#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 6.27 -0.03 1.61 0.01 -1.26 -5.04 113.70 115.25 2d8y s SER 2 Ca 0.00 -1.88 0.05 0.00 1.31 0.00 0.00 55.95 55.43 2d8y s SER 2 Cb 0.00 -2.22 -0.03 0.00 0.21 0.00 0.00 66.02 63.99 2d8y s SER 2 CO 0.00 -0.84 -0.17 -0.94 0.41 0.00 0.00 173.24 171.70 2d8y s SER 3 N 3.41 3.81 -0.30 2.44 1.04 -1.26 -5.11 113.70 117.73 2d8y s SER 3 Ca 0.06 -0.28 -0.17 0.00 0.48 0.00 0.00 55.95 56.04 2d8y s SER 3 Cb -0.27 -0.72 0.20 0.00 0.10 0.00 0.00 66.02 65.33 2d8y s SER 3 CO 0.02 0.33 1.25 -0.83 0.98 0.00 0.00 173.24 174.98 2d8y s GLY 4 N -0.79 0.51 0.12 7.32 0.00 -1.26 -5.17 107.32 108.06 2d8y s GLY 4 Ca 0.12 3.70 -0.04 0.00 0.00 0.00 0.00 44.72 48.50 2d8y s GLY 4 CO 0.01 2.62 0.34 -0.45 0.00 0.00 0.00 173.10 175.62 2d8y s SER 5 N 0.92 6.46 -0.17 1.64 0.15 -1.26 -5.10 113.70 116.34 2d8y s SER 5 Ca -0.06 0.52 -0.20 0.00 0.70 0.00 0.00 55.95 56.91 2d8y s SER 5 Cb -0.03 -2.06 0.05 0.00 -1.71 0.00 0.00 66.02 62.27 2d8y s SER 5 CO -0.11 0.08 0.53 -0.94 1.20 0.00 0.00 173.24 174.01 2d8y s SER 6 N -2.43 -0.54 0.00 5.45 1.04 -1.26 -5.16 113.70 110.80 2d8y s SER 6 Ca 0.39 0.95 0.00 0.00 0.48 0.00 0.00 55.95 57.78 2d8y s SER 6 Cb -0.12 0.97 0.00 0.00 0.10 0.00 0.00 66.02 66.96 2d8y s SER 6 CO 0.25 -0.26 0.00 0.61 0.98 0.00 0.00 173.24 174.82 2d8y n GLY 7 N 2.43 3.74 2.84 7.32 0.00 -1.26 -5.09 105.19 115.17 2d8y n GLY 7 Ca -0.15 -0.18 -0.28 0.00 0.00 0.00 0.00 46.02 45.41 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 -0.94 2.27 -0.58 1.61 1.00 -1.26 -5.06 119.30 116.34 2d8y s MET 8 Ca 0.00 -3.19 -0.23 0.00 0.00 0.00 0.00 55.69 52.27 2d8y s MET 8 Cb 0.00 -3.19 0.05 0.00 0.00 0.00 0.00 34.83 31.70 2d8y s MET 8 CO 0.00 -1.29 0.91 0.15 0.00 0.00 0.00 175.02 174.79 2d8y s LYS 9 N -1.25 3.23 0.27 2.03 1.02 -1.26 -5.03 119.74 118.74 2d8y s LYS 9 Ca 0.26 -0.54 -0.02 0.00 0.02 0.00 0.00 55.97 55.68 2d8y s LYS 9 Cb -0.04 -4.12 -0.04 0.00 -0.52 0.00 0.00 37.83 33.11 2d8y s LYS 9 CO -0.17 -1.57 0.48 -0.59 -0.92 0.00 0.00 175.35 172.59 2d8y s PHE 10 N 3.82 3.48 -0.77 3.18 -0.71 -1.26 -4.95 117.98 120.78 2d8y s PHE 10 Ca 0.25 0.44 -0.26 0.00 -1.04 0.00 0.00 56.93 56.32 2d8y s PHE 10 Cb -0.15 -1.94 -0.26 0.00 -1.21 0.00 0.00 43.02 39.46 2d8y s PHE 10 CO 0.15 0.25 1.92 0.00 -1.34 0.00 0.00 175.22 176.20 2d8y n GLN 11 N -1.06 0.06 -0.26 1.99 -0.00 -1.26 -4.74 117.38 112.12 2d8y n GLN 11 Ca -0.04 -1.44 -0.11 0.00 -0.00 0.00 0.00 57.00 55.41 2d8y n GLN 11 Cb 0.54 -3.44 -0.08 0.00 -0.00 0.00 0.00 30.24 27.27 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 11.11 -0.55 -3.00 2.61 0.00 -1.92 -3.42 119.26 124.09 2d8y h ALA 12 Ca 0.06 0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2d8y h ALA 12 Cb 0.92 1.16 0.00 0.00 0.00 0.00 0.00 17.79 19.87 2d8y h ALA 12 CO 1.24 -0.95 0.00 -0.35 0.00 0.00 0.00 179.25 179.20 2d8y n PRO 13 N -5.35 0.28 -2.44 0.00 -0.04 -1.26 -4.90 135.00 121.29 2d8y n PRO 13 Ca 0.00 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.04 2d8y n PRO 13 Cb 0.32 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 33.79 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 -3.00 5.42 -2.71 0.55 0.00 -1.26 -4.92 120.51 114.59 2d8y n ALA 14 Ca 0.00 -4.40 -0.09 0.00 0.00 0.00 0.00 53.44 48.95 2d8y n ALA 14 Cb 0.00 -2.85 -0.07 0.00 0.00 0.00 0.00 19.45 16.53 2d8y n ALA 14 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 2d8y s ARG 15 N -0.33 1.08 0.55 0.00 1.70 -1.26 -5.18 118.95 115.52 2d8y s ARG 15 Ca 0.39 -1.09 0.07 0.00 -0.47 0.00 0.00 55.73 54.63 2d8y s ARG 15 Cb 0.09 0.38 0.07 0.00 -0.57 0.00 0.00 34.95 34.92 2d8y s ARG 15 CO 0.02 -0.39 0.76 -1.21 -1.08 0.00 0.00 175.30 173.40 2d8y s GLU 16 N -3.93 2.37 -0.02 3.89 0.41 -1.26 -4.68 118.70 115.48 2d8y s GLU 16 Ca 0.13 -1.39 -0.29 0.00 -0.41 0.00 0.00 54.97 53.01 2d8y s GLU 16 Cb 0.03 -2.62 0.08 0.00 -1.78 0.00 0.00 34.13 29.85 2d8y s GLU 16 CO -0.03 -0.78 0.75 0.99 -0.49 0.00 0.00 175.26 175.69 2d8y s THR 17 N -2.66 0.00 -0.12 3.63 2.01 -1.26 -3.81 115.64 113.43 2d8y s THR 17 Ca 0.60 0.00 -0.30 0.00 0.31 0.00 0.00 61.69 62.31 2d8y s THR 17 Cb -0.07 -1.00 -0.01 0.00 0.01 0.00 0.00 72.50 71.43 2d8y s THR 17 CO 0.38 0.00 1.06 0.00 -0.69 0.00 0.00 174.62 175.37 2d8y n VAL 19 N 4.72 0.00 0.01 0.00 0.24 -1.10 -0.43 118.33 121.76 2d8y n VAL 19 Ca 0.10 0.00 -0.03 0.00 -2.04 0.00 0.00 64.34 62.37 2d8y n VAL 19 Cb 0.48 -0.19 -0.01 0.00 -1.47 0.00 0.00 33.84 32.65 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 -0.31 0.14 -0.00 7.34 1.02 -1.26 -4.81 120.64 122.76 2d8y n GLU 20 Ca 0.00 0.06 0.10 0.00 -0.02 0.00 0.00 57.16 57.29 2d8y n GLU 20 Cb 0.09 -0.74 -0.13 0.00 -0.02 0.00 0.00 31.44 30.64 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 -1.69 -3.98 -4.80 0.00 1.13 0.43 -5.01 117.38 103.45 2d8y n GLN 22 Ca 0.02 0.52 -0.26 0.00 -1.94 0.00 0.00 57.00 55.33 2d8y n GLN 22 Cb 0.38 -4.54 -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 -4.81 1.90 -0.67 -1.09 3.01 -1.25 -4.81 119.74 112.03 2d8y s LYS 23 Ca 0.01 -0.58 -0.34 0.00 -1.01 0.00 0.00 55.97 54.04 2d8y s LYS 23 Cb -0.00 -1.59 -0.17 0.00 -1.01 0.00 0.00 37.83 35.06 2d8y s LYS 23 CO 0.44 0.17 2.42 2.41 0.51 0.00 0.00 175.35 181.30 2d8y n THR 24 N 3.39 0.03 -2.36 2.17 -1.04 -1.26 -1.66 114.28 113.55 2d8y n THR 24 Ca -0.20 -0.16 -0.42 0.00 -2.04 0.00 0.00 64.05 61.23 2d8y n THR 24 Cb 0.53 -1.06 -0.03 0.00 -1.82 0.00 0.00 70.33 67.95 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 8.35 3.86 0.57 12.58 1.01 -1.25 -4.91 120.40 140.62 2d8y s VAL 25 Ca 1.21 1.33 -0.07 0.00 0.00 0.00 0.00 61.98 64.46 2d8y s VAL 25 Cb -1.09 -3.85 -0.01 0.00 0.00 0.00 0.00 36.38 31.42 2d8y s VAL 25 CO 0.50 0.10 0.90 -0.31 0.00 0.00 0.00 175.10 176.29 2d8y s TYR 26 N 1.13 3.43 -2.00 5.22 1.51 -1.26 -4.73 117.35 120.65 2d8y s TYR 26 Ca 0.60 0.85 0.08 0.00 -1.01 0.00 0.00 57.07 57.59 2d8y s TYR 26 Cb -0.31 -2.61 0.49 0.00 -0.11 0.00 0.00 41.96 39.42 2d8y s TYR 26 CO 0.29 -0.64 0.94 -0.35 -1.11 0.00 0.00 175.55 174.68 2d8y n PRO 27 N -2.53 0.49 -0.07 -1.71 -0.04 -1.26 -1.59 135.00 128.28 2d8y n PRO 27 Ca 0.04 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.41 2d8y n PRO 27 Cb 0.56 -1.26 -0.09 0.00 -0.04 0.00 0.00 33.50 32.66 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 -0.76 1.38 -0.52 0.54 2.81 -1.26 -4.57 117.12 114.74 2d8y n MET 28 Ca 0.06 0.03 0.04 0.00 -1.81 0.00 0.00 57.70 56.03 2d8y n MET 28 Cb 0.03 -1.33 0.22 0.00 -0.71 0.00 0.00 33.22 31.43 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 -2.65 2.31 -2.81 0.03 0.28 -1.01 -4.96 120.64 111.83 2d8y n GLU 29 Ca -0.24 -2.93 -0.43 0.00 -0.16 0.00 0.00 57.16 53.41 2d8y n GLU 29 Cb 0.88 -1.79 -0.04 0.00 1.43 0.00 0.00 31.44 31.93 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 3.31 -0.33 3.44 3.52 -0.62 -3.70 118.95 121.59 2d8y s ARG 30 Ca 0.42 -0.29 -0.03 0.00 -0.13 0.00 0.00 55.73 55.69 2d8y s ARG 30 Cb 0.36 -4.07 0.06 0.00 -1.56 0.00 0.00 34.95 29.73 2d8y s ARG 30 CO 0.05 -1.56 0.06 -1.17 -0.81 0.00 0.00 175.30 171.87 2d8y s LEU 31 N 4.10 4.24 0.06 -0.88 0.20 0.21 -4.96 118.68 121.65 2d8y s LEU 31 Ca 0.31 -1.35 -0.31 0.00 0.69 0.00 0.00 54.13 53.47 2d8y s LEU 31 Cb -0.12 -1.78 -0.07 0.00 -0.43 0.00 0.00 46.19 43.78 2d8y s LEU 31 CO 0.18 -0.33 1.48 -0.22 -0.29 0.00 0.00 176.35 177.18 2d8y s LEU 32 N 1.28 4.35 -0.18 -0.68 1.98 -1.26 -0.73 118.68 123.44 2d8y s LEU 32 Ca -0.02 2.31 -0.04 0.00 -2.89 0.00 0.00 54.13 53.49 2d8y s LEU 32 Cb -0.20 -3.57 0.09 0.00 0.66 0.00 0.00 46.19 43.17 2d8y s LEU 32 CO -0.00 -0.75 0.27 0.00 -1.89 0.00 0.00 176.35 173.97 2d8y s ALA 33 N 2.01 -0.55 -1.18 5.97 0.00 0.29 -4.89 121.76 123.41 2d8y s ALA 33 Ca 0.67 0.68 -0.07 0.00 0.00 0.00 0.00 51.96 53.24 2d8y s ALA 33 Cb -0.36 -1.25 0.01 0.00 0.00 0.00 0.00 23.12 21.52 2d8y s ALA 33 CO 0.29 -0.96 1.03 0.09 0.00 0.00 0.00 175.76 176.21 2d8y n ASN 34 N 5.34 -5.43 -3.20 0.00 3.02 -1.26 -2.29 115.26 111.44 2d8y n ASN 34 Ca -0.05 -0.48 -0.22 0.00 -0.03 0.00 0.00 54.58 53.79 2d8y n ASN 34 Cb 0.50 -4.49 0.06 0.00 -0.61 0.00 0.00 39.78 35.23 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 -4.38 -6.46 -3.75 3.52 6.02 -1.26 -4.99 117.38 106.08 2d8y n GLN 35 Ca -0.02 0.81 -0.13 0.00 -0.01 0.00 0.00 57.00 57.65 2d8y n GLN 35 Cb 0.56 -5.66 -0.08 0.00 1.02 0.00 0.00 30.24 26.08 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 -6.01 0.72 -0.21 -1.09 -0.21 -0.97 -5.13 119.66 106.76 2d8y s GLN 36 Ca 0.45 -0.25 -0.29 0.00 0.02 0.00 0.00 55.36 55.30 2d8y s GLN 36 Cb -0.20 0.32 0.00 0.00 1.00 0.00 0.00 33.01 34.13 2d8y s GLN 36 CO 0.56 -0.21 1.10 0.08 -2.12 0.00 0.00 175.29 174.70 2d8y s VAL 37 N -1.62 4.58 0.10 1.09 1.01 -1.26 -0.55 120.40 123.75 2d8y s VAL 37 Ca -0.11 1.90 0.07 0.00 0.00 0.00 0.00 61.98 63.84 2d8y s VAL 37 Cb -0.04 -4.23 -0.03 0.00 0.00 0.00 0.00 36.38 32.08 2d8y s VAL 37 CO 0.03 -0.16 -0.17 -0.36 0.00 0.00 0.00 175.10 174.44 2d8y s PHE 38 N 3.21 1.55 -0.19 5.22 0.08 0.09 -2.71 117.98 125.22 2d8y s PHE 38 Ca 0.47 -0.46 -0.22 0.00 0.12 0.00 0.00 56.93 56.84 2d8y s PHE 38 Cb -0.17 -0.84 -0.02 0.00 -0.57 0.00 0.00 43.02 41.42 2d8y s PHE 38 CO 0.09 0.16 0.67 -1.01 -0.10 0.00 0.00 175.22 175.03 2d8y s HIS 39 N -1.48 3.38 0.56 0.36 3.76 -1.26 -0.62 115.29 119.98 2d8y s HIS 39 Ca 0.05 0.98 0.28 0.00 -0.15 0.00 0.00 55.06 56.23 2d8y s HIS 39 Cb -0.09 -2.84 0.97 0.00 1.11 0.00 0.00 32.58 31.73 2d8y s HIS 39 CO 0.04 -0.19 1.24 -0.89 -0.85 0.00 0.00 174.74 174.09 2d8y n ILE 40 N 4.72 0.00 -0.10 0.60 -0.00 -1.24 -0.12 119.36 123.22 2d8y n ILE 40 Ca -0.00 1.20 -0.15 0.00 -0.00 0.00 0.00 62.75 63.79 2d8y n ILE 40 Cb 0.49 -2.13 -0.07 0.00 -0.00 0.00 0.00 39.64 37.94 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 -3.21 1.87 -0.35 4.38 2.88 -1.26 -4.36 113.62 113.58 2d8y n SER 41 Ca 0.25 0.47 0.14 0.00 -1.33 0.00 0.00 58.87 58.40 2d8y n SER 41 Cb 1.50 -0.88 0.34 0.00 -0.75 0.00 0.00 64.21 64.42 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 -4.78 0.46 -3.86 0.00 7.35 0.52 -4.79 117.46 112.36 2d8y n PHE 43 Ca 0.24 -0.02 -0.09 0.00 -0.76 0.00 0.00 57.45 56.82 2d8y n PHE 43 Cb 0.62 -1.37 -0.07 0.00 0.35 0.00 0.00 39.48 39.01 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 7.58 0.96 0.32 -4.13 0.52 -1.26 -2.58 118.95 120.35 2d8y s ARG 44 Ca 1.03 -0.99 -0.29 0.00 -0.52 0.00 0.00 55.73 54.96 2d8y s ARG 44 Cb -0.47 0.37 -0.10 0.00 0.52 0.00 0.00 34.95 35.26 2d8y s ARG 44 CO 0.32 -0.33 1.34 0.00 0.02 0.00 0.00 175.30 176.66 2d8y n SER 46 N 1.04 2.81 0.08 0.00 2.88 0.69 -1.66 113.62 119.46 2d8y n SER 46 Ca 0.01 -2.28 0.00 0.00 -1.33 0.00 0.00 58.87 55.27 2d8y n SER 46 Cb 0.41 -0.56 0.00 0.00 -0.75 0.00 0.00 64.21 63.31 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 0.16 -1.09 -0.05 0.66 4.19 -1.26 -4.91 117.16 114.86 2d8y n TYR 47 Ca 0.10 0.19 -0.02 0.00 3.31 0.00 0.00 57.90 61.48 2d8y n TYR 47 Cb 0.65 0.34 -0.15 0.00 0.49 0.00 0.00 39.34 40.66 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 -3.10 -4.89 0.00 5.15 -0.66 -5.00 115.26 104.14 2d8y n ASN 49 Ca -0.21 -0.14 -0.35 0.00 -0.60 0.00 0.00 54.58 53.28 2d8y n ASN 49 Cb 0.93 -1.68 -0.05 0.00 -0.53 0.00 0.00 39.78 38.45 2d8y n ASN 49 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 2d8y s ASN 50 N -3.09 6.46 0.29 1.20 2.20 -1.26 -4.79 114.94 115.93 2d8y s ASN 50 Ca 0.15 0.51 -0.30 0.00 -0.94 0.00 0.00 52.86 52.28 2d8y s ASN 50 Cb -0.06 -2.07 -0.11 0.00 -2.00 0.00 0.00 41.25 37.00 2d8y s ASN 50 CO 0.19 0.30 1.58 -0.54 -2.94 0.00 0.00 177.10 175.68 2d8y s LYS 51 N -1.59 4.14 0.40 3.55 -0.14 -1.26 -2.92 119.74 121.92 2d8y s LYS 51 Ca 0.24 2.54 0.03 0.00 -1.36 0.00 0.00 55.97 57.43 2d8y s LYS 51 Cb -0.13 -3.04 -0.04 0.00 -1.68 0.00 0.00 37.83 32.95 2d8y s LYS 51 CO 0.14 -0.61 0.08 -0.51 -0.76 0.00 0.00 175.35 173.68 2d8y s LEU 52 N -0.45 2.16 0.07 3.17 1.43 -1.07 -4.97 118.68 119.02 2d8y s LEU 52 Ca 0.63 -1.56 -0.08 0.00 -1.03 0.00 0.00 54.13 52.09 2d8y s LEU 52 Cb -0.47 -0.36 -0.01 0.00 0.03 0.00 0.00 46.19 45.39 2d8y s LEU 52 CO 0.47 -0.79 0.15 -0.44 0.23 0.00 0.00 176.35 175.98 2d8y s SER 53 N -3.63 0.16 -0.77 2.29 0.01 -1.26 -4.92 113.70 105.58 2d8y s SER 53 Ca 0.25 -0.64 -0.28 0.00 1.31 0.00 0.00 55.95 56.59 2d8y s SER 53 Cb 0.05 0.30 -0.16 0.00 0.21 0.00 0.00 66.02 66.43 2d8y s SER 53 CO 0.13 -0.66 2.56 0.18 0.41 0.00 0.00 173.24 175.85 2d8y n LEU 54 N 0.16 1.17 0.00 2.44 4.77 -1.26 -0.69 117.00 123.58 2d8y n LEU 54 Ca -0.16 -0.18 0.00 0.00 -0.03 0.00 0.00 56.01 55.64 2d8y n LEU 54 Cb 0.61 -1.22 0.00 0.00 -2.33 0.00 0.00 43.42 40.48 2d8y n LEU 54 CO 0.23 -1.16 0.00 0.61 -1.33 0.00 0.00 177.39 175.74 2d8y n GLY 55 N 6.27 2.71 0.10 -0.72 0.00 -1.26 -4.94 105.19 107.35 2d8y n GLY 55 Ca 0.53 -0.37 -0.11 0.00 0.00 0.00 0.00 46.02 46.08 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 1.48 -0.67 2.61 -2.24 0.13 -4.97 114.28 110.61 2d8y n THR 56 Ca 0.00 -0.81 -0.29 0.00 -2.27 0.00 0.00 64.05 60.68 2d8y n THR 56 Cb 0.00 -0.76 0.21 0.00 -2.10 0.00 0.00 70.33 67.67 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 -2.53 1.55 -0.30 4.78 -0.85 -1.17 -3.42 117.35 115.42 2d8y s TYR 57 Ca -0.11 1.42 -0.04 0.00 -0.52 0.00 0.00 57.07 57.81 2d8y s TYR 57 Cb 0.07 -3.19 0.18 0.00 0.38 0.00 0.00 41.96 39.39 2d8y s TYR 57 CO 0.80 -3.33 0.68 0.00 -1.52 0.00 0.00 175.55 172.19 2d8y s ALA 58 N -2.58 -2.41 0.37 9.51 0.00 0.42 -4.85 121.76 122.22 2d8y s ALA 58 Ca 0.67 1.87 0.03 0.00 0.00 0.00 0.00 51.96 54.53 2d8y s ALA 58 Cb -0.23 -2.15 -0.01 0.00 0.00 0.00 0.00 23.12 20.72 2d8y s ALA 58 CO 0.61 -1.27 0.55 0.45 0.00 0.00 0.00 175.76 176.10 2d8y s SER 59 N 2.86 6.01 0.00 0.00 0.15 -1.26 -0.09 113.70 121.37 2d8y s SER 59 Ca 0.13 0.14 0.00 0.00 0.70 0.00 0.00 55.95 56.93 2d8y s SER 59 Cb -0.14 -1.56 0.00 0.00 -1.71 0.00 0.00 66.02 62.61 2d8y s SER 59 CO -0.19 -0.47 0.00 -0.11 1.20 0.00 0.00 173.24 173.66 2d8y n LEU 60 N -1.82 0.00 -0.04 3.45 7.94 -1.23 -4.97 117.00 120.34 2d8y n LEU 60 Ca -0.01 0.00 -0.05 0.00 -1.11 0.00 0.00 56.01 54.83 2d8y n LEU 60 Cb 0.57 0.00 -0.03 0.00 0.53 0.00 0.00 43.42 44.49 2d8y n LEU 60 CO 0.46 -0.27 -0.74 1.41 -1.11 0.00 0.00 177.39 177.13 2d8y n HIS 61 N -1.81 0.00 -1.75 1.96 8.25 -1.26 -4.95 115.22 115.66 2d8y n HIS 61 Ca 0.00 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.44 2d8y n HIS 61 Cb 0.00 -0.29 -0.02 0.00 1.12 0.00 0.00 29.99 30.81 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 3.13 -0.15 3.32 -1.41 0.00 -1.26 -5.14 105.19 103.68 2d8y n GLY 62 Ca -0.13 -0.01 -0.11 0.00 0.00 0.00 0.00 46.02 45.77 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 0.45 0.52 1.61 0.52 -1.26 -5.13 118.95 115.66 2d8y s ARG 63 Ca 0.00 0.79 -0.19 0.00 -0.52 0.00 0.00 55.73 55.81 2d8y s ARG 63 Cb 0.01 0.05 -0.07 0.00 0.52 0.00 0.00 34.95 35.47 2d8y s ARG 63 CO -0.00 -0.14 1.06 0.42 0.02 0.00 0.00 175.30 176.66 2d8y s ILE 64 N 1.17 3.64 0.01 1.52 -1.09 -1.26 -3.49 121.20 121.70 2d8y s ILE 64 Ca -0.08 0.97 -0.12 0.00 -2.23 0.00 0.00 60.65 59.19 2d8y s ILE 64 Cb -0.07 -3.39 0.01 0.00 -1.58 0.00 0.00 42.46 37.43 2d8y s ILE 64 CO -0.10 -0.28 0.25 -0.31 -1.23 0.00 0.00 174.94 173.27 2d8y s TYR 65 N -2.04 -0.08 0.26 3.97 2.02 0.87 -0.22 117.35 122.13 2d8y s TYR 65 Ca 0.68 0.05 -0.17 0.00 -0.37 0.00 0.00 57.07 57.26 2d8y s TYR 65 Cb -0.18 0.04 -0.08 0.00 -0.40 0.00 0.00 41.96 41.34 2d8y s TYR 65 CO 0.25 -0.38 0.71 0.00 -1.57 0.00 0.00 175.55 174.56 2d8y h LYS 67 N 2.90 0.02 -0.16 0.00 1.79 -1.88 0.47 116.57 119.71 2d8y h LYS 67 Ca -0.48 -0.00 0.03 0.00 -2.18 0.00 0.00 60.65 58.02 2d8y h LYS 67 Cb 1.18 -0.00 -0.06 0.00 -1.58 0.00 0.00 32.23 31.77 2d8y h LYS 67 CO 0.65 0.01 -0.46 -1.35 -1.08 0.00 0.00 179.45 177.23 2d8y h PRO 68 N 0.02 -0.44 -0.07 3.15 0.11 -1.93 0.64 132.00 133.48 2d8y h PRO 68 Ca 0.49 0.03 -0.02 0.00 0.11 0.00 0.00 66.00 66.61 2d8y h PRO 68 Cb 0.87 0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.08 2d8y h PRO 68 CO -0.90 -0.29 -0.03 0.45 -0.21 0.00 0.00 178.00 177.01 2d8y h HIS 69 N -0.46 0.16 -0.59 0.65 3.86 -1.63 -3.23 115.15 113.90 2d8y h HIS 69 Ca 0.03 -0.04 0.07 0.00 -1.16 0.00 0.00 60.37 59.28 2d8y h HIS 69 Cb 0.56 -0.04 -0.10 0.00 1.06 0.00 0.00 27.41 28.89 2d8y h HIS 69 CO -0.60 0.51 -0.53 0.35 0.86 0.00 0.00 177.93 178.52 2d8y h PHE 70 N -0.24 -1.64 -0.06 2.45 3.04 0.09 1.27 116.94 121.85 2d8y h PHE 70 Ca 0.01 0.09 0.02 0.00 3.98 0.00 0.00 57.97 62.08 2d8y h PHE 70 Cb 0.47 0.79 -0.00 0.00 2.56 0.00 0.00 35.95 39.77 2d8y h PHE 70 CO 0.07 -0.45 0.42 -0.91 -2.02 0.00 0.00 178.31 175.42 2d8y h ASN 71 N -0.26 0.00 0.00 0.41 2.35 -0.93 0.61 115.58 117.76 2d8y h ASN 71 Ca 0.12 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.87 2d8y h ASN 71 Cb 0.55 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.92 2d8y h ASN 71 CO -0.70 0.00 -0.09 1.67 -1.65 0.00 0.00 177.43 176.65 2d8y n GLN 72 N -2.95 0.07 -0.09 0.81 -0.06 0.38 -2.24 117.38 113.30 2d8y n GLN 72 Ca -0.00 0.20 0.24 0.00 -2.00 0.00 0.00 57.00 55.44 2d8y n GLN 72 Cb 0.48 -0.79 0.71 0.00 -4.06 0.00 0.00 30.24 26.57 2d8y n GLN 72 CO 0.00 0.00 0.00 -0.07 -0.20 0.00 0.00 177.06 176.79 2d8y h LEU 73 N -0.14 0.00 0.00 1.69 3.38 0.23 -3.21 115.31 117.27 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 0.09 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.84 2d8y h LEU 73 CO 0.00 0.00 -0.07 0.49 0.09 0.00 0.00 178.44 178.95 2d8y n PHE 74 N -4.32 0.07 -2.86 1.13 3.01 0.21 -4.98 117.46 109.72 2d8y n PHE 74 Ca 0.14 0.03 -0.32 0.00 1.01 0.00 0.00 57.45 58.31 2d8y n PHE 74 Cb 0.78 -0.23 -0.05 0.00 -0.01 0.00 0.00 39.48 39.98 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 -1.15 3.97 -0.22 -1.08 2.36 -0.95 -5.03 119.74 117.63 2d8y s LYS 75 Ca -0.02 0.75 -0.11 0.00 -2.55 0.00 0.00 55.97 54.04 2d8y s LYS 75 Cb 0.00 -2.32 0.08 0.00 -1.05 0.00 0.00 37.83 34.55 2d8y s LYS 75 CO 0.03 -0.01 0.52 -1.54 1.55 0.00 0.00 175.35 175.90 2d8y s SER 76 N -2.66 -0.66 -0.04 1.43 1.04 -1.26 -3.77 113.70 107.79 2d8y s SER 76 Ca 0.56 1.18 -0.04 0.00 0.48 0.00 0.00 55.95 58.12 2d8y s SER 76 Cb -0.10 1.30 -0.03 0.00 0.10 0.00 0.00 66.02 67.29 2d8y s SER 76 CO 0.23 -0.22 -0.10 1.17 0.98 0.00 0.00 173.24 175.30 2d8y n LYS 77 N 4.73 0.16 0.00 4.02 0.00 -1.26 -5.01 118.16 120.80 2d8y n LYS 77 Ca -0.17 0.07 0.00 0.00 0.00 0.00 0.00 58.31 58.21 2d8y n LYS 77 Cb 0.54 -0.78 0.00 0.00 0.00 0.00 0.00 35.03 34.79 2d8y n LYS 77 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2d8y n GLY 78 N 2.66 0.08 3.75 3.14 0.00 -1.26 -5.00 105.19 108.55 2d8y n GLY 78 Ca -0.11 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.55 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 -1.00 5.05 0.07 1.61 2.47 -1.26 -5.04 114.94 116.83 2d8y s ASN 79 Ca 0.00 2.43 0.05 0.00 0.42 0.00 0.00 52.86 55.76 2d8y s ASN 79 Cb 0.00 -2.60 -0.03 0.00 -1.45 0.00 0.00 41.25 37.17 2d8y s ASN 79 CO 0.00 -1.69 -0.15 -0.31 -3.72 0.00 0.00 177.10 171.23 2d8y s TYR 80 N -1.58 1.30 0.25 0.43 2.02 -1.26 -4.88 117.35 113.63 2d8y s TYR 80 Ca 0.78 -0.43 0.07 0.00 -0.37 0.00 0.00 57.07 57.12 2d8y s TYR 80 Cb -0.31 -0.74 -0.03 0.00 -0.40 0.00 0.00 41.96 40.47 2d8y s TYR 80 CO 0.35 0.07 0.22 0.16 -1.57 0.00 0.00 175.55 174.78 2d8y s ASP 81 N -1.60 5.60 -0.21 2.29 -4.77 -1.26 -5.00 116.67 111.72 2d8y s ASP 81 Ca 0.00 -0.23 -0.01 0.00 -3.30 0.00 0.00 52.55 49.01 2d8y s ASP 81 Cb -0.09 -1.44 0.10 0.00 -1.09 0.00 0.00 42.92 40.40 2d8y s ASP 81 CO 0.02 -0.06 2.19 -0.62 0.70 0.00 0.00 175.17 177.40 2d8y n GLU 82 N -1.21 1.61 -2.56 2.11 4.71 -1.26 -4.39 120.64 119.65 2d8y n GLU 82 Ca -0.08 -1.10 -0.24 0.00 -0.01 0.00 0.00 57.16 55.74 2d8y n GLU 82 Cb 0.58 -1.49 0.00 0.00 -1.01 0.00 0.00 31.44 29.52 2d8y n GLU 82 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2d8y n GLY 83 N 0.90 5.22 3.63 0.62 0.00 -1.26 -5.05 105.19 109.25 2d8y n GLY 83 Ca 0.23 -2.52 -0.41 0.00 0.00 0.00 0.00 46.02 43.33 2d8y n GLY 83 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2d8y s PHE 84 N -3.45 3.29 0.04 1.61 5.36 -1.26 -5.03 117.98 118.54 2d8y s PHE 84 Ca 0.45 0.84 -0.25 0.00 -0.96 0.00 0.00 56.93 57.01 2d8y s PHE 84 Cb 0.40 -2.85 0.06 0.00 -0.34 0.00 0.00 43.02 40.28 2d8y s PHE 84 CO -0.15 -0.33 0.58 0.20 -1.46 0.00 0.00 175.22 174.07 2d8y s GLY 85 N 1.46 -0.51 0.12 13.12 0.00 -1.26 -5.18 107.32 115.07 2d8y s GLY 85 Ca 0.27 0.78 -0.24 0.00 0.00 0.00 0.00 44.72 45.52 2d8y s GLY 85 CO 0.08 0.46 0.67 -1.35 0.00 0.00 0.00 173.10 172.96 2d8y s SER 86 N -1.91 -0.52 0.00 1.64 1.04 -1.26 -5.18 113.70 107.51 2d8y s SER 86 Ca -0.06 -0.00 0.00 0.00 0.48 0.00 0.00 55.95 56.37 2d8y s SER 86 Cb -0.01 0.55 0.00 0.00 0.10 0.00 0.00 66.02 66.66 2d8y s SER 86 CO -0.01 -0.89 0.00 0.61 0.98 0.00 0.00 173.24 173.94 2d8y n GLY 87 N -0.35 1.59 3.71 7.32 0.00 -1.26 -5.17 105.19 111.03 2d8y n GLY 87 Ca -0.15 -0.76 -0.29 0.00 0.00 0.00 0.00 46.02 44.82 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 -0.09 1.01 -0.09 1.61 0.04 -1.26 -5.08 135.00 131.14 2d8y s PRO 88 Ca 0.00 0.73 -0.06 0.00 0.04 0.00 0.00 61.00 61.71 2d8y s PRO 88 Cb 0.00 -1.79 0.03 0.00 0.04 0.00 0.00 34.50 32.79 2d8y s PRO 88 CO 0.00 -2.39 0.21 0.45 0.04 0.00 0.00 177.00 175.31 2d8y s SER 89 N -3.44 -0.22 0.27 6.66 0.15 -1.26 -5.17 113.70 110.70 2d8y s SER 89 Ca 0.64 0.44 0.02 0.00 0.70 0.00 0.00 55.95 57.76 2d8y s SER 89 Cb -0.18 0.38 -0.04 0.00 -1.71 0.00 0.00 66.02 64.47 2d8y s SER 89 CO 0.57 -0.12 0.17 -0.55 1.20 0.00 0.00 173.24 174.51 2d8y s SER 90 N 0.72 1.03 0.00 5.45 0.15 -1.26 -5.38 113.70 114.41 2d8y s SER 90 Ca -0.05 -1.53 0.00 0.00 0.70 0.00 0.00 55.95 55.07 2d8y s SER 90 Cb -0.06 0.41 0.00 0.00 -1.71 0.00 0.00 66.02 64.65 2d8y s SER 90 CO -0.04 -0.90 0.00 0.61 1.20 0.00 0.00 173.24 174.11