#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 4.39 -0.75 1.61 1.04 -1.26 -5.06 113.70 113.68 2d8y s SER 2 Ca 0.00 -0.88 -0.26 0.00 0.48 0.00 0.00 55.95 55.29 2d8y s SER 2 Cb 0.00 -1.68 0.00 0.00 0.10 0.00 0.00 66.02 64.44 2d8y s SER 2 CO 0.00 -0.14 1.63 -0.94 0.98 0.00 0.00 173.24 174.78 2d8y s SER 3 N 1.33 5.69 0.00 7.02 1.04 -1.26 -4.94 113.70 122.58 2d8y s SER 3 Ca 0.00 -0.28 0.00 0.00 0.48 0.00 0.00 55.95 56.15 2d8y s SER 3 Cb -0.17 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.40 2d8y s SER 3 CO -0.04 -2.15 0.00 0.61 0.98 0.00 0.00 173.24 172.64 2d8y n GLY 4 N 5.90 1.40 3.28 7.32 0.00 -1.26 -5.13 105.19 116.70 2d8y n GLY 4 Ca 0.19 -1.56 0.03 0.00 0.00 0.00 0.00 46.02 44.69 2d8y n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2d8y s SER 5 N -1.00 -0.76 -0.29 1.61 1.04 -1.26 -5.16 113.70 107.88 2d8y s SER 5 Ca 0.00 0.70 -0.15 0.00 0.48 0.00 0.00 55.95 56.98 2d8y s SER 5 Cb 0.00 1.73 0.16 0.00 0.10 0.00 0.00 66.02 68.00 2d8y s SER 5 CO 0.00 -0.14 0.98 -0.94 0.98 0.00 0.00 173.24 174.12 2d8y s SER 6 N 2.75 -0.54 -0.29 7.02 1.04 -1.26 -5.15 113.70 117.28 2d8y s SER 6 Ca 0.03 0.80 0.00 0.00 0.48 0.00 0.00 55.95 57.26 2d8y s SER 6 Cb -0.10 1.41 0.18 0.00 0.10 0.00 0.00 66.02 67.61 2d8y s SER 6 CO -0.16 -0.12 0.55 -0.83 0.98 0.00 0.00 173.24 173.66 2d8y s GLY 7 N 1.83 -0.93 0.96 7.32 0.00 -1.26 -5.16 107.32 110.08 2d8y s GLY 7 Ca -0.06 1.46 -0.12 0.00 0.00 0.00 0.00 44.72 46.00 2d8y s GLY 7 CO -0.16 3.31 0.77 1.03 0.00 0.00 0.00 173.10 178.04 2d8y n MET 8 N 5.41 -0.54 -3.02 2.90 0.00 -1.26 -4.90 117.12 115.71 2d8y n MET 8 Ca -0.00 -0.11 -0.44 0.00 0.00 0.00 0.00 57.70 57.15 2d8y n MET 8 Cb 0.51 -2.11 -0.01 0.00 0.00 0.00 0.00 33.22 31.61 2d8y n MET 8 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 175.97 176.18 2d8y s LYS 9 N -4.13 3.88 -0.18 0.03 2.20 -1.26 -5.00 119.74 115.28 2d8y s LYS 9 Ca 0.62 -2.35 -0.08 0.00 -0.36 0.00 0.00 55.97 53.80 2d8y s LYS 9 Cb -0.22 -4.89 -0.04 0.00 -1.51 0.00 0.00 37.83 31.16 2d8y s LYS 9 CO 0.63 -1.66 0.10 -0.59 -0.36 0.00 0.00 175.35 173.47 2d8y s PHE 10 N 1.52 3.37 -0.45 4.03 -0.12 -1.26 -5.06 117.98 120.00 2d8y s PHE 10 Ca 0.35 0.26 -0.27 0.00 -0.05 0.00 0.00 56.93 57.22 2d8y s PHE 10 Cb -0.05 -2.09 0.03 0.00 -0.63 0.00 0.00 43.02 40.28 2d8y s PHE 10 CO -0.05 0.31 1.01 -0.65 -0.05 0.00 0.00 175.22 175.79 2d8y s GLN 11 N 0.14 3.67 0.10 1.99 -1.52 -1.26 -4.94 119.66 117.84 2d8y s GLN 11 Ca 0.07 0.42 -0.35 0.00 -1.95 0.00 0.00 55.36 53.55 2d8y s GLN 11 Cb -0.12 -3.89 -0.15 0.00 -0.22 0.00 0.00 33.01 28.63 2d8y s GLN 11 CO -0.00 -1.23 1.57 0.00 -0.25 0.00 0.00 175.29 175.37 2d8y h ALA 12 N 9.01 -1.03 0.00 6.09 0.00 -1.98 -0.58 119.26 130.76 2d8y h ALA 12 Ca -0.23 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.53 2d8y h ALA 12 Cb 1.07 0.79 0.00 0.00 0.00 0.00 0.00 17.79 19.65 2d8y h ALA 12 CO 1.06 -1.13 0.00 -0.35 0.00 0.00 0.00 179.25 178.83 2d8y n PRO 13 N -5.52 0.49 -3.61 0.00 -0.04 -1.26 -4.84 135.00 120.22 2d8y n PRO 13 Ca -0.10 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.16 2d8y n PRO 13 Cb 0.43 -1.27 0.05 0.00 -0.04 0.00 0.00 33.50 32.67 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 -0.77 -2.07 -1.77 0.55 0.00 -0.23 -4.94 120.51 111.28 2d8y n ALA 14 Ca 0.06 -0.13 -0.37 0.00 0.00 0.00 0.00 53.44 53.01 2d8y n ALA 14 Cb 0.03 -2.40 -0.02 0.00 0.00 0.00 0.00 19.45 17.06 2d8y n ALA 14 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2d8y s ARG 15 N -5.73 3.84 0.28 0.00 3.00 -1.26 -5.04 118.95 114.04 2d8y s ARG 15 Ca 0.05 1.71 0.02 0.00 -1.00 0.00 0.00 55.73 56.52 2d8y s ARG 15 Cb -0.01 -2.43 -0.03 0.00 0.00 0.00 0.00 34.95 32.48 2d8y s ARG 15 CO 0.79 -0.47 0.45 -1.21 0.00 0.00 0.00 175.30 174.86 2d8y s GLU 16 N -2.67 3.47 -0.01 5.12 8.01 -1.26 -4.97 118.70 126.40 2d8y s GLU 16 Ca 0.62 -0.50 -0.06 0.00 0.01 0.00 0.00 54.97 55.05 2d8y s GLU 16 Cb -0.27 -2.78 0.00 0.00 -4.31 0.00 0.00 34.13 26.77 2d8y s GLU 16 CO 0.33 0.30 0.12 0.99 0.01 0.00 0.00 175.26 177.01 2d8y s THR 17 N -2.11 0.07 0.26 3.63 2.01 -1.26 -2.39 115.64 115.84 2d8y s THR 17 Ca 0.37 -0.54 -0.30 0.00 0.31 0.00 0.00 61.69 61.54 2d8y s THR 17 Cb -0.10 -0.35 -0.10 0.00 0.01 0.00 0.00 72.50 71.96 2d8y s THR 17 CO 0.32 -0.30 1.34 0.00 -0.69 0.00 0.00 174.62 175.30 2d8y n VAL 19 N 1.94 1.03 0.01 0.00 0.24 -0.86 -1.99 118.33 118.70 2d8y n VAL 19 Ca 0.04 -0.68 -0.02 0.00 -2.04 0.00 0.00 64.34 61.64 2d8y n VAL 19 Cb 0.42 -0.02 -0.01 0.00 -1.47 0.00 0.00 33.84 32.76 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 0.57 0.08 -0.00 7.34 -0.58 -1.26 -4.82 120.64 121.97 2d8y n GLU 20 Ca 0.15 0.03 0.10 0.00 -0.42 0.00 0.00 57.16 57.02 2d8y n GLU 20 Cb 0.56 -0.64 -0.13 0.00 -0.57 0.00 0.00 31.44 30.66 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 -1.74 -4.16 -4.91 0.00 1.13 -0.84 -5.02 117.38 101.84 2d8y n GLN 22 Ca 0.01 0.54 -0.28 0.00 -1.94 0.00 0.00 57.00 55.33 2d8y n GLN 22 Cb 0.39 -4.62 -0.17 0.00 0.11 0.00 0.00 30.24 25.95 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 -4.85 2.19 -0.72 -1.09 1.02 -1.25 -4.82 119.74 110.21 2d8y s LYS 23 Ca 0.00 -0.65 -0.38 0.00 0.02 0.00 0.00 55.97 54.97 2d8y s LYS 23 Cb -0.00 -1.77 -0.20 0.00 -0.52 0.00 0.00 37.83 35.34 2d8y s LYS 23 CO 0.46 0.17 2.40 2.41 -0.92 0.00 0.00 175.35 179.87 2d8y n THR 24 N 3.45 0.00 -2.47 2.17 -1.04 -1.26 -1.89 114.28 113.24 2d8y n THR 24 Ca -0.20 -0.02 -0.42 0.00 -2.04 0.00 0.00 64.05 61.37 2d8y n THR 24 Cb 0.52 -0.58 -0.03 0.00 -1.82 0.00 0.00 70.33 68.43 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 7.49 4.24 0.54 12.58 1.01 -1.00 -4.88 120.40 140.37 2d8y s VAL 25 Ca 1.26 1.58 -0.07 0.00 0.00 0.00 0.00 61.98 64.75 2d8y s VAL 25 Cb -1.35 -4.01 -0.03 0.00 0.00 0.00 0.00 36.38 30.98 2d8y s VAL 25 CO 0.57 0.04 0.88 -0.31 0.00 0.00 0.00 175.10 176.29 2d8y s TYR 26 N 1.79 3.56 -2.00 5.22 1.51 -1.26 -4.60 117.35 121.58 2d8y s TYR 26 Ca 0.56 0.97 0.09 0.00 -1.01 0.00 0.00 57.07 57.68 2d8y s TYR 26 Cb -0.26 -2.49 0.52 0.00 -0.11 0.00 0.00 41.96 39.63 2d8y s TYR 26 CO 0.24 -0.47 0.97 -0.35 -1.11 0.00 0.00 175.55 174.83 2d8y n PRO 27 N -2.46 0.49 -0.02 -1.71 -0.04 -1.26 -1.57 135.00 128.42 2d8y n PRO 27 Ca 0.03 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.52 2d8y n PRO 27 Cb 0.55 -1.28 -0.11 0.00 -0.04 0.00 0.00 33.50 32.62 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 -0.78 0.80 -0.25 0.54 0.00 -1.26 -4.54 117.12 111.62 2d8y n MET 28 Ca 0.07 -0.10 0.08 0.00 0.00 0.00 0.00 57.70 57.75 2d8y n MET 28 Cb 0.03 -1.33 0.12 0.00 0.00 0.00 0.00 33.22 32.04 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 -2.11 1.08 -2.73 3.17 0.28 -0.86 -5.00 120.64 114.47 2d8y n GLU 29 Ca -0.07 -2.41 -0.43 0.00 -0.16 0.00 0.00 57.16 54.09 2d8y n GLU 29 Cb 0.51 -1.31 -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 -2.39 3.43 -0.28 3.44 3.52 -0.61 -3.65 118.95 122.41 2d8y s ARG 30 Ca 0.28 -0.00 -0.03 0.00 -0.13 0.00 0.00 55.73 55.85 2d8y s ARG 30 Cb 0.25 -4.02 0.04 0.00 -1.56 0.00 0.00 34.95 29.65 2d8y s ARG 30 CO 0.01 -1.55 -0.00 -1.17 -0.81 0.00 0.00 175.30 171.78 2d8y s LEU 31 N 4.36 3.68 -0.10 -0.88 0.20 -0.13 -4.97 118.68 120.83 2d8y s LEU 31 Ca 0.36 -1.05 -0.30 0.00 0.69 0.00 0.00 54.13 53.84 2d8y s LEU 31 Cb -0.10 -1.73 -0.02 0.00 -0.43 0.00 0.00 46.19 43.91 2d8y s LEU 31 CO 0.23 -0.21 1.18 -0.22 -0.29 0.00 0.00 176.35 177.03 2d8y s LEU 32 N 1.32 4.23 -0.20 -0.68 1.98 -1.26 -0.78 118.68 123.30 2d8y s LEU 32 Ca -0.02 1.71 -0.04 0.00 -2.89 0.00 0.00 54.13 52.89 2d8y s LEU 32 Cb -0.18 -3.55 0.09 0.00 0.66 0.00 0.00 46.19 43.21 2d8y s LEU 32 CO -0.01 -0.62 0.25 0.00 -1.89 0.00 0.00 176.35 174.07 2d8y s ALA 33 N 2.59 -0.42 -0.73 5.97 0.00 -0.50 -4.88 121.76 123.79 2d8y s ALA 33 Ca 0.54 0.45 -0.03 0.00 0.00 0.00 0.00 51.96 52.91 2d8y s ALA 33 Cb -0.22 -1.32 0.00 0.00 0.00 0.00 0.00 23.12 21.58 2d8y s ALA 33 CO 0.18 -1.12 0.42 -1.71 0.00 0.00 0.00 175.76 173.52 2d8y n ASN 34 N 5.33 -3.97 -3.15 0.00 5.15 -1.26 -3.00 115.26 114.37 2d8y n ASN 34 Ca -0.05 -0.19 -0.22 0.00 -0.60 0.00 0.00 54.58 53.52 2d8y n ASN 34 Cb 0.50 -2.73 0.06 0.00 -0.53 0.00 0.00 39.78 37.08 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 -2.52 -6.34 -3.76 1.20 6.02 -1.26 -5.00 117.38 105.73 2d8y n GLN 35 Ca -0.03 0.79 -0.13 0.00 -0.01 0.00 0.00 57.00 57.62 2d8y n GLN 35 Cb 0.55 -5.59 -0.08 0.00 1.02 0.00 0.00 30.24 26.13 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 -5.99 0.70 -0.14 -1.09 -0.21 -1.16 -5.13 119.66 106.62 2d8y s GLN 36 Ca 0.45 -0.24 -0.29 0.00 0.02 0.00 0.00 55.36 55.30 2d8y s GLN 36 Cb -0.20 0.31 -0.01 0.00 1.00 0.00 0.00 33.01 34.11 2d8y s GLN 36 CO 0.55 -0.20 1.13 0.08 -2.12 0.00 0.00 175.29 174.74 2d8y s VAL 37 N -1.53 4.49 0.06 1.09 1.01 -1.26 -1.41 120.40 122.85 2d8y s VAL 37 Ca -0.12 1.79 0.04 0.00 0.00 0.00 0.00 61.98 63.69 2d8y s VAL 37 Cb -0.04 -4.15 -0.03 0.00 0.00 0.00 0.00 36.38 32.16 2d8y s VAL 37 CO 0.03 -0.09 -0.12 -0.36 0.00 0.00 0.00 175.10 174.56 2d8y s PHE 38 N 2.80 1.05 -0.16 5.22 0.08 0.04 -2.03 117.98 124.98 2d8y s PHE 38 Ca 0.51 -0.45 -0.24 0.00 0.12 0.00 0.00 56.93 56.87 2d8y s PHE 38 Cb -0.20 -0.60 -0.02 0.00 -0.57 0.00 0.00 43.02 41.63 2d8y s PHE 38 CO 0.15 0.01 0.75 -1.01 -0.10 0.00 0.00 175.22 175.03 2d8y s HIS 39 N -1.24 3.43 0.57 0.36 3.76 -1.26 -0.95 115.29 119.97 2d8y s HIS 39 Ca -0.04 1.17 0.26 0.00 -0.15 0.00 0.00 55.06 56.30 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 0.02 -0.17 1.24 -0.89 -0.85 0.00 0.00 174.74 174.09 2d8y n ILE 40 N 4.56 0.00 -0.10 0.60 -0.00 -1.24 -0.22 119.36 122.96 2d8y n ILE 40 Ca 0.02 1.21 -0.16 0.00 -0.00 0.00 0.00 62.75 63.81 2d8y n ILE 40 Cb 0.49 -2.15 -0.07 0.00 -0.00 0.00 0.00 39.64 37.91 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 -3.18 1.88 -0.35 4.38 2.88 -1.26 -4.38 113.62 113.60 2d8y n SER 41 Ca 0.23 0.45 0.16 0.00 -1.33 0.00 0.00 58.87 58.38 2d8y n SER 41 Cb 1.49 -0.87 0.36 0.00 -0.75 0.00 0.00 64.21 64.44 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 -4.84 0.42 -3.70 0.00 7.35 0.35 -4.78 117.46 112.26 2d8y n PHE 43 Ca 0.26 -0.02 -0.11 0.00 -0.76 0.00 0.00 57.45 56.81 2d8y n PHE 43 Cb 0.68 -1.30 -0.06 0.00 0.35 0.00 0.00 39.48 39.14 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 7.44 0.92 0.36 -4.13 0.52 -1.26 -2.90 118.95 119.91 2d8y s ARG 44 Ca 0.99 -0.54 -0.28 0.00 -0.52 0.00 0.00 55.73 55.38 2d8y s ARG 44 Cb -0.46 0.40 -0.11 0.00 0.52 0.00 0.00 34.95 35.30 2d8y s ARG 44 CO 0.32 -0.32 1.51 0.00 0.02 0.00 0.00 175.30 176.82 2d8y n SER 46 N 0.74 1.13 0.06 0.00 7.64 0.51 -0.99 113.62 122.71 2d8y n SER 46 Ca 0.02 -2.05 0.00 0.00 1.01 0.00 0.00 58.87 57.85 2d8y n SER 46 Cb 0.38 -0.41 0.00 0.00 -1.01 0.00 0.00 64.21 63.17 2d8y n SER 46 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2d8y n TYR 47 N -0.03 -0.49 0.23 1.43 4.19 -1.26 -4.85 117.16 116.37 2d8y n TYR 47 Ca 0.02 0.09 0.11 0.00 3.31 0.00 0.00 57.90 61.43 2d8y n TYR 47 Cb 0.26 0.13 -0.09 0.00 0.49 0.00 0.00 39.34 40.14 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 -2.22 -4.76 -4.91 0.00 4.13 -0.16 -4.96 115.26 102.38 2d8y n ASN 49 Ca -0.01 -0.50 -0.32 0.00 1.68 0.00 0.00 54.58 55.43 2d8y n ASN 49 Cb 0.51 -4.55 -0.04 0.00 -1.54 0.00 0.00 39.78 34.16 2d8y n ASN 49 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 2d8y s ASN 50 N -3.56 6.39 0.14 6.41 2.20 -1.26 -4.77 114.94 120.49 2d8y s ASN 50 Ca 0.37 0.36 -0.31 0.00 -0.94 0.00 0.00 52.86 52.33 2d8y s ASN 50 Cb -0.16 -2.00 -0.09 0.00 -2.00 0.00 0.00 41.25 36.99 2d8y s ASN 50 CO 0.65 0.20 1.55 -0.54 -2.94 0.00 0.00 177.10 176.02 2d8y s LYS 51 N -2.22 4.23 0.48 3.55 -0.14 -1.26 -2.84 119.74 121.54 2d8y s LYS 51 Ca 0.32 2.30 0.02 0.00 -1.36 0.00 0.00 55.97 57.25 2d8y s LYS 51 Cb -0.13 -3.25 -0.02 0.00 -1.68 0.00 0.00 37.83 32.76 2d8y s LYS 51 CO 0.23 -0.60 0.05 -0.51 -0.76 0.00 0.00 175.35 173.76 2d8y s LEU 52 N 1.39 2.20 0.00 3.17 1.43 -1.14 -4.99 118.68 120.73 2d8y s LEU 52 Ca 0.70 -1.66 0.03 0.00 -1.03 0.00 0.00 54.13 52.16 2d8y s LEU 52 Cb -0.42 -0.52 -0.01 0.00 0.03 0.00 0.00 46.19 45.27 2d8y s LEU 52 CO 0.31 -0.88 0.10 -1.54 0.23 0.00 0.00 176.35 174.57 2d8y n SER 53 N -1.28 0.91 -1.88 2.29 3.41 -1.26 -4.94 113.62 110.87 2d8y n SER 53 Ca -0.15 -2.28 -0.06 0.00 -0.26 0.00 0.00 58.87 56.12 2d8y n SER 53 Cb 0.66 0.66 -0.09 0.00 -0.26 0.00 0.00 64.21 65.19 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 4.40 0.00 1.04 4.77 -1.26 -2.82 117.00 123.13 2d8y n LEU 54 Ca -0.02 -2.45 0.00 0.00 -0.03 0.00 0.00 56.01 53.51 2d8y n LEU 54 Cb 0.36 -1.09 0.00 0.00 -2.33 0.00 0.00 43.42 40.36 2d8y n LEU 54 CO 0.19 1.14 0.00 0.61 -1.33 0.00 0.00 177.39 178.00 2d8y n GLY 55 N 2.18 0.06 0.01 -0.72 0.00 -1.26 -4.93 105.19 100.54 2d8y n GLY 55 Ca 0.22 -0.03 0.11 0.00 0.00 0.00 0.00 46.02 46.31 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 -0.60 0.07 -1.49 2.61 -2.24 -1.18 -4.95 114.28 106.50 2d8y n THR 56 Ca 0.00 -0.12 -0.30 0.00 -2.27 0.00 0.00 64.05 61.36 2d8y n THR 56 Cb 0.00 0.45 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 -3.11 2.68 -0.30 4.78 -0.85 -1.13 -3.05 117.35 116.38 2d8y s TYR 57 Ca 0.06 1.11 -0.04 0.00 -0.52 0.00 0.00 57.07 57.68 2d8y s TYR 57 Cb 0.16 -3.17 0.17 0.00 0.38 0.00 0.00 41.96 39.50 2d8y s TYR 57 CO 0.80 -1.99 0.65 0.00 -1.52 0.00 0.00 175.55 173.49 2d8y s ALA 58 N -3.14 -2.29 0.03 9.51 0.00 -0.03 -4.79 121.76 121.05 2d8y s ALA 58 Ca 0.62 1.95 -0.00 0.00 0.00 0.00 0.00 51.96 54.53 2d8y s ALA 58 Cb -0.15 -2.09 -0.04 0.00 0.00 0.00 0.00 23.12 20.84 2d8y s ALA 58 CO 0.55 -1.23 0.16 -1.54 0.00 0.00 0.00 175.76 173.69 2d8y s SER 59 N 2.86 6.10 0.01 0.00 1.04 -1.26 0.16 113.70 122.61 2d8y s SER 59 Ca 0.13 0.22 -0.00 0.00 0.48 0.00 0.00 55.95 56.78 2d8y s SER 59 Cb -0.14 -1.83 -0.00 0.00 0.10 0.00 0.00 66.02 64.15 2d8y s SER 59 CO -0.20 0.22 -0.00 -0.11 0.98 0.00 0.00 173.24 174.12 2d8y n LEU 60 N 0.67 0.19 -0.00 2.42 7.94 -1.22 -4.95 117.00 122.04 2d8y n LEU 60 Ca -0.09 0.02 0.01 0.00 -1.11 0.00 0.00 56.01 54.84 2d8y n LEU 60 Cb 0.52 -0.09 -0.02 0.00 0.53 0.00 0.00 43.42 44.35 2d8y n LEU 60 CO 0.46 -0.54 -0.55 1.41 -1.11 0.00 0.00 177.39 177.06 2d8y n HIS 61 N -2.67 0.00 0.00 1.96 8.25 -1.26 -4.98 115.22 116.52 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 0.01 -0.09 0.00 0.00 1.12 0.00 0.00 29.99 31.03 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 2.49 0.06 3.87 -1.41 0.00 -1.26 -5.14 105.19 103.79 2d8y n GLY 62 Ca -0.02 -0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 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 3.81 0.38 1.61 0.52 -1.26 -5.06 118.95 118.96 2d8y s ARG 63 Ca 0.00 0.26 -0.07 0.00 -0.52 0.00 0.00 55.73 55.39 2d8y s ARG 63 Cb 0.00 -2.85 -0.05 0.00 0.52 0.00 0.00 34.95 32.57 2d8y s ARG 63 CO 0.00 0.45 0.70 0.42 0.02 0.00 0.00 175.30 176.89 2d8y s ILE 64 N -1.58 4.90 0.00 1.52 -1.09 -1.26 -3.39 121.20 120.29 2d8y s ILE 64 Ca 0.40 0.32 -0.16 0.00 -2.23 0.00 0.00 60.65 58.98 2d8y s ILE 64 Cb -0.13 -3.76 0.03 0.00 -1.58 0.00 0.00 42.46 37.01 2d8y s ILE 64 CO 0.20 -0.52 0.33 -0.31 -1.23 0.00 0.00 174.94 173.41 2d8y s TYR 65 N -2.35 -0.19 0.12 3.97 2.02 0.12 -0.36 117.35 120.69 2d8y s TYR 65 Ca 0.48 0.24 -0.24 0.00 -0.37 0.00 0.00 57.07 57.17 2d8y s TYR 65 Cb -0.10 0.12 -0.07 0.00 -0.40 0.00 0.00 41.96 41.50 2d8y s TYR 65 CO 0.34 -0.44 0.74 0.00 -1.57 0.00 0.00 175.55 174.62 2d8y n LYS 67 N 1.87 -0.15 -0.01 0.00 4.01 -1.17 0.29 118.16 123.00 2d8y n LYS 67 Ca -0.06 0.81 -0.04 0.00 -0.51 0.00 0.00 58.31 58.51 2d8y n LYS 67 Cb 0.49 -1.20 -0.03 0.00 -0.51 0.00 0.00 35.03 33.79 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 -0.16 -0.35 1.97 0.11 -1.92 0.14 132.00 131.79 2d8y h PRO 68 Ca 0.16 0.01 0.02 0.00 0.11 0.00 0.00 66.00 66.30 2d8y h PRO 68 Cb 0.29 0.04 -0.02 0.00 0.11 0.00 0.00 31.00 31.42 2d8y h PRO 68 CO -0.52 -0.10 0.20 0.45 -0.21 0.00 0.00 178.00 177.82 2d8y h HIS 69 N -0.16 0.37 -0.08 0.65 3.86 -1.26 -2.24 115.15 116.29 2d8y h HIS 69 Ca 0.01 0.01 0.02 0.00 -1.16 0.00 0.00 60.37 59.25 2d8y h HIS 69 Cb 0.20 -0.12 -0.04 0.00 1.06 0.00 0.00 27.41 28.51 2d8y h HIS 69 CO -0.51 0.21 -0.31 0.35 0.86 0.00 0.00 177.93 178.53 2d8y h PHE 70 N 0.41 -0.94 -0.25 2.45 3.04 0.14 0.50 116.94 122.28 2d8y h PHE 70 Ca 0.14 0.04 0.07 0.00 3.98 0.00 0.00 57.97 62.20 2d8y h PHE 70 Cb 0.02 0.42 -0.01 0.00 2.56 0.00 0.00 35.95 38.94 2d8y h PHE 70 CO -0.08 -0.31 0.34 -0.97 -2.02 0.00 0.00 178.31 175.27 2d8y h ASN 71 N -0.33 0.00 0.05 0.41 -1.24 -0.67 0.97 115.58 114.77 2d8y h ASN 71 Ca 0.02 0.00 -0.00 0.00 0.71 0.00 0.00 56.30 57.03 2d8y h ASN 71 Cb 0.39 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.44 2d8y h ASN 71 CO -0.26 0.00 -0.02 -0.61 -1.29 0.00 0.00 177.43 175.25 2d8y h GLN 72 N 0.00 -0.06 -0.19 6.67 4.15 -0.05 0.78 115.11 126.42 2d8y h GLN 72 Ca 0.12 0.00 -0.04 0.00 0.77 0.00 0.00 58.65 59.50 2d8y h GLN 72 Cb 0.80 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.50 2d8y h GLN 72 CO -0.00 -0.04 -0.06 -0.07 -1.93 0.00 0.00 178.83 176.72 2d8y h LEU 73 N -0.39 0.26 0.00 -2.39 3.38 0.10 -3.29 115.31 112.99 2d8y h LEU 73 Ca -0.01 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.92 2d8y h LEU 73 Cb 0.05 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.73 2d8y h LEU 73 CO 0.01 0.37 -0.05 -0.26 0.09 0.00 0.00 178.44 178.60 2d8y h PHE 74 N 0.27 0.00 -3.99 1.13 -1.00 0.83 -3.48 116.94 110.72 2d8y h PHE 74 Ca 0.06 0.00 -0.48 0.00 2.81 0.00 0.00 57.97 60.36 2d8y h PHE 74 Cb 0.29 0.00 0.07 0.00 3.61 0.00 0.00 35.95 39.92 2d8y h PHE 74 CO 0.01 0.00 0.27 0.21 -1.61 0.00 0.00 178.31 177.19 2d8y s LYS 75 N -1.36 2.71 -0.02 1.51 2.47 0.27 -5.02 119.74 120.29 2d8y s LYS 75 Ca -0.02 0.10 -0.25 0.00 -1.56 0.00 0.00 55.97 54.24 2d8y s LYS 75 Cb 0.00 -2.16 0.06 0.00 -1.46 0.00 0.00 37.83 34.27 2d8y s LYS 75 CO 0.02 -0.96 0.56 -1.54 0.16 0.00 0.00 175.35 173.60 2d8y s SER 76 N -4.38 -0.51 -0.47 1.43 1.04 -1.26 -4.28 113.70 105.28 2d8y s SER 76 Ca 0.57 0.47 -0.20 0.00 0.48 0.00 0.00 55.95 57.27 2d8y s SER 76 Cb -0.11 0.47 0.04 0.00 0.10 0.00 0.00 66.02 66.52 2d8y s SER 76 CO 0.47 -0.59 0.63 -0.75 0.98 0.00 0.00 173.24 173.98 2d8y s LYS 77 N -1.43 3.20 3.01 4.02 2.36 -1.26 -4.86 119.74 124.79 2d8y s LYS 77 Ca -0.11 -0.59 0.00 0.00 -2.55 0.00 0.00 55.97 52.72 2d8y s LYS 77 Cb -0.01 -4.01 0.00 0.00 -1.05 0.00 0.00 37.83 32.76 2d8y s LYS 77 CO 0.07 -1.09 0.00 0.41 1.55 0.00 0.00 175.35 176.29 2d8y n GLY 78 N 5.10 0.60 3.65 5.54 0.00 -1.26 -4.80 105.19 114.02 2d8y n GLY 78 Ca -0.04 0.54 -0.24 0.00 0.00 0.00 0.00 46.02 46.29 2d8y n GLY 78 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2d8y n ASN 79 N 5.71 -0.01 -4.61 1.61 3.02 -1.26 -4.84 115.26 114.88 2d8y n ASN 79 Ca 0.00 -0.85 -0.28 0.00 -0.03 0.00 0.00 54.58 53.42 2d8y n ASN 79 Cb 0.00 -1.06 0.20 0.00 -0.61 0.00 0.00 39.78 38.31 2d8y n ASN 79 CO 0.00 0.00 0.00 -0.72 -2.62 0.00 0.00 177.26 173.92 2d8y s TYR 80 N -3.43 1.86 -0.47 3.10 1.13 -1.26 -4.85 117.35 113.43 2d8y s TYR 80 Ca 0.20 1.00 -0.26 0.00 -1.41 0.00 0.00 57.07 56.60 2d8y s TYR 80 Cb -0.11 -3.22 -0.06 0.00 -1.10 0.00 0.00 41.96 37.46 2d8y s TYR 80 CO 0.68 -3.25 2.32 -0.51 -2.51 0.00 0.00 175.55 172.28 2d8y s ASP 81 N -3.20 4.65 -0.04 -0.18 1.11 -1.26 -4.81 116.67 112.94 2d8y s ASP 81 Ca 0.66 1.08 -0.01 0.00 0.18 0.00 0.00 52.55 54.46 2d8y s ASP 81 Cb -0.20 -2.51 -0.03 0.00 1.07 0.00 0.00 42.92 41.25 2d8y s ASP 81 CO 0.60 -2.72 2.31 -1.84 1.18 0.00 0.00 175.17 174.70 2d8y n GLU 82 N 9.00 1.28 -2.72 8.23 0.00 -1.26 -4.29 120.64 130.87 2d8y n GLU 82 Ca 0.34 -0.36 -0.05 0.00 0.00 0.00 0.00 57.16 57.09 2d8y n GLU 82 Cb 0.53 -1.25 0.03 0.00 0.00 0.00 0.00 31.44 30.75 2d8y n GLU 82 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2d8y n GLY 83 N 1.57 -0.91 3.67 -1.84 0.00 -1.26 -5.13 105.19 101.29 2d8y n GLY 83 Ca 0.11 0.69 -0.46 0.00 0.00 0.00 0.00 46.02 46.37 2d8y n GLY 83 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2d8y n PHE 84 N 2.45 2.31 -1.60 1.61 3.72 -1.26 -4.99 117.46 119.70 2d8y n PHE 84 Ca 0.13 0.26 0.00 0.00 -0.05 0.00 0.00 57.45 57.79 2d8y n PHE 84 Cb 0.61 -2.55 0.00 0.00 -0.94 0.00 0.00 39.48 36.61 2d8y n PHE 84 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2d8y n GLY 85 N 3.35 0.56 3.07 1.37 0.00 -1.26 -5.05 105.19 107.23 2d8y n GLY 85 Ca 0.16 -1.88 -0.35 0.00 0.00 0.00 0.00 46.02 43.95 2d8y n GLY 85 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2d8y s SER 86 N -1.00 5.53 0.00 1.61 1.04 -1.26 -5.00 113.70 114.62 2d8y s SER 86 Ca 0.00 -3.46 0.00 0.00 0.48 0.00 0.00 55.95 52.97 2d8y s SER 86 Cb 0.00 -1.84 0.00 0.00 0.10 0.00 0.00 66.02 64.28 2d8y s SER 86 CO 0.00 -0.23 0.00 0.61 0.98 0.00 0.00 173.24 174.60 2d8y n GLY 87 N 2.65 -1.93 3.77 7.32 0.00 -1.26 -4.81 105.19 110.93 2d8y n GLY 87 Ca 0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 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 0.00 4.08 0.30 1.61 0.04 -1.26 -5.03 135.00 134.74 2d8y s PRO 88 Ca 0.00 1.90 -0.11 0.00 0.04 0.00 0.00 61.00 62.84 2d8y s PRO 88 Cb 0.00 -2.73 -0.07 0.00 0.04 0.00 0.00 34.50 31.74 2d8y s PRO 88 CO 0.00 -0.32 0.64 -1.54 0.04 0.00 0.00 177.00 175.83 2d8y s SER 89 N -1.03 6.62 0.01 6.66 1.04 -1.26 -5.06 113.70 120.67 2d8y s SER 89 Ca 0.56 1.04 -0.22 0.00 0.48 0.00 0.00 55.95 57.80 2d8y s SER 89 Cb -0.32 -2.28 -0.05 0.00 0.10 0.00 0.00 66.02 63.47 2d8y s SER 89 CO 0.41 -0.19 0.67 -0.55 0.98 0.00 0.00 173.24 174.56 2d8y s SER 90 N -2.59 7.06 0.00 7.02 0.15 -1.26 -5.29 113.70 118.79 2d8y s SER 90 Ca 0.50 1.27 0.00 0.00 0.70 0.00 0.00 55.95 58.41 2d8y s SER 90 Cb -0.11 -2.41 0.00 0.00 -1.71 0.00 0.00 66.02 61.80 2d8y s SER 90 CO 0.23 0.05 0.37 0.61 1.20 0.00 0.00 173.24 175.70