GLY 7 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2d8y s MET 8 N 0.00 1.15 0.72 1.61 1.00 -1.26 -5.13 119.30 117.40 2d8y s MET 8 Ca 0.00 -1.32 -0.16 0.00 0.00 0.00 0.00 55.69 54.20 2d8y s MET 8 Cb 0.00 -1.11 -0.03 0.00 0.00 0.00 0.00 34.83 33.69 2d8y s MET 8 CO 0.00 0.22 0.56 0.36 0.00 0.00 0.00 175.02 176.16 2d8y n LYS 9 N 0.41 0.30 -3.58 2.03 2.85 -1.26 -5.02 118.16 113.89 2d8y n LYS 9 Ca -0.14 0.14 -0.10 0.00 -1.05 0.00 0.00 58.31 57.16 2d8y n LYS 9 Cb 0.57 -1.85 -0.05 0.00 -0.65 0.00 0.00 35.03 33.05 2d8y n LYS 9 CO 0.00 0.00 0.00 -0.59 -0.05 0.00 0.00 177.40 176.76 2d8y s PHE 10 N -1.92 -0.34 -0.33 5.58 -0.12 -1.26 -5.13 117.98 114.47 2d8y s PHE 10 Ca 0.66 0.57 -0.29 0.00 -0.05 0.00 0.00 56.93 57.82 2d8y s PHE 10 Cb -0.35 0.46 0.02 0.00 -0.63 0.00 0.00 43.02 42.52 2d8y s PHE 10 CO 0.58 -0.32 1.11 -0.65 -0.05 0.00 0.00 175.22 175.88 2d8y s GLN 11 N -1.16 4.02 0.13 1.99 1.11 -1.26 -4.93 119.66 119.56 2d8y s GLN 11 Ca -0.01 1.05 -0.24 0.00 0.01 0.00 0.00 55.36 56.18 2d8y s GLN 11 Cb -0.01 -3.77 -0.03 0.00 -1.01 0.00 0.00 33.01 28.20 2d8y s GLN 11 CO 0.00 -0.96 1.24 0.00 0.01 0.00 0.00 175.29 175.58 2d8y n ALA 12 N 7.02 -0.48 -2.11 6.09 0.00 -1.26 -4.03 120.51 125.75 2d8y n ALA 12 Ca 0.12 0.70 -0.43 0.00 0.00 0.00 0.00 53.44 53.83 2d8y n ALA 12 Cb 0.47 -0.14 -0.03 0.00 0.00 0.00 0.00 19.45 19.76 2d8y n ALA 12 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2d8y s PRO 13 N -5.44 3.66 -0.51 0.00 0.04 -1.26 -4.87 135.00 126.63 2d8y s PRO 13 Ca -0.10 1.54 -0.38 0.00 0.04 0.00 0.00 61.00 62.10 2d8y s PRO 13 Cb 0.10 -4.07 -0.18 0.00 0.04 0.00 0.00 34.50 30.39 2d8y s PRO 13 CO 0.51 -1.46 2.00 0.00 0.04 0.00 0.00 177.00 178.09 2d8y n ALA 14 N 8.93 0.21 -1.96 8.56 0.00 -1.26 -4.89 120.51 130.10 2d8y n ALA 14 Ca 0.20 0.12 -0.27 0.00 0.00 0.00 0.00 53.44 53.48 2d8y n ALA 14 Cb 0.46 -1.90 0.16 0.00 0.00 0.00 0.00 19.45 18.17 2d8y n ALA 14 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 2d8y s ARG 15 N 5.78 0.93 0.06 0.00 3.03 -1.26 -5.08 118.95 122.40 2d8y s ARG 15 Ca 1.10 -0.79 -0.07 0.00 2.03 0.00 0.00 55.73 58.01 2d8y s ARG 15 Cb -1.33 -2.04 -0.05 0.00 -1.03 0.00 0.00 34.95 30.50 2d8y s ARG 15 CO 0.58 -2.10 0.32 -1.21 -1.13 0.00 0.00 175.30 171.75 2d8y s GLU 16 N -5.61 3.63 0.05 3.89 8.01 -1.26 -5.05 118.70 122.36 2d8y s GLU 16 Ca 0.72 -0.02 0.05 0.00 0.01 0.00 0.00 54.97 55.73 2d8y s GLU 16 Cb -0.04 -3.01 -0.02 0.00 -4.31 0.00 0.00 34.13 26.75 2d8y s GLU 16 CO 0.50 0.59 -0.15 0.99 0.01 0.00 0.00 175.26 177.20 2d8y s THR 17 N -1.40 1.19 0.03 3.63 2.01 -1.26 -1.32 115.64 118.52 2d8y s THR 17 Ca 0.32 -1.11 -0.30 0.00 0.31 0.00 0.00 61.69 60.91 2d8y s THR 17 Cb -0.13 -1.09 -0.05 0.00 0.01 0.00 0.00 72.50 71.24 2d8y s THR 17 CO 0.19 -0.03 1.23 0.00 -0.69 0.00 0.00 174.62 175.32 2d8y n VAL 19 N 4.16 0.43 -0.02 0.00 0.24 -1.11 -0.83 118.33 121.20 2d8y n VAL 19 Ca 0.10 -0.27 -0.07 0.00 -2.04 0.00 0.00 64.34 62.07 2d8y n VAL 19 Cb 0.46 -0.19 -0.02 0.00 -1.47 0.00 0.00 33.84 32.62 2d8y n VAL 19 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2d8y n GLU 20 N 0.06 0.16 -0.00 7.34 -0.58 -1.26 -4.82 120.64 121.54 2d8y n GLU 20 Ca 0.06 0.07 0.06 0.00 -0.42 0.00 0.00 57.16 56.93 2d8y n GLU 20 Cb 0.31 -0.78 -0.09 0.00 -0.57 0.00 0.00 31.44 30.31 2d8y n GLU 20 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2d8y n GLN 22 N -1.70 -3.07 -5.13 0.00 1.13 -0.01 -5.02 117.38 103.59 2d8y n GLN 22 Ca -0.00 0.37 -0.30 0.00 -1.94 0.00 0.00 57.00 55.13 2d8y n GLN 22 Cb 0.29 -3.98 -0.16 0.00 0.11 0.00 0.00 30.24 26.49 2d8y n GLN 22 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 2d8y s LYS 23 N -4.87 2.32 -0.90 -1.09 3.01 -1.25 -4.81 119.74 112.13 2d8y s LYS 23 Ca 0.07 -0.81 -0.31 0.00 -1.01 0.00 0.00 55.97 53.91 2d8y s LYS 23 Cb -0.03 -1.97 -0.20 0.00 -1.01 0.00 0.00 37.83 34.62 2d8y s LYS 23 CO 0.32 0.33 2.63 2.41 0.51 0.00 0.00 175.35 181.55 2d8y n THR 24 N 3.02 -0.01 -2.18 2.17 -1.04 -1.26 -2.14 114.28 112.84 2d8y n THR 24 Ca -0.18 -0.10 -0.42 0.00 -2.04 0.00 0.00 64.05 61.32 2d8y n THR 24 Cb 0.52 -0.79 -0.03 0.00 -1.82 0.00 0.00 70.33 68.21 2d8y n THR 24 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2d8y s VAL 25 N 9.19 3.22 0.62 12.58 1.01 -0.43 -4.91 120.40 141.67 2d8y s VAL 25 Ca 1.30 0.93 -0.09 0.00 0.00 0.00 0.00 61.98 64.12 2d8y s VAL 25 Cb -1.14 -3.60 -0.01 0.00 0.00 0.00 0.00 36.38 31.64 2d8y s VAL 25 CO 0.47 0.10 0.98 -0.31 0.00 0.00 0.00 175.10 176.34 2d8y s TYR 26 N 0.62 3.41 -2.00 5.22 1.51 -1.26 -4.55 117.35 120.31 2d8y s TYR 26 Ca 0.61 0.95 0.08 0.00 -1.01 0.00 0.00 57.07 57.70 2d8y s TYR 26 Cb -0.37 -2.77 0.45 0.00 -0.11 0.00 0.00 41.96 39.16 2d8y s TYR 26 CO 0.34 -0.82 0.90 -0.35 -1.11 0.00 0.00 175.55 174.52 2d8y n PRO 27 N -2.71 0.49 -0.02 -1.71 -0.04 -1.26 -0.83 135.00 128.93 2d8y n PRO 27 Ca 0.05 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.49 2d8y n PRO 27 Cb 0.56 -1.24 -0.03 0.00 -0.04 0.00 0.00 33.50 32.75 2d8y n PRO 27 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 2d8y n MET 28 N -0.74 3.37 0.01 0.54 2.81 -1.26 -4.65 117.12 117.21 2d8y n MET 28 Ca 0.06 -0.00 0.11 0.00 -1.81 0.00 0.00 57.70 56.05 2d8y n MET 28 Cb 0.03 -1.09 -0.04 0.00 -0.71 0.00 0.00 33.22 31.40 2d8y n MET 28 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 2d8y n GLU 29 N -2.14 0.26 -1.56 0.03 -0.58 -1.01 -4.91 120.64 110.74 2d8y n GLU 29 Ca -0.06 -0.04 -0.45 0.00 -0.42 0.00 0.00 57.16 56.19 2d8y n GLU 29 Cb 0.62 -1.55 -0.04 0.00 -0.57 0.00 0.00 31.44 29.90 2d8y n GLU 29 CO 0.00 0.00 0.00 -2.13 -0.48 0.00 0.00 177.13 174.52 2d8y n ARG 30 N -1.87 1.74 -4.03 3.49 0.63 -0.01 -3.17 116.66 113.45 2d8y n ARG 30 Ca 0.02 0.48 -0.33 0.00 -0.92 0.00 0.00 57.85 57.09 2d8y n ARG 30 Cb 0.43 -3.02 -0.15 0.00 0.45 0.00 0.00 32.46 30.17 2d8y n ARG 30 CO 0.00 0.00 0.00 -1.17 -2.51 0.00 0.00 177.63 173.95 2d8y s LEU 31 N 7.96 3.22 -0.17 6.15 0.20 0.13 -4.93 118.68 131.24 2d8y s LEU 31 Ca 1.03 -1.13 -0.29 0.00 0.69 0.00 0.00 54.13 54.43 2d8y s LEU 31 Cb -0.48 -1.59 -0.03 0.00 -0.43 0.00 0.00 46.19 43.66 2d8y s LEU 31 CO 0.39 -0.15 1.57 -0.22 -0.29 0.00 0.00 176.35 177.65 2d8y s LEU 32 N 1.21 4.06 -0.19 -0.68 1.98 -1.26 -0.75 118.68 123.04 2d8y s LEU 32 Ca -0.04 1.80 -0.05 0.00 -2.89 0.00 0.00 54.13 52.95 2d8y s LEU 32 Cb -0.18 -3.53 0.07 0.00 0.66 0.00 0.00 46.19 43.21 2d8y s LEU 32 CO -0.06 -1.09 0.13 0.00 -1.89 0.00 0.00 176.35 173.44 2d8y s ALA 33 N 4.60 0.28 -0.89 5.97 0.00 0.12 -4.86 121.76 126.98 2d8y s ALA 33 Ca 0.69 -0.27 -0.05 0.00 0.00 0.00 0.00 51.96 52.33 2d8y s ALA 33 Cb -0.27 -1.15 0.01 0.00 0.00 0.00 0.00 23.12 21.71 2d8y s ALA 33 CO 0.27 -1.24 0.77 -1.71 0.00 0.00 0.00 175.76 173.85 2d8y n ASN 34 N 5.29 -4.62 -2.93 0.00 2.85 -1.26 -2.70 115.26 111.89 2d8y n ASN 34 Ca -0.06 -0.36 -0.21 0.00 -0.11 0.00 0.00 54.58 53.83 2d8y n ASN 34 Cb 0.48 -3.50 0.04 0.00 1.24 0.00 0.00 39.78 38.04 2d8y n ASN 34 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2d8y n GLN 35 N -3.44 -5.11 -3.76 1.20 6.02 -1.26 -4.99 117.38 106.04 2d8y n GLN 35 Ca -0.01 0.84 -0.13 0.00 -0.01 0.00 0.00 57.00 57.69 2d8y n GLN 35 Cb 0.55 -5.61 -0.09 0.00 1.02 0.00 0.00 30.24 26.11 2d8y n GLN 35 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 2d8y s GLN 36 N -5.73 0.67 0.17 -1.09 -0.21 -1.10 -4.85 119.66 107.52 2d8y s GLN 36 Ca 0.33 -0.18 -0.30 0.00 0.02 0.00 0.00 55.36 55.23 2d8y s GLN 36 Cb -0.15 0.30 -0.07 0.00 1.00 0.00 0.00 33.01 34.09 2d8y s GLN 36 CO 0.41 -0.18 1.10 0.08 -2.12 0.00 0.00 175.29 174.58 2d8y s VAL 37 N -1.31 3.90 0.03 1.09 1.01 -1.26 -0.71 120.40 123.15 2d8y s VAL 37 Ca -0.13 1.62 -0.07 0.00 0.00 0.00 0.00 61.98 63.40 2d8y s VAL 37 Cb -0.05 -4.03 -0.00 0.00 0.00 0.00 0.00 36.38 32.29 2d8y s VAL 37 CO 0.04 0.27 0.12 -0.36 0.00 0.00 0.00 175.10 175.17 2d8y s PHE 38 N -0.15 0.12 -0.16 5.22 0.40 0.07 -2.74 117.98 120.74 2d8y s PHE 38 Ca 0.50 -0.33 -0.21 0.00 -0.60 0.00 0.00 56.93 56.29 2d8y s PHE 38 Cb -0.29 -0.09 -0.03 0.00 0.51 0.00 0.00 43.02 43.12 2d8y s PHE 38 CO 0.34 -0.34 0.63 -1.01 0.70 0.00 0.00 175.22 175.54 2d8y s HIS 39 N -2.14 3.43 0.64 0.36 3.76 -1.26 0.17 115.29 120.25 2d8y s HIS 39 Ca -0.09 0.99 0.15 0.00 -0.15 0.00 0.00 55.06 55.96 2d8y s HIS 39 Cb -0.04 -2.77 0.59 0.00 1.11 0.00 0.00 32.58 31.47 2d8y s HIS 39 CO -0.02 -0.08 1.25 0.82 -0.85 0.00 0.00 174.74 175.86 2d8y h ILE 40 N 5.04 0.02 0.00 0.60 5.03 -1.91 0.30 117.51 126.59 2d8y h ILE 40 Ca -0.34 0.00 -0.35 0.00 -0.12 0.00 0.00 64.86 64.05 2d8y h ILE 40 Cb 1.16 0.09 -0.05 0.00 -3.03 0.00 0.00 36.82 34.99 2d8y h ILE 40 CO 0.77 0.00 -1.96 -1.20 -0.68 0.00 0.00 178.15 175.08 2d8y n SER 41 N -2.91 1.92 -0.25 1.72 7.64 -1.26 -4.39 113.62 116.09 2d8y n SER 41 Ca 0.10 0.38 0.10 0.00 1.01 0.00 0.00 58.87 60.46 2d8y n SER 41 Cb 1.14 -0.87 0.37 0.00 -1.01 0.00 0.00 64.21 63.84 2d8y n SER 41 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2d8y n PHE 43 N -4.53 0.71 -3.84 0.00 7.35 0.59 -4.81 117.46 112.93 2d8y n PHE 43 Ca 0.15 -0.05 -0.12 0.00 -0.76 0.00 0.00 57.45 56.68 2d8y n PHE 43 Cb 0.40 -1.92 -0.10 0.00 0.35 0.00 0.00 39.48 38.21 2d8y n PHE 43 CO 0.00 0.00 0.00 1.03 -0.76 0.00 0.00 176.76 177.03 2d8y s ARG 44 N 7.96 0.51 0.30 -4.13 0.52 -1.26 -2.02 118.95 120.83 2d8y s ARG 44 Ca 0.87 -0.30 -0.29 0.00 -0.52 0.00 0.00 55.73 55.49 2d8y s ARG 44 Cb -0.25 0.22 -0.12 0.00 0.52 0.00 0.00 34.95 35.32 2d8y s ARG 44 CO 0.20 -0.13 1.40 0.00 0.02 0.00 0.00 175.30 176.80 2d8y n SER 46 N 1.48 2.31 0.10 0.00 3.41 0.25 -1.49 113.62 119.68 2d8y n SER 46 Ca 0.07 -2.07 0.00 0.00 -0.26 0.00 0.00 58.87 56.62 2d8y n SER 46 Cb 0.35 -0.51 0.00 0.00 -0.26 0.00 0.00 64.21 63.78 2d8y n SER 46 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2d8y n TYR 47 N 0.26 -1.40 -0.02 7.33 4.19 -1.26 -4.90 117.16 121.37 2d8y n TYR 47 Ca 0.02 0.25 -0.02 0.00 3.31 0.00 0.00 57.90 61.46 2d8y n TYR 47 Cb 0.46 0.34 -0.12 0.00 0.49 0.00 0.00 39.34 40.50 2d8y n TYR 47 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 2d8y n ASN 49 N -2.80 -2.24 -4.16 0.00 5.15 -0.55 -4.99 115.26 105.67 2d8y n ASN 49 Ca -0.16 -0.17 -0.31 0.00 -0.60 0.00 0.00 54.58 53.34 2d8y n ASN 49 Cb 0.92 -1.74 -0.17 0.00 -0.53 0.00 0.00 39.78 38.26 2d8y n ASN 49 CO 0.00 0.00 0.00 0.20 1.40 0.00 0.00 177.26 178.86 2d8y s ASN 50 N -3.32 2.90 0.44 1.20 0.01 -1.26 -4.82 114.94 110.09 2d8y s ASN 50 Ca 0.02 -0.54 -0.22 0.00 -0.71 0.00 0.00 52.86 51.41 2d8y s ASN 50 Cb -0.00 -1.33 -0.12 0.00 0.41 0.00 0.00 41.25 40.21 2d8y s ASN 50 CO 0.20 0.09 0.66 0.29 -1.51 0.00 0.00 177.10 176.82 2d8y n LYS 51 N 3.91 0.73 -4.40 -0.60 5.02 -1.26 -2.86 118.16 118.70 2d8y n LYS 51 Ca -0.20 0.27 -0.20 0.00 -2.02 0.00 0.00 58.31 56.16 2d8y n LYS 51 Cb 0.52 -1.65 -0.10 0.00 -0.02 0.00 0.00 35.03 33.78 2d8y n LYS 51 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2d8y s LEU 52 N 1.07 1.87 0.00 -0.35 1.43 -0.86 -4.91 118.68 116.94 2d8y s LEU 52 Ca 0.64 -1.48 0.03 0.00 -1.03 0.00 0.00 54.13 52.29 2d8y s LEU 52 Cb -0.58 -0.08 0.03 0.00 0.03 0.00 0.00 46.19 45.59 2d8y s LEU 52 CO 0.57 -0.77 0.23 -1.54 0.23 0.00 0.00 176.35 175.07 2d8y n SER 53 N -0.80 3.10 -1.87 2.29 3.41 -1.26 -4.95 113.62 113.54 2d8y n SER 53 Ca -0.02 -3.10 -0.07 0.00 -0.26 0.00 0.00 58.87 55.42 2d8y n SER 53 Cb 0.66 0.14 -0.09 0.00 -0.26 0.00 0.00 64.21 64.66 2d8y n SER 53 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2d8y n LEU 54 N 0.00 4.65 0.00 1.04 4.77 -1.26 -2.98 117.00 123.22 2d8y n LEU 54 Ca -0.11 -2.58 0.00 0.00 -0.03 0.00 0.00 56.01 53.29 2d8y n LEU 54 Cb 0.65 -1.15 0.00 0.00 -2.33 0.00 0.00 43.42 40.59 2d8y n LEU 54 CO 0.37 1.23 0.00 0.61 -1.33 0.00 0.00 177.39 178.27 2d8y n GLY 55 N 2.18 0.02 0.00 -0.72 0.00 -1.26 -4.93 105.19 100.49 2d8y n GLY 55 Ca 0.23 -0.01 0.11 0.00 0.00 0.00 0.00 46.02 46.35 2d8y n GLY 55 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2d8y n THR 56 N -0.46 0.02 -2.39 2.61 -2.24 -1.18 -4.94 114.28 105.70 2d8y n THR 56 Ca 0.00 -0.05 -0.33 0.00 -2.27 0.00 0.00 64.05 61.41 2d8y n THR 56 Cb 0.00 0.60 -0.03 0.00 -2.10 0.00 0.00 70.33 68.80 2d8y n THR 56 CO 0.00 0.00 0.00 -0.72 -0.57 0.00 0.00 175.07 173.78 2d8y s TYR 57 N -3.04 3.29 -0.23 4.78 -0.85 -1.16 -3.09 117.35 117.05 2d8y s TYR 57 Ca 0.08 1.51 -0.06 0.00 -0.52 0.00 0.00 57.07 58.08 2d8y s TYR 57 Cb 0.16 -2.87 0.12 0.00 0.38 0.00 0.00 41.96 39.75 2d8y s TYR 57 CO 0.80 -0.54 0.46 0.00 -1.52 0.00 0.00 175.55 174.75 2d8y s ALA 58 N -2.47 -1.37 0.04 9.51 0.00 -0.36 -4.90 121.76 122.22 2d8y s ALA 58 Ca 0.61 1.51 0.03 0.00 0.00 0.00 0.00 51.96 54.11 2d8y s ALA 58 Cb -0.12 -1.55 -0.04 0.00 0.00 0.00 0.00 23.12 21.41 2d8y s ALA 58 CO 0.29 -0.96 0.01 0.45 0.00 0.00 0.00 175.76 175.55 2d8y s SER 59 N 2.66 5.15 0.03 0.00 0.15 -1.26 0.07 113.70 120.49 2d8y s SER 59 Ca 0.03 -0.06 0.00 0.00 0.70 0.00 0.00 55.95 56.62 2d8y s SER 59 Cb -0.13 -1.32 0.00 0.00 -1.71 0.00 0.00 66.02 62.86 2d8y s SER 59 CO -0.15 0.23 0.00 -0.11 1.20 0.00 0.00 173.24 174.41 2d8y n LEU 60 N 1.02 0.21 -1.78 3.45 7.94 -1.15 -4.87 117.00 121.81 2d8y n LEU 60 Ca -0.13 0.04 -0.19 0.00 -1.11 0.00 0.00 56.01 54.62 2d8y n LEU 60 Cb 0.52 -0.05 0.11 0.00 0.53 0.00 0.00 43.42 44.53 2d8y n LEU 60 CO 0.37 -0.56 0.73 1.41 -1.11 0.00 0.00 177.39 178.23 2d8y n HIS 61 N -2.71 2.25 0.00 1.96 8.25 -1.26 -4.87 115.22 118.83 2d8y n HIS 61 Ca 0.00 -2.17 0.00 0.00 -0.26 0.00 0.00 57.72 55.29 2d8y n HIS 61 Cb 0.00 -0.69 0.00 0.00 1.12 0.00 0.00 29.99 30.42 2d8y n HIS 61 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2d8y n GLY 62 N -0.94 3.00 3.85 -1.41 0.00 -1.26 -4.99 105.19 103.43 2d8y n GLY 62 Ca 0.45 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 46.12 2d8y n GLY 62 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2d8y s ARG 63 N -0.49 3.93 0.24 1.61 1.81 -1.26 -5.04 118.95 119.76 2d8y s ARG 63 Ca 0.00 0.43 -0.10 0.00 -1.72 0.00 0.00 55.73 54.33 2d8y s ARG 63 Cb 0.00 -2.94 -0.07 0.00 -0.45 0.00 0.00 34.95 31.48 2d8y s ARG 63 CO 0.00 0.49 0.57 0.42 -0.68 0.00 0.00 175.30 176.10 2d8y s ILE 64 N -1.45 4.91 0.02 1.52 -1.09 -1.26 -2.95 121.20 120.89 2d8y s ILE 64 Ca 0.37 0.52 -0.12 0.00 -2.23 0.00 0.00 60.65 59.18 2d8y s ILE 64 Cb -0.15 -3.62 0.02 0.00 -1.58 0.00 0.00 42.46 37.13 2d8y s ILE 64 CO 0.19 -0.08 0.26 -0.31 -1.23 0.00 0.00 174.94 173.77 2d8y s TYR 65 N -1.83 -0.08 0.05 3.97 2.02 0.11 -0.59 117.35 121.01 2d8y s TYR 65 Ca 0.48 -0.00 -0.22 0.00 -0.37 0.00 0.00 57.07 56.95 2d8y s TYR 65 Cb -0.11 0.05 -0.06 0.00 -0.40 0.00 0.00 41.96 41.44 2d8y s TYR 65 CO 0.21 -0.43 0.67 0.00 -1.57 0.00 0.00 175.55 174.43 2d8y n LYS 67 N 2.36 -0.11 -0.01 0.00 4.01 -1.18 0.37 118.16 123.60 2d8y n LYS 67 Ca -0.06 0.51 -0.04 0.00 -0.51 0.00 0.00 58.31 58.21 2d8y n LYS 67 Cb 0.50 -0.76 -0.03 0.00 -0.51 0.00 0.00 35.03 34.24 2d8y n LYS 67 CO 0.00 0.00 0.00 -1.35 -1.11 0.00 0.00 177.40 174.94 2d8y h PRO 68 N 0.00 -0.15 -0.80 1.97 0.11 -1.92 0.24 132.00 131.44 2d8y h PRO 68 Ca 0.09 0.01 0.02 0.00 0.11 0.00 0.00 66.00 66.23 2d8y h PRO 68 Cb 0.17 0.03 -0.04 0.00 0.11 0.00 0.00 31.00 31.27 2d8y h PRO 68 CO -0.33 -0.10 0.52 0.45 -0.21 0.00 0.00 178.00 178.34 2d8y h HIS 69 N -0.16 0.99 0.07 0.65 3.86 -0.94 -1.13 115.15 118.48 2d8y h HIS 69 Ca 0.01 0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.24 2d8y h HIS 69 Cb 0.19 -0.33 -0.01 0.00 1.06 0.00 0.00 27.41 28.32 2d8y h HIS 69 CO -0.51 0.60 -0.09 0.35 0.86 0.00 0.00 177.93 179.13 2d8y h PHE 70 N 1.05 -0.26 -0.67 2.45 3.04 0.36 0.34 116.94 123.25 2d8y h PHE 70 Ca 0.30 0.00 0.18 0.00 3.98 0.00 0.00 57.97 62.43 2d8y h PHE 70 Cb -0.07 0.11 -0.03 0.00 2.56 0.00 0.00 35.95 38.51 2d8y h PHE 70 CO -0.02 -0.12 0.47 -0.91 -2.02 0.00 0.00 178.31 175.71 2d8y h ASN 71 N -0.17 0.09 0.05 0.41 2.35 -0.53 0.73 115.58 118.52 2d8y h ASN 71 Ca -0.01 0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2d8y h ASN 71 Cb 0.15 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 38.51 2d8y h ASN 71 CO -0.03 0.05 -0.02 -0.61 -1.65 0.00 0.00 177.43 175.17 2d8y h GLN 72 N 0.10 -0.06 -0.39 0.81 4.15 -0.53 1.00 115.11 120.19 2d8y h GLN 72 Ca 0.32 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.74 2d8y h GLN 72 Cb 1.13 0.01 -0.02 0.00 0.21 0.00 0.00 27.48 28.82 2d8y h GLN 72 CO -0.03 -0.04 0.23 -0.07 -1.93 0.00 0.00 178.83 176.99 2d8y h LEU 73 N -0.10 0.45 0.16 -2.39 3.38 -0.14 -3.16 115.31 113.52 2d8y h LEU 73 Ca -0.01 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 2d8y h LEU 73 Cb 0.05 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.69 2d8y h LEU 73 CO 0.01 0.35 -0.08 -0.26 0.09 0.00 0.00 178.44 178.55 2d8y h PHE 74 N 0.53 -0.20 -4.03 1.13 -1.00 0.41 -3.46 116.94 110.32 2d8y h PHE 74 Ca 0.14 -0.00 -0.45 0.00 2.81 0.00 0.00 57.97 60.46 2d8y h PHE 74 Cb -0.03 0.07 -0.01 0.00 3.61 0.00 0.00 35.95 39.59 2d8y h PHE 74 CO 0.00 -0.12 0.36 0.21 -1.61 0.00 0.00 178.31 177.14 2d8y s LYS 75 N -2.24 4.18 0.35 1.51 2.36 0.34 -5.03 119.74 121.22 2d8y s LYS 75 Ca -0.03 1.24 -0.15 0.00 -2.55 0.00 0.00 55.97 54.48 2d8y s LYS 75 Cb 0.00 -2.29 0.04 0.00 -1.05 0.00 0.00 37.83 34.53 2d8y s LYS 75 CO 0.09 -0.08 0.73 -1.54 1.55 0.00 0.00 175.35 176.10 2d8y s SER 76 N -1.99 0.05 -0.61 1.43 1.04 -1.26 -4.50 113.70 107.86 2d8y s SER 76 Ca 0.61 -1.07 -0.20 0.00 0.48 0.00 0.00 55.95 55.77 2d8y s SER 76 Cb -0.13 0.80 0.09 0.00 0.10 0.00 0.00 66.02 66.87 2d8y s SER 76 CO 0.18 -1.56 0.79 -0.75 0.98 0.00 0.00 173.24 172.88 2d8y s LYS 77 N -2.78 3.08 0.00 4.02 2.20 -1.26 -4.90 119.74 120.10 2d8y s LYS 77 Ca 0.17 -1.10 0.00 0.00 -0.36 0.00 0.00 55.97 54.67 2d8y s LYS 77 Cb -0.05 -4.24 0.00 0.00 -1.51 0.00 0.00 37.83 32.04 2d8y s LYS 77 CO 0.11 -1.61 0.00 0.41 -0.36 0.00 0.00 175.35 173.90 2d8y n GLY 78 N 5.29 0.90 3.32 5.54 0.00 -1.26 -5.09 105.19 113.89 2d8y n GLY 78 Ca -0.07 -1.82 -0.32 0.00 0.00 0.00 0.00 46.02 43.81 2d8y n GLY 78 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2d8y s ASN 79 N -4.00 3.42 0.31 1.61 2.20 -1.26 -5.12 114.94 112.10 2d8y s ASN 79 Ca 0.00 -0.42 -0.08 0.00 -0.94 0.00 0.00 52.86 51.42 2d8y s ASN 79 Cb 0.00 -1.02 0.00 0.00 -2.00 0.00 0.00 41.25 38.23 2d8y s ASN 79 CO 0.00 0.24 0.50 -0.31 -2.94 0.00 0.00 177.10 174.59 2d8y s TYR 80 N -0.14 0.70 0.02 1.54 1.51 -1.26 -5.18 117.35 114.54 2d8y s TYR 80 Ca -0.03 -1.03 -0.04 0.00 -1.01 0.00 0.00 57.07 54.96 2d8y s TYR 80 Cb -0.14 0.10 -0.01 0.00 -0.11 0.00 0.00 41.96 41.80 2d8y s TYR 80 CO 0.04 -1.11 0.06 0.34 -1.11 0.00 0.00 175.55 173.76 2d8y s ASP 81 N -3.13 0.17 -0.30 2.29 2.15 -1.26 -5.06 116.67 111.52 2d8y s ASP 81 Ca 0.26 -0.44 0.09 0.00 0.43 0.00 0.00 52.55 52.89 2d8y s ASP 81 Cb -0.01 0.17 0.46 0.00 -0.30 0.00 0.00 42.92 43.25 2d8y s ASP 81 CO 0.15 -0.39 1.17 -0.62 -0.17 0.00 0.00 175.17 175.30 2d8y n GLU 82 N 1.25 3.35 0.00 4.34 1.02 -1.26 -4.96 120.64 124.38 2d8y n GLU 82 Ca -0.22 -4.12 0.00 0.00 -0.02 0.00 0.00 57.16 52.80 2d8y n GLU 82 Cb 0.56 -2.18 0.00 0.00 -0.02 0.00 0.00 31.44 29.80 2d8y n GLU 82 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2d8y n GLY 83 N -0.66 -1.69 3.65 0.62 0.00 -1.26 -4.41 105.19 101.45 2d8y n GLY 83 Ca 0.39 0.36 -0.47 0.00 0.00 0.00 0.00 46.02 46.30 2d8y n GLY 83 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2d8y n PHE 84 N -0.46 2.11 0.00 1.61 -0.00 -1.26 -4.90 117.46 114.56 2d8y n PHE 84 Ca 0.00 0.36 0.00 0.00 -0.00 0.00 0.00 57.45 57.81 2d8y n PHE 84 Cb 0.00 -2.49 0.00 0.00 -0.00 0.00 0.00 39.48 36.99 2d8y n PHE 84 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 2d8y n GLY 85 N 3.07 -1.69 3.96 7.13 0.00 -1.26 -5.17 105.19 111.23 2d8y n GLY 85 Ca 0.16 0.93 -0.23 0.00 0.00 0.00 0.00 46.02 46.89 2d8y n GLY 85 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2d8y s SER 86 N 0.00 6.33 -0.11 1.61 0.01 -1.26 -5.09 113.70 115.19 2d8y s SER 86 Ca 0.00 0.12 -0.11 0.00 1.31 0.00 0.00 55.95 57.27 2d8y s SER 86 Cb 0.00 -1.88 0.03 0.00 0.21 0.00 0.00 66.02 64.38 2d8y s SER 86 CO 0.00 -0.02 0.30 -0.83 0.41 0.00 0.00 173.24 173.10 2d8y s GLY 87 N -3.65 -0.22 0.51 3.44 0.00 -1.26 -4.88 107.32 101.27 2d8y s GLY 87 Ca 0.34 0.83 -0.21 0.00 0.00 0.00 0.00 44.72 45.68 2d8y s GLY 87 CO 0.29 0.71 1.14 2.56 0.00 0.00 0.00 173.10 177.80 2d8y s PRO 88 N 0.11 3.50 0.06 2.90 0.04 -1.26 -5.06 135.00 135.29 2d8y s PRO 88 Ca -0.00 1.67 -0.16 0.00 0.04 0.00 0.00 61.00 62.54 2d8y s PRO 88 Cb -0.02 -2.14 0.03 0.00 0.04 0.00 0.00 34.50 32.40 2d8y s PRO 88 CO 0.01 -0.74 0.37 -1.12 0.04 0.00 0.00 177.00 175.56 2d8y s SER 89 N -1.63 -0.22 0.10 6.66 0.01 -1.26 -5.09 113.70 112.27 2d8y s SER 89 Ca 0.70 -0.15 -0.17 0.00 1.31 0.00 0.00 55.95 57.64 2d8y s SER 89 Cb -0.25 0.42 0.04 0.00 0.21 0.00 0.00 66.02 66.43 2d8y s SER 89 CO 0.30 -0.70 0.42 -0.94 0.41 0.00 0.00 173.24 172.73 2d8y s SER 90 N -2.23 -0.27 0.00 2.44 1.04 -1.26 -5.25 113.70 108.16 2d8y s SER 90 Ca -0.03 -0.19 0.00 0.00 0.48 0.00 0.00 55.95 56.21 2d8y s SER 90 Cb 0.00 0.47 0.00 0.00 0.10 0.00 0.00 66.02 66.59 2d8y s SER 90 CO -0.05 -0.80 0.14 0.61 0.98 0.00 0.00 173.24 174.12