#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 2.80 -0.02 1.61 0.01 -1.26 -5.12 113.70 111.72 2d8y s SER 2 Ca 0.00 -0.58 0.01 0.00 1.31 0.00 0.00 55.95 56.69 2d8y s SER 2 Cb 0.00 -1.10 0.01 0.00 0.21 0.00 0.00 66.02 65.14 2d8y s SER 2 CO 0.00 -0.11 -0.04 -0.55 0.41 0.00 0.00 173.24 172.95 2d8y s SER 3 N 1.52 0.71 -0.30 2.44 0.15 -1.26 -5.12 113.70 111.85 2d8y s SER 3 Ca 0.03 -0.10 -0.14 0.00 0.70 0.00 0.00 55.95 56.44 2d8y s SER 3 Cb -0.14 -0.22 0.18 0.00 -1.71 0.00 0.00 66.02 64.12 2d8y s SER 3 CO -0.09 0.00 1.08 -0.83 1.20 0.00 0.00 173.24 174.59 2d8y s GLY 4 N 0.39 -0.31 -0.30 9.45 0.00 -1.26 -5.15 107.32 110.14 2d8y s GLY 4 Ca -0.05 2.82 -0.07 0.00 0.00 0.00 0.00 44.72 47.42 2d8y s GLY 4 CO -0.00 3.84 0.64 -0.56 0.00 0.00 0.00 173.10 177.02 2d8y s SER 5 N 2.96 -1.22 0.16 1.64 0.01 -1.26 -5.17 113.70 110.82 2d8y s SER 5 Ca -0.02 1.31 -0.22 0.00 1.31 0.00 0.00 55.95 58.33 2d8y s SER 5 Cb -0.10 2.24 0.06 0.00 0.21 0.00 0.00 66.02 68.43 2d8y s SER 5 CO -0.11 -0.23 0.57 -0.44 0.41 0.00 0.00 173.24 173.45 2d8y s SER 6 N 2.88 -0.51 0.82 2.44 0.01 -1.26 -5.17 113.70 112.91 2d8y s SER 6 Ca 0.04 -0.07 -0.10 0.00 1.31 0.00 0.00 55.95 57.13 2d8y s SER 6 Cb -0.13 0.58 0.09 0.00 0.21 0.00 0.00 66.02 66.77 2d8y s SER 6 CO -0.20 -0.96 1.11 -0.83 0.41 0.00 0.00 173.24 172.77 2d8y s GLY 7 N -2.76 1.68 -0.97 3.44 0.00 -1.26 -4.96 107.32 102.48 2d8y s GLY 7 Ca 0.02 0.35 -0.13 0.00 0.00 0.00 0.00 44.72 44.96 2d8y s GLY 7 CO -0.12 0.73 0.97 1.06 0.00 0.00 0.00 173.10 175.74 2d8y s MET 8 N -4.83 3.85 -0.32 2.90 1.00 -1.26 -4.97 119.30 115.68 2d8y s MET 8 Ca 0.63 -2.67 0.02 0.00 0.00 0.00 0.00 55.69 53.67 2d8y s MET 8 Cb -0.19 -4.57 0.10 0.00 0.00 0.00 0.00 34.83 30.17 2d8y s MET 8 CO 0.57 -1.36 0.06 0.21 0.00 0.00 0.00 175.02 174.50 2d8y s LYS 9 N 0.02 1.20 0.21 2.03 2.20 -1.26 -5.09 119.74 119.05 2d8y s LYS 9 Ca 0.26 -1.46 -0.21 0.00 -0.36 0.00 0.00 55.97 54.19 2d8y s LYS 9 Cb -0.09 -2.66 0.04 0.00 -1.51 0.00 0.00 37.83 33.62 2d8y s LYS 9 CO -0.08 -0.92 0.63 -0.06 -0.36 0.00 0.00 175.35 174.56 2d8y s PHE 10 N 1.24 -0.32 0.13 4.03 0.08 -1.26 -5.13 117.98 116.74 2d8y s PHE 10 Ca 0.09 -0.01 -0.35 0.00 0.12 0.00 0.00 56.93 56.78 2d8y s PHE 10 Cb -0.18 0.58 -0.16 0.00 -0.57 0.00 0.00 43.02 42.69 2d8y s PHE 10 CO -0.15 -1.01 1.21 1.04 -0.10 0.00 0.00 175.22 176.21 2d8y n GLN 11 N -0.40 1.06 0.37 0.44 1.13 -1.26 -4.90 117.38 113.81 2d8y n GLN 11 Ca -0.11 0.38 -0.16 0.00 -1.94 0.00 0.00 57.00 55.17 2d8y n GLN 11 Cb 0.62 -1.92 -0.08 0.00 0.11 0.00 0.00 30.24 28.98 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 3.71 -0.94 -2.16 -1.58 0.00 -2.02 -3.46 119.26 112.81 2d8y h ALA 12 Ca -0.45 -0.22 -0.43 0.00 0.00 0.00 0.00 54.91 53.81 2d8y h ALA 12 Cb 1.35 0.37 0.18 0.00 0.00 0.00 0.00 17.79 19.68 2d8y h ALA 12 CO 0.72 -0.93 0.16 -1.25 0.00 0.00 0.00 179.25 177.95 2d8y s PRO 13 N -5.12 -0.57 -0.58 0.00 0.04 -1.26 -4.91 135.00 122.60 2d8y s PRO 13 Ca -0.16 0.16 -0.27 0.00 0.04 0.00 0.00 61.00 60.78 2d8y s PRO 13 Cb 0.02 -1.65 -0.01 0.00 0.04 0.00 0.00 34.50 32.89 2d8y s PRO 13 CO 0.50 -3.33 1.78 0.00 0.04 0.00 0.00 177.00 176.00 2d8y s ALA 14 N -2.99 2.34 0.97 8.56 0.00 -1.26 -4.98 121.76 124.40 2d8y s ALA 14 Ca 0.69 -0.59 -0.15 0.00 0.00 0.00 0.00 51.96 51.91 2d8y s ALA 14 Cb -0.13 -4.25 0.18 0.00 0.00 0.00 0.00 23.12 18.91 2d8y s ALA 14 CO 0.57 -3.63 1.20 -0.98 0.00 0.00 0.00 175.76 172.92 2d8y s ARG 15 N 6.66 0.65 0.01 0.00 1.70 -1.26 -5.06 118.95 121.66 2d8y s ARG 15 Ca 0.66 -0.02 -0.02 0.00 -0.47 0.00 0.00 55.73 55.88 2d8y s ARG 15 Cb -0.13 -1.81 -0.04 0.00 -0.57 0.00 0.00 34.95 32.40 2d8y s ARG 15 CO 0.22 -2.47 0.19 -1.21 -1.08 0.00 0.00 175.30 170.96 2d8y s GLU 16 N -5.53 3.44 0.06 3.89 8.01 -1.26 -5.05 118.70 122.25 2d8y s GLU 16 Ca 0.68 -0.36 0.03 0.00 0.01 0.00 0.00 54.97 55.34 2d8y s GLU 16 Cb -0.10 -3.08 -0.03 0.00 -4.31 0.00 0.00 34.13 26.62 2d8y s GLU 16 CO 0.53 0.65 -0.10 0.99 0.01 0.00 0.00 175.26 177.34 2d8y s THR 17 N -1.39 0.78 0.06 3.63 2.01 -1.26 -1.39 115.64 118.08 2d8y s THR 17 Ca 0.30 -1.19 -0.30 0.00 0.31 0.00 0.00 61.69 60.81 2d8y s THR 17 Cb -0.13 -0.82 -0.04 0.00 0.01 0.00 0.00 72.50 71.52 2d8y s THR 17 CO 0.22 -0.32 0.99 0.00 -0.69 0.00 0.00 174.62 174.81 2d8y n VAL 19 N 3.36 0.99 0.00 0.00 0.24 -1.02 -1.09 118.33 120.81 2d8y n VAL 19 Ca 0.04 -0.52 0.00 0.00 -2.04 0.00 0.00 64.34 61.83 2d8y n VAL 19 Cb 0.50 -0.36 0.00 0.00 -1.47 0.00 0.00 33.84 32.51 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 0.25 0.00 -0.00 7.34 -0.58 -1.26 -4.85 120.64 121.54 2d8y n GLU 20 Ca 0.10 0.00 0.03 0.00 -0.42 0.00 0.00 57.16 56.88 2d8y n GLU 20 Cb 0.58 -0.56 -0.05 0.00 -0.57 0.00 0.00 31.44 30.84 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 -1.40 -3.50 -4.82 0.00 1.13 -0.25 -5.01 117.38 103.55 2d8y n GLN 22 Ca 0.00 0.47 -0.27 0.00 -1.94 0.00 0.00 57.00 55.27 2d8y n GLN 22 Cb 0.14 -4.34 -0.16 0.00 0.11 0.00 0.00 30.24 25.99 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 -4.68 1.95 -0.62 -1.09 3.01 -1.25 -4.80 119.74 112.25 2d8y s LYS 23 Ca 0.02 -0.59 -0.40 0.00 -1.01 0.00 0.00 55.97 54.00 2d8y s LYS 23 Cb -0.00 -1.62 -0.19 0.00 -1.01 0.00 0.00 37.83 35.01 2d8y s LYS 23 CO 0.41 0.16 2.30 2.41 0.51 0.00 0.00 175.35 181.14 2d8y n THR 24 N 3.42 0.01 -2.59 2.17 -1.04 -1.26 -2.17 114.28 112.82 2d8y n THR 24 Ca -0.20 -0.03 -0.43 0.00 -2.04 0.00 0.00 64.05 61.35 2d8y n THR 24 Cb 0.53 -0.63 -0.02 0.00 -1.82 0.00 0.00 70.33 68.38 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 7.01 4.56 0.68 12.58 1.01 -0.49 -4.90 120.40 140.84 2d8y s VAL 25 Ca 1.23 1.86 -0.11 0.00 0.00 0.00 0.00 61.98 64.96 2d8y s VAL 25 Cb -1.36 -4.20 -0.00 0.00 0.00 0.00 0.00 36.38 30.82 2d8y s VAL 25 CO 0.59 -0.07 1.06 -0.31 0.00 0.00 0.00 175.10 176.38 2d8y s TYR 26 N 2.61 3.36 -2.00 5.22 1.51 -1.26 -4.54 117.35 122.25 2d8y s TYR 26 Ca 0.50 1.22 0.10 0.00 -1.01 0.00 0.00 57.07 57.88 2d8y s TYR 26 Cb -0.19 -2.90 0.61 0.00 -0.11 0.00 0.00 41.96 39.37 2d8y s TYR 26 CO 0.15 -1.05 1.05 -0.35 -1.11 0.00 0.00 175.55 174.24 2d8y n PRO 27 N -2.97 0.49 -0.05 -1.71 -0.04 -1.26 -1.51 135.00 127.95 2d8y n PRO 27 Ca 0.07 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.49 2d8y n PRO 27 Cb 0.55 -1.33 -0.11 0.00 -0.04 0.00 0.00 33.50 32.58 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 -0.83 1.53 -0.26 0.54 2.81 -1.26 -4.54 117.12 115.11 2d8y n MET 28 Ca 0.08 -0.03 0.08 0.00 -1.81 0.00 0.00 57.70 56.02 2d8y n MET 28 Cb 0.04 -1.34 0.18 0.00 -0.71 0.00 0.00 33.22 31.39 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 -2.37 1.75 -2.77 0.03 0.28 -0.94 -4.94 120.64 111.68 2d8y n GLU 29 Ca -0.17 -2.76 -0.43 0.00 -0.16 0.00 0.00 57.16 53.65 2d8y n GLU 29 Cb 0.80 -1.62 -0.03 0.00 1.43 0.00 0.00 31.44 32.03 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 -2.93 3.57 -0.40 3.44 3.52 -0.57 -3.77 118.95 121.82 2d8y s ARG 30 Ca 0.36 -1.45 -0.17 0.00 -0.13 0.00 0.00 55.73 54.33 2d8y s ARG 30 Cb 0.31 -5.06 0.01 0.00 -1.56 0.00 0.00 34.95 28.65 2d8y s ARG 30 CO 0.03 -1.95 0.44 -1.17 -0.81 0.00 0.00 175.30 171.84 2d8y s LEU 31 N 3.69 4.71 0.09 -0.88 0.20 0.18 -4.92 118.68 121.75 2d8y s LEU 31 Ca 0.38 -0.51 -0.31 0.00 0.69 0.00 0.00 54.13 54.38 2d8y s LEU 31 Cb -0.03 -2.41 -0.07 0.00 -0.43 0.00 0.00 46.19 43.25 2d8y s LEU 31 CO -0.09 -0.53 1.33 -0.22 -0.29 0.00 0.00 176.35 176.55 2d8y s LEU 32 N 2.17 4.36 -0.22 -0.68 1.98 -1.26 -0.86 118.68 124.17 2d8y s LEU 32 Ca 0.13 2.20 -0.05 0.00 -2.89 0.00 0.00 54.13 53.52 2d8y s LEU 32 Cb -0.17 -3.58 0.11 0.00 0.66 0.00 0.00 46.19 43.21 2d8y s LEU 32 CO 0.13 -0.60 0.42 0.00 -1.89 0.00 0.00 176.35 174.41 2d8y s ALA 33 N 1.23 -1.20 -1.22 5.97 0.00 -0.39 -4.91 121.76 121.24 2d8y s ALA 33 Ca 0.63 1.31 -0.07 0.00 0.00 0.00 0.00 51.96 53.82 2d8y s ALA 33 Cb -0.34 -1.50 0.01 0.00 0.00 0.00 0.00 23.12 21.29 2d8y s ALA 33 CO 0.29 -0.97 0.96 0.09 0.00 0.00 0.00 175.76 176.13 2d8y n ASN 34 N 5.38 -5.82 -3.43 0.00 3.02 -1.26 -2.24 115.26 110.91 2d8y n ASN 34 Ca -0.06 -0.44 -0.23 0.00 -0.03 0.00 0.00 54.58 53.82 2d8y n ASN 34 Cb 0.50 -4.47 0.07 0.00 -0.61 0.00 0.00 39.78 35.26 2d8y n ASN 34 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2d8y n GLN 35 N -4.33 -7.22 -3.75 3.52 6.02 -1.26 -4.99 117.38 105.37 2d8y n GLN 35 Ca -0.01 0.84 -0.13 0.00 -0.01 0.00 0.00 57.00 57.68 2d8y n GLN 35 Cb 0.56 -5.82 -0.09 0.00 1.02 0.00 0.00 30.24 25.92 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 -6.16 0.67 -0.19 -1.09 -0.21 -0.95 -5.13 119.66 106.60 2d8y s GLN 36 Ca 0.52 -0.17 -0.29 0.00 0.02 0.00 0.00 55.36 55.44 2d8y s GLN 36 Cb -0.23 0.30 -0.01 0.00 1.00 0.00 0.00 33.01 34.07 2d8y s GLN 36 CO 0.64 -0.18 1.22 0.08 -2.12 0.00 0.00 175.29 174.92 2d8y s VAL 37 N -1.30 4.36 0.09 1.09 1.01 -1.26 -1.27 120.40 123.12 2d8y s VAL 37 Ca -0.13 1.63 0.07 0.00 0.00 0.00 0.00 61.98 63.55 2d8y s VAL 37 Cb -0.05 -4.08 -0.03 0.00 0.00 0.00 0.00 36.38 32.22 2d8y s VAL 37 CO 0.04 -0.17 -0.17 -0.36 0.00 0.00 0.00 175.10 174.44 2d8y s PHE 38 N 3.50 1.48 -0.12 5.22 0.08 -0.04 -2.44 117.98 125.67 2d8y s PHE 38 Ca 0.52 -0.44 -0.23 0.00 0.12 0.00 0.00 56.93 56.90 2d8y s PHE 38 Cb -0.20 -0.82 -0.03 0.00 -0.57 0.00 0.00 43.02 41.40 2d8y s PHE 38 CO 0.13 0.13 0.70 -1.01 -0.10 0.00 0.00 175.22 175.07 2d8y s HIS 39 N -1.22 3.49 0.62 0.36 3.76 -1.26 -0.64 115.29 120.40 2d8y s HIS 39 Ca 0.02 1.16 0.21 0.00 -0.15 0.00 0.00 55.06 56.29 2d8y s HIS 39 Cb -0.10 -2.84 0.80 0.00 1.11 0.00 0.00 32.58 31.55 2d8y s HIS 39 CO 0.03 -0.04 1.33 0.82 -0.85 0.00 0.00 174.74 176.03 2d8y h ILE 40 N 4.95 0.04 0.00 0.60 5.03 -1.90 0.18 117.51 126.41 2d8y h ILE 40 Ca -0.36 0.00 -0.17 0.00 -0.12 0.00 0.00 64.86 64.21 2d8y h ILE 40 Cb 1.17 0.11 -0.03 0.00 -3.03 0.00 0.00 36.82 35.04 2d8y h ILE 40 CO 0.78 0.00 -1.33 -1.20 -0.68 0.00 0.00 178.15 175.72 2d8y n SER 41 N -3.10 1.89 -0.32 1.72 7.64 -1.26 -4.39 113.62 115.80 2d8y n SER 41 Ca 0.15 0.43 0.20 0.00 1.01 0.00 0.00 58.87 60.66 2d8y n SER 41 Cb 1.25 -0.85 0.45 0.00 -1.01 0.00 0.00 64.21 64.06 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 -4.67 0.62 -3.87 0.00 7.35 0.41 -4.80 117.46 112.49 2d8y n PHE 43 Ca 0.24 0.10 -0.09 0.00 -0.76 0.00 0.00 57.45 56.95 2d8y n PHE 43 Cb 0.77 -1.76 -0.04 0.00 0.35 0.00 0.00 39.48 38.79 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 8.13 1.47 0.34 -4.13 0.52 -1.26 -2.79 118.95 121.22 2d8y s ARG 44 Ca 1.19 -1.05 -0.27 0.00 -0.52 0.00 0.00 55.73 55.07 2d8y s ARG 44 Cb -0.68 0.50 -0.09 0.00 0.52 0.00 0.00 34.95 35.20 2d8y s ARG 44 CO 0.39 -0.62 1.10 0.00 0.02 0.00 0.00 175.30 176.19 2d8y n SER 46 N 0.61 2.03 0.07 0.00 2.88 0.23 -1.46 113.62 117.99 2d8y n SER 46 Ca 0.02 -2.16 0.00 0.00 -1.33 0.00 0.00 58.87 55.40 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 0.13 -1.01 -0.05 0.66 4.19 -1.26 -4.90 117.16 114.91 2d8y n TYR 47 Ca 0.05 0.18 -0.02 0.00 3.31 0.00 0.00 57.90 61.42 2d8y n TYR 47 Cb 0.46 0.32 -0.15 0.00 0.49 0.00 0.00 39.34 40.45 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 -2.62 -3.89 -4.57 0.00 5.15 -0.53 -4.96 115.26 103.85 2d8y n ASN 49 Ca -0.20 -0.28 -0.37 0.00 -0.60 0.00 0.00 54.58 53.13 2d8y n ASN 49 Cb 0.93 -2.78 -0.11 0.00 -0.53 0.00 0.00 39.78 37.28 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 -3.24 5.74 0.03 1.20 0.01 -1.26 -4.73 114.94 112.69 2d8y s ASN 50 Ca 0.25 -0.03 -0.38 0.00 -0.71 0.00 0.00 52.86 51.99 2d8y s ASN 50 Cb -0.11 -2.04 -0.19 0.00 0.41 0.00 0.00 41.25 39.31 2d8y s ASN 50 CO 0.37 0.00 1.05 1.17 -1.51 0.00 0.00 177.10 178.18 2d8y n LYS 51 N 4.69 0.16 -3.92 -0.60 4.81 -1.26 -3.67 118.16 118.37 2d8y n LYS 51 Ca -0.15 0.06 -0.25 0.00 -0.87 0.00 0.00 58.31 57.09 2d8y n LYS 51 Cb 0.52 -1.53 -0.03 0.00 0.02 0.00 0.00 35.03 34.01 2d8y n LYS 51 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 2d8y n LEU 52 N 1.67 0.00 -3.91 3.14 4.77 -1.12 -4.98 117.00 116.57 2d8y n LEU 52 Ca 0.19 -2.62 -0.11 0.00 -0.03 0.00 0.00 56.01 53.45 2d8y n LEU 52 Cb 0.11 0.14 -0.12 0.00 -2.33 0.00 0.00 43.42 41.22 2d8y n LEU 52 CO 0.61 -0.47 -0.30 -0.44 -1.33 0.00 0.00 177.39 175.46 2d8y s SER 53 N -3.61 0.09 -0.45 -1.43 0.01 -1.26 -4.96 113.70 102.09 2d8y s SER 53 Ca 0.13 -0.22 -0.39 0.00 1.31 0.00 0.00 55.95 56.78 2d8y s SER 53 Cb -0.01 0.12 -0.15 0.00 0.21 0.00 0.00 66.02 66.19 2d8y s SER 53 CO 0.08 -0.21 2.19 0.18 0.41 0.00 0.00 173.24 175.89 2d8y n LEU 54 N 2.09 1.40 0.00 2.44 4.77 -1.26 -0.79 117.00 125.65 2d8y n LEU 54 Ca -0.19 0.51 0.00 0.00 -0.03 0.00 0.00 56.01 56.30 2d8y n LEU 54 Cb 0.57 -1.08 0.00 0.00 -2.33 0.00 0.00 43.42 40.58 2d8y n LEU 54 CO 0.22 -0.76 0.00 0.61 -1.33 0.00 0.00 177.39 176.12 2d8y n GLY 55 N 6.99 3.50 0.14 -0.72 0.00 -1.26 -4.90 105.19 108.94 2d8y n GLY 55 Ca 0.49 -1.01 -0.23 0.00 0.00 0.00 0.00 46.02 45.27 2d8y n GLY 55 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2d8y h THR 56 N 0.00 1.14 -1.81 2.61 1.35 -1.39 -3.47 112.91 111.35 2d8y h THR 56 Ca 0.00 -2.56 -0.25 0.00 -0.55 0.00 0.00 66.41 63.05 2d8y h THR 56 Cb 0.00 2.91 0.14 0.00 -1.73 0.00 0.00 68.15 69.47 2d8y h THR 56 CO 0.00 0.80 -0.58 0.00 -0.25 0.00 0.00 175.52 175.49 2d8y n TYR 57 N -3.76 -2.01 -3.15 4.73 0.18 -1.16 -3.50 117.16 108.50 2d8y n TYR 57 Ca -0.21 0.15 0.05 0.00 1.88 0.00 0.00 57.90 59.77 2d8y n TYR 57 Cb 1.02 -1.41 -0.01 0.00 -0.38 0.00 0.00 39.34 38.57 2d8y n TYR 57 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 2d8y s ALA 58 N -2.08 -3.27 0.53 -3.48 0.00 0.14 -4.63 121.76 108.96 2d8y s ALA 58 Ca 0.34 1.43 0.01 0.00 0.00 0.00 0.00 51.96 53.75 2d8y s ALA 58 Cb -0.05 -2.54 0.03 0.00 0.00 0.00 0.00 23.12 20.56 2d8y s ALA 58 CO 0.37 -1.65 0.75 -1.54 0.00 0.00 0.00 175.76 173.69 2d8y s SER 59 N 2.92 5.38 0.03 0.00 1.04 -1.26 0.55 113.70 122.37 2d8y s SER 59 Ca 0.11 0.04 0.00 0.00 0.48 0.00 0.00 55.95 56.59 2d8y s SER 59 Cb -0.09 -1.00 0.00 0.00 0.10 0.00 0.00 66.02 65.03 2d8y s SER 59 CO -0.18 -1.06 0.00 -0.11 0.98 0.00 0.00 173.24 172.88 2d8y n LEU 60 N -2.29 0.09 -0.01 2.42 7.94 -1.17 -4.92 117.00 119.05 2d8y n LEU 60 Ca 0.07 0.05 -0.01 0.00 -1.11 0.00 0.00 56.01 55.01 2d8y n LEU 60 Cb 0.59 -0.00 -0.02 0.00 0.53 0.00 0.00 43.42 44.52 2d8y n LEU 60 CO 0.46 -0.54 -0.59 1.41 -1.11 0.00 0.00 177.39 177.01 2d8y n HIS 61 N -2.66 0.00 0.00 1.96 8.25 -1.26 -4.98 115.22 116.53 2d8y n HIS 61 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2d8y n HIS 61 Cb 0.00 -0.13 0.00 0.00 1.12 0.00 0.00 29.99 30.98 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 2.75 0.03 3.92 -1.41 0.00 -1.26 -5.15 105.19 104.08 2d8y n GLY 62 Ca -0.04 -0.02 -0.26 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.57 3.48 0.09 1.61 3.00 -1.26 -5.06 118.95 120.23 2d8y s ARG 63 Ca 0.00 0.04 -0.01 0.00 0.00 0.00 0.00 55.73 55.77 2d8y s ARG 63 Cb 0.00 -2.44 -0.04 0.00 0.00 0.00 0.00 34.95 32.47 2d8y s ARG 63 CO 0.00 -0.16 0.26 0.42 0.00 0.00 0.00 175.30 175.82 2d8y s ILE 64 N -2.66 5.33 -0.02 1.52 -1.09 -1.26 -3.07 121.20 119.95 2d8y s ILE 64 Ca 0.46 -0.33 -0.06 0.00 -2.23 0.00 0.00 60.65 58.49 2d8y s ILE 64 Cb -0.10 -3.65 0.01 0.00 -1.58 0.00 0.00 42.46 37.14 2d8y s ILE 64 CO 0.43 0.08 0.14 -0.31 -1.23 0.00 0.00 174.94 174.05 2d8y s TYR 65 N -1.58 -0.04 0.12 3.97 1.51 0.19 0.76 117.35 122.27 2d8y s TYR 65 Ca 0.36 0.09 -0.30 0.00 -1.01 0.00 0.00 57.07 56.21 2d8y s TYR 65 Cb -0.13 -0.01 -0.06 0.00 -0.11 0.00 0.00 41.96 41.66 2d8y s TYR 65 CO 0.27 -0.20 1.02 0.00 -1.11 0.00 0.00 175.55 175.54 2d8y n LYS 67 N 2.80 -0.11 -0.03 0.00 5.02 -1.23 -0.08 118.16 124.53 2d8y n LYS 67 Ca 0.03 0.89 -0.11 0.00 -2.02 0.00 0.00 58.31 57.11 2d8y n LYS 67 Cb 0.48 -1.32 -0.07 0.00 -0.02 0.00 0.00 35.03 34.10 2d8y n LYS 67 CO 0.00 0.00 0.00 -1.35 -0.52 0.00 0.00 177.40 175.53 2d8y h PRO 68 N 0.00 -0.37 -0.51 1.97 0.11 -1.91 0.11 132.00 131.40 2d8y h PRO 68 Ca 0.22 0.03 -0.02 0.00 0.11 0.00 0.00 66.00 66.34 2d8y h PRO 68 Cb 0.36 0.08 -0.02 0.00 0.11 0.00 0.00 31.00 31.54 2d8y h PRO 68 CO -0.58 -0.25 0.24 0.45 -0.21 0.00 0.00 178.00 177.65 2d8y h HIS 69 N -0.39 0.73 -0.17 0.65 3.86 -0.98 -2.74 115.15 116.13 2d8y h HIS 69 Ca 0.03 -0.04 0.05 0.00 -1.16 0.00 0.00 60.37 59.25 2d8y h HIS 69 Cb 0.47 -0.23 -0.07 0.00 1.06 0.00 0.00 27.41 28.65 2d8y h HIS 69 CO -0.58 0.58 -0.38 0.35 0.86 0.00 0.00 177.93 178.76 2d8y h PHE 70 N 0.67 -1.09 0.00 2.45 3.04 -0.02 0.67 116.94 122.66 2d8y h PHE 70 Ca 0.17 0.05 0.00 0.00 3.98 0.00 0.00 57.97 62.17 2d8y h PHE 70 Cb 0.13 0.50 0.00 0.00 2.56 0.00 0.00 35.95 39.14 2d8y h PHE 70 CO -0.00 -0.44 0.00 -1.71 -2.02 0.00 0.00 178.31 174.13 2d8y n ASN 71 N -5.43 0.00 -0.07 0.41 5.15 0.35 0.90 115.26 116.57 2d8y n ASN 71 Ca -0.03 -0.62 -0.09 0.00 -0.60 0.00 0.00 54.58 53.24 2d8y n ASN 71 Cb 0.35 0.00 -0.09 0.00 -0.53 0.00 0.00 39.78 39.50 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 -0.89 1.24 -0.06 1.20 7.27 0.18 -4.09 117.38 122.23 2d8y n GLN 72 Ca 0.09 0.04 -0.03 0.00 0.07 0.00 0.00 57.00 57.17 2d8y n GLN 72 Cb 0.04 -1.34 -0.15 0.00 2.41 0.00 0.00 30.24 31.20 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 -2.71 0.00 -0.06 1.69 4.77 0.17 -3.91 117.00 116.95 2d8y n LEU 73 Ca -0.25 0.00 -0.06 0.00 -0.03 0.00 0.00 56.01 55.67 2d8y n LEU 73 Cb 0.89 0.31 -0.05 0.00 -2.33 0.00 0.00 43.42 42.24 2d8y n LEU 73 CO 0.24 0.31 0.03 -0.26 -1.33 0.00 0.00 177.39 176.38 2d8y h PHE 74 N 0.00 0.00 -0.50 -1.77 -1.00 0.34 -3.37 116.94 110.64 2d8y h PHE 74 Ca -0.34 0.00 0.03 0.00 2.81 0.00 0.00 57.97 60.47 2d8y h PHE 74 Cb 1.74 0.00 -0.04 0.00 3.61 0.00 0.00 35.95 41.26 2d8y h PHE 74 CO 0.00 0.39 0.28 -0.22 -1.61 0.00 0.00 178.31 177.15 2d8y h LYS 75 N -1.00 0.54 -5.22 1.51 1.63 -1.71 -3.41 116.57 108.91 2d8y h LYS 75 Ca -0.02 -0.03 -0.48 0.00 -0.85 0.00 0.00 60.65 59.26 2d8y h LYS 75 Cb 0.44 -0.12 -0.05 0.00 -0.60 0.00 0.00 32.23 31.89 2d8y h LYS 75 CO -0.01 0.36 1.71 0.45 -3.45 0.00 0.00 179.45 178.50 2d8y n SER 76 N -4.84 1.02 -3.69 4.20 2.88 -1.25 -4.71 113.62 107.22 2d8y n SER 76 Ca 0.04 -0.09 -0.53 0.00 -1.33 0.00 0.00 58.87 56.96 2d8y n SER 76 Cb 0.10 -1.16 -0.08 0.00 -0.75 0.00 0.00 64.21 62.32 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 8.66 0.00 -2.67 -1.46 4.01 -1.26 -4.80 118.16 120.64 2d8y n LYS 77 Ca 0.55 0.00 -0.04 0.00 -0.51 0.00 0.00 58.31 58.31 2d8y n LYS 77 Cb 0.22 -1.19 0.07 0.00 -0.51 0.00 0.00 35.03 33.63 2d8y n LYS 77 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2d8y n GLY 78 N 3.57 -0.88 3.42 0.72 0.00 -1.26 -5.14 105.19 105.61 2d8y n GLY 78 Ca 0.27 0.44 -0.33 0.00 0.00 0.00 0.00 46.02 46.40 2d8y n GLY 78 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2d8y s ASN 79 N -0.35 4.34 0.33 1.61 3.84 -1.26 -5.11 114.94 118.34 2d8y s ASN 79 Ca 0.15 -0.25 0.05 0.00 0.21 0.00 0.00 52.86 53.02 2d8y s ASN 79 Cb 0.23 -1.69 -0.03 0.00 -0.55 0.00 0.00 41.25 39.21 2d8y s ASN 79 CO -0.12 0.16 0.21 -0.31 -2.79 0.00 0.00 177.10 174.25 2d8y s TYR 80 N 0.41 1.68 -0.00 0.43 2.02 -1.26 -5.10 117.35 115.53 2d8y s TYR 80 Ca -0.07 -1.51 -0.40 0.00 -0.37 0.00 0.00 57.07 54.71 2d8y s TYR 80 Cb -0.15 -0.82 -0.20 0.00 -0.40 0.00 0.00 41.96 40.40 2d8y s TYR 80 CO 0.04 -0.68 1.12 -0.25 -1.57 0.00 0.00 175.55 174.21 2d8y n ASP 81 N -1.28 0.22 -2.16 2.29 8.00 -1.26 -4.87 116.55 117.50 2d8y n ASP 81 Ca 0.03 1.16 -0.25 0.00 0.71 0.00 0.00 54.79 56.44 2d8y n ASP 81 Cb 0.64 -0.95 0.02 0.00 -0.02 0.00 0.00 41.12 40.80 2d8y n ASP 81 CO 0.00 0.00 0.00 -1.84 -0.39 0.00 0.00 177.20 174.97 2d8y n GLU 82 N 1.70 3.54 -2.05 -1.24 0.28 -1.26 -4.86 120.64 116.75 2d8y n GLU 82 Ca 0.20 -4.24 -0.39 0.00 -0.16 0.00 0.00 57.16 52.58 2d8y n GLU 82 Cb 0.09 -2.27 0.02 0.00 1.43 0.00 0.00 31.44 30.71 2d8y n GLU 82 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2d8y n GLY 83 N -0.65 5.51 0.15 -1.84 0.00 -1.26 -4.64 105.19 102.46 2d8y n GLY 83 Ca 0.43 -2.40 -0.16 0.00 0.00 0.00 0.00 46.02 43.89 2d8y n GLY 83 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 2d8y h PHE 84 N 3.41 0.63 0.00 1.61 -1.00 -2.01 -3.48 116.94 116.10 2d8y h PHE 84 Ca 0.55 -0.29 0.00 0.00 2.81 0.00 0.00 57.97 61.04 2d8y h PHE 84 Cb 0.21 -0.09 0.00 0.00 3.61 0.00 0.00 35.95 39.67 2d8y h PHE 84 CO 1.28 1.07 0.00 0.41 -1.61 0.00 0.00 178.31 179.46 2d8y n GLY 85 N 0.77 0.27 4.19 -1.45 0.00 -1.26 -5.02 105.19 102.69 2d8y n GLY 85 Ca -0.08 0.17 -0.33 0.00 0.00 0.00 0.00 46.02 45.78 2d8y n GLY 85 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2d8y n SER 86 N 0.00 -1.81 -4.75 1.61 7.64 -1.26 -4.86 113.62 110.19 2d8y n SER 86 Ca 0.00 -1.06 -0.39 0.00 1.01 0.00 0.00 58.87 58.43 2d8y n SER 86 Cb 0.00 -2.60 0.04 0.00 -1.01 0.00 0.00 64.21 60.64 2d8y n SER 86 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2d8y s GLY 87 N -3.73 2.89 0.00 0.23 0.00 -1.26 -4.86 107.32 100.59 2d8y s GLY 87 Ca 0.45 1.35 0.12 0.00 0.00 0.00 0.00 44.72 46.64 2d8y s GLY 87 CO 0.93 1.88 1.13 -1.55 0.00 0.00 0.00 173.10 175.50 2d8y n PRO 88 N -0.91 0.49 -1.09 2.90 -0.04 -1.26 -4.84 135.00 130.24 2d8y n PRO 88 Ca 0.10 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.27 2d8y n PRO 88 Cb 0.45 -1.38 -0.11 0.00 -0.04 0.00 0.00 33.50 32.42 2d8y n PRO 88 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2d8y n SER 89 N -0.88 0.11 -3.62 3.54 2.88 -1.26 -4.82 113.62 109.57 2d8y n SER 89 Ca 0.09 0.09 -0.16 0.00 -1.33 0.00 0.00 58.87 57.56 2d8y n SER 89 Cb 0.04 -0.65 -0.08 0.00 -0.75 0.00 0.00 64.21 62.77 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 6.05 1.00 0.00 -3.46 0.01 -1.26 -5.24 113.70 110.81 2d8y s SER 90 Ca 0.99 -1.56 0.00 0.00 1.31 0.00 0.00 55.95 56.69 2d8y s SER 90 Cb -0.90 0.52 0.00 0.00 0.21 0.00 0.00 66.02 65.86 2d8y s SER 90 CO 0.36 -1.04 0.00 0.61 0.41 0.00 0.00 173.24 173.58