#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pea s GLN 2 N 0.00 3.70 0.23 3.17 -1.52 -1.26 -0.11 119.66 123.86 2pea s GLN 2 Ca 0.00 0.13 0.03 0.00 -1.95 0.00 0.00 55.36 53.57 2pea s GLN 2 Cb 0.00 -3.13 -0.05 0.00 -0.22 0.00 0.00 33.01 29.61 2pea s GLN 2 CO 0.00 0.67 -0.00 0.96 -0.25 0.00 0.00 175.29 176.66 2pea s ILE 3 N -1.20 1.01 -0.02 1.08 -4.36 -0.43 -0.85 121.20 116.43 2pea s ILE 3 Ca 0.25 -2.03 0.06 0.00 -0.26 0.00 0.00 60.65 58.67 2pea s ILE 3 Cb -0.14 -2.32 -0.02 0.00 1.25 0.00 0.00 42.46 41.23 2pea s ILE 3 CO 0.13 -0.34 -0.20 -0.36 0.24 0.00 0.00 174.94 174.41 2pea s PHE 4 N -3.44 1.82 -0.13 1.37 0.08 -0.05 -1.36 117.98 116.27 2pea s PHE 4 Ca 0.28 -0.34 0.02 0.00 0.12 0.00 0.00 56.93 57.00 2pea s PHE 4 Cb 0.06 -1.17 0.02 0.00 -0.57 0.00 0.00 43.02 41.35 2pea s PHE 4 CO 0.08 -0.03 -0.18 0.08 -0.10 0.00 0.00 175.22 175.07 2pea s VAL 5 N -0.47 1.74 -0.08 -0.44 1.01 0.70 0.69 120.40 123.55 2pea s VAL 5 Ca 0.08 -0.78 -0.05 0.00 0.00 0.00 0.00 61.98 61.23 2pea s VAL 5 Cb -0.08 -1.58 -0.04 0.00 0.00 0.00 0.00 36.38 34.68 2pea s VAL 5 CO -0.01 0.49 0.16 -0.54 0.00 0.00 0.00 175.10 175.20 2pea s LYS 6 N 1.05 3.44 0.35 2.72 1.02 -0.36 0.02 119.74 127.99 2pea s LYS 6 Ca -0.03 -0.20 0.07 0.00 0.02 0.00 0.00 55.97 55.82 2pea s LYS 6 Cb -0.15 -3.15 -0.01 0.00 -0.52 0.00 0.00 37.83 34.00 2pea s LYS 6 CO -0.04 0.74 0.44 0.95 -0.92 0.00 0.00 175.35 176.51 2pea s THR 7 N -1.14 3.74 0.40 2.17 -4.23 0.52 -1.30 115.64 115.80 2pea s THR 7 Ca 0.20 -1.10 0.39 0.00 -1.18 0.00 0.00 61.69 60.00 2pea s THR 7 Cb -0.12 -3.28 0.41 0.00 1.34 0.00 0.00 72.50 70.85 2pea s THR 7 CO 0.10 -0.13 2.19 -0.07 -0.54 0.00 0.00 174.62 176.16 2pea h LEU 8 N 0.95 0.00 -1.28 4.79 3.38 -1.89 -1.68 115.31 119.58 2pea h LEU 8 Ca -0.45 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.52 2pea h LEU 8 Cb 1.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.01 2pea h LEU 8 CO 0.53 0.00 -0.00 0.35 0.09 0.00 0.00 178.44 179.41 2pea n THR 9 N -3.03 0.00 -0.27 0.22 -2.24 -1.26 -4.93 114.28 102.77 2pea n THR 9 Ca -0.02 -0.33 0.00 0.00 -2.27 0.00 0.00 64.05 61.43 2pea n THR 9 Cb 0.16 0.83 0.00 0.00 -2.10 0.00 0.00 70.33 69.22 2pea n THR 9 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2pea n GLY 10 N 1.23 0.85 3.84 3.38 0.00 -0.63 -5.08 105.19 108.79 2pea n GLY 10 Ca 0.17 -0.11 -0.35 0.00 0.00 0.00 0.00 46.02 45.73 2pea n GLY 10 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2pea s LYS 11 N -0.66 3.99 -0.13 1.61 2.20 -1.26 -4.86 119.74 120.64 2pea s LYS 11 Ca 0.00 0.50 0.02 0.00 -0.36 0.00 0.00 55.97 56.13 2pea s LYS 11 Cb 0.00 -2.93 -0.00 0.00 -1.51 0.00 0.00 37.83 33.39 2pea s LYS 11 CO 0.00 0.48 -0.19 0.99 -0.36 0.00 0.00 175.35 176.26 2pea s THR 12 N -1.46 2.40 -0.07 3.43 2.01 -1.26 -0.36 115.64 120.33 2pea s THR 12 Ca 0.38 -0.88 0.01 0.00 0.31 0.00 0.00 61.69 61.51 2pea s THR 12 Cb -0.15 -1.97 -0.03 0.00 0.01 0.00 0.00 72.50 70.36 2pea s THR 12 CO 0.19 0.54 -0.09 -0.63 -0.69 0.00 0.00 174.62 173.94 2pea s ILE 13 N 0.55 3.51 -0.16 1.82 1.01 0.10 -4.93 121.20 123.12 2pea s ILE 13 Ca -0.12 -0.55 -0.06 0.00 0.00 0.00 0.00 60.65 59.93 2pea s ILE 13 Cb -0.16 -2.43 -0.04 0.00 0.01 0.00 0.00 42.46 39.84 2pea s ILE 13 CO 0.04 0.59 0.04 -0.89 0.00 0.00 0.00 174.94 174.71 2pea s THR 14 N -0.67 4.56 0.09 2.92 2.01 -1.26 -0.22 115.64 123.07 2pea s THR 14 Ca 0.10 -0.12 0.07 0.00 0.31 0.00 0.00 61.69 62.05 2pea s THR 14 Cb -0.11 -3.02 -0.03 0.00 0.01 0.00 0.00 72.50 69.34 2pea s THR 14 CO 0.01 0.50 -0.18 -0.76 -0.69 0.00 0.00 174.62 173.50 2pea s LEU 15 N 0.10 2.30 -0.26 4.42 1.43 -0.46 -4.98 118.68 121.23 2pea s LEU 15 Ca 0.04 -0.67 -0.10 0.00 -1.03 0.00 0.00 54.13 52.36 2pea s LEU 15 Cb -0.13 -0.74 -0.05 0.00 0.03 0.00 0.00 46.19 45.31 2pea s LEU 15 CO 0.01 0.00 0.16 -0.70 0.23 0.00 0.00 176.35 176.05 2pea s GLU 16 N -1.89 3.96 0.17 1.70 2.12 -1.26 -1.32 118.70 122.17 2pea s GLU 16 Ca 0.04 -0.32 -0.01 0.00 0.36 0.00 0.00 54.97 55.03 2pea s GLU 16 Cb -0.10 -3.56 -0.04 0.00 0.26 0.00 0.00 34.13 30.69 2pea s GLU 16 CO 0.04 -0.08 0.10 0.14 -0.54 0.00 0.00 175.26 174.92 2pea s VAL 17 N 1.44 0.04 0.14 3.70 -7.23 0.84 -4.94 120.40 114.38 2pea s VAL 17 Ca 0.07 -1.96 0.10 0.00 -1.81 0.00 0.00 61.98 58.38 2pea s VAL 17 Cb -0.15 -2.30 -0.04 0.00 0.56 0.00 0.00 36.38 34.45 2pea s VAL 17 CO 0.07 -0.20 -0.23 -1.61 -0.31 0.00 0.00 175.10 172.83 2pea s GLU 18 N -4.11 1.58 0.61 4.82 0.41 -1.26 0.16 118.70 120.91 2pea s GLU 18 Ca 0.33 -1.32 0.32 0.00 -0.41 0.00 0.00 54.97 53.89 2pea s GLU 18 Cb 0.07 -1.98 1.84 0.00 -1.78 0.00 0.00 34.13 32.28 2pea s GLU 18 CO 0.08 0.45 2.19 -1.35 -0.49 0.00 0.00 175.26 176.13 2pea h PRO 19 N 3.68 0.00 -0.01 0.39 0.11 -1.96 0.11 132.00 134.32 2pea h PRO 19 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2pea h PRO 19 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2pea h PRO 19 CO 0.43 0.00 -0.05 -1.13 -0.21 0.00 0.00 178.00 177.05 2pea n SER 20 N -3.64 0.69 -4.77 -2.05 3.41 -1.26 -1.68 113.62 104.32 2pea n SER 20 Ca -0.01 -1.02 -0.39 0.00 -0.26 0.00 0.00 58.87 57.20 2pea n SER 20 Cb 0.20 -0.02 -0.02 0.00 -0.26 0.00 0.00 64.21 64.11 2pea n SER 20 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 2pea s ASP 21 N -2.18 6.62 0.45 4.04 1.01 0.02 -4.86 116.67 121.77 2pea s ASP 21 Ca 0.37 2.37 -0.08 0.00 0.71 0.00 0.00 52.55 55.92 2pea s ASP 21 Cb 0.21 -2.62 -0.05 0.00 1.01 0.00 0.00 42.92 41.47 2pea s ASP 21 CO 0.40 -0.61 0.79 0.42 0.21 0.00 0.00 175.17 176.38 2pea s THR 22 N -1.36 4.83 0.23 -1.27 -4.23 -1.26 -2.08 115.64 110.50 2pea s THR 22 Ca 0.55 0.47 -0.06 0.00 -1.18 0.00 0.00 61.69 61.46 2pea s THR 22 Cb -0.32 -3.79 0.20 0.00 1.34 0.00 0.00 72.50 69.93 2pea s THR 22 CO 0.40 -0.69 1.84 0.40 -0.54 0.00 0.00 174.62 176.03 2pea h ILE 23 N 0.65 1.26 -0.84 2.99 1.08 -1.45 -0.63 117.51 120.57 2pea h ILE 23 Ca -0.47 -0.68 0.01 0.00 -0.39 0.00 0.00 64.86 63.33 2pea h ILE 23 Cb 1.19 0.12 -0.04 0.00 -3.07 0.00 0.00 36.82 35.03 2pea h ILE 23 CO 0.63 0.30 0.56 -0.08 -0.69 0.00 0.00 178.15 178.87 2pea h GLU 24 N 1.22 1.11 -0.62 2.37 4.81 -1.82 0.73 114.58 122.38 2pea h GLU 24 Ca 0.30 -0.07 -0.10 0.00 -0.13 0.00 0.00 59.36 59.37 2pea h GLU 24 Cb 0.08 -0.25 -0.02 0.00 0.63 0.00 0.00 28.75 29.18 2pea h GLU 24 CO -0.04 0.73 0.01 -0.91 -0.73 0.00 0.00 179.01 178.07 2pea h ASN 25 N 1.14 1.06 -0.52 1.04 4.21 -1.57 -1.23 115.58 119.72 2pea h ASN 25 Ca 0.31 -0.30 -0.03 0.00 1.21 0.00 0.00 56.30 57.49 2pea h ASN 25 Cb -0.13 -0.29 -0.02 0.00 -1.12 0.00 0.00 38.32 36.76 2pea h ASN 25 CO -0.07 1.11 0.22 0.58 -1.29 0.00 0.00 177.43 177.98 2pea h VAL 26 N 0.99 1.21 -1.00 2.81 2.07 0.02 -1.47 116.25 120.88 2pea h VAL 26 Ca 0.18 -0.64 0.01 0.00 0.82 0.00 0.00 66.70 67.07 2pea h VAL 26 Cb 0.56 0.66 -0.05 0.00 -1.52 0.00 0.00 31.29 30.94 2pea h VAL 26 CO 0.03 0.24 0.66 0.11 0.02 0.00 0.00 177.57 178.64 2pea h LYS 27 N 0.70 1.32 -0.68 1.57 1.57 -0.64 -1.60 116.57 118.81 2pea h LYS 27 Ca 0.17 -0.08 -0.03 0.00 -1.87 0.00 0.00 60.65 58.84 2pea h LYS 27 Cb 0.17 -0.30 -0.03 0.00 0.08 0.00 0.00 32.23 32.15 2pea h LYS 27 CO -0.02 0.88 0.30 0.00 -0.57 0.00 0.00 179.45 180.04 2pea h ALA 28 N 1.37 1.25 -0.58 3.86 0.00 -0.65 0.09 119.26 124.60 2pea h ALA 28 Ca 0.37 -0.15 -0.09 0.00 0.00 0.00 0.00 54.91 55.04 2pea h ALA 28 Cb -0.15 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.34 2pea h ALA 28 CO -0.08 0.56 0.02 0.87 0.00 0.00 0.00 179.25 180.62 2pea h LYS 29 N 0.96 0.99 -0.69 0.00 1.57 -0.39 -1.72 116.57 117.30 2pea h LYS 29 Ca 0.23 -0.29 -0.08 0.00 -1.87 0.00 0.00 60.65 58.64 2pea h LYS 29 Cb 0.14 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.32 2pea h LYS 29 CO -0.03 0.97 0.13 0.82 -0.57 0.00 0.00 179.45 180.77 2pea h ILE 30 N 0.91 1.26 -0.59 1.86 2.04 -0.56 -2.21 117.51 120.23 2pea h ILE 30 Ca 0.17 -1.03 0.01 0.00 1.00 0.00 0.00 64.86 65.01 2pea h ILE 30 Cb 0.51 0.59 -0.03 0.00 -0.74 0.00 0.00 36.82 37.15 2pea h ILE 30 CO 0.02 0.39 0.39 -0.61 0.00 0.00 0.00 178.15 178.34 2pea h GLN 31 N 1.06 0.78 -0.93 2.37 4.15 -0.61 0.39 115.11 122.33 2pea h GLN 31 Ca 0.21 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.59 2pea h GLN 31 Cb 0.42 -0.18 -0.05 0.00 0.21 0.00 0.00 27.48 27.89 2pea h GLN 31 CO 0.01 0.52 0.59 0.22 -1.93 0.00 0.00 178.83 178.24 2pea h ASP 32 N 0.80 1.09 0.23 -0.69 1.82 -1.01 0.21 116.42 118.87 2pea h ASP 32 Ca 0.22 -0.04 -0.34 0.00 -0.39 0.00 0.00 57.03 56.47 2pea h ASP 32 Cb -0.09 -0.27 0.03 0.00 0.68 0.00 0.00 39.33 39.68 2pea h ASP 32 CO -0.05 0.81 -1.54 0.11 -1.61 0.00 0.00 179.24 176.96 2pea h LYS 33 N 1.27 0.49 0.00 0.28 1.57 -0.79 -3.41 116.57 115.98 2pea h LYS 33 Ca 0.34 -0.84 0.00 0.00 -1.87 0.00 0.00 60.65 58.28 2pea h LYS 33 Cb -0.11 0.31 0.00 0.00 0.08 0.00 0.00 32.23 32.51 2pea h LYS 33 CO -0.07 1.40 -0.95 0.39 -0.57 0.00 0.00 179.45 179.65 2pea n GLU 34 N -3.70 2.07 -0.88 3.15 -0.58 0.13 -5.01 120.64 115.81 2pea n GLU 34 Ca -0.19 -0.05 0.00 0.00 -0.42 0.00 0.00 57.16 56.50 2pea n GLU 34 Cb 1.09 -1.10 0.00 0.00 -0.57 0.00 0.00 31.44 30.86 2pea n GLU 34 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2pea n GLY 35 N 1.57 0.55 3.61 0.62 0.00 0.75 -5.02 105.19 107.27 2pea n GLY 35 Ca 0.00 -0.11 -0.42 0.00 0.00 0.00 0.00 46.02 45.49 2pea n GLY 35 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2pea s ILE 36 N -2.00 4.78 0.28 -0.61 1.01 -1.26 -5.02 121.20 118.39 2pea s ILE 36 Ca 0.00 1.18 -0.30 0.00 0.00 0.00 0.00 60.65 61.53 2pea s ILE 36 Cb 0.00 -4.16 -0.12 0.00 0.01 0.00 0.00 42.46 38.19 2pea s ILE 36 CO 0.00 -0.27 1.57 -2.65 0.00 0.00 0.00 174.94 173.59 2pea n PRO 37 N 6.24 2.59 -0.27 2.79 -0.02 -1.26 -4.21 135.00 140.86 2pea n PRO 37 Ca 0.04 0.92 0.30 0.00 -2.02 0.00 0.00 63.50 62.74 2pea n PRO 37 Cb 0.48 -2.69 0.69 0.00 -0.02 0.00 0.00 33.50 31.96 2pea n PRO 37 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 2pea h PRO 38 N 4.78 0.08 0.00 0.52 0.11 -1.95 0.39 132.00 135.93 2pea h PRO 38 Ca -0.46 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2pea h PRO 38 Cb 1.23 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2pea h PRO 38 CO 0.79 0.06 0.00 -0.44 -0.21 0.00 0.00 178.00 178.20 2pea h ASP 39 N 0.09 0.00 -0.16 -2.05 3.32 -2.00 -2.70 116.42 112.93 2pea h ASP 39 Ca 0.52 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.57 2pea h ASP 39 Cb 1.90 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.45 2pea h ASP 39 CO -0.06 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.46 2pea n GLN 40 N -2.50 2.40 -4.44 3.56 6.02 0.12 -4.95 117.38 117.59 2pea n GLN 40 Ca 0.02 -2.06 -0.35 0.00 -0.01 0.00 0.00 57.00 54.60 2pea n GLN 40 Cb 0.27 -1.48 -0.10 0.00 1.02 0.00 0.00 30.24 29.95 2pea n GLN 40 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 2pea s GLN 41 N -1.82 2.95 -0.11 -1.09 -0.21 -1.02 -1.95 119.66 116.41 2pea s GLN 41 Ca 0.32 -0.45 0.01 0.00 0.02 0.00 0.00 55.36 55.26 2pea s GLN 41 Cb 0.21 -2.75 0.02 0.00 1.00 0.00 0.00 33.01 31.49 2pea s GLN 41 CO 0.31 0.67 -0.13 1.03 -2.12 0.00 0.00 175.29 175.04 2pea s ARG 42 N -0.80 2.06 -0.17 2.91 0.52 -0.06 -4.99 118.95 118.42 2pea s ARG 42 Ca 0.12 -0.49 -0.06 0.00 -0.52 0.00 0.00 55.73 54.78 2pea s ARG 42 Cb -0.11 -1.83 -0.04 0.00 0.52 0.00 0.00 34.95 33.49 2pea s ARG 42 CO 0.02 -0.12 0.02 -0.51 0.02 0.00 0.00 175.30 174.73 2pea s LEU 43 N 1.18 3.61 -0.03 2.53 1.43 -1.26 -0.35 118.68 125.78 2pea s LEU 43 Ca -0.03 0.01 0.06 0.00 -1.03 0.00 0.00 54.13 53.14 2pea s LEU 43 Cb -0.14 -1.90 -0.01 0.00 0.03 0.00 0.00 46.19 44.17 2pea s LEU 43 CO -0.04 0.18 -0.21 -0.63 0.23 0.00 0.00 176.35 175.87 2pea s ILE 44 N 0.34 1.73 -0.03 -0.59 1.09 -0.11 -0.68 121.20 122.95 2pea s ILE 44 Ca 0.00 -0.91 -0.00 0.00 -1.10 0.00 0.00 60.65 58.64 2pea s ILE 44 Cb -0.13 -1.45 0.03 0.00 -1.06 0.00 0.00 42.46 39.85 2pea s ILE 44 CO 0.01 0.49 0.03 0.12 -0.10 0.00 0.00 174.94 175.49 2pea s PHE 45 N -0.33 0.13 -1.56 3.97 5.36 -0.20 -0.90 117.98 124.45 2pea s PHE 45 Ca 0.03 0.12 -0.15 0.00 -0.96 0.00 0.00 56.93 55.97 2pea s PHE 45 Cb -0.10 -0.36 0.11 0.00 -0.34 0.00 0.00 43.02 42.33 2pea s PHE 45 CO 0.01 -0.13 0.82 0.00 -1.46 0.00 0.00 175.22 174.45 2pea n ALA 46 N 4.49 -1.22 -0.90 11.12 0.00 -1.26 -0.81 120.51 131.93 2pea n ALA 46 Ca -0.21 0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.33 2pea n ALA 46 Cb 0.50 -3.81 0.00 0.00 0.00 0.00 0.00 19.45 16.14 2pea n ALA 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pea n GLY 47 N -1.48 0.95 3.52 0.00 0.00 -1.26 -5.04 105.19 101.89 2pea n GLY 47 Ca 0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.74 2pea n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pea s LYS 48 N -0.10 2.69 -0.02 1.61 1.02 0.01 -5.10 119.74 119.86 2pea s LYS 48 Ca 0.00 -0.62 -0.30 0.00 0.02 0.00 0.00 55.97 55.07 2pea s LYS 48 Cb 0.00 -2.51 -0.03 0.00 -0.52 0.00 0.00 37.83 34.77 2pea s LYS 48 CO 0.00 0.61 1.01 -1.14 -0.92 0.00 0.00 175.35 174.92 2pea s GLN 49 N -0.69 4.52 0.05 1.68 0.74 -1.26 -1.04 119.66 123.66 2pea s GLN 49 Ca 0.10 1.45 -0.22 0.00 0.05 0.00 0.00 55.36 56.74 2pea s GLN 49 Cb -0.11 -3.47 -0.06 0.00 1.10 0.00 0.00 33.01 30.47 2pea s GLN 49 CO 0.01 -0.13 0.67 -0.51 -0.55 0.00 0.00 175.29 174.78 2pea s LEU 50 N 1.25 4.47 0.22 3.68 1.43 0.14 -4.98 118.68 124.90 2pea s LEU 50 Ca 0.52 1.34 -0.09 0.00 -1.03 0.00 0.00 54.13 54.87 2pea s LEU 50 Cb -0.21 -3.07 -0.07 0.00 0.03 0.00 0.00 46.19 42.87 2pea s LEU 50 CO 0.26 0.12 0.54 -1.61 0.23 0.00 0.00 176.35 175.89 2pea s GLU 51 N -0.46 3.79 0.57 1.70 2.02 -1.26 -4.67 118.70 120.38 2pea s GLU 51 Ca 0.34 0.25 0.35 0.00 0.02 0.00 0.00 54.97 55.93 2pea s GLU 51 Cb -0.20 -2.67 1.51 0.00 0.10 0.00 0.00 34.13 32.88 2pea s GLU 51 CO 0.21 0.33 2.04 -0.44 0.02 0.00 0.00 175.26 177.42 2pea h ASP 52 N 2.58 0.00 -0.19 -0.19 5.19 -1.97 -2.95 116.42 118.89 2pea h ASP 52 Ca -0.47 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.94 2pea h ASP 52 Cb 1.17 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.68 2pea h ASP 52 CO 0.69 0.00 0.00 0.61 -3.12 0.00 0.00 179.24 177.43 2pea n GLY 53 N -0.12 0.75 3.78 2.75 0.00 -1.26 -3.38 105.19 107.71 2pea n GLY 53 Ca 0.00 -0.55 -0.23 0.00 0.00 0.00 0.00 46.02 45.25 2pea n GLY 53 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2pea s ARG 54 N -1.76 2.46 0.37 1.61 1.81 -1.11 -4.99 118.95 117.34 2pea s ARG 54 Ca 0.34 -1.51 0.08 0.00 -1.72 0.00 0.00 55.73 52.92 2pea s ARG 54 Cb 0.20 -2.25 -0.03 0.00 -0.45 0.00 0.00 34.95 32.42 2pea s ARG 54 CO 0.29 0.06 0.30 0.95 -0.68 0.00 0.00 175.30 176.23 2pea s THR 55 N -2.41 3.04 0.20 0.02 -4.23 -1.26 -1.51 115.64 109.49 2pea s THR 55 Ca 0.40 -1.42 -0.11 0.00 -1.18 0.00 0.00 61.69 59.38 2pea s THR 55 Cb -0.03 -3.07 0.14 0.00 1.34 0.00 0.00 72.50 70.88 2pea s THR 55 CO 0.24 -0.09 1.87 -0.07 -0.54 0.00 0.00 174.62 176.03 2pea h LEU 56 N 1.20 0.82 -1.78 4.79 3.38 -1.42 -2.38 115.31 119.92 2pea h LEU 56 Ca -0.43 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.50 2pea h LEU 56 Cb 1.26 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.80 2pea h LEU 56 CO 0.59 0.59 -0.07 0.77 0.09 0.00 0.00 178.44 180.41 2pea h SER 57 N 0.97 0.04 0.11 -0.43 4.64 -1.61 -1.40 113.55 115.87 2pea h SER 57 Ca 0.26 -0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.56 2pea h SER 57 Cb -0.11 -0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 61.97 2pea h SER 57 CO -0.06 0.12 -0.09 0.44 -0.87 0.00 0.00 176.83 176.37 2pea h ASP 58 N 0.04 0.00 -0.68 4.97 3.32 -1.71 -1.11 116.42 121.25 2pea h ASP 58 Ca 0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.06 2pea h ASP 58 Cb 0.16 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.71 2pea h ASP 58 CO 0.01 0.09 0.00 -1.22 -1.72 0.00 0.00 179.24 176.40 2pea n TYR 59 N -4.28 1.42 -4.07 4.55 4.01 -0.55 -4.95 117.16 113.29 2pea n TYR 59 Ca -0.03 -0.59 -0.33 0.00 -0.16 0.00 0.00 57.90 56.79 2pea n TYR 59 Cb 0.17 -0.20 -0.00 0.00 -0.31 0.00 0.00 39.34 39.00 2pea n TYR 59 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 2pea n ASN 60 N 1.28 -4.09 -4.66 7.72 3.02 -0.42 -4.91 115.26 113.20 2pea n ASN 60 Ca 0.26 -0.90 -0.43 0.00 -0.03 0.00 0.00 54.58 53.49 2pea n ASN 60 Cb 0.85 -3.32 -0.03 0.00 -0.61 0.00 0.00 39.78 36.67 2pea n ASN 60 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2pea s ILE 61 N -3.29 4.74 0.40 2.41 1.01 -1.06 -5.03 121.20 120.39 2pea s ILE 61 Ca 0.71 1.93 0.08 0.00 0.00 0.00 0.00 60.65 63.37 2pea s ILE 61 Cb -0.37 -4.27 -0.02 0.00 0.01 0.00 0.00 42.46 37.81 2pea s ILE 61 CO 0.88 -0.11 0.34 -1.10 0.00 0.00 0.00 174.94 174.96 2pea s GLN 62 N 2.80 2.53 0.33 2.79 -0.21 -1.26 -4.73 119.66 121.92 2pea s GLN 62 Ca 0.43 -1.53 -0.27 0.00 0.02 0.00 0.00 55.36 54.02 2pea s GLN 62 Cb -0.16 -2.35 -0.13 0.00 1.00 0.00 0.00 33.01 31.37 2pea s GLN 62 CO 0.09 -0.14 1.02 0.36 -2.12 0.00 0.00 175.29 174.50 2pea n LYS 63 N -1.49 1.40 -1.69 2.91 2.85 -1.26 -1.50 118.16 119.38 2pea n LYS 63 Ca 0.02 0.49 -0.14 0.00 -1.05 0.00 0.00 58.31 57.64 2pea n LYS 63 Cb 0.62 -1.93 -0.04 0.00 -0.65 0.00 0.00 35.03 33.02 2pea n LYS 63 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 2pea n GLU 64 N 0.55 -1.01 -2.64 -1.58 1.02 -0.03 -5.00 120.64 111.94 2pea n GLU 64 Ca 0.09 0.89 -0.35 0.00 -0.02 0.00 0.00 57.16 57.77 2pea n GLU 64 Cb 0.35 -5.04 -0.05 0.00 -0.02 0.00 0.00 31.44 26.68 2pea n GLU 64 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 2pea s SER 65 N -2.69 6.68 -0.18 1.62 0.01 -0.56 -4.81 113.70 113.76 2pea s SER 65 Ca 0.00 1.88 -0.02 0.00 1.31 0.00 0.00 55.95 59.12 2pea s SER 65 Cb 0.00 -2.56 -0.01 0.00 0.21 0.00 0.00 66.02 63.66 2pea s SER 65 CO 0.00 -0.54 -0.08 -0.89 0.41 0.00 0.00 173.24 172.14 2pea s THR 66 N -1.94 3.25 0.20 1.44 2.01 -1.26 -0.87 115.64 118.48 2pea s THR 66 Ca 0.62 -0.56 0.06 0.00 0.31 0.00 0.00 61.69 62.12 2pea s THR 66 Cb -0.16 -2.43 -0.04 0.00 0.01 0.00 0.00 72.50 69.88 2pea s THR 66 CO 0.20 0.47 0.18 -0.76 -0.69 0.00 0.00 174.62 174.02 2pea s LEU 67 N 1.01 3.86 -0.11 4.42 1.02 0.22 -4.80 118.68 124.29 2pea s LEU 67 Ca -0.00 -0.16 0.00 0.00 0.02 0.00 0.00 54.13 53.99 2pea s LEU 67 Cb -0.15 -2.43 -0.02 0.00 0.02 0.00 0.00 46.19 43.61 2pea s LEU 67 CO -0.01 0.02 -0.10 -1.00 0.02 0.00 0.00 176.35 175.28 2pea s HIS 68 N -1.93 2.87 -0.15 0.29 3.76 -0.07 -1.22 115.29 118.84 2pea s HIS 68 Ca 0.32 -0.33 -0.05 0.00 -0.15 0.00 0.00 55.06 54.86 2pea s HIS 68 Cb -0.09 -1.80 -0.03 0.00 1.11 0.00 0.00 32.58 31.77 2pea s HIS 68 CO 0.25 0.02 0.02 -1.17 -0.85 0.00 0.00 174.74 173.01 2pea s LEU 69 N -0.11 3.58 0.05 0.89 2.96 -0.42 -0.93 118.68 124.70 2pea s LEU 69 Ca -0.00 0.04 0.09 0.00 -0.22 0.00 0.00 54.13 54.04 2pea s LEU 69 Cb -0.13 -1.87 -0.03 0.00 0.50 0.00 0.00 46.19 44.66 2pea s LEU 69 CO 0.03 0.23 -0.26 -0.69 -1.32 0.00 0.00 176.35 174.35 2pea s VAL 70 N 0.01 2.07 -0.07 1.68 1.01 0.52 -4.13 120.40 121.50 2pea s VAL 70 Ca 0.03 -1.39 0.00 0.00 0.00 0.00 0.00 61.98 60.63 2pea s VAL 70 Cb -0.13 -1.78 -0.03 0.00 0.00 0.00 0.00 36.38 34.44 2pea s VAL 70 CO 0.02 0.32 -0.06 -0.76 0.00 0.00 0.00 175.10 174.62 2pea s LEU 71 N -1.29 3.23 0.00 3.92 1.43 -1.26 -0.88 118.68 123.83 2pea s LEU 71 Ca 0.11 0.01 0.01 0.00 -1.03 0.00 0.00 54.13 53.23 2pea s LEU 71 Cb -0.10 -1.71 0.01 0.00 0.03 0.00 0.00 46.19 44.42 2pea s LEU 71 CO 0.02 0.36 0.53 -1.14 0.23 0.00 0.00 176.35 176.36