#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 3.65 -0.15 1.61 1.04 -1.26 -5.14 113.70 113.44 2d8y s SER 2 Ca 0.00 -0.95 -0.32 0.00 0.48 0.00 0.00 55.95 55.15 2d8y s SER 2 Cb 0.00 -0.34 0.13 0.00 0.10 0.00 0.00 66.02 65.91 2d8y s SER 2 CO 0.00 0.06 1.12 -0.94 0.98 0.00 0.00 173.24 174.45 2d8y s SER 3 N -3.33 -0.22 -0.30 7.02 1.04 -1.26 -5.16 113.70 111.50 2d8y s SER 3 Ca 0.28 0.07 -0.17 0.00 0.48 0.00 0.00 55.95 56.61 2d8y s SER 3 Cb -0.06 0.21 0.17 0.00 0.10 0.00 0.00 66.02 66.45 2d8y s SER 3 CO 0.14 -0.32 1.21 -0.83 0.98 0.00 0.00 173.24 174.43 2d8y s GLY 4 N -1.93 -0.35 0.03 7.32 0.00 -1.26 -5.13 107.32 105.99 2d8y s GLY 4 Ca 0.06 2.88 -0.36 0.00 0.00 0.00 0.00 44.72 47.30 2d8y s GLY 4 CO -0.05 4.07 1.52 -1.14 0.00 0.00 0.00 173.10 177.50 2d8y n SER 5 N 5.33 2.30 -3.65 1.64 3.41 -1.26 -4.96 113.62 116.43 2d8y n SER 5 Ca -0.02 1.09 -0.06 0.00 -0.26 0.00 0.00 58.87 59.61 2d8y n SER 5 Cb 0.56 -1.26 -0.08 0.00 -0.26 0.00 0.00 64.21 63.18 2d8y n SER 5 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2d8y s SER 6 N 1.46 -0.49 0.00 4.04 0.15 -1.26 -5.10 113.70 112.51 2d8y s SER 6 Ca 0.86 1.13 0.00 0.00 0.70 0.00 0.00 55.95 58.65 2d8y s SER 6 Cb -0.88 1.60 0.00 0.00 -1.71 0.00 0.00 66.02 65.03 2d8y s SER 6 CO 0.48 -0.23 0.00 0.61 1.20 0.00 0.00 173.24 175.30 2d8y n GLY 7 N 5.41 -0.58 3.27 9.45 0.00 -1.26 -5.18 105.19 116.30 2d8y n GLY 7 Ca -0.09 0.64 -0.24 0.00 0.00 0.00 0.00 46.02 46.33 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 1.16 -0.07 1.61 1.00 -1.26 -5.15 119.30 116.60 2d8y s MET 8 Ca 0.00 -1.10 -0.29 0.00 0.00 0.00 0.00 55.69 54.30 2d8y s MET 8 Cb 0.00 -1.38 0.10 0.00 0.00 0.00 0.00 34.83 33.55 2d8y s MET 8 CO 0.00 0.33 0.85 -1.59 0.00 0.00 0.00 175.02 174.60 2d8y s LYS 9 N -1.74 0.84 0.34 2.03 -2.85 -1.26 -5.18 119.74 111.92 2d8y s LYS 9 Ca 0.06 0.03 0.08 0.00 -1.00 0.00 0.00 55.97 55.14 2d8y s LYS 9 Cb -0.10 0.39 -0.04 0.00 -2.06 0.00 0.00 37.83 36.02 2d8y s LYS 9 CO 0.04 -0.30 0.13 -0.59 0.10 0.00 0.00 175.35 174.73 2d8y s PHE 10 N -1.80 2.70 -0.25 1.78 -0.12 -1.26 -5.04 117.98 113.98 2d8y s PHE 10 Ca -0.03 -0.38 -0.42 0.00 -0.05 0.00 0.00 56.93 56.05 2d8y s PHE 10 Cb -0.00 -1.62 -0.19 0.00 -0.63 0.00 0.00 43.02 40.58 2d8y s PHE 10 CO 0.00 0.35 1.47 1.04 -0.05 0.00 0.00 175.22 178.04 2d8y n GLN 11 N -1.13 0.41 -0.03 1.99 3.00 -1.26 -4.84 117.38 115.52 2d8y n GLN 11 Ca -0.03 0.15 -0.12 0.00 -0.01 0.00 0.00 57.00 56.99 2d8y n GLN 11 Cb 0.61 -1.71 -0.06 0.00 0.00 0.00 0.00 30.24 29.09 2d8y n GLN 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2d8y h ALA 12 N 4.94 -0.55 0.00 -1.58 0.00 -2.00 0.23 119.26 120.30 2d8y h ALA 12 Ca -0.47 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.45 2d8y h ALA 12 Cb 1.37 0.81 0.00 0.00 0.00 0.00 0.00 17.79 19.96 2d8y h ALA 12 CO 0.87 -0.91 0.00 -0.35 0.00 0.00 0.00 179.25 178.86 2d8y n PRO 13 N -5.43 0.44 -3.91 0.00 -0.04 -1.26 -4.85 135.00 119.94 2d8y n PRO 13 Ca -0.03 0.02 -0.29 0.00 -0.04 0.00 0.00 63.50 63.16 2d8y n PRO 13 Cb 0.36 -1.50 0.02 0.00 -0.04 0.00 0.00 33.50 32.34 2d8y n PRO 13 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2d8y n ALA 14 N -1.05 -1.45 -0.56 0.55 0.00 0.80 -4.92 120.51 113.87 2d8y n ALA 14 Ca 0.11 0.08 -0.29 0.00 0.00 0.00 0.00 53.44 53.34 2d8y n ALA 14 Cb 0.06 -3.76 0.21 0.00 0.00 0.00 0.00 19.45 15.96 2d8y n ALA 14 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 2d8y n ARG 15 N -4.57 -2.28 -2.56 0.00 1.85 -1.26 -5.01 116.66 102.84 2d8y n ARG 15 Ca -0.04 -0.65 -0.22 0.00 -1.00 0.00 0.00 57.85 55.94 2d8y n ARG 15 Cb 0.56 -1.80 0.06 0.00 -1.05 0.00 0.00 32.46 30.23 2d8y n ARG 15 CO 0.00 0.00 0.00 -1.21 -0.01 0.00 0.00 177.63 176.41 2d8y s GLU 16 N -3.81 2.32 -0.12 2.89 0.41 -1.26 -5.01 118.70 114.11 2d8y s GLU 16 Ca 0.58 -0.76 -0.24 0.00 -0.41 0.00 0.00 54.97 54.13 2d8y s GLU 16 Cb -0.14 -2.41 0.06 0.00 -1.78 0.00 0.00 34.13 29.86 2d8y s GLU 16 CO 0.61 -0.94 0.59 0.99 -0.49 0.00 0.00 175.26 176.02 2d8y s THR 17 N -2.91 0.01 0.08 3.63 2.01 -1.26 -3.54 115.64 113.66 2d8y s THR 17 Ca 0.59 -0.08 -0.31 0.00 0.31 0.00 0.00 61.69 62.21 2d8y s THR 17 Cb -0.09 -0.87 -0.08 0.00 0.01 0.00 0.00 72.50 71.47 2d8y s THR 17 CO 0.41 -0.04 1.50 0.00 -0.69 0.00 0.00 174.62 175.79 2d8y n VAL 19 N 4.35 0.46 0.01 0.00 0.24 -1.03 -1.13 118.33 121.24 2d8y n VAL 19 Ca 0.14 -0.28 -0.03 0.00 -2.04 0.00 0.00 64.34 62.13 2d8y n VAL 19 Cb 0.41 -0.22 -0.01 0.00 -1.47 0.00 0.00 33.84 32.56 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 0.08 0.10 -0.00 7.34 -0.58 -1.26 -4.81 120.64 121.50 2d8y n GLU 20 Ca 0.06 0.04 0.09 0.00 -0.42 0.00 0.00 57.16 56.93 2d8y n GLU 20 Cb 0.33 -0.67 -0.12 0.00 -0.57 0.00 0.00 31.44 30.41 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 -1.62 -4.19 -4.80 0.00 1.13 -0.28 -5.02 117.38 102.60 2d8y n GLN 22 Ca 0.02 0.56 -0.26 0.00 -1.94 0.00 0.00 57.00 55.38 2d8y n GLN 22 Cb 0.35 -4.69 -0.16 0.00 0.11 0.00 0.00 30.24 25.85 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 -4.84 1.79 -0.52 -1.09 3.01 -1.25 -4.84 119.74 112.01 2d8y s LYS 23 Ca 0.02 -0.58 -0.40 0.00 -1.01 0.00 0.00 55.97 54.00 2d8y s LYS 23 Cb -0.00 -1.54 -0.17 0.00 -1.01 0.00 0.00 37.83 35.11 2d8y s LYS 23 CO 0.48 0.21 2.23 2.41 0.51 0.00 0.00 175.35 181.18 2d8y n THR 24 N 3.25 0.05 -2.61 2.17 -1.04 -1.26 -1.81 114.28 113.03 2d8y n THR 24 Ca -0.19 -0.09 -0.43 0.00 -2.04 0.00 0.00 64.05 61.31 2d8y n THR 24 Cb 0.53 -0.86 -0.02 0.00 -1.82 0.00 0.00 70.33 68.15 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 6.86 4.60 0.65 12.58 1.01 -1.23 -4.89 120.40 139.98 2d8y s VAL 25 Ca 1.19 1.90 -0.11 0.00 0.00 0.00 0.00 61.98 64.96 2d8y s VAL 25 Cb -1.27 -4.23 -0.02 0.00 0.00 0.00 0.00 36.38 30.87 2d8y s VAL 25 CO 0.58 -0.09 1.06 -0.31 0.00 0.00 0.00 175.10 176.34 2d8y s TYR 26 N 2.75 3.51 -2.00 5.22 1.51 -1.26 -4.71 117.35 122.36 2d8y s TYR 26 Ca 0.48 1.20 0.13 0.00 -1.01 0.00 0.00 57.07 57.87 2d8y s TYR 26 Cb -0.18 -2.85 0.76 0.00 -0.11 0.00 0.00 41.96 39.57 2d8y s TYR 26 CO 0.13 -0.88 1.18 -0.35 -1.11 0.00 0.00 175.55 174.52 2d8y n PRO 27 N -2.85 0.49 -0.04 -1.71 -0.04 -1.26 -1.59 135.00 127.99 2d8y n PRO 27 Ca 0.06 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.52 2d8y n PRO 27 Cb 0.55 -1.40 -0.13 0.00 -0.04 0.00 0.00 33.50 32.48 2d8y n PRO 27 CO 0.00 0.00 0.00 -0.12 -0.04 0.00 0.00 175.50 175.34 2d8y n MET 28 N -0.90 1.01 -0.22 0.54 0.00 -1.26 -4.50 117.12 111.79 2d8y n MET 28 Ca 0.10 -0.08 0.09 0.00 -0.00 0.00 0.00 57.70 57.81 2d8y n MET 28 Cb 0.04 -1.39 0.16 0.00 0.00 0.00 0.00 33.22 32.03 2d8y n MET 28 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 175.97 175.12 2d8y n GLU 29 N -2.33 1.35 -2.75 2.12 0.28 -0.91 -4.99 120.64 113.41 2d8y n GLU 29 Ca -0.14 -2.77 -0.43 0.00 -0.16 0.00 0.00 57.16 53.66 2d8y n GLU 29 Cb 0.73 -1.52 -0.04 0.00 1.43 0.00 0.00 31.44 32.04 2d8y n GLU 29 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 177.13 177.47 2d8y s ARG 30 N -2.95 3.42 -0.33 3.44 3.52 -0.62 -3.73 118.95 121.70 2d8y s ARG 30 Ca 0.33 -0.03 -0.01 0.00 -0.13 0.00 0.00 55.73 55.90 2d8y s ARG 30 Cb 0.30 -4.02 0.07 0.00 -1.56 0.00 0.00 34.95 29.75 2d8y s ARG 30 CO 0.00 -1.51 0.06 -1.17 -0.81 0.00 0.00 175.30 171.87 2d8y s LEU 31 N 4.25 4.38 0.10 -0.88 0.20 0.06 -4.97 118.68 121.82 2d8y s LEU 31 Ca 0.36 -1.61 -0.31 0.00 0.69 0.00 0.00 54.13 53.25 2d8y s LEU 31 Cb -0.10 -1.73 -0.08 0.00 -0.43 0.00 0.00 46.19 43.85 2d8y s LEU 31 CO 0.22 -0.35 1.49 -0.22 -0.29 0.00 0.00 176.35 177.20 2d8y s LEU 32 N 1.17 4.36 -0.21 -0.68 1.98 -1.26 -0.84 118.68 123.20 2d8y s LEU 32 Ca 0.01 2.40 -0.04 0.00 -2.89 0.00 0.00 54.13 53.60 2d8y s LEU 32 Cb -0.21 -3.58 0.10 0.00 0.66 0.00 0.00 46.19 43.17 2d8y s LEU 32 CO -0.03 -0.75 0.30 0.00 -1.89 0.00 0.00 176.35 173.97 2d8y s ALA 33 N 1.64 -0.67 -1.11 5.97 0.00 0.15 -4.89 121.76 122.85 2d8y s ALA 33 Ca 0.68 0.68 -0.05 0.00 0.00 0.00 0.00 51.96 53.26 2d8y s ALA 33 Cb -0.38 -1.40 0.01 0.00 0.00 0.00 0.00 23.12 21.34 2d8y s ALA 33 CO 0.30 -1.11 0.71 -1.71 0.00 0.00 0.00 175.76 173.96 2d8y n ASN 34 N 5.35 -5.25 -2.50 0.00 5.15 -1.26 -2.40 115.26 114.34 2d8y n ASN 34 Ca -0.05 -0.33 -0.18 0.00 -0.60 0.00 0.00 54.58 53.43 2d8y n ASN 34 Cb 0.50 -3.96 0.04 0.00 -0.53 0.00 0.00 39.78 35.82 2d8y n ASN 34 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2d8y n GLN 35 N -3.65 -4.35 -3.79 1.20 6.02 -1.26 -4.98 117.38 106.57 2d8y n GLN 35 Ca -0.04 0.69 -0.13 0.00 -0.01 0.00 0.00 57.00 57.52 2d8y n GLN 35 Cb 0.57 -5.14 -0.09 0.00 1.02 0.00 0.00 30.24 26.59 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 -5.57 0.57 -0.16 -1.09 -0.21 -1.01 -5.13 119.66 107.06 2d8y s GLN 36 Ca 0.28 -0.14 -0.29 0.00 0.02 0.00 0.00 55.36 55.23 2d8y s GLN 36 Cb -0.13 0.25 -0.01 0.00 1.00 0.00 0.00 33.01 34.12 2d8y s GLN 36 CO 0.35 -0.14 1.21 0.08 -2.12 0.00 0.00 175.29 174.67 2d8y s VAL 37 N -1.09 4.35 0.09 1.09 1.01 -1.26 -0.67 120.40 123.92 2d8y s VAL 37 Ca -0.12 1.64 0.06 0.00 0.00 0.00 0.00 61.98 63.57 2d8y s VAL 37 Cb -0.05 -4.06 -0.03 0.00 0.00 0.00 0.00 36.38 32.24 2d8y s VAL 37 CO 0.03 -0.12 -0.16 -0.36 0.00 0.00 0.00 175.10 174.49 2d8y s PHE 38 N 3.22 1.41 -0.16 5.22 0.08 -0.02 -2.48 117.98 125.26 2d8y s PHE 38 Ca 0.53 -0.46 -0.24 0.00 0.12 0.00 0.00 56.93 56.89 2d8y s PHE 38 Cb -0.21 -0.78 -0.02 0.00 -0.57 0.00 0.00 43.02 41.44 2d8y s PHE 38 CO 0.14 0.11 0.75 -1.01 -0.10 0.00 0.00 175.22 175.11 2d8y s HIS 39 N -1.34 3.44 0.61 0.36 3.76 -1.26 -0.76 115.29 120.10 2d8y s HIS 39 Ca 0.02 1.16 0.23 0.00 -0.15 0.00 0.00 55.06 56.32 2d8y s HIS 39 Cb -0.09 -2.91 0.82 0.00 1.11 0.00 0.00 32.58 31.50 2d8y s HIS 39 CO 0.03 -0.16 1.28 0.82 -0.85 0.00 0.00 174.74 175.86 2d8y h ILE 40 N 5.11 0.01 0.00 0.60 5.03 -1.90 0.21 117.51 126.57 2d8y h ILE 40 Ca -0.32 0.00 -0.19 0.00 -0.12 0.00 0.00 64.86 64.23 2d8y h ILE 40 Cb 1.15 0.03 -0.03 0.00 -3.03 0.00 0.00 36.82 34.94 2d8y h ILE 40 CO 0.80 0.00 -1.32 -0.24 -0.68 0.00 0.00 178.15 176.71 2d8y n SER 41 N -3.16 1.88 -0.35 1.72 2.88 -1.26 -4.39 113.62 110.95 2d8y n SER 41 Ca 0.20 0.44 0.13 0.00 -1.33 0.00 0.00 58.87 58.31 2d8y n SER 41 Cb 1.43 -0.87 0.33 0.00 -0.75 0.00 0.00 64.21 64.35 2d8y n SER 41 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2d8y n PHE 43 N -4.80 0.60 -3.97 0.00 7.35 0.42 -4.81 117.46 112.25 2d8y n PHE 43 Ca 0.24 0.31 -0.09 0.00 -0.76 0.00 0.00 57.45 57.14 2d8y n PHE 43 Cb 0.59 -2.22 -0.04 0.00 0.35 0.00 0.00 39.48 38.17 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 8.73 1.67 0.32 -4.13 0.52 -1.26 -2.48 118.95 122.32 2d8y s ARG 44 Ca 1.31 -1.27 -0.27 0.00 -0.52 0.00 0.00 55.73 54.98 2d8y s ARG 44 Cb -1.10 0.50 -0.09 0.00 0.52 0.00 0.00 34.95 34.78 2d8y s ARG 44 CO 0.47 -0.71 1.07 0.00 0.02 0.00 0.00 175.30 176.14 2d8y n SER 46 N 0.75 2.62 0.03 0.00 2.88 0.12 -1.31 113.62 118.72 2d8y n SER 46 Ca 0.01 -2.24 0.00 0.00 -1.33 0.00 0.00 58.87 55.31 2d8y n SER 46 Cb 0.47 -0.55 0.00 0.00 -0.75 0.00 0.00 64.21 63.38 2d8y n SER 46 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2d8y n TYR 47 N 0.17 -0.46 -0.04 0.66 4.19 -1.26 -4.91 117.16 115.50 2d8y n TYR 47 Ca 0.08 0.08 0.01 0.00 3.31 0.00 0.00 57.90 61.39 2d8y n TYR 47 Cb 0.60 0.35 -0.13 0.00 0.49 0.00 0.00 39.34 40.65 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 -2.32 -2.73 -4.89 0.00 2.85 -0.42 -4.96 115.26 102.79 2d8y n ASN 49 Ca -0.14 -0.19 -0.33 0.00 -0.11 0.00 0.00 54.58 53.81 2d8y n ASN 49 Cb 0.71 -2.02 -0.05 0.00 1.24 0.00 0.00 39.78 39.66 2d8y n ASN 49 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 2d8y s ASN 50 N -3.28 6.29 0.30 1.20 4.22 -1.26 -4.72 114.94 117.69 2d8y s ASN 50 Ca 0.10 0.32 -0.30 0.00 -2.14 0.00 0.00 52.86 50.84 2d8y s ASN 50 Cb -0.04 -1.96 -0.11 0.00 1.28 0.00 0.00 41.25 40.42 2d8y s ASN 50 CO 0.24 0.26 1.57 -0.54 -2.04 0.00 0.00 177.10 176.60 2d8y s LYS 51 N -1.91 4.13 0.41 3.55 -0.14 -1.26 -2.50 119.74 122.02 2d8y s LYS 51 Ca 0.27 2.57 0.03 0.00 -1.36 0.00 0.00 55.97 57.47 2d8y s LYS 51 Cb -0.13 -3.02 -0.01 0.00 -1.68 0.00 0.00 37.83 33.00 2d8y s LYS 51 CO 0.18 -0.61 0.11 1.28 -0.76 0.00 0.00 175.35 175.56 2d8y n LEU 52 N 1.91 0.00 -3.75 3.17 4.77 -1.04 -4.95 117.00 117.12 2d8y n LEU 52 Ca 0.07 -3.02 -0.10 0.00 -0.03 0.00 0.00 56.01 52.93 2d8y n LEU 52 Cb 0.38 0.87 -0.06 0.00 -2.33 0.00 0.00 43.42 42.28 2d8y n LEU 52 CO 0.64 -0.46 0.04 -0.44 -1.33 0.00 0.00 177.39 175.83 2d8y s SER 53 N -3.47 -0.06 -0.63 -1.43 0.01 -1.26 -4.93 113.70 101.93 2d8y s SER 53 Ca 0.16 -0.49 -0.26 0.00 1.31 0.00 0.00 55.95 56.67 2d8y s SER 53 Cb 0.01 0.41 -0.11 0.00 0.21 0.00 0.00 66.02 66.53 2d8y s SER 53 CO 0.11 -0.80 2.47 0.18 0.41 0.00 0.00 173.24 175.61 2d8y n LEU 54 N -0.15 1.77 0.00 2.44 4.77 -1.26 -1.27 117.00 123.30 2d8y n LEU 54 Ca -0.15 -0.49 0.00 0.00 -0.03 0.00 0.00 56.01 55.34 2d8y n LEU 54 Cb 0.63 -1.44 0.00 0.00 -2.33 0.00 0.00 43.42 40.28 2d8y n LEU 54 CO 0.20 -1.53 0.00 0.61 -1.33 0.00 0.00 177.39 175.34 2d8y n GLY 55 N 6.17 4.17 1.28 -0.72 0.00 -1.26 -4.91 105.19 109.91 2d8y n GLY 55 Ca 0.44 -0.83 0.12 0.00 0.00 0.00 0.00 46.02 45.75 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 0.00 0.80 -4.62 2.61 -2.24 -0.40 -4.92 114.28 105.51 2d8y n THR 56 Ca 0.00 -0.89 -0.33 0.00 -2.27 0.00 0.00 64.05 60.57 2d8y n THR 56 Cb 0.00 0.67 -0.11 0.00 -2.10 0.00 0.00 70.33 68.79 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 -1.20 2.82 -0.30 4.78 -0.85 -1.14 -3.59 117.35 117.86 2d8y s TYR 57 Ca 0.45 -0.08 0.02 0.00 -0.52 0.00 0.00 57.07 56.94 2d8y s TYR 57 Cb 0.24 -1.62 0.09 0.00 0.38 0.00 0.00 41.96 41.05 2d8y s TYR 57 CO 0.33 0.31 0.02 0.00 -1.52 0.00 0.00 175.55 174.68 2d8y s ALA 58 N -0.88 2.26 -0.12 9.51 0.00 -0.05 -4.97 121.76 127.51 2d8y s ALA 58 Ca 0.14 -1.92 -0.22 0.00 0.00 0.00 0.00 51.96 49.97 2d8y s ALA 58 Cb -0.11 -1.70 -0.03 0.00 0.00 0.00 0.00 23.12 21.28 2d8y s ALA 58 CO 0.04 -1.50 0.65 -1.54 0.00 0.00 0.00 175.76 173.41 2d8y s SER 59 N 1.24 6.85 -0.36 0.00 1.04 -1.26 -1.68 113.70 119.53 2d8y s SER 59 Ca 0.04 1.03 0.03 0.00 0.48 0.00 0.00 55.95 57.53 2d8y s SER 59 Cb -0.19 -2.38 0.11 0.00 0.10 0.00 0.00 66.02 63.66 2d8y s SER 59 CO -0.11 -0.15 0.10 -0.22 0.98 0.00 0.00 173.24 173.83 2d8y s LEU 60 N 1.15 4.06 -0.54 2.42 2.96 0.11 -4.70 118.68 124.14 2d8y s LEU 60 Ca 0.33 -2.20 0.00 0.00 -0.22 0.00 0.00 54.13 52.04 2d8y s LEU 60 Cb -0.17 -1.44 0.00 0.00 0.50 0.00 0.00 46.19 45.09 2d8y s LEU 60 CO 0.14 -0.36 0.00 1.41 -1.32 0.00 0.00 176.35 176.22 2d8y n HIS 61 N 4.18 -0.13 0.00 5.38 8.25 -1.26 -3.01 115.22 128.62 2d8y n HIS 61 Ca 0.03 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.49 2d8y n HIS 61 Cb 0.40 -1.55 0.00 0.00 1.12 0.00 0.00 29.99 29.96 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 -1.66 3.06 3.71 -1.41 0.00 -1.26 -5.05 105.19 102.58 2d8y n GLY 62 Ca -0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.53 4.50 0.28 1.61 1.81 -1.16 -5.02 118.95 120.43 2d8y s ARG 63 Ca 0.00 1.13 -0.20 0.00 -1.72 0.00 0.00 55.73 54.94 2d8y s ARG 63 Cb 0.00 -3.45 -0.09 0.00 -0.45 0.00 0.00 34.95 30.96 2d8y s ARG 63 CO 0.00 0.02 0.78 0.42 -0.68 0.00 0.00 175.30 175.84 2d8y s ILE 64 N 0.87 4.52 -0.03 1.52 -1.09 -1.26 0.06 121.20 125.78 2d8y s ILE 64 Ca 0.44 1.32 -0.15 0.00 -2.23 0.00 0.00 60.65 60.04 2d8y s ILE 64 Cb -0.19 -3.81 0.03 0.00 -1.58 0.00 0.00 42.46 36.90 2d8y s ILE 64 CO 0.23 0.07 0.33 -0.31 -1.23 0.00 0.00 174.94 174.02 2d8y s TYR 65 N -1.69 -0.23 0.09 3.97 2.02 -0.67 0.16 117.35 121.00 2d8y s TYR 65 Ca 0.48 0.40 -0.26 0.00 -0.37 0.00 0.00 57.07 57.32 2d8y s TYR 65 Cb -0.15 0.11 -0.06 0.00 -0.40 0.00 0.00 41.96 41.46 2d8y s TYR 65 CO 0.20 -0.36 0.81 0.00 -1.57 0.00 0.00 175.55 174.63 2d8y n LYS 67 N 2.47 -0.13 -0.01 0.00 4.01 -1.24 0.24 118.16 123.51 2d8y n LYS 67 Ca -0.02 0.77 -0.04 0.00 -0.51 0.00 0.00 58.31 58.51 2d8y n LYS 67 Cb 0.50 -1.14 -0.02 0.00 -0.51 0.00 0.00 35.03 33.85 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 -0.13 -0.65 1.97 0.11 -1.92 0.28 132.00 131.67 2d8y h PRO 68 Ca 0.17 0.01 0.02 0.00 0.11 0.00 0.00 66.00 66.30 2d8y h PRO 68 Cb 0.29 0.03 -0.04 0.00 0.11 0.00 0.00 31.00 31.39 2d8y h PRO 68 CO -0.49 -0.08 0.41 0.45 -0.21 0.00 0.00 178.00 178.07 2d8y h HIS 69 N -0.13 0.77 0.15 0.65 3.86 -1.23 -1.16 115.15 118.07 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 0.16 -0.26 -0.03 0.00 1.06 0.00 0.00 27.41 28.35 2d8y h HIS 69 CO -0.51 0.46 -0.35 0.35 0.86 0.00 0.00 177.93 178.74 2d8y h PHE 70 N 0.82 -1.01 0.00 2.45 3.04 0.17 0.47 116.94 122.87 2d8y h PHE 70 Ca 0.25 0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.22 2d8y h PHE 70 Cb -0.03 0.42 0.00 0.00 2.56 0.00 0.00 35.95 38.91 2d8y h PHE 70 CO -0.04 -0.42 0.00 -0.97 -2.02 0.00 0.00 178.31 174.86 2d8y h ASN 71 N -0.56 0.00 0.00 0.41 -1.24 -0.38 0.64 115.58 114.45 2d8y h ASN 71 Ca -0.01 0.00 -0.00 0.00 0.71 0.00 0.00 56.30 56.99 2d8y h ASN 71 Cb 0.53 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 39.58 2d8y h ASN 71 CO -0.15 0.00 -0.02 -0.61 -1.29 0.00 0.00 177.43 175.36 2d8y h GLN 72 N 0.00 0.00 -0.07 6.67 4.15 0.28 -2.60 115.11 123.54 2d8y h GLN 72 Ca 0.00 0.00 -0.23 0.00 0.77 0.00 0.00 58.65 59.19 2d8y h GLN 72 Cb 0.06 0.00 0.01 0.00 0.21 0.00 0.00 27.48 27.76 2d8y h GLN 72 CO 0.00 0.23 -0.87 -0.07 -1.93 0.00 0.00 178.83 176.20 2d8y h LEU 73 N -1.00 0.77 0.00 -2.39 3.38 0.08 -3.38 115.31 112.77 2d8y h LEU 73 Ca -0.00 -0.56 0.00 0.00 0.09 0.00 0.00 57.88 57.41 2d8y h LEU 73 Cb 0.25 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.77 2d8y h LEU 73 CO -0.00 1.35 0.00 0.49 0.09 0.00 0.00 178.44 180.36 2d8y n PHE 74 N -3.86 0.00 -2.63 1.13 3.01 0.22 -4.85 117.46 110.48 2d8y n PHE 74 Ca -0.08 0.00 -0.34 0.00 1.01 0.00 0.00 57.45 58.04 2d8y n PHE 74 Cb 0.79 -0.42 -0.05 0.00 -0.01 0.00 0.00 39.48 39.79 2d8y n PHE 74 CO 0.00 0.00 0.00 0.21 1.01 0.00 0.00 176.76 177.98 2d8y s LYS 75 N -1.52 4.03 -0.18 -1.08 2.36 -0.98 -5.03 119.74 117.36 2d8y s LYS 75 Ca 0.00 1.33 -0.30 0.00 -2.55 0.00 0.00 55.97 54.45 2d8y s LYS 75 Cb 0.00 -2.25 0.13 0.00 -1.05 0.00 0.00 37.83 34.66 2d8y s LYS 75 CO 0.00 -0.22 1.04 0.45 1.55 0.00 0.00 175.35 178.16 2d8y s SER 76 N -1.92 -0.33 -0.13 1.43 0.15 -1.26 -4.28 113.70 107.35 2d8y s SER 76 Ca 0.63 0.37 -0.36 0.00 0.70 0.00 0.00 55.95 57.29 2d8y s SER 76 Cb -0.16 0.28 -0.13 0.00 -1.71 0.00 0.00 66.02 64.31 2d8y s SER 76 CO 0.20 -0.30 1.83 1.17 1.20 0.00 0.00 173.24 177.34 2d8y n LYS 77 N 0.73 1.91 -1.89 5.44 0.00 -1.26 -4.86 118.16 118.24 2d8y n LYS 77 Ca -0.09 0.70 -0.42 0.00 0.00 0.00 0.00 58.31 58.50 2d8y n LYS 77 Cb 0.58 -2.50 -0.03 0.00 0.00 0.00 0.00 35.03 33.08 2d8y n LYS 77 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 2d8y s GLY 78 N 3.81 1.51 0.44 3.14 0.00 -1.26 -4.98 107.32 109.98 2d8y s GLY 78 Ca 0.94 1.08 -0.15 0.00 0.00 0.00 0.00 44.72 46.59 2d8y s GLY 78 CO 0.55 3.18 0.88 -1.31 0.00 0.00 0.00 173.10 176.40 2d8y s ASN 79 N 3.67 6.66 0.02 1.64 0.01 -1.26 -5.09 114.94 120.60 2d8y s ASN 79 Ca 0.79 1.42 -0.06 0.00 -0.71 0.00 0.00 52.86 54.30 2d8y s ASN 79 Cb -0.37 -2.44 -0.01 0.00 0.41 0.00 0.00 41.25 38.85 2d8y s ASN 79 CO 0.34 -0.45 0.10 -0.72 -1.51 0.00 0.00 177.10 174.86 2d8y s TYR 80 N -2.40 0.13 -0.91 2.20 1.13 -1.26 -4.84 117.35 111.40 2d8y s TYR 80 Ca 0.56 -0.34 0.00 0.00 -1.41 0.00 0.00 57.07 55.88 2d8y s TYR 80 Cb -0.10 -0.10 0.00 0.00 -1.10 0.00 0.00 41.96 40.66 2d8y s TYR 80 CO 0.27 -0.31 0.00 -3.47 -2.51 0.00 0.00 175.55 169.52 2d8y n ASP 81 N 1.16 -2.87 -2.23 -0.18 -0.08 -1.26 -4.79 116.55 106.30 2d8y n ASP 81 Ca -0.21 0.25 -0.31 0.00 -1.51 0.00 0.00 54.79 53.01 2d8y n ASP 81 Cb 0.57 -2.63 0.06 0.00 2.34 0.00 0.00 41.12 41.45 2d8y n ASP 81 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 2d8y n GLU 82 N -2.18 3.01 0.00 -0.67 -0.58 -1.26 -4.59 120.64 114.37 2d8y n GLU 82 Ca -0.10 -3.60 0.00 0.00 -0.42 0.00 0.00 57.16 53.04 2d8y n GLU 82 Cb 0.45 -2.29 0.00 0.00 -0.57 0.00 0.00 31.44 29.03 2d8y n GLU 82 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2d8y n GLY 83 N -0.84 0.07 3.69 0.62 0.00 -1.26 -5.12 105.19 102.34 2d8y n GLY 83 Ca 0.56 -0.04 -0.39 0.00 0.00 0.00 0.00 46.02 46.16 2d8y n GLY 83 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2d8y s PHE 84 N -0.99 3.47 -0.21 1.61 0.08 -1.26 -5.04 117.98 115.64 2d8y s PHE 84 Ca 0.00 0.99 -0.28 0.00 0.12 0.00 0.00 56.93 57.77 2d8y s PHE 84 Cb 0.00 -2.72 0.11 0.00 -0.57 0.00 0.00 43.02 39.84 2d8y s PHE 84 CO 0.00 0.00 0.95 0.20 -0.10 0.00 0.00 175.22 176.27 2d8y s GLY 85 N 0.92 -0.28 0.52 4.36 0.00 -1.26 -4.88 107.32 106.69 2d8y s GLY 85 Ca 0.30 2.20 -0.21 0.00 0.00 0.00 0.00 44.72 47.01 2d8y s GLY 85 CO 0.12 1.41 1.21 -0.45 0.00 0.00 0.00 173.10 175.39 2d8y s SER 86 N -0.44 5.73 0.03 1.64 0.15 -1.26 -5.03 113.70 114.51 2d8y s SER 86 Ca -0.01 2.40 -0.00 0.00 0.70 0.00 0.00 55.95 59.04 2d8y s SER 86 Cb -0.03 -2.61 0.00 0.00 -1.71 0.00 0.00 66.02 61.68 2d8y s SER 86 CO -0.01 -1.23 0.05 0.61 1.20 0.00 0.00 173.24 173.86 2d8y n GLY 87 N 0.48 3.00 3.70 9.45 0.00 -1.26 -5.13 105.19 115.43 2d8y n GLY 87 Ca 0.10 -1.38 -0.42 0.00 0.00 0.00 0.00 46.02 44.31 2d8y n GLY 87 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2d8y s PRO 88 N -2.07 4.30 -0.05 1.61 0.04 -1.26 -4.91 135.00 132.66 2d8y s PRO 88 Ca 0.03 2.03 -0.41 0.00 0.04 0.00 0.00 61.00 62.69 2d8y s PRO 88 Cb -0.00 -3.44 -0.20 0.00 0.04 0.00 0.00 34.50 30.90 2d8y s PRO 88 CO 0.02 -0.52 1.15 0.43 0.04 0.00 0.00 177.00 178.11 2d8y n SER 89 N 4.80 0.24 -4.73 6.66 7.64 -1.26 -4.83 113.62 122.13 2d8y n SER 89 Ca 0.13 1.16 -0.38 0.00 1.01 0.00 0.00 58.87 60.79 2d8y n SER 89 Cb 0.43 -0.93 0.06 0.00 -1.01 0.00 0.00 64.21 62.75 2d8y n SER 89 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2d8y n SER 90 N 1.85 2.26 0.00 6.43 2.88 -1.26 -5.35 113.62 120.44 2d8y n SER 90 Ca 0.21 0.90 0.00 0.00 -1.33 0.00 0.00 58.87 58.65 2d8y n SER 90 Cb 0.07 -1.55 0.00 0.00 -0.75 0.00 0.00 64.21 61.98 2d8y n SER 90 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42