#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 -0.50 -0.09 1.61 0.01 -1.26 -5.18 113.70 108.29 2d8y s SER 2 Ca 0.00 0.09 -0.16 0.00 1.31 0.00 0.00 55.95 57.19 2d8y s SER 2 Cb 0.00 0.51 0.04 0.00 0.21 0.00 0.00 66.02 66.77 2d8y s SER 2 CO 0.00 -0.79 0.40 -0.44 0.41 0.00 0.00 173.24 172.82 2d8y s SER 3 N -2.43 -0.36 0.22 2.44 0.01 -1.26 -5.18 113.70 107.14 2d8y s SER 3 Ca 0.01 0.53 0.05 0.00 1.31 0.00 0.00 55.95 57.86 2d8y s SER 3 Cb -0.01 0.61 -0.05 0.00 0.21 0.00 0.00 66.02 66.78 2d8y s SER 3 CO -0.09 -0.30 -0.06 -0.83 0.41 0.00 0.00 173.24 172.37 2d8y s GLY 4 N -0.51 1.47 -0.07 3.44 0.00 -1.26 -5.16 107.32 105.23 2d8y s GLY 4 Ca -0.06 -1.71 -0.25 0.00 0.00 0.00 0.00 44.72 42.70 2d8y s GLY 4 CO 0.03 -1.70 0.57 -0.45 0.00 0.00 0.00 173.10 171.55 2d8y s SER 5 N -3.30 -0.53 0.21 1.64 0.15 -1.26 -5.18 113.70 105.43 2d8y s SER 5 Ca 0.25 0.63 0.09 0.00 0.70 0.00 0.00 55.95 57.62 2d8y s SER 5 Cb 0.03 0.59 -0.05 0.00 -1.71 0.00 0.00 66.02 64.89 2d8y s SER 5 CO 0.07 -0.50 -0.17 -0.44 1.20 0.00 0.00 173.24 173.40 2d8y s SER 6 N -0.97 2.80 0.00 5.45 0.01 -1.26 -5.02 113.70 114.71 2d8y s SER 6 Ca -0.10 -0.97 0.00 0.00 1.31 0.00 0.00 55.95 56.19 2d8y s SER 6 Cb -0.02 -0.17 0.00 0.00 0.21 0.00 0.00 66.02 66.04 2d8y s SER 6 CO 0.07 -0.09 0.00 0.61 0.41 0.00 0.00 173.24 174.24 2d8y n GLY 7 N -0.22 -0.16 3.71 3.44 0.00 -1.26 -5.14 105.19 105.56 2d8y n GLY 7 Ca -0.09 0.01 -0.42 0.00 0.00 0.00 0.00 46.02 45.53 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 4.51 -0.02 1.61 1.00 -1.26 -5.04 119.30 120.10 2d8y s MET 8 Ca 0.00 1.61 0.02 0.00 0.00 0.00 0.00 55.69 57.32 2d8y s MET 8 Cb 0.00 -3.39 0.00 0.00 0.00 0.00 0.00 34.83 31.44 2d8y s MET 8 CO 0.00 -0.13 -0.09 -1.59 0.00 0.00 0.00 175.02 173.21 2d8y s LYS 9 N 0.90 0.86 0.13 2.03 -2.85 -1.26 -5.15 119.74 114.41 2d8y s LYS 9 Ca 0.55 -0.29 -0.06 0.00 -1.00 0.00 0.00 55.97 55.16 2d8y s LYS 9 Cb -0.26 -0.82 -0.02 0.00 -2.06 0.00 0.00 37.83 34.68 2d8y s LYS 9 CO 0.29 0.12 0.19 -0.59 0.10 0.00 0.00 175.35 175.46 2d8y s PHE 10 N 0.11 0.47 0.14 1.78 -0.71 -1.26 -5.12 117.98 113.39 2d8y s PHE 10 Ca -0.02 -0.87 -0.35 0.00 -1.04 0.00 0.00 56.93 54.66 2d8y s PHE 10 Cb -0.07 -0.18 -0.15 0.00 -1.21 0.00 0.00 43.02 41.40 2d8y s PHE 10 CO 0.00 -0.61 1.39 0.94 -1.34 0.00 0.00 175.22 175.60 2d8y n GLN 11 N -0.13 1.55 -0.19 1.99 -0.06 -1.26 -4.87 117.38 114.40 2d8y n GLN 11 Ca -0.09 0.56 -0.06 0.00 -2.00 0.00 0.00 57.00 55.41 2d8y n GLN 11 Cb 0.63 -2.22 -0.05 0.00 -4.06 0.00 0.00 30.24 24.54 2d8y n GLN 11 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 2d8y h ALA 12 N 4.74 -0.35 -2.01 1.69 0.00 -2.03 -3.42 119.26 117.87 2d8y h ALA 12 Ca -0.46 0.05 -0.41 0.00 0.00 0.00 0.00 54.91 54.09 2d8y h ALA 12 Cb 1.31 1.15 0.19 0.00 0.00 0.00 0.00 17.79 20.43 2d8y h ALA 12 CO 0.80 -0.56 0.13 -1.25 0.00 0.00 0.00 179.25 178.36 2d8y s PRO 13 N -4.37 -1.26 -0.17 0.00 0.04 -1.26 -4.89 135.00 123.10 2d8y s PRO 13 Ca -0.07 -0.07 -0.29 0.00 0.04 0.00 0.00 61.00 60.61 2d8y s PRO 13 Cb 0.06 -1.59 -0.05 0.00 0.04 0.00 0.00 34.50 32.95 2d8y s PRO 13 CO 0.33 -3.73 2.09 0.00 0.04 0.00 0.00 177.00 175.73 2d8y s ALA 14 N -3.00 2.97 -0.08 8.56 0.00 -1.26 -4.97 121.76 123.98 2d8y s ALA 14 Ca 0.71 0.85 -0.01 0.00 0.00 0.00 0.00 51.96 53.51 2d8y s ALA 14 Cb -0.10 -4.00 -0.03 0.00 0.00 0.00 0.00 23.12 18.99 2d8y s ALA 14 CO 0.56 -2.45 -0.04 0.50 0.00 0.00 0.00 175.76 174.33 2d8y s ARG 15 N 5.76 2.89 0.21 0.00 3.52 -1.26 -5.10 118.95 124.98 2d8y s ARG 15 Ca 0.94 -0.49 0.04 0.00 -0.13 0.00 0.00 55.73 56.09 2d8y s ARG 15 Cb -0.34 -2.69 -0.03 0.00 -1.56 0.00 0.00 34.95 30.33 2d8y s ARG 15 CO 0.36 0.66 0.34 -1.21 -0.81 0.00 0.00 175.30 174.64 2d8y s GLU 16 N -0.78 3.44 0.01 5.12 2.02 -1.26 -5.05 118.70 122.20 2d8y s GLU 16 Ca 0.12 -0.67 -0.01 0.00 0.02 0.00 0.00 54.97 54.42 2d8y s GLU 16 Cb -0.11 -2.91 -0.01 0.00 0.10 0.00 0.00 34.13 31.20 2d8y s GLU 16 CO 0.02 0.45 0.01 0.99 0.02 0.00 0.00 175.26 176.75 2d8y s THR 17 N -1.90 0.09 0.17 3.63 2.01 -1.26 -1.96 115.64 116.42 2d8y s THR 17 Ca 0.35 -0.75 -0.30 0.00 0.31 0.00 0.00 61.69 61.30 2d8y s THR 17 Cb -0.10 -0.26 -0.08 0.00 0.01 0.00 0.00 72.50 72.08 2d8y s THR 17 CO 0.29 -0.41 1.16 0.00 -0.69 0.00 0.00 174.62 174.97 2d8y n VAL 19 N 2.56 1.13 0.00 0.00 0.24 -1.03 -1.50 118.33 119.74 2d8y n VAL 19 Ca 0.04 -0.63 -0.01 0.00 -2.04 0.00 0.00 64.34 61.70 2d8y n VAL 19 Cb 0.45 -0.24 -0.00 0.00 -1.47 0.00 0.00 33.84 32.58 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 0.37 0.01 -0.00 7.34 1.02 -1.26 -4.83 120.64 123.28 2d8y n GLU 20 Ca 0.13 0.01 0.06 0.00 -0.02 0.00 0.00 57.16 57.34 2d8y n GLU 20 Cb 0.61 -0.52 -0.08 0.00 -0.02 0.00 0.00 31.44 31.43 2d8y n GLU 20 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2d8y n GLN 22 N -1.48 -3.73 -4.83 0.00 1.13 -0.56 -5.01 117.38 102.90 2d8y n GLN 22 Ca 0.01 0.48 -0.26 0.00 -1.94 0.00 0.00 57.00 55.28 2d8y n GLN 22 Cb 0.23 -4.40 -0.16 0.00 0.11 0.00 0.00 30.24 26.02 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 -4.76 1.91 -0.63 -1.09 3.01 -1.25 -4.80 119.74 112.13 2d8y s LYS 23 Ca 0.00 -0.60 -0.37 0.00 -1.01 0.00 0.00 55.97 53.99 2d8y s LYS 23 Cb -0.00 -1.61 -0.18 0.00 -1.01 0.00 0.00 37.83 35.03 2d8y s LYS 23 CO 0.41 0.19 2.34 2.41 0.51 0.00 0.00 175.35 181.21 2d8y n THR 24 N 3.33 0.03 -2.38 2.17 -1.04 -1.26 -1.39 114.28 113.73 2d8y n THR 24 Ca -0.19 -0.10 -0.42 0.00 -2.04 0.00 0.00 64.05 61.30 2d8y n THR 24 Cb 0.53 -0.85 -0.03 0.00 -1.82 0.00 0.00 70.33 68.16 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 7.57 4.11 0.61 12.58 1.01 -0.83 -4.88 120.40 140.57 2d8y s VAL 25 Ca 1.22 1.43 -0.10 0.00 0.00 0.00 0.00 61.98 64.54 2d8y s VAL 25 Cb -1.22 -3.92 -0.02 0.00 0.00 0.00 0.00 36.38 31.21 2d8y s VAL 25 CO 0.55 -0.03 0.99 -0.31 0.00 0.00 0.00 175.10 176.30 2d8y s TYR 26 N 2.52 3.51 -2.00 5.22 1.51 -1.26 -4.56 117.35 122.29 2d8y s TYR 26 Ca 0.58 1.08 0.13 0.00 -1.01 0.00 0.00 57.07 57.85 2d8y s TYR 26 Cb -0.26 -2.72 0.77 0.00 -0.11 0.00 0.00 41.96 39.63 2d8y s TYR 26 CO 0.22 -0.73 1.19 -0.35 -1.11 0.00 0.00 175.55 174.77 2d8y n PRO 27 N -2.70 0.49 -0.05 -1.71 -0.04 -1.26 -1.55 135.00 128.18 2d8y n PRO 27 Ca 0.05 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.50 2d8y n PRO 27 Cb 0.55 -1.41 -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 -1.33 -0.04 0.00 0.00 175.50 174.13 2d8y n MET 28 N -0.91 1.07 -0.25 0.54 2.81 -1.26 -4.50 117.12 114.62 2d8y n MET 28 Ca 0.10 -0.07 0.09 0.00 -1.81 0.00 0.00 57.70 56.01 2d8y n MET 28 Cb 0.04 -1.40 0.16 0.00 -0.71 0.00 0.00 33.22 31.32 2d8y n MET 28 CO 0.00 0.00 0.00 -0.85 1.51 0.00 0.00 175.97 176.63 2d8y n GLU 29 N -2.38 1.38 -2.80 0.03 0.28 -0.92 -4.99 120.64 111.23 2d8y n GLU 29 Ca -0.16 -2.82 -0.43 0.00 -0.16 0.00 0.00 57.16 53.59 2d8y n GLU 29 Cb 0.78 -1.53 -0.04 0.00 1.43 0.00 0.00 31.44 32.08 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 -2.98 3.46 -0.31 3.44 3.52 -0.59 -3.75 118.95 121.74 2d8y s ARG 30 Ca 0.34 0.02 -0.00 0.00 -0.13 0.00 0.00 55.73 55.96 2d8y s ARG 30 Cb 0.31 -3.98 0.06 0.00 -1.56 0.00 0.00 34.95 29.78 2d8y s ARG 30 CO -0.00 -1.36 0.01 -1.17 -0.81 0.00 0.00 175.30 171.96 2d8y s LEU 31 N 3.94 4.04 0.04 -0.88 0.20 -0.23 -4.98 118.68 120.81 2d8y s LEU 31 Ca 0.35 -1.46 -0.30 0.00 0.69 0.00 0.00 54.13 53.41 2d8y s LEU 31 Cb -0.11 -1.69 -0.07 0.00 -0.43 0.00 0.00 46.19 43.90 2d8y s LEU 31 CO 0.24 -0.29 1.45 -0.22 -0.29 0.00 0.00 176.35 177.24 2d8y s LEU 32 N 1.18 4.34 -0.20 -0.68 1.98 -1.26 -1.12 118.68 122.92 2d8y s LEU 32 Ca -0.03 2.23 -0.04 0.00 -2.89 0.00 0.00 54.13 53.39 2d8y s LEU 32 Cb -0.20 -3.57 0.10 0.00 0.66 0.00 0.00 46.19 43.18 2d8y s LEU 32 CO -0.03 -0.74 0.33 0.00 -1.89 0.00 0.00 176.35 174.02 2d8y s ALA 33 N 2.19 -0.84 -1.15 5.97 0.00 -0.26 -4.89 121.76 122.79 2d8y s ALA 33 Ca 0.66 0.94 -0.05 0.00 0.00 0.00 0.00 51.96 53.51 2d8y s ALA 33 Cb -0.34 -1.37 0.01 0.00 0.00 0.00 0.00 23.12 21.41 2d8y s ALA 33 CO 0.28 -0.98 0.65 0.09 0.00 0.00 0.00 175.76 175.80 2d8y n ASN 34 N 5.36 -5.24 -2.71 0.00 4.13 -1.26 -2.32 115.26 113.21 2d8y n ASN 34 Ca -0.06 -0.30 -0.20 0.00 1.68 0.00 0.00 54.58 55.71 2d8y n ASN 34 Cb 0.50 -3.99 0.04 0.00 -1.54 0.00 0.00 39.78 34.78 2d8y n ASN 34 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2d8y n GLN 35 N -3.58 -4.68 -3.80 3.52 6.02 -1.26 -5.00 117.38 108.59 2d8y n GLN 35 Ca -0.05 0.78 -0.12 0.00 -0.01 0.00 0.00 57.00 57.59 2d8y n GLN 35 Cb 0.58 -5.39 -0.09 0.00 1.02 0.00 0.00 30.24 26.36 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 -5.64 0.61 -0.16 -1.09 -0.21 -0.98 -5.13 119.66 107.06 2d8y s GLN 36 Ca 0.30 -0.30 -0.29 0.00 0.02 0.00 0.00 55.36 55.09 2d8y s GLN 36 Cb -0.13 0.26 -0.01 0.00 1.00 0.00 0.00 33.01 34.13 2d8y s GLN 36 CO 0.37 -0.16 1.14 0.08 -2.12 0.00 0.00 175.29 174.60 2d8y s VAL 37 N -1.47 4.48 0.07 1.09 1.01 -1.26 -1.10 120.40 123.22 2d8y s VAL 37 Ca -0.13 1.78 0.06 0.00 0.00 0.00 0.00 61.98 63.69 2d8y s VAL 37 Cb -0.06 -4.15 -0.03 0.00 0.00 0.00 0.00 36.38 32.14 2d8y s VAL 37 CO 0.03 -0.11 -0.16 -0.36 0.00 0.00 0.00 175.10 174.50 2d8y s PHE 38 N 2.98 1.34 -0.20 5.22 0.08 -0.27 -2.48 117.98 124.66 2d8y s PHE 38 Ca 0.50 -0.44 -0.23 0.00 0.12 0.00 0.00 56.93 56.89 2d8y s PHE 38 Cb -0.19 -0.75 -0.02 0.00 -0.57 0.00 0.00 43.02 41.48 2d8y s PHE 38 CO 0.13 0.09 0.74 -1.01 -0.10 0.00 0.00 175.22 175.06 2d8y s HIS 39 N -1.20 3.37 0.57 0.36 3.76 -1.26 -1.07 115.29 119.83 2d8y s HIS 39 Ca 0.00 1.07 0.27 0.00 -0.15 0.00 0.00 55.06 56.25 2d8y s HIS 39 Cb -0.10 -2.92 0.91 0.00 1.11 0.00 0.00 32.58 31.58 2d8y s HIS 39 CO 0.03 -0.25 1.25 -0.89 -0.85 0.00 0.00 174.74 174.02 2d8y n ILE 40 N 4.85 0.00 -0.10 0.60 -0.00 -1.25 -0.18 119.36 123.30 2d8y n ILE 40 Ca 0.02 1.21 -0.15 0.00 -0.00 0.00 0.00 62.75 63.83 2d8y n ILE 40 Cb 0.49 -2.16 -0.06 0.00 -0.00 0.00 0.00 39.64 37.90 2d8y n ILE 40 CO 0.00 0.00 0.00 -0.24 -0.00 0.00 0.00 176.55 176.31 2d8y n SER 41 N -3.19 1.87 -0.32 4.38 2.88 -1.26 -4.37 113.62 113.61 2d8y n SER 41 Ca 0.23 0.48 0.13 0.00 -1.33 0.00 0.00 58.87 58.38 2d8y n SER 41 Cb 1.49 -0.88 0.31 0.00 -0.75 0.00 0.00 64.21 64.38 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 -4.92 0.83 -3.61 0.00 7.35 0.29 -4.83 117.46 112.57 2d8y n PHE 43 Ca 0.22 0.17 -0.12 0.00 -0.76 0.00 0.00 57.45 56.96 2d8y n PHE 43 Cb 0.61 -2.16 -0.05 0.00 0.35 0.00 0.00 39.48 38.22 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 8.42 1.03 0.25 -4.13 0.52 -1.26 -3.04 118.95 120.74 2d8y s ARG 44 Ca 1.17 -0.43 -0.31 0.00 -0.52 0.00 0.00 55.73 55.64 2d8y s ARG 44 Cb -0.67 0.46 -0.13 0.00 0.52 0.00 0.00 34.95 35.13 2d8y s ARG 44 CO 0.37 -0.38 1.50 0.00 0.02 0.00 0.00 175.30 176.81 2d8y n SER 46 N 2.35 0.00 0.00 0.00 3.41 -0.39 -0.20 113.62 118.78 2d8y n SER 46 Ca 0.11 -0.87 -0.01 0.00 -0.26 0.00 0.00 58.87 57.84 2d8y n SER 46 Cb 0.33 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.28 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 -0.79 0.00 0.02 7.33 4.19 -1.26 -4.84 117.16 121.81 2d8y n TYR 47 Ca 0.08 0.00 -0.03 0.00 3.31 0.00 0.00 57.90 61.26 2d8y n TYR 47 Cb 0.04 -0.06 -0.10 0.00 0.49 0.00 0.00 39.34 39.70 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 -2.99 -2.42 -4.54 0.00 5.15 0.71 -4.93 115.26 106.24 2d8y n ASN 49 Ca -0.11 -0.32 -0.36 0.00 -0.60 0.00 0.00 54.58 53.19 2d8y n ASN 49 Cb 0.92 -2.93 -0.11 0.00 -0.53 0.00 0.00 39.78 37.13 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 -3.62 5.46 0.01 1.20 0.01 -1.26 -4.68 114.94 112.06 2d8y s ASN 50 Ca 0.05 -0.07 -0.36 0.00 -0.71 0.00 0.00 52.86 51.77 2d8y s ASN 50 Cb -0.02 -1.97 -0.18 0.00 0.41 0.00 0.00 41.25 39.48 2d8y s ASN 50 CO 0.38 0.03 0.95 0.29 -1.51 0.00 0.00 177.10 177.25 2d8y n LYS 51 N 4.48 0.00 -3.98 -0.60 5.02 -1.26 -3.65 118.16 118.17 2d8y n LYS 51 Ca -0.16 0.00 -0.25 0.00 -2.02 0.00 0.00 58.31 55.88 2d8y n LYS 51 Cb 0.52 -1.35 -0.05 0.00 -0.02 0.00 0.00 35.03 34.13 2d8y n LYS 51 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2d8y n LEU 52 N 1.41 0.00 -3.77 -0.35 4.77 -1.17 -4.97 117.00 112.92 2d8y n LEU 52 Ca 0.18 -2.45 -0.13 0.00 -0.03 0.00 0.00 56.01 53.58 2d8y n LEU 52 Cb 0.08 0.23 -0.11 0.00 -2.33 0.00 0.00 43.42 41.30 2d8y n LEU 52 CO 0.56 -0.38 -0.04 -0.44 -1.33 0.00 0.00 177.39 175.77 2d8y s SER 53 N -3.23 -0.27 -0.46 -1.43 0.01 -1.26 -4.99 113.70 102.07 2d8y s SER 53 Ca 0.03 0.48 -0.42 0.00 1.31 0.00 0.00 55.95 57.35 2d8y s SER 53 Cb -0.00 0.54 -0.17 0.00 0.21 0.00 0.00 66.02 66.60 2d8y s SER 53 CO 0.02 -0.17 2.11 0.18 0.41 0.00 0.00 173.24 175.79 2d8y n LEU 54 N 2.59 1.13 0.00 2.44 4.77 -1.26 0.04 117.00 126.71 2d8y n LEU 54 Ca -0.15 0.66 0.00 0.00 -0.03 0.00 0.00 56.01 56.49 2d8y n LEU 54 Cb 0.57 -0.99 0.00 0.00 -2.33 0.00 0.00 43.42 40.68 2d8y n LEU 54 CO 0.18 -0.76 0.00 0.61 -1.33 0.00 0.00 177.39 176.09 2d8y n GLY 55 N 7.01 0.97 0.43 -0.72 0.00 -1.26 -4.87 105.19 106.75 2d8y n GLY 55 Ca 0.50 -0.23 0.09 0.00 0.00 0.00 0.00 46.02 46.38 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 0.00 -3.62 2.61 -2.24 0.11 -4.95 114.28 106.18 2d8y n THR 56 Ca 0.00 -0.32 -0.38 0.00 -2.27 0.00 0.00 64.05 61.08 2d8y n THR 56 Cb 0.00 1.23 -0.06 0.00 -2.10 0.00 0.00 70.33 69.40 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 -2.07 3.68 -0.37 4.78 -0.85 -1.17 -3.88 117.35 117.47 2d8y s TYR 57 Ca 0.16 0.83 0.03 0.00 -0.52 0.00 0.00 57.07 57.56 2d8y s TYR 57 Cb 0.15 -2.18 0.11 0.00 0.38 0.00 0.00 41.96 40.41 2d8y s TYR 57 CO 0.45 0.65 0.10 0.00 -1.52 0.00 0.00 175.55 175.24 2d8y s ALA 58 N -0.98 3.00 0.23 9.51 0.00 0.16 -4.97 121.76 128.71 2d8y s ALA 58 Ca 0.21 -2.61 -0.23 0.00 0.00 0.00 0.00 51.96 49.33 2d8y s ALA 58 Cb -0.15 -2.09 -0.09 0.00 0.00 0.00 0.00 23.12 20.80 2d8y s ALA 58 CO 0.10 -1.75 0.79 0.45 0.00 0.00 0.00 175.76 175.35 2d8y s SER 59 N 0.99 7.21 -0.92 0.00 0.15 -1.26 -0.22 113.70 119.65 2d8y s SER 59 Ca 0.11 1.58 -0.00 0.00 0.70 0.00 0.00 55.95 58.33 2d8y s SER 59 Cb -0.20 -2.48 0.31 0.00 -1.71 0.00 0.00 66.02 61.94 2d8y s SER 59 CO -0.07 0.06 1.42 -0.11 1.20 0.00 0.00 173.24 175.74 2d8y n LEU 60 N 0.91 6.08 -3.91 3.45 7.94 0.21 -4.81 117.00 126.87 2d8y n LEU 60 Ca -0.02 -5.38 -0.26 0.00 -1.11 0.00 0.00 56.01 49.24 2d8y n LEU 60 Cb 0.50 -1.04 -0.01 0.00 0.53 0.00 0.00 43.42 43.40 2d8y n LEU 60 CO 0.44 1.97 -0.21 0.00 -1.11 0.00 0.00 177.39 178.49 2d8y n HIS 61 N 0.54 -1.69 0.00 1.96 1.44 -1.26 -3.22 115.22 113.00 2d8y n HIS 61 Ca 0.35 0.70 0.00 0.00 -2.01 0.00 0.00 57.72 56.76 2d8y n HIS 61 Cb 0.33 -3.73 0.00 0.00 0.12 0.00 0.00 29.99 26.71 2d8y n HIS 61 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 2d8y n GLY 62 N -1.93 2.40 3.93 -1.39 0.00 -1.26 -5.12 105.19 101.82 2d8y n GLY 62 Ca -0.28 -0.40 -0.19 0.00 0.00 0.00 0.00 46.02 45.15 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 0.00 2.64 0.04 1.61 1.81 -1.20 -5.13 118.95 118.73 2d8y s ARG 63 Ca 0.00 -1.43 0.08 0.00 -1.72 0.00 0.00 55.73 52.66 2d8y s ARG 63 Cb 0.00 -2.52 -0.02 0.00 -0.45 0.00 0.00 34.95 31.95 2d8y s ARG 63 CO 0.00 -0.23 -0.22 0.42 -0.68 0.00 0.00 175.30 174.59 2d8y s ILE 64 N -2.43 1.75 -0.00 1.52 -1.09 -1.26 0.64 121.20 120.33 2d8y s ILE 64 Ca 0.51 -1.20 -0.20 0.00 -2.23 0.00 0.00 60.65 57.53 2d8y s ILE 64 Cb -0.06 -1.51 0.04 0.00 -1.58 0.00 0.00 42.46 39.35 2d8y s ILE 64 CO 0.30 0.27 0.44 -0.31 -1.23 0.00 0.00 174.94 174.41 2d8y s TYR 65 N -0.76 -0.34 0.05 3.97 1.51 0.69 -1.27 117.35 121.21 2d8y s TYR 65 Ca 0.08 0.47 -0.19 0.00 -1.01 0.00 0.00 57.07 56.43 2d8y s TYR 65 Cb -0.09 0.22 -0.06 0.00 -0.11 0.00 0.00 41.96 41.92 2d8y s TYR 65 CO 0.01 -0.51 0.55 0.00 -1.11 0.00 0.00 175.55 174.49 2d8y n LYS 67 N 1.89 -0.12 -0.01 0.00 4.01 -1.25 0.43 118.16 123.11 2d8y n LYS 67 Ca -0.10 0.59 -0.06 0.00 -0.51 0.00 0.00 58.31 58.23 2d8y n LYS 67 Cb 0.51 -0.87 -0.04 0.00 -0.51 0.00 0.00 35.03 34.12 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 -0.20 -0.60 1.97 0.11 -1.93 0.13 132.00 131.48 2d8y h PRO 68 Ca 0.11 0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.23 2d8y h PRO 68 Cb 0.20 0.05 -0.03 0.00 0.11 0.00 0.00 31.00 31.33 2d8y h PRO 68 CO -0.37 -0.13 0.37 0.45 -0.21 0.00 0.00 178.00 178.10 2d8y h HIS 69 N -0.21 0.78 -0.36 0.65 3.86 -0.95 -2.68 115.15 116.25 2d8y h HIS 69 Ca 0.02 0.00 0.08 0.00 -1.16 0.00 0.00 60.37 59.31 2d8y h HIS 69 Cb 0.26 -0.26 -0.08 0.00 1.06 0.00 0.00 27.41 28.38 2d8y h HIS 69 CO -0.53 0.52 -0.24 0.35 0.86 0.00 0.00 177.93 178.89 2d8y h PHE 70 N 0.81 -0.64 0.00 2.45 3.04 0.36 1.52 116.94 124.48 2d8y h PHE 70 Ca 0.22 0.05 0.00 0.00 3.98 0.00 0.00 57.97 62.21 2d8y h PHE 70 Cb -0.04 0.33 0.00 0.00 2.56 0.00 0.00 35.95 38.81 2d8y h PHE 70 CO -0.02 -0.32 0.00 -1.71 -2.02 0.00 0.00 178.31 174.24 2d8y n ASN 71 N -5.39 0.00 -0.01 0.41 5.15 0.43 0.91 115.26 116.75 2d8y n ASN 71 Ca 0.01 -0.75 0.01 0.00 -0.60 0.00 0.00 54.58 53.25 2d8y n ASN 71 Cb 0.30 0.00 -0.04 0.00 -0.53 0.00 0.00 39.78 39.51 2d8y n ASN 71 CO 0.00 0.00 0.00 1.67 1.40 0.00 0.00 177.26 180.33 2d8y n GLN 72 N -0.91 1.20 -0.04 1.20 7.27 0.23 -4.17 117.38 122.16 2d8y n GLN 72 Ca 0.13 -0.04 -0.01 0.00 0.07 0.00 0.00 57.00 57.15 2d8y n GLN 72 Cb 0.06 -1.14 -0.09 0.00 2.41 0.00 0.00 30.24 31.48 2d8y n GLN 72 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 2d8y n LEU 73 N -1.88 0.00 -0.10 1.69 4.77 0.46 -4.41 117.00 117.53 2d8y n LEU 73 Ca -0.04 0.00 -0.21 0.00 -0.03 0.00 0.00 56.01 55.74 2d8y n LEU 73 Cb 0.33 0.18 -0.10 0.00 -2.33 0.00 0.00 43.42 41.50 2d8y n LEU 73 CO 0.12 0.18 -0.63 0.49 -1.33 0.00 0.00 177.39 176.22 2d8y n PHE 74 N -2.25 0.85 -0.30 -1.77 3.01 0.26 -4.32 117.46 112.95 2d8y n PHE 74 Ca -0.13 0.37 0.10 0.00 1.01 0.00 0.00 57.45 58.81 2d8y n PHE 74 Cb 0.67 -1.04 0.27 0.00 -0.01 0.00 0.00 39.48 39.38 2d8y n PHE 74 CO 0.00 0.00 0.00 -0.22 1.01 0.00 0.00 176.76 177.55 2d8y h LYS 75 N -1.00 0.50 -5.39 -1.08 1.63 -1.71 -3.42 116.57 106.10 2d8y h LYS 75 Ca -0.35 -0.03 -0.76 0.00 -0.85 0.00 0.00 60.65 58.66 2d8y h LYS 75 Cb 1.25 -0.11 -0.01 0.00 -0.60 0.00 0.00 32.23 32.76 2d8y h LYS 75 CO -0.21 0.33 0.82 0.45 -3.45 0.00 0.00 179.45 177.39 2d8y n SER 76 N -4.96 0.94 -3.18 4.20 2.88 -1.26 -4.62 113.62 107.62 2d8y n SER 76 Ca 0.20 0.91 -0.43 0.00 -1.33 0.00 0.00 58.87 58.22 2d8y n SER 76 Cb 0.55 -0.80 -0.06 0.00 -0.75 0.00 0.00 64.21 63.16 2d8y n SER 76 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2d8y n LYS 77 N 4.71 0.00 -3.61 -1.46 5.02 -1.26 -4.92 118.16 116.64 2d8y n LYS 77 Ca 0.35 0.00 -0.06 0.00 -2.02 0.00 0.00 58.31 56.58 2d8y n LYS 77 Cb -0.05 -1.04 -0.05 0.00 -0.02 0.00 0.00 35.03 33.87 2d8y n LYS 77 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 2d8y s GLY 78 N 0.62 -0.10 -1.14 0.72 0.00 -1.26 -5.07 107.32 101.10 2d8y s GLY 78 Ca 0.66 2.40 -0.24 0.00 0.00 0.00 0.00 44.72 47.55 2d8y s GLY 78 CO 0.45 1.06 1.98 -1.31 0.00 0.00 0.00 173.10 175.28 2d8y s ASN 79 N -1.08 4.70 -0.02 1.64 0.01 -1.26 -4.50 114.94 114.43 2d8y s ASN 79 Ca 0.03 -1.42 0.04 0.00 -0.71 0.00 0.00 52.86 50.80 2d8y s ASN 79 Cb -0.01 -2.59 0.08 0.00 0.41 0.00 0.00 41.25 39.15 2d8y s ASN 79 CO -0.03 -3.41 1.06 -1.22 -1.51 0.00 0.00 177.10 171.99 2d8y n TYR 80 N 15.49 0.07 -0.71 2.20 4.02 -1.26 -5.05 117.16 131.92 2d8y n TYR 80 Ca 0.44 -0.57 -0.29 0.00 -0.01 0.00 0.00 57.90 57.47 2d8y n TYR 80 Cb 0.47 -0.06 0.20 0.00 -0.02 0.00 0.00 39.34 39.93 2d8y n TYR 80 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 2d8y s ASP 81 N -1.24 2.05 -1.23 7.72 2.15 -1.26 -3.07 116.67 121.78 2d8y s ASP 81 Ca 0.07 1.74 -0.12 0.00 0.43 0.00 0.00 52.55 54.67 2d8y s ASP 81 Cb 0.05 -2.37 0.12 0.00 -0.30 0.00 0.00 42.92 40.43 2d8y s ASP 81 CO 0.02 -3.57 0.31 -0.62 -0.17 0.00 0.00 175.17 171.14 2d8y n GLU 82 N -4.52 -0.84 -2.69 4.34 -0.58 -1.26 -4.75 120.64 110.35 2d8y n GLU 82 Ca 0.07 0.09 -0.07 0.00 -0.42 0.00 0.00 57.16 56.82 2d8y n GLU 82 Cb 0.54 -3.03 0.05 0.00 -0.57 0.00 0.00 31.44 28.43 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 -1.18 1.53 3.61 0.62 0.00 -1.17 -5.11 105.19 103.49 2d8y n GLY 83 Ca 0.01 -1.01 -0.28 0.00 0.00 0.00 0.00 46.02 44.74 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 -2.50 2.15 0.29 1.61 0.40 -1.26 -5.06 117.98 113.61 2d8y s PHE 84 Ca 0.25 -0.87 -0.29 0.00 -0.60 0.00 0.00 56.93 55.42 2d8y s PHE 84 Cb 0.43 -1.56 -0.09 0.00 0.51 0.00 0.00 43.02 42.30 2d8y s PHE 84 CO -0.00 0.22 1.07 0.20 0.70 0.00 0.00 175.22 177.41 2d8y s GLY 85 N -3.70 3.04 0.19 4.36 0.00 -1.26 -5.05 107.32 104.90 2d8y s GLY 85 Ca 0.26 0.84 0.10 0.00 0.00 0.00 0.00 44.72 45.92 2d8y s GLY 85 CO 0.13 1.42 -0.20 -0.56 0.00 0.00 0.00 173.10 173.89 2d8y s SER 86 N -1.00 3.04 0.00 1.64 0.01 -1.26 -5.10 113.70 111.03 2d8y s SER 86 Ca 0.45 -0.90 0.00 0.00 1.31 0.00 0.00 55.95 56.81 2d8y s SER 86 Cb -0.30 -0.21 0.00 0.00 0.21 0.00 0.00 66.02 65.72 2d8y s SER 86 CO 0.38 0.01 0.00 0.61 0.41 0.00 0.00 173.24 174.65 2d8y n GLY 87 N 0.08 2.75 3.75 3.44 0.00 -1.26 -5.07 105.19 108.88 2d8y n GLY 87 Ca -0.11 -1.96 -0.31 0.00 0.00 0.00 0.00 46.02 43.65 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 -2.92 1.93 0.00 1.61 0.04 -1.26 -5.07 135.00 129.33 2d8y s PRO 88 Ca 0.00 1.06 0.07 0.00 0.04 0.00 0.00 61.00 62.17 2d8y s PRO 88 Cb 0.00 -1.87 -0.02 0.00 0.04 0.00 0.00 34.50 32.65 2d8y s PRO 88 CO 0.00 -1.84 -0.22 -1.54 0.04 0.00 0.00 177.00 173.44 2d8y s SER 89 N -3.40 2.58 -0.57 6.66 1.04 -1.26 -5.07 113.70 113.68 2d8y s SER 89 Ca 0.62 -0.43 -0.26 0.00 0.48 0.00 0.00 55.95 56.35 2d8y s SER 89 Cb -0.17 -0.27 -0.04 0.00 0.10 0.00 0.00 66.02 65.64 2d8y s SER 89 CO 0.56 0.24 2.10 -0.55 0.98 0.00 0.00 173.24 176.58 2d8y s SER 90 N -0.70 4.89 0.00 7.02 0.15 -1.26 -5.34 113.70 118.46 2d8y s SER 90 Ca 0.08 0.64 0.00 0.00 0.70 0.00 0.00 55.95 57.38 2d8y s SER 90 Cb -0.09 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.71 2d8y s SER 90 CO -0.00 -2.62 0.38 0.61 1.20 0.00 0.00 173.24 172.82