#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 -0.10 0.04 1.61 0.15 -1.26 -5.16 113.70 108.98 2d8y s SER 2 Ca 0.00 0.29 -0.04 0.00 0.70 0.00 0.00 55.95 56.90 2d8y s SER 2 Cb 0.00 0.18 -0.02 0.00 -1.71 0.00 0.00 66.02 64.47 2d8y s SER 2 CO 0.00 -0.15 0.06 -0.44 1.20 0.00 0.00 173.24 173.91 2d8y s SER 3 N 1.18 0.22 0.00 5.45 0.01 -1.26 -5.15 113.70 114.15 2d8y s SER 3 Ca -0.09 -0.58 0.00 0.00 1.31 0.00 0.00 55.95 56.59 2d8y s SER 3 Cb -0.12 0.20 0.00 0.00 0.21 0.00 0.00 66.02 66.32 2d8y s SER 3 CO -0.06 -0.49 0.00 0.61 0.41 0.00 0.00 173.24 173.71 2d8y n GLY 4 N 0.82 -1.34 2.83 3.44 0.00 -1.26 -5.12 105.19 104.55 2d8y n GLY 4 Ca -0.19 -1.12 -0.27 0.00 0.00 0.00 0.00 46.02 44.44 2d8y n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2d8y s SER 5 N -4.00 2.60 0.21 1.61 0.01 -1.26 -5.13 113.70 107.74 2d8y s SER 5 Ca 0.00 -0.59 -0.00 0.00 1.31 0.00 0.00 55.95 56.67 2d8y s SER 5 Cb 0.00 -0.74 -0.04 0.00 0.21 0.00 0.00 66.02 65.45 2d8y s SER 5 CO 0.00 -0.22 0.11 -0.55 0.41 0.00 0.00 173.24 172.99 2d8y s SER 6 N 1.76 0.52 0.00 2.44 0.15 -1.26 -5.10 113.70 112.21 2d8y s SER 6 Ca 0.01 -1.37 0.00 0.00 0.70 0.00 0.00 55.95 55.29 2d8y s SER 6 Cb -0.15 0.30 0.00 0.00 -1.71 0.00 0.00 66.02 64.46 2d8y s SER 6 CO -0.07 -0.79 0.00 0.61 1.20 0.00 0.00 173.24 174.19 2d8y n GLY 7 N -0.32 0.59 3.07 9.45 0.00 -1.26 -5.13 105.19 111.60 2d8y n GLY 7 Ca 0.01 -1.05 -0.17 0.00 0.00 0.00 0.00 46.02 44.81 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 -1.89 0.70 -0.18 1.61 1.00 -1.26 -5.12 119.30 114.16 2d8y s MET 8 Ca 0.00 -0.62 -0.28 0.00 0.00 0.00 0.00 55.69 54.80 2d8y s MET 8 Cb 0.00 -0.63 -0.00 0.00 0.00 0.00 0.00 34.83 34.20 2d8y s MET 8 CO 0.00 0.15 0.97 0.21 0.00 0.00 0.00 175.02 176.35 2d8y s LYS 9 N -1.01 4.31 -0.11 2.03 2.36 -1.26 -5.04 119.74 121.03 2d8y s LYS 9 Ca -0.02 1.26 -0.02 0.00 -2.55 0.00 0.00 55.97 54.65 2d8y s LYS 9 Cb -0.07 -3.59 -0.03 0.00 -1.05 0.00 0.00 37.83 33.09 2d8y s LYS 9 CO 0.01 -0.45 -0.04 -0.59 1.55 0.00 0.00 175.35 175.83 2d8y s PHE 10 N 2.55 3.03 0.94 4.03 -0.71 -1.26 -5.10 117.98 121.46 2d8y s PHE 10 Ca 0.43 -0.06 -0.11 0.00 -1.04 0.00 0.00 56.93 56.15 2d8y s PHE 10 Cb -0.16 -1.83 0.13 0.00 -1.21 0.00 0.00 43.02 39.94 2d8y s PHE 10 CO 0.11 0.22 0.94 1.04 -1.34 0.00 0.00 175.22 176.19 2d8y n GLN 11 N 2.74 -0.52 0.31 1.99 1.13 -1.26 -4.96 117.38 116.80 2d8y n GLN 11 Ca -0.18 -0.09 -0.13 0.00 -1.94 0.00 0.00 57.00 54.66 2d8y n GLN 11 Cb 0.53 -2.23 -0.06 0.00 0.11 0.00 0.00 30.24 28.59 2d8y n GLN 11 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2d8y h ALA 12 N -1.86 -0.84 -2.16 -1.58 0.00 -2.02 -3.46 119.26 107.35 2d8y h ALA 12 Ca -0.44 -0.19 -0.43 0.00 0.00 0.00 0.00 54.91 53.85 2d8y h ALA 12 Cb 1.28 0.33 0.18 0.00 0.00 0.00 0.00 17.79 19.57 2d8y h ALA 12 CO 0.40 -0.79 0.15 -1.25 0.00 0.00 0.00 179.25 177.76 2d8y s PRO 13 N -4.35 -0.61 -0.98 0.00 0.04 -1.26 -4.87 135.00 122.98 2d8y s PRO 13 Ca -0.13 0.16 -0.24 0.00 0.04 0.00 0.00 61.00 60.83 2d8y s PRO 13 Cb 0.01 -1.65 -0.06 0.00 0.04 0.00 0.00 34.50 32.85 2d8y s PRO 13 CO 0.38 -3.35 1.95 0.00 0.04 0.00 0.00 177.00 176.02 2d8y s ALA 14 N -2.99 1.69 0.22 8.56 0.00 -1.26 -4.94 121.76 123.04 2d8y s ALA 14 Ca 0.69 -1.68 -0.15 0.00 0.00 0.00 0.00 51.96 50.82 2d8y s ALA 14 Cb -0.13 -4.59 -0.08 0.00 0.00 0.00 0.00 23.12 18.32 2d8y s ALA 14 CO 0.57 -4.94 0.64 0.50 0.00 0.00 0.00 175.76 172.53 2d8y s ARG 15 N 6.88 4.04 0.72 0.00 6.06 -1.26 -5.09 118.95 130.30 2d8y s ARG 15 Ca 0.70 0.61 0.01 0.00 -2.50 0.00 0.00 55.73 54.55 2d8y s ARG 15 Cb -0.05 -2.76 0.13 0.00 0.06 0.00 0.00 34.95 32.33 2d8y s ARG 15 CO 0.03 0.36 0.99 -1.21 -2.50 0.00 0.00 175.30 172.97 2d8y s GLU 16 N -2.32 1.65 -0.05 5.12 0.41 -1.26 -5.06 118.70 117.19 2d8y s GLU 16 Ca 0.44 -1.24 -0.22 0.00 -0.41 0.00 0.00 54.97 53.54 2d8y s GLU 16 Cb -0.14 -2.36 0.05 0.00 -1.78 0.00 0.00 34.13 29.90 2d8y s GLU 16 CO 0.20 -1.46 0.49 0.99 -0.49 0.00 0.00 175.26 174.98 2d8y s THR 17 N -3.12 0.03 0.14 3.63 2.01 -1.26 -3.54 115.64 113.53 2d8y s THR 17 Ca 0.67 -0.23 -0.31 0.00 0.31 0.00 0.00 61.69 62.13 2d8y s THR 17 Cb -0.05 -0.79 -0.09 0.00 0.01 0.00 0.00 72.50 71.58 2d8y s THR 17 CO 0.44 -0.13 1.48 0.00 -0.69 0.00 0.00 174.62 175.73 2d8y n VAL 19 N 3.94 0.55 0.04 0.00 0.24 -1.08 -1.48 118.33 120.54 2d8y n VAL 19 Ca 0.13 -0.32 -0.01 0.00 -2.04 0.00 0.00 64.34 62.10 2d8y n VAL 19 Cb 0.40 -0.24 -0.00 0.00 -1.47 0.00 0.00 33.84 32.53 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 0.12 0.04 0.00 7.34 -0.58 -1.26 -4.80 120.64 121.50 2d8y n GLU 20 Ca 0.07 0.02 0.12 0.00 -0.42 0.00 0.00 57.16 56.94 2d8y n GLU 20 Cb 0.38 -0.57 0.10 0.00 -0.57 0.00 0.00 31.44 30.77 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 1.19 -5.39 -5.06 0.00 3.00 -0.55 -4.99 117.38 105.58 2d8y n GLN 22 Ca 0.14 0.67 -0.29 0.00 -0.01 0.00 0.00 57.00 57.51 2d8y n GLN 22 Cb 0.58 -5.36 -0.16 0.00 0.00 0.00 0.00 30.24 25.30 2d8y n GLN 22 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.06 177.21 2d8y s LYS 23 N -5.90 2.10 -0.58 -1.09 1.02 -1.25 -4.83 119.74 109.21 2d8y s LYS 23 Ca 0.06 -0.76 -0.34 0.00 0.02 0.00 0.00 55.97 54.95 2d8y s LYS 23 Cb -0.03 -1.83 -0.15 0.00 -0.52 0.00 0.00 37.83 35.30 2d8y s LYS 23 CO 0.79 0.34 2.36 2.41 -0.92 0.00 0.00 175.35 180.34 2d8y n THR 24 N 2.96 0.06 -2.37 2.17 -1.04 -1.26 -1.01 114.28 113.78 2d8y n THR 24 Ca -0.17 -0.24 -0.42 0.00 -2.04 0.00 0.00 64.05 61.18 2d8y n THR 24 Cb 0.52 -1.33 -0.03 0.00 -1.82 0.00 0.00 70.33 67.67 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 8.43 3.93 0.53 12.58 1.01 -1.23 -4.88 120.40 140.78 2d8y s VAL 25 Ca 1.17 1.36 -0.08 0.00 0.00 0.00 0.00 61.98 64.42 2d8y s VAL 25 Cb -0.96 -3.87 -0.04 0.00 0.00 0.00 0.00 36.38 31.51 2d8y s VAL 25 CO 0.48 0.07 0.89 -0.31 0.00 0.00 0.00 175.10 176.23 2d8y s TYR 26 N 1.48 3.58 -2.00 5.22 1.51 -1.26 -4.71 117.35 121.17 2d8y s TYR 26 Ca 0.60 1.04 0.08 0.00 -1.01 0.00 0.00 57.07 57.78 2d8y s TYR 26 Cb -0.30 -2.49 0.50 0.00 -0.11 0.00 0.00 41.96 39.56 2d8y s TYR 26 CO 0.28 -0.43 0.95 -0.35 -1.11 0.00 0.00 175.55 174.88 2d8y n PRO 27 N -2.37 0.49 -0.03 -1.71 -0.04 -1.26 -1.72 135.00 128.36 2d8y n PRO 27 Ca 0.03 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.51 2d8y n PRO 27 Cb 0.55 -1.27 -0.10 0.00 -0.04 0.00 0.00 33.50 32.63 2d8y n PRO 27 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2d8y n MET 28 N -0.77 0.93 -0.37 0.54 0.00 -1.26 -4.55 117.12 111.64 2d8y n MET 28 Ca 0.06 -0.08 0.07 0.00 0.00 0.00 0.00 57.70 57.75 2d8y n MET 28 Cb 0.03 -1.32 0.14 0.00 0.00 0.00 0.00 33.22 32.07 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 -2.14 1.19 -2.72 3.17 0.28 -0.87 -4.99 120.64 114.57 2d8y n GLU 29 Ca -0.09 -2.64 -0.42 0.00 -0.16 0.00 0.00 57.16 53.85 2d8y n GLU 29 Cb 0.54 -1.36 -0.03 0.00 1.43 0.00 0.00 31.44 32.02 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 -2.57 3.16 -0.37 3.44 3.52 -0.70 -3.74 118.95 121.69 2d8y s ARG 30 Ca 0.31 -0.53 -0.10 0.00 -0.13 0.00 0.00 55.73 55.29 2d8y s ARG 30 Cb 0.29 -4.20 0.04 0.00 -1.56 0.00 0.00 34.95 29.52 2d8y s ARG 30 CO -0.02 -1.94 0.19 -1.17 -0.81 0.00 0.00 175.30 171.55 2d8y s LEU 31 N 4.80 4.70 -0.02 -0.88 0.20 0.03 -4.95 118.68 122.56 2d8y s LEU 31 Ca 0.28 -1.13 -0.30 0.00 0.69 0.00 0.00 54.13 53.68 2d8y s LEU 31 Cb -0.13 -1.98 -0.05 0.00 -0.43 0.00 0.00 46.19 43.60 2d8y s LEU 31 CO 0.13 -0.40 1.44 -0.22 -0.29 0.00 0.00 176.35 177.01 2d8y s LEU 32 N 1.49 4.31 -0.19 -0.68 1.98 -1.26 -1.06 118.68 123.27 2d8y s LEU 32 Ca 0.01 2.11 -0.04 0.00 -2.89 0.00 0.00 54.13 53.32 2d8y s LEU 32 Cb -0.20 -3.55 0.09 0.00 0.66 0.00 0.00 46.19 43.19 2d8y s LEU 32 CO 0.05 -0.76 0.25 0.00 -1.89 0.00 0.00 176.35 174.00 2d8y s ALA 33 N 2.77 -0.46 -0.88 5.97 0.00 -0.23 -4.88 121.76 124.04 2d8y s ALA 33 Ca 0.65 0.51 -0.06 0.00 0.00 0.00 0.00 51.96 53.06 2d8y s ALA 33 Cb -0.31 -1.30 0.01 0.00 0.00 0.00 0.00 23.12 21.51 2d8y s ALA 33 CO 0.26 -1.08 0.75 -1.71 0.00 0.00 0.00 175.76 173.98 2d8y n ASN 34 N 5.33 -4.83 -2.87 0.00 2.85 -1.26 -2.63 115.26 111.85 2d8y n ASN 34 Ca -0.05 -0.34 -0.22 0.00 -0.11 0.00 0.00 54.58 53.86 2d8y n ASN 34 Cb 0.50 -3.43 0.03 0.00 1.24 0.00 0.00 39.78 38.12 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 -3.40 -4.45 -3.85 1.20 6.02 -1.26 -4.99 117.38 106.66 2d8y n GLN 35 Ca 0.00 0.91 -0.12 0.00 -0.01 0.00 0.00 57.00 57.78 2d8y n GLN 35 Cb 0.54 -5.70 -0.10 0.00 1.02 0.00 0.00 30.24 26.00 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 -5.60 0.52 -0.22 -1.09 -0.21 -1.08 -5.13 119.66 106.86 2d8y s GLN 36 Ca 0.26 -0.36 -0.29 0.00 0.02 0.00 0.00 55.36 54.99 2d8y s GLN 36 Cb -0.12 0.22 0.00 0.00 1.00 0.00 0.00 33.01 34.12 2d8y s GLN 36 CO 0.32 -0.13 1.13 0.08 -2.12 0.00 0.00 175.29 174.58 2d8y s VAL 37 N -1.37 4.51 0.16 1.09 1.01 -1.26 -1.07 120.40 123.46 2d8y s VAL 37 Ca -0.14 1.81 0.07 0.00 0.00 0.00 0.00 61.98 63.72 2d8y s VAL 37 Cb -0.07 -4.20 -0.04 0.00 0.00 0.00 0.00 36.38 32.06 2d8y s VAL 37 CO 0.02 -0.20 -0.15 -0.36 0.00 0.00 0.00 175.10 174.41 2d8y s PHE 38 N 3.39 1.60 -0.15 5.22 0.08 -0.22 -2.63 117.98 125.27 2d8y s PHE 38 Ca 0.48 -0.56 -0.18 0.00 0.12 0.00 0.00 56.93 56.79 2d8y s PHE 38 Cb -0.17 -0.79 -0.04 0.00 -0.57 0.00 0.00 43.02 41.45 2d8y s PHE 38 CO 0.10 0.26 0.50 -1.01 -0.10 0.00 0.00 175.22 174.97 2d8y s HIS 39 N -2.52 3.45 0.64 0.36 3.76 -1.26 -0.79 115.29 118.93 2d8y s HIS 39 Ca 0.16 0.84 0.15 0.00 -0.15 0.00 0.00 55.06 56.06 2d8y s HIS 39 Cb -0.03 -2.61 0.66 0.00 1.11 0.00 0.00 32.58 31.71 2d8y s HIS 39 CO 0.05 0.05 1.32 0.82 -0.85 0.00 0.00 174.74 176.13 2d8y h ILE 40 N 4.90 0.03 0.00 0.60 5.03 -1.91 0.17 117.51 126.34 2d8y h ILE 40 Ca -0.38 0.00 -0.23 0.00 -0.12 0.00 0.00 64.86 64.13 2d8y h ILE 40 Cb 1.17 0.18 -0.03 0.00 -3.03 0.00 0.00 36.82 35.10 2d8y h ILE 40 CO 0.75 0.00 -1.63 -1.20 -0.68 0.00 0.00 178.15 175.39 2d8y n SER 41 N -2.86 1.92 -0.34 1.72 7.64 -1.26 -4.44 113.62 116.00 2d8y n SER 41 Ca 0.06 0.39 0.14 0.00 1.01 0.00 0.00 58.87 60.47 2d8y n SER 41 Cb 0.98 -0.83 0.35 0.00 -1.01 0.00 0.00 64.21 63.70 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 -4.72 0.71 -3.96 0.00 7.35 0.41 -4.81 117.46 112.43 2d8y n PHE 43 Ca 0.23 0.16 -0.09 0.00 -0.76 0.00 0.00 57.45 56.98 2d8y n PHE 43 Cb 0.59 -1.99 -0.05 0.00 0.35 0.00 0.00 39.48 38.38 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 8.31 1.48 0.32 -4.13 0.52 -1.26 -2.16 118.95 122.02 2d8y s ARG 44 Ca 1.19 -1.20 -0.28 0.00 -0.52 0.00 0.00 55.73 54.93 2d8y s ARG 44 Cb -0.72 0.47 -0.09 0.00 0.52 0.00 0.00 34.95 35.12 2d8y s ARG 44 CO 0.39 -0.61 1.10 0.00 0.02 0.00 0.00 175.30 176.20 2d8y n SER 46 N 0.83 2.11 0.09 0.00 2.88 0.13 -1.59 113.62 118.07 2d8y n SER 46 Ca 0.01 -2.12 0.00 0.00 -1.33 0.00 0.00 58.87 55.42 2d8y n SER 46 Cb 0.46 -0.53 0.00 0.00 -0.75 0.00 0.00 64.21 63.39 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 -1.31 -0.06 0.66 4.19 -1.26 -4.91 117.16 114.63 2d8y n TYR 47 Ca 0.04 0.23 -0.08 0.00 3.31 0.00 0.00 57.90 61.40 2d8y n TYR 47 Cb 0.45 0.33 -0.15 0.00 0.49 0.00 0.00 39.34 40.47 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 -2.85 -2.01 -4.62 0.00 5.15 -0.62 -4.97 115.26 105.33 2d8y n ASN 49 Ca -0.24 -0.16 -0.34 0.00 -0.60 0.00 0.00 54.58 53.24 2d8y n ASN 49 Cb 1.08 -1.66 -0.10 0.00 -0.53 0.00 0.00 39.78 38.56 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 -3.34 4.88 0.18 1.20 0.01 -1.26 -4.78 114.94 111.83 2d8y s ASN 50 Ca 0.00 0.04 -0.33 0.00 -0.71 0.00 0.00 52.86 51.86 2d8y s ASN 50 Cb -0.00 -1.28 -0.14 0.00 0.41 0.00 0.00 41.25 40.24 2d8y s ASN 50 CO 0.18 0.37 1.56 0.29 -1.51 0.00 0.00 177.10 177.99 2d8y n LYS 51 N 2.16 2.20 -4.76 -0.60 5.02 -1.26 -3.01 118.16 117.90 2d8y n LYS 51 Ca -0.18 0.79 -0.33 0.00 -2.02 0.00 0.00 58.31 56.57 2d8y n LYS 51 Cb 0.53 -2.55 -0.07 0.00 -0.02 0.00 0.00 35.03 32.92 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 0.73 2.24 0.09 -0.35 1.43 -0.92 -4.98 118.68 116.91 2d8y s LEU 52 Ca 0.76 -1.68 -0.09 0.00 -1.03 0.00 0.00 54.13 52.09 2d8y s LEU 52 Cb -0.65 -0.72 0.00 0.00 0.03 0.00 0.00 46.19 44.85 2d8y s LEU 52 CO 0.40 -0.90 0.21 -0.44 0.23 0.00 0.00 176.35 175.85 2d8y s SER 53 N -3.90 0.08 -0.92 2.29 0.01 -1.26 -4.94 113.70 105.07 2d8y s SER 53 Ca 0.03 -0.60 -0.24 0.00 1.31 0.00 0.00 55.95 56.45 2d8y s SER 53 Cb 0.01 0.35 -0.20 0.00 0.21 0.00 0.00 66.02 66.39 2d8y s SER 53 CO 0.02 -0.72 2.14 0.18 0.41 0.00 0.00 173.24 175.26 2d8y n LEU 54 N -0.00 1.14 0.00 2.44 4.77 -1.26 -1.30 117.00 122.78 2d8y n LEU 54 Ca -0.15 -2.03 0.00 0.00 -0.03 0.00 0.00 56.01 53.80 2d8y n LEU 54 Cb 0.62 -1.59 0.00 0.00 -2.33 0.00 0.00 43.42 40.12 2d8y n LEU 54 CO 0.22 -3.14 0.00 0.61 -1.33 0.00 0.00 177.39 173.75 2d8y n GLY 55 N 6.22 0.99 0.50 -0.72 0.00 -1.26 -4.96 105.19 105.95 2d8y n GLY 55 Ca 0.41 -0.05 0.07 0.00 0.00 0.00 0.00 46.02 46.45 2d8y n GLY 55 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2d8y n THR 56 N 0.00 1.67 -4.60 2.61 5.66 -0.42 -4.99 114.28 114.21 2d8y n THR 56 Ca 0.00 -1.61 -0.34 0.00 -3.05 0.00 0.00 64.05 59.05 2d8y n THR 56 Cb 0.00 0.05 -0.11 0.00 -1.55 0.00 0.00 70.33 68.72 2d8y n THR 56 CO 0.00 0.00 0.00 -0.72 -3.05 0.00 0.00 175.07 171.30 2d8y s TYR 57 N -2.10 2.95 -0.27 1.09 -0.85 -1.19 -3.57 117.35 113.41 2d8y s TYR 57 Ca 0.28 -0.00 -0.02 0.00 -0.52 0.00 0.00 57.07 56.81 2d8y s TYR 57 Cb 0.22 -1.73 0.09 0.00 0.38 0.00 0.00 41.96 40.91 2d8y s TYR 57 CO 0.08 0.30 0.07 0.00 -1.52 0.00 0.00 175.55 174.49 2d8y s ALA 58 N -0.71 1.30 0.31 9.51 0.00 0.52 -4.95 121.76 127.74 2d8y s ALA 58 Ca 0.11 -1.30 -0.15 0.00 0.00 0.00 0.00 51.96 50.62 2d8y s ALA 58 Cb -0.11 -1.45 -0.09 0.00 0.00 0.00 0.00 23.12 21.46 2d8y s ALA 58 CO 0.02 -1.49 0.72 0.45 0.00 0.00 0.00 175.76 175.45 2d8y s SER 59 N 1.73 6.77 -0.40 0.00 0.15 -1.26 -0.63 113.70 120.06 2d8y s SER 59 Ca 0.06 1.25 0.01 0.00 0.70 0.00 0.00 55.95 57.97 2d8y s SER 59 Cb -0.17 -2.36 0.14 0.00 -1.71 0.00 0.00 66.02 61.92 2d8y s SER 59 CO -0.20 -0.18 0.23 -0.22 1.20 0.00 0.00 173.24 174.07 2d8y s LEU 60 N -2.91 1.87 -0.50 3.45 2.96 0.26 -4.81 118.68 119.00 2d8y s LEU 60 Ca 0.53 -2.46 0.00 0.00 -0.22 0.00 0.00 54.13 51.98 2d8y s LEU 60 Cb -0.11 -0.72 0.00 0.00 0.50 0.00 0.00 46.19 45.86 2d8y s LEU 60 CO 0.18 -0.28 0.00 1.41 -1.32 0.00 0.00 176.35 176.34 2d8y n HIS 61 N 3.72 -0.13 0.00 5.38 8.25 -1.26 -3.22 115.22 127.97 2d8y n HIS 61 Ca 0.11 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.57 2d8y n HIS 61 Cb 0.36 -1.50 0.00 0.00 1.12 0.00 0.00 29.99 29.97 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 -1.67 1.88 3.67 -1.41 0.00 -1.26 -5.07 105.19 101.33 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 -0.13 4.30 0.21 1.61 1.81 -1.20 -5.03 118.95 120.53 2d8y s ARG 63 Ca 0.00 1.00 -0.28 0.00 -1.72 0.00 0.00 55.73 54.73 2d8y s ARG 63 Cb 0.00 -3.57 -0.09 0.00 -0.45 0.00 0.00 34.95 30.85 2d8y s ARG 63 CO 0.00 -0.31 0.87 0.42 -0.68 0.00 0.00 175.30 175.60 2d8y s ILE 64 N 2.08 4.21 -0.01 1.52 -1.09 -1.26 0.91 121.20 127.56 2d8y s ILE 64 Ca 0.38 1.91 -0.05 0.00 -2.23 0.00 0.00 60.65 60.65 2d8y s ILE 64 Cb -0.17 -4.23 0.00 0.00 -1.58 0.00 0.00 42.46 36.49 2d8y s ILE 64 CO 0.13 0.49 0.11 -0.31 -1.23 0.00 0.00 174.94 174.12 2d8y s TYR 65 N -1.19 0.04 0.14 3.97 2.02 0.20 0.22 117.35 122.74 2d8y s TYR 65 Ca 0.39 -0.09 -0.28 0.00 -0.37 0.00 0.00 57.07 56.73 2d8y s TYR 65 Cb -0.24 -0.05 -0.07 0.00 -0.40 0.00 0.00 41.96 41.20 2d8y s TYR 65 CO 0.29 -0.22 0.87 0.00 -1.57 0.00 0.00 175.55 174.92 2d8y n LYS 67 N 2.21 -0.13 -0.01 0.00 4.01 -1.23 0.25 118.16 123.25 2d8y n LYS 67 Ca -0.02 0.81 -0.05 0.00 -0.51 0.00 0.00 58.31 58.54 2d8y n LYS 67 Cb 0.49 -1.20 -0.03 0.00 -0.51 0.00 0.00 35.03 33.78 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 -0.18 -0.77 1.97 0.11 -1.92 0.38 132.00 131.60 2d8y h PRO 68 Ca 0.18 0.01 0.01 0.00 0.11 0.00 0.00 66.00 66.31 2d8y h PRO 68 Cb 0.31 0.04 -0.04 0.00 0.11 0.00 0.00 31.00 31.42 2d8y h PRO 68 CO -0.52 -0.12 0.51 0.45 -0.21 0.00 0.00 178.00 178.11 2d8y h HIS 69 N -0.19 0.96 0.09 0.65 3.86 -1.20 -2.21 115.15 117.11 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 0.23 -0.32 -0.00 0.00 1.06 0.00 0.00 27.41 28.37 2d8y h HIS 69 CO -0.52 0.60 -0.08 0.35 0.86 0.00 0.00 177.93 179.13 2d8y h PHE 70 N 1.03 -0.23 0.00 2.45 3.04 0.25 0.38 116.94 123.86 2d8y h PHE 70 Ca 0.28 0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.23 2d8y h PHE 70 Cb -0.11 0.09 0.00 0.00 2.56 0.00 0.00 35.95 38.49 2d8y h PHE 70 CO -0.02 -0.11 0.35 -0.91 -2.02 0.00 0.00 178.31 175.59 2d8y h ASN 71 N -0.17 0.00 0.00 0.41 2.35 -0.25 0.71 115.58 118.64 2d8y h ASN 71 Ca -0.01 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 2d8y h ASN 71 Cb 0.14 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.51 2d8y h ASN 71 CO -0.01 0.00 0.00 1.67 -1.65 0.00 0.00 177.43 177.44 2d8y n GLN 72 N -2.45 0.00 0.26 0.81 7.27 -0.55 -1.88 117.38 120.83 2d8y n GLN 72 Ca -0.01 0.36 0.09 0.00 0.07 0.00 0.00 57.00 57.50 2d8y n GLN 72 Cb 0.38 -0.85 0.66 0.00 2.41 0.00 0.00 30.24 32.84 2d8y n GLN 72 CO 0.00 0.00 0.00 -0.07 0.07 0.00 0.00 177.06 177.06 2d8y h LEU 73 N 0.00 0.00 0.00 1.69 3.38 0.01 -3.23 115.31 117.16 2d8y h LEU 73 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2d8y h LEU 73 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2d8y h LEU 73 CO 0.00 0.05 -0.08 -0.26 0.09 0.00 0.00 178.44 178.24 2d8y h PHE 74 N 0.00 0.00 -3.19 1.13 -1.00 0.28 -3.46 116.94 110.69 2d8y h PHE 74 Ca -0.00 0.00 -0.58 0.00 2.81 0.00 0.00 57.97 60.20 2d8y h PHE 74 Cb 0.09 0.00 -0.05 0.00 3.61 0.00 0.00 35.95 39.60 2d8y h PHE 74 CO 0.00 0.00 -0.08 0.15 -1.61 0.00 0.00 178.31 176.77 2d8y s LYS 75 N -1.41 4.15 -0.07 1.51 1.02 -0.79 -5.03 119.74 119.12 2d8y s LYS 75 Ca -0.02 0.64 -0.32 0.00 0.02 0.00 0.00 55.97 56.29 2d8y s LYS 75 Cb 0.00 -3.25 0.12 0.00 -0.52 0.00 0.00 37.83 34.18 2d8y s LYS 75 CO 0.03 0.60 1.19 0.45 -0.92 0.00 0.00 175.35 176.70 2d8y s SER 76 N -0.92 -0.13 -0.65 2.83 0.15 -1.26 -4.05 113.70 109.67 2d8y s SER 76 Ca 0.28 -0.09 0.01 0.00 0.70 0.00 0.00 55.95 56.85 2d8y s SER 76 Cb -0.18 0.20 0.38 0.00 -1.71 0.00 0.00 66.02 64.71 2d8y s SER 76 CO 0.17 -0.36 1.57 1.17 1.20 0.00 0.00 173.24 176.99 2d8y n LYS 77 N -0.30 3.15 -3.72 5.44 3.00 -1.26 -5.02 118.16 119.46 2d8y n LYS 77 Ca -0.05 -4.05 -0.23 0.00 -0.00 0.00 0.00 58.31 53.98 2d8y n LYS 77 Cb 0.61 -2.26 -0.02 0.00 0.00 0.00 0.00 35.03 33.35 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 -2.30 2.23 -0.00 3.14 0.00 -1.26 -5.13 107.32 103.99 2d8y s GLY 78 Ca 0.50 -1.65 -0.00 0.00 0.00 0.00 0.00 44.72 43.57 2d8y s GLY 78 CO -0.30 -1.83 0.07 0.21 0.00 0.00 0.00 173.10 171.26 2d8y s ASN 79 N -4.22 5.60 0.05 1.64 2.47 -1.26 -5.12 114.94 114.09 2d8y s ASN 79 Ca 0.42 0.12 -0.00 0.00 0.42 0.00 0.00 52.86 53.82 2d8y s ASN 79 Cb -0.02 -1.59 -0.03 0.00 -1.45 0.00 0.00 41.25 38.16 2d8y s ASN 79 CO 0.25 0.27 -0.04 -0.72 -3.72 0.00 0.00 177.10 173.15 2d8y s TYR 80 N -1.18 0.49 0.01 0.43 1.13 -1.26 -5.17 117.35 111.80 2d8y s TYR 80 Ca 0.23 -0.85 -0.02 0.00 -1.41 0.00 0.00 57.07 55.01 2d8y s TYR 80 Cb -0.12 -0.34 -0.01 0.00 -1.10 0.00 0.00 41.96 40.39 2d8y s TYR 80 CO 0.14 -0.28 0.04 0.34 -2.51 0.00 0.00 175.55 173.27 2d8y s ASP 81 N -2.40 0.12 -0.29 -0.18 2.15 -1.26 -5.06 116.67 109.75 2d8y s ASP 81 Ca -0.01 -0.30 0.08 0.00 0.43 0.00 0.00 52.55 52.76 2d8y s ASP 81 Cb 0.01 0.13 0.46 0.00 -0.30 0.00 0.00 42.92 43.23 2d8y s ASP 81 CO -0.06 -0.27 1.18 -0.62 -0.17 0.00 0.00 175.17 175.24 2d8y n GLU 82 N 1.84 3.47 -0.05 4.34 1.02 -1.26 -4.80 120.64 125.20 2d8y n GLU 82 Ca -0.21 -4.12 -0.15 0.00 -0.02 0.00 0.00 57.16 52.66 2d8y n GLU 82 Cb 0.56 -2.23 -0.13 0.00 -0.02 0.00 0.00 31.44 29.63 2d8y n GLU 82 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 2d8y h GLY 83 N 2.22 0.07 -6.48 0.62 0.00 -2.08 -3.45 103.07 93.96 2d8y h GLY 83 Ca 0.33 -0.15 -0.76 0.00 0.00 0.00 0.00 47.33 46.75 2d8y h GLY 83 CO 0.72 0.13 0.89 0.33 0.00 0.00 0.00 176.54 178.60 2d8y n PHE 84 N -4.56 1.99 0.00 5.60 -0.00 -1.26 -4.83 117.46 114.39 2d8y n PHE 84 Ca -0.10 0.64 0.00 0.00 -0.00 0.00 0.00 57.45 57.99 2d8y n PHE 84 Cb 0.50 -2.42 0.00 0.00 -0.00 0.00 0.00 39.48 37.56 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 4.27 4.03 0.13 7.13 0.00 -1.26 -5.05 105.19 114.45 2d8y n GLY 85 Ca 0.28 -0.52 -0.21 0.00 0.00 0.00 0.00 46.02 45.58 2d8y n GLY 85 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2d8y n SER 86 N 0.00 2.02 -2.24 1.61 2.88 -1.26 -5.07 113.62 111.57 2d8y n SER 86 Ca 0.00 0.07 -0.02 0.00 -1.33 0.00 0.00 58.87 57.59 2d8y n SER 86 Cb 0.00 -0.65 0.00 0.00 -0.75 0.00 0.00 64.21 62.81 2d8y n SER 86 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2d8y n GLY 87 N 2.01 -0.92 3.55 0.46 0.00 -1.26 -4.89 105.19 104.15 2d8y n GLY 87 Ca -0.41 0.41 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.31 2.60 -0.38 1.61 0.04 -1.26 -4.91 135.00 130.38 2d8y s PRO 88 Ca 0.07 0.32 -0.28 0.00 0.04 0.00 0.00 61.00 61.15 2d8y s PRO 88 Cb -0.02 -4.61 -0.08 0.00 0.04 0.00 0.00 34.50 29.84 2d8y s PRO 88 CO 0.39 -2.94 2.32 0.45 0.04 0.00 0.00 177.00 177.25 2d8y n SER 89 N 13.16 2.58 -4.16 6.66 2.88 -1.26 -4.91 113.62 128.58 2d8y n SER 89 Ca 0.27 -0.04 -0.18 0.00 -1.33 0.00 0.00 58.87 57.59 2d8y n SER 89 Cb 0.50 -1.49 -0.10 0.00 -0.75 0.00 0.00 64.21 62.37 2d8y n SER 89 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2d8y s SER 90 N 9.73 1.35 0.00 -3.46 0.01 -1.26 -5.33 113.70 114.73 2d8y s SER 90 Ca 1.03 -1.47 0.25 0.00 1.31 0.00 0.00 55.95 57.06 2d8y s SER 90 Cb -0.40 0.28 0.30 0.00 0.21 0.00 0.00 66.02 66.42 2d8y s SER 90 CO 0.34 -0.81 1.32 0.61 0.41 0.00 0.00 173.24 175.11