#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k9m n ILE 2 N 0.00 0.05 -0.82 2.02 -5.35 -1.26 -4.80 119.36 109.20 3k9m n ILE 2 Ca 0.00 -0.18 -0.10 0.00 -0.27 0.00 0.00 62.75 62.20 3k9m n ILE 2 Cb 0.00 -1.15 -0.14 0.00 -1.74 0.00 0.00 39.64 36.61 3k9m n ILE 2 CO 0.00 0.00 0.00 -0.81 -1.76 0.00 0.00 176.55 173.98 3k9m n PRO 3 N 8.19 1.64 0.00 6.28 -0.05 -1.26 -2.12 135.00 147.68 3k9m n PRO 3 Ca 0.51 -0.81 0.00 0.00 -0.05 0.00 0.00 63.50 63.16 3k9m n PRO 3 Cb 0.14 -1.89 0.00 0.00 -0.05 0.00 0.00 33.50 31.70 3k9m n PRO 3 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 175.50 175.86 3k9m n GLY 4 N 2.55 0.00 2.00 0.55 0.00 -1.26 -5.11 105.19 103.92 3k9m n GLY 4 Ca 0.35 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.23 3k9m n GLY 4 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k9m n GLY 5 N 0.00 -0.31 3.88 -0.02 0.00 -0.90 -4.80 105.19 103.04 3k9m n GLY 5 Ca 0.00 -1.84 -0.35 0.00 0.00 0.00 0.00 46.02 43.83 3k9m n GLY 5 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3k9m s LEU 6 N 0.00 4.38 0.72 0.99 1.43 -1.26 -4.32 118.68 120.62 3k9m s LEU 6 Ca 0.37 0.61 -0.16 0.00 -1.03 0.00 0.00 54.13 53.92 3k9m s LEU 6 Cb -0.01 -2.67 0.01 0.00 0.03 0.00 0.00 46.19 43.55 3k9m s LEU 6 CO 0.25 0.26 1.03 -1.54 0.23 0.00 0.00 176.35 176.58 3k9m n SER 7 N 1.20 0.75 -4.30 2.29 3.41 0.52 -4.96 113.62 112.53 3k9m n SER 7 Ca -0.12 0.68 -0.33 0.00 -0.26 0.00 0.00 58.87 58.85 3k9m n SER 7 Cb 0.53 -1.44 0.15 0.00 -0.26 0.00 0.00 64.21 63.19 3k9m n SER 7 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 3k9m n GLU 8 N -1.98 -1.10 -2.54 4.33 0.28 -1.26 -4.53 120.64 113.83 3k9m n GLU 8 Ca 0.13 -0.30 -0.37 0.00 -0.16 0.00 0.00 57.16 56.47 3k9m n GLU 8 Cb 0.49 -1.71 -0.04 0.00 1.43 0.00 0.00 31.44 31.61 3k9m n GLU 8 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3k9m s ALA 9 N -2.27 3.13 -0.06 -1.84 0.00 -1.26 -4.74 121.76 114.72 3k9m s ALA 9 Ca 0.55 0.72 0.03 0.00 0.00 0.00 0.00 51.96 53.26 3k9m s ALA 9 Cb -0.14 -3.28 0.00 0.00 0.00 0.00 0.00 23.12 19.71 3k9m s ALA 9 CO 0.67 -0.19 -0.16 0.15 0.00 0.00 0.00 175.76 176.23 3k9m s LYS 10 N -2.34 1.91 0.33 0.00 1.02 -0.62 -4.98 119.74 115.05 3k9m s LYS 10 Ca 0.56 -0.57 -0.27 0.00 0.02 0.00 0.00 55.97 55.71 3k9m s LYS 10 Cb -0.23 -1.58 -0.13 0.00 -0.52 0.00 0.00 37.83 35.36 3k9m s LYS 10 CO 0.29 0.15 0.98 -2.30 -0.92 0.00 0.00 175.35 173.55 3k9m n PRO 11 N 3.44 1.31 -0.98 -1.68 -0.02 -1.26 -2.52 135.00 133.28 3k9m n PRO 11 Ca -0.20 0.46 -0.32 0.00 -2.02 0.00 0.00 63.50 61.43 3k9m n PRO 11 Cb 0.53 -1.87 0.13 0.00 -0.02 0.00 0.00 33.50 32.26 3k9m n PRO 11 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3k9m s ALA 12 N -1.14 1.80 0.33 3.55 0.00 0.12 -4.84 121.76 121.59 3k9m s ALA 12 Ca 0.60 0.55 0.04 0.00 0.00 0.00 0.00 51.96 53.15 3k9m s ALA 12 Cb -0.66 -3.41 -0.03 0.00 0.00 0.00 0.00 23.12 19.02 3k9m s ALA 12 CO 0.59 -2.33 0.16 0.95 0.00 0.00 0.00 175.76 175.13 3k9m s THR 13 N -2.60 0.37 0.57 0.00 -4.23 -1.26 -5.02 115.64 103.47 3k9m s THR 13 Ca 0.66 -2.00 0.37 0.00 -1.18 0.00 0.00 61.69 59.54 3k9m s THR 13 Cb -0.22 -2.49 0.39 0.00 1.34 0.00 0.00 72.50 71.53 3k9m s THR 13 CO 0.55 0.00 2.27 -0.65 -0.54 0.00 0.00 174.62 176.25 3k9m h PRO 14 N 2.11 0.00 0.32 3.99 0.11 -1.97 0.21 132.00 136.77 3k9m h PRO 14 Ca -0.33 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.76 3k9m h PRO 14 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 3k9m h PRO 14 CO 0.52 0.02 -0.15 1.49 -0.21 0.00 0.00 178.00 179.66 3k9m h GLU 15 N 0.00 -0.41 -0.31 1.05 4.81 -1.98 0.48 114.58 118.21 3k9m h GLU 15 Ca -0.00 0.03 0.09 0.00 -0.13 0.00 0.00 59.36 59.35 3k9m h GLU 15 Cb 0.08 0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.54 3k9m h GLU 15 CO 0.00 -0.08 0.26 0.82 -0.73 0.00 0.00 179.01 179.29 3k9m h ILE 16 N -0.85 0.64 -0.02 2.32 5.03 -1.87 0.21 117.51 122.98 3k9m h ILE 16 Ca -0.04 0.00 -0.23 0.00 -0.12 0.00 0.00 64.86 64.47 3k9m h ILE 16 Cb 0.52 0.80 0.00 0.00 -3.03 0.00 0.00 36.82 35.12 3k9m h ILE 16 CO 0.07 0.00 -0.92 -0.61 -0.68 0.00 0.00 178.15 176.01 3k9m h GLN 17 N 0.00 0.48 -0.02 2.37 5.75 -0.74 -2.97 115.11 119.98 3k9m h GLN 17 Ca 0.15 -0.49 -0.06 0.00 -0.15 0.00 0.00 58.65 58.10 3k9m h GLN 17 Cb 0.68 0.13 -0.01 0.00 1.07 0.00 0.00 27.48 29.35 3k9m h GLN 17 CO -0.00 1.13 -0.28 1.49 -2.65 0.00 0.00 178.83 178.52 3k9m h GLU 18 N 0.28 0.03 0.70 1.69 4.81 0.32 -2.76 114.58 119.65 3k9m h GLU 18 Ca -0.08 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.11 3k9m h GLU 18 Cb 1.56 -0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.94 3k9m h GLU 18 CO 0.16 0.31 -0.34 0.82 -0.73 0.00 0.00 179.01 179.24 3k9m h ILE 19 N 0.03 0.10 -0.74 2.32 2.04 -1.36 -0.26 117.51 119.65 3k9m h ILE 19 Ca 0.00 -0.28 0.19 0.00 1.00 0.00 0.00 64.86 65.77 3k9m h ILE 19 Cb 0.52 0.13 -0.04 0.00 -0.74 0.00 0.00 36.82 36.69 3k9m h ILE 19 CO 0.04 0.01 0.51 -0.37 0.00 0.00 0.00 178.15 178.34 3k9m h VAL 20 N -1.19 0.69 0.17 1.67 -1.51 -1.42 0.25 116.25 114.91 3k9m h VAL 20 Ca -0.10 -0.06 -0.30 0.00 -1.23 0.00 0.00 66.70 65.02 3k9m h VAL 20 Cb 0.74 0.51 0.02 0.00 -2.13 0.00 0.00 31.29 30.44 3k9m h VAL 20 CO 0.16 0.03 -1.32 0.44 -1.23 0.00 0.00 177.57 175.64 3k9m h ASP 21 N 0.17 0.66 0.35 4.19 3.45 -1.47 -0.81 116.42 122.94 3k9m h ASP 21 Ca 0.36 -0.68 -0.07 0.00 0.43 0.00 0.00 57.03 57.07 3k9m h ASP 21 Cb 1.17 -0.21 -0.01 0.00 -0.56 0.00 0.00 39.33 39.72 3k9m h ASP 21 CO -0.06 1.52 -0.35 0.11 -1.57 0.00 0.00 179.24 178.89 3k9m h LYS 22 N 0.14 0.01 -0.27 3.56 1.79 0.12 -2.73 116.57 119.18 3k9m h LYS 22 Ca -0.19 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.28 3k9m h LYS 22 Cb 2.03 -0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.68 3k9m h LYS 22 CO 0.24 0.36 0.00 1.33 -1.08 0.00 0.00 179.45 180.30 3k9m n VAL 23 N -4.12 0.51 0.08 0.50 0.24 0.20 -4.42 118.33 111.32 3k9m n VAL 23 Ca -0.02 -0.76 -0.15 0.00 -2.04 0.00 0.00 64.34 61.38 3k9m n VAL 23 Cb 0.39 0.91 -0.09 0.00 -1.47 0.00 0.00 33.84 33.58 3k9m n VAL 23 CO 0.00 0.00 0.00 0.50 -2.14 0.00 0.00 176.83 175.19 3k9m h LYS 24 N 3.12 -0.63 -0.98 7.34 3.64 -0.81 -0.66 116.57 127.59 3k9m h LYS 24 Ca 0.00 0.04 0.21 0.00 -1.27 0.00 0.00 60.65 59.63 3k9m h LYS 24 Cb 0.77 0.14 -0.09 0.00 -0.41 0.00 0.00 32.23 32.64 3k9m h LYS 24 CO 0.00 -0.42 0.62 -1.00 -2.27 0.00 0.00 179.45 176.38 3k9m h PRO 25 N -0.66 0.58 -0.27 1.90 0.13 -1.77 0.20 132.00 132.12 3k9m h PRO 25 Ca 0.00 -0.03 -0.10 0.00 -0.87 0.00 0.00 66.00 64.99 3k9m h PRO 25 Cb 0.68 -0.13 -0.01 0.00 0.13 0.00 0.00 31.00 31.67 3k9m h PRO 25 CO -0.30 0.38 -0.28 1.96 -0.23 0.00 0.00 178.00 179.54 3k9m h GLN 26 N 0.59 0.53 0.00 0.86 4.20 -1.64 -2.78 115.11 116.88 3k9m h GLN 26 Ca 0.55 -0.21 -0.18 0.00 0.06 0.00 0.00 58.65 58.87 3k9m h GLN 26 Cb 1.09 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.82 3k9m h GLN 26 CO -0.31 0.76 -0.85 1.25 -0.67 0.00 0.00 178.83 179.01 3k9m h LEU 27 N 0.46 0.00 0.01 1.46 5.85 0.48 -3.32 115.31 120.25 3k9m h LEU 27 Ca 0.06 0.00 0.03 0.00 0.84 0.00 0.00 57.88 58.81 3k9m h LEU 27 Cb 0.72 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.71 3k9m h LEU 27 CO 0.06 0.85 -0.22 -0.08 -0.34 0.00 0.00 178.44 178.71 3k9m h GLU 28 N 0.00 -0.34 0.00 1.25 4.81 -0.86 -2.64 114.58 116.80 3k9m h GLU 28 Ca -0.01 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 3k9m h GLU 28 Cb 1.54 0.08 0.00 0.00 0.63 0.00 0.00 28.75 31.00 3k9m h GLU 28 CO 0.11 -0.23 0.00 0.93 -0.73 0.00 0.00 179.01 179.09 3k9m h GLU 29 N -0.35 0.00 0.21 1.92 3.07 -1.63 0.22 114.58 118.01 3k9m h GLU 29 Ca 0.06 0.00 -0.32 0.00 -0.50 0.00 0.00 59.36 58.60 3k9m h GLU 29 Cb 0.43 0.00 0.02 0.00 -0.84 0.00 0.00 28.75 28.36 3k9m h GLU 29 CO -0.19 0.00 -1.48 0.87 -1.40 0.00 0.00 179.01 176.80 3k9m h LYS 30 N 0.00 0.44 0.00 2.33 1.57 -1.61 -3.27 116.57 116.03 3k9m h LYS 30 Ca 0.00 -0.75 0.00 0.00 -1.87 0.00 0.00 60.65 58.03 3k9m h LYS 30 Cb 0.72 0.28 0.00 0.00 0.08 0.00 0.00 32.23 33.31 3k9m h LYS 30 CO 0.00 1.36 -0.64 0.25 -0.57 0.00 0.00 179.45 179.85 3k9m n THR 31 N -3.75 0.11 -0.45 -0.16 -2.24 -1.02 -4.94 114.28 101.84 3k9m n THR 31 Ca -0.20 -0.11 0.00 0.00 -2.27 0.00 0.00 64.05 61.47 3k9m n THR 31 Cb 1.04 0.18 0.00 0.00 -2.10 0.00 0.00 70.33 69.45 3k9m n THR 31 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3k9m n ASN 32 N -1.73 0.00 -4.69 3.42 4.05 0.76 -4.99 115.26 112.09 3k9m n ASN 32 Ca 0.04 0.00 -0.29 0.00 0.45 0.00 0.00 54.58 54.78 3k9m n ASN 32 Cb 0.38 -0.89 0.15 0.00 1.23 0.00 0.00 39.78 40.64 3k9m n ASN 32 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 177.26 172.60 3k9m s GLU 33 N -0.24 0.94 -0.17 1.20 0.41 -1.12 -4.92 118.70 114.79 3k9m s GLU 33 Ca 0.00 0.24 -0.02 0.00 -0.41 0.00 0.00 54.97 54.78 3k9m s GLU 33 Cb 0.00 -1.82 0.05 0.00 -1.78 0.00 0.00 34.13 30.58 3k9m s GLU 33 CO 0.00 -2.33 0.01 0.99 -0.49 0.00 0.00 175.26 173.44 3k9m s THR 34 N -3.28 0.65 -0.10 3.63 2.01 -1.26 -4.70 115.64 112.59 3k9m s THR 34 Ca 0.65 -0.49 -0.04 0.00 0.31 0.00 0.00 61.69 62.12 3k9m s THR 34 Cb -0.14 -1.03 -0.04 0.00 0.01 0.00 0.00 72.50 71.30 3k9m s THR 34 CO 0.54 -0.06 0.05 -0.31 -0.69 0.00 0.00 174.62 174.14 3k9m s TYR 35 N 1.81 3.32 0.28 4.92 2.02 -1.26 -5.00 117.35 123.44 3k9m s TYR 35 Ca 0.00 0.31 0.17 0.00 -0.37 0.00 0.00 57.07 57.19 3k9m s TYR 35 Cb -0.16 -1.84 0.78 0.00 -0.40 0.00 0.00 41.96 40.34 3k9m s TYR 35 CO -0.07 0.56 1.80 0.78 -1.57 0.00 0.00 175.55 177.05 3k9m h GLY 36 N 5.10 0.00 0.00 0.71 0.00 -1.99 -3.45 103.07 103.45 3k9m h GLY 36 Ca -0.52 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.81 3k9m h GLY 36 CO 0.56 0.00 0.00 1.17 0.00 0.00 0.00 176.54 178.27 3k9m n LYS 37 N -3.76 0.00 -2.82 4.80 0.00 -1.26 -5.12 118.16 110.00 3k9m n LYS 37 Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 58.31 57.88 3k9m n LYS 37 Cb 0.44 0.00 -0.03 0.00 0.00 0.00 0.00 35.03 35.44 3k9m n LYS 37 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 3k9m s LEU 38 N 0.00 4.27 -0.34 3.14 1.43 -1.26 -4.77 118.68 121.15 3k9m s LEU 38 Ca 0.00 1.40 0.01 0.00 -1.03 0.00 0.00 54.13 54.51 3k9m s LEU 38 Cb 0.00 -3.37 0.09 0.00 0.03 0.00 0.00 46.19 42.94 3k9m s LEU 38 CO 0.00 -0.32 0.06 -1.83 0.23 0.00 0.00 176.35 174.49 3k9m s GLU 39 N 1.54 1.84 0.37 1.70 -1.05 -1.11 -4.86 118.70 117.14 3k9m s GLU 39 Ca 0.44 -1.71 -0.27 0.00 -0.15 0.00 0.00 54.97 53.29 3k9m s GLU 39 Cb -0.18 -3.25 -0.09 0.00 -0.44 0.00 0.00 34.13 30.16 3k9m s GLU 39 CO 0.19 -0.88 1.22 0.00 0.95 0.00 0.00 175.26 176.74 3k9m s ALA 40 N 1.03 3.28 0.00 -0.84 0.00 -1.26 -0.47 121.76 123.51 3k9m s ALA 40 Ca 0.05 1.08 0.00 0.00 0.00 0.00 0.00 51.96 53.09 3k9m s ALA 40 Cb -0.20 -3.42 0.00 0.00 0.00 0.00 0.00 23.12 19.50 3k9m s ALA 40 CO -0.06 -0.57 0.00 1.33 0.00 0.00 0.00 175.76 176.47 3k9m n VAL 41 N 0.39 0.00 -4.30 0.00 0.24 0.27 -4.80 118.33 110.14 3k9m n VAL 41 Ca 0.02 0.00 -0.22 0.00 -2.04 0.00 0.00 64.34 62.10 3k9m n VAL 41 Cb 0.45 -0.29 -0.12 0.00 -1.47 0.00 0.00 33.84 32.40 3k9m n VAL 41 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 3k9m s GLN 42 N -1.54 1.16 0.00 7.34 -0.21 -1.24 -0.70 119.66 124.48 3k9m s GLN 42 Ca 0.00 -1.26 -0.25 0.00 0.02 0.00 0.00 55.36 53.87 3k9m s GLN 42 Cb 0.00 -1.31 0.06 0.00 1.00 0.00 0.00 33.01 32.76 3k9m s GLN 42 CO 0.00 0.29 0.57 1.52 -2.12 0.00 0.00 175.29 175.55 3k9m s TYR 43 N -1.59 -0.51 0.12 0.91 -0.85 -1.05 -0.83 117.35 113.57 3k9m s TYR 43 Ca 0.10 0.74 0.10 0.00 -0.52 0.00 0.00 57.07 57.49 3k9m s TYR 43 Cb -0.08 0.36 -0.04 0.00 0.38 0.00 0.00 41.96 42.58 3k9m s TYR 43 CO 0.05 -0.61 -0.25 0.15 -1.52 0.00 0.00 175.55 173.37 3k9m s LYS 44 N -1.81 1.32 0.39 -3.49 1.02 -0.96 -1.60 119.74 114.62 3k9m s LYS 44 Ca -0.09 -1.30 0.08 0.00 0.02 0.00 0.00 55.97 54.68 3k9m s LYS 44 Cb -0.01 -1.74 -0.04 0.00 -0.52 0.00 0.00 37.83 35.52 3k9m s LYS 44 CO 0.04 0.41 0.24 0.95 -0.92 0.00 0.00 175.35 176.07 3k9m s THR 45 N -1.13 2.67 -0.25 2.17 -4.23 -1.26 -0.53 115.64 113.08 3k9m s THR 45 Ca 0.12 -1.56 -0.23 0.00 -1.18 0.00 0.00 61.69 58.84 3k9m s THR 45 Cb -0.10 -3.01 0.07 0.00 1.34 0.00 0.00 72.50 70.80 3k9m s THR 45 CO 0.06 -0.05 0.68 -1.58 -0.54 0.00 0.00 174.62 173.18 3k9m s GLN 46 N -3.97 0.79 -0.32 3.99 0.74 -1.03 -0.35 119.66 119.51 3k9m s GLN 46 Ca 0.43 0.94 -0.19 0.00 0.05 0.00 0.00 55.36 56.59 3k9m s GLN 46 Cb -0.01 0.38 -0.01 0.00 1.10 0.00 0.00 33.01 34.48 3k9m s GLN 46 CO 0.25 -0.09 0.59 0.08 -0.55 0.00 0.00 175.29 175.56 3k9m s VAL 47 N 0.38 4.96 0.00 1.34 1.01 -1.26 -2.44 120.40 124.39 3k9m s VAL 47 Ca -0.00 0.69 0.00 0.00 0.00 0.00 0.00 61.98 62.67 3k9m s VAL 47 Cb -0.05 -3.98 0.00 0.00 0.00 0.00 0.00 36.38 32.35 3k9m s VAL 47 CO 0.01 -0.16 0.00 1.33 0.00 0.00 0.00 175.10 176.28 3k9m n VAL 48 N 5.41 0.00 -0.67 2.92 0.24 -1.26 -4.80 118.33 120.16 3k9m n VAL 48 Ca -0.02 0.00 -0.18 0.00 -2.04 0.00 0.00 64.34 62.10 3k9m n VAL 48 Cb 0.49 0.00 -0.03 0.00 -1.47 0.00 0.00 33.84 32.82 3k9m n VAL 48 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3k9m n ALA 49 N -3.00 4.43 0.00 2.33 0.00 -1.26 -4.51 120.51 118.50 3k9m n ALA 49 Ca 0.00 -1.70 0.00 0.00 0.00 0.00 0.00 53.44 51.74 3k9m n ALA 49 Cb 0.00 -2.81 0.00 0.00 0.00 0.00 0.00 19.45 16.64 3k9m n ALA 49 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3k9m n GLY 50 N 3.52 0.25 3.34 0.00 0.00 -1.26 -4.81 105.19 106.23 3k9m n GLY 50 Ca 0.38 -1.81 -0.33 0.00 0.00 0.00 0.00 46.02 44.26 3k9m n GLY 50 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3k9m s THR 51 N -1.38 2.81 0.04 2.61 2.01 -0.77 -4.63 115.64 116.34 3k9m s THR 51 Ca 0.00 -0.75 -0.22 0.00 0.31 0.00 0.00 61.69 61.03 3k9m s THR 51 Cb 0.00 -2.15 -0.06 0.00 0.01 0.00 0.00 72.50 70.30 3k9m s THR 51 CO 0.00 0.54 0.66 0.20 -0.69 0.00 0.00 174.62 175.32 3k9m s ASN 52 N 0.26 7.10 -0.21 3.53 0.01 -1.02 -0.91 114.94 123.69 3k9m s ASN 52 Ca -0.11 1.31 -0.07 0.00 -0.71 0.00 0.00 52.86 53.28 3k9m s ASN 52 Cb -0.16 -2.41 -0.03 0.00 0.41 0.00 0.00 41.25 39.06 3k9m s ASN 52 CO 0.06 0.12 0.05 -0.31 -1.51 0.00 0.00 177.10 175.51 3k9m s TYR 53 N -0.42 3.13 -1.00 2.20 2.02 0.15 -2.45 117.35 120.98 3k9m s TYR 53 Ca 0.33 -0.22 -0.10 0.00 -0.37 0.00 0.00 57.07 56.70 3k9m s TYR 53 Cb -0.20 -2.14 0.25 0.00 -0.40 0.00 0.00 41.96 39.48 3k9m s TYR 53 CO 0.20 -0.13 0.97 0.71 -1.57 0.00 0.00 175.55 175.73 3k9m s TYR 54 N 1.00 4.07 0.09 2.71 1.51 0.31 -0.59 117.35 126.45 3k9m s TYR 54 Ca 0.03 -2.48 -0.16 0.00 -1.01 0.00 0.00 57.07 53.46 3k9m s TYR 54 Cb -0.14 -3.79 -0.07 0.00 -0.11 0.00 0.00 41.96 37.85 3k9m s TYR 54 CO 0.03 -0.95 0.52 0.42 -1.11 0.00 0.00 175.55 174.46 3k9m s ILE 55 N -0.77 4.86 -0.50 2.71 -1.09 0.07 -2.27 121.20 124.21 3k9m s ILE 55 Ca 0.26 0.96 -0.14 0.00 -2.23 0.00 0.00 60.65 59.50 3k9m s ILE 55 Cb -0.10 -3.79 0.11 0.00 -1.58 0.00 0.00 42.46 37.10 3k9m s ILE 55 CO -0.08 0.42 0.42 -0.75 -1.23 0.00 0.00 174.94 173.72 3k9m s LYS 56 N -1.48 2.86 0.12 2.79 2.47 -0.01 -0.54 119.74 125.95 3k9m s LYS 56 Ca 0.32 -1.60 0.02 0.00 -1.56 0.00 0.00 55.97 53.15 3k9m s LYS 56 Cb -0.17 -4.14 -0.04 0.00 -1.46 0.00 0.00 37.83 32.03 3k9m s LYS 56 CO 0.18 -1.19 0.23 0.14 0.16 0.00 0.00 175.35 174.88 3k9m s VAL 57 N 1.55 5.22 -0.13 4.02 -7.23 0.22 -0.56 120.40 123.49 3k9m s VAL 57 Ca 0.04 -0.63 -0.11 0.00 -1.81 0.00 0.00 61.98 59.46 3k9m s VAL 57 Cb -0.27 -3.63 -0.05 0.00 0.56 0.00 0.00 36.38 32.99 3k9m s VAL 57 CO 0.03 -0.01 0.24 -0.60 -0.31 0.00 0.00 175.10 174.46 3k9m s ARG 58 N -2.94 3.96 0.00 4.82 3.00 0.38 0.97 118.95 129.14 3k9m s ARG 58 Ca 0.34 0.03 0.00 0.00 -1.00 0.00 0.00 55.73 55.11 3k9m s ARG 58 Cb -0.12 -3.32 0.00 0.00 0.00 0.00 0.00 34.95 31.51 3k9m s ARG 58 CO 0.27 0.48 0.00 0.00 0.00 0.00 0.00 175.30 176.05 3k9m n ALA 59 N 2.82 0.00 -0.39 6.12 0.00 -1.25 -2.74 120.51 125.07 3k9m n ALA 59 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.29 3k9m n ALA 59 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 3k9m n ALA 59 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3k9m n GLY 60 N 4.93 -0.25 0.00 0.00 0.00 -1.26 -4.96 105.19 103.65 3k9m n GLY 60 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3k9m n GLY 60 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3k9m n ASP 61 N -1.93 0.00 -3.74 1.61 10.43 -1.26 -4.93 116.55 116.73 3k9m n ASP 61 Ca 0.00 0.00 -0.35 0.00 2.57 0.00 0.00 54.79 57.01 3k9m n ASP 61 Cb 0.00 0.00 -0.03 0.00 1.84 0.00 0.00 41.12 42.93 3k9m n ASP 61 CO 0.00 0.00 0.00 0.59 -1.07 0.00 0.00 177.20 176.72 3k9m n ASN 62 N 0.00 5.12 -3.71 -2.24 3.02 -1.26 -4.93 115.26 111.26 3k9m n ASN 62 Ca 0.00 -3.42 -0.12 0.00 -0.03 0.00 0.00 54.58 51.01 3k9m n ASN 62 Cb 0.00 -0.98 -0.10 0.00 -0.61 0.00 0.00 39.78 38.09 3k9m n ASN 62 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 3k9m s LYS 63 N -2.61 0.46 0.63 3.52 2.47 -1.26 -4.64 119.74 118.32 3k9m s LYS 63 Ca 0.35 0.71 0.02 0.00 -1.56 0.00 0.00 55.97 55.50 3k9m s LYS 63 Cb 0.09 0.12 0.09 0.00 -1.46 0.00 0.00 37.83 36.67 3k9m s LYS 63 CO 0.04 -0.11 0.87 0.71 0.16 0.00 0.00 175.35 177.03 3k9m s TYR 64 N 0.82 1.92 0.01 4.03 2.02 -1.15 -3.89 117.35 121.11 3k9m s TYR 64 Ca -0.05 -0.32 0.00 0.00 -0.37 0.00 0.00 57.07 56.33 3k9m s TYR 64 Cb -0.06 -2.73 -0.01 0.00 -0.40 0.00 0.00 41.96 38.76 3k9m s TYR 64 CO -0.06 -1.32 -0.02 1.41 -1.57 0.00 0.00 175.55 174.00 3k9m s MET 65 N -4.90 0.15 -0.01 -0.62 -2.45 0.27 -2.41 119.30 109.33 3k9m s MET 65 Ca 0.63 -0.28 0.01 0.00 -1.25 0.00 0.00 55.69 54.79 3k9m s MET 65 Cb -0.07 0.04 -0.04 0.00 1.25 0.00 0.00 34.83 36.01 3k9m s MET 65 CO 0.41 -0.02 0.02 -1.01 1.05 0.00 0.00 175.02 175.47 3k9m s HIS 66 N -0.67 3.13 -0.08 4.11 3.76 -1.20 0.72 115.29 125.07 3k9m s HIS 66 Ca -0.07 0.12 -0.03 0.00 -0.15 0.00 0.00 55.06 54.93 3k9m s HIS 66 Cb -0.05 -1.70 0.05 0.00 1.11 0.00 0.00 32.58 31.99 3k9m s HIS 66 CO -0.00 0.48 0.16 -0.51 -0.85 0.00 0.00 174.74 174.02 3k9m s LEU 67 N -1.52 0.02 -0.36 0.89 1.43 0.30 -1.35 118.68 118.07 3k9m s LEU 67 Ca 0.20 0.34 -0.19 0.00 -1.03 0.00 0.00 54.13 53.44 3k9m s LEU 67 Cb -0.12 0.29 0.00 0.00 0.03 0.00 0.00 46.19 46.40 3k9m s LEU 67 CO 0.10 -0.23 0.54 -0.75 0.23 0.00 0.00 176.35 176.24 3k9m s LYS 68 N 2.16 3.56 -0.15 1.70 2.20 -0.09 -0.75 119.74 128.37 3k9m s LYS 68 Ca 0.02 -0.19 0.02 0.00 -0.36 0.00 0.00 55.97 55.46 3k9m s LYS 68 Cb -0.12 -3.83 0.01 0.00 -1.51 0.00 0.00 37.83 32.38 3k9m s LYS 68 CO -0.06 -0.71 -0.21 0.08 -0.36 0.00 0.00 175.35 174.10 3k9m s VAL 69 N 2.47 2.11 0.26 4.02 1.01 0.24 -2.15 120.40 128.36 3k9m s VAL 69 Ca 0.19 -0.95 -0.30 0.00 0.00 0.00 0.00 61.98 60.93 3k9m s VAL 69 Cb -0.15 -1.86 -0.09 0.00 0.00 0.00 0.00 36.38 34.28 3k9m s VAL 69 CO 0.14 0.54 1.05 0.12 0.00 0.00 0.00 175.10 176.96 3k9m s PHE 70 N 0.97 3.70 -0.12 5.22 5.36 -1.07 0.31 117.98 132.35 3k9m s PHE 70 Ca -0.03 1.76 0.00 0.00 -0.96 0.00 0.00 56.93 57.70 3k9m s PHE 70 Cb -0.15 -3.20 0.02 0.00 -0.34 0.00 0.00 43.02 39.36 3k9m s PHE 70 CO -0.05 -0.26 -0.11 0.21 -1.46 0.00 0.00 175.22 173.55 3k9m s LYS 71 N -1.32 1.84 1.39 10.12 2.36 -0.09 -2.51 119.74 131.54 3k9m s LYS 71 Ca 0.44 -0.39 -0.22 0.00 -2.55 0.00 0.00 55.97 53.25 3k9m s LYS 71 Cb -0.30 -1.76 0.35 0.00 -1.05 0.00 0.00 37.83 35.07 3k9m s LYS 71 CO 0.38 -0.21 0.83 0.45 1.55 0.00 0.00 175.35 178.35 3k9m n SER 72 N 4.72 -3.69 -4.65 1.43 2.88 -1.26 -1.84 113.62 111.21 3k9m n SER 72 Ca -0.15 -0.71 -0.33 0.00 -1.33 0.00 0.00 58.87 56.35 3k9m n SER 72 Cb 0.50 -1.02 -0.10 0.00 -0.75 0.00 0.00 64.21 62.84 3k9m n SER 72 CO 0.00 0.00 0.00 -0.22 -1.23 0.00 0.00 175.04 173.59 3k9m s LEU 73 N -6.98 3.38 0.27 2.46 2.96 -1.24 -4.53 118.68 114.99 3k9m s LEU 73 Ca 0.64 -0.02 0.02 0.00 -0.22 0.00 0.00 54.13 54.55 3k9m s LEU 73 Cb -0.14 -1.89 0.66 0.00 0.50 0.00 0.00 46.19 45.33 3k9m s LEU 73 CO 0.56 0.31 1.34 -2.65 -1.32 0.00 0.00 176.35 174.59 3k9m n PRO 74 N 1.67 -0.07 0.00 0.98 -0.01 -1.26 -1.98 135.00 134.33 3k9m n PRO 74 Ca -0.16 1.28 0.00 0.00 -0.01 0.00 0.00 63.50 64.61 3k9m n PRO 74 Cb 0.53 -2.04 0.00 0.00 -0.01 0.00 0.00 33.50 31.98 3k9m n PRO 74 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 175.50 175.90 3k9m n GLY 75 N -1.43 -2.99 0.29 -1.23 0.00 -1.26 -2.54 105.19 96.03 3k9m n GLY 75 Ca 0.20 0.40 -0.03 0.00 0.00 0.00 0.00 46.02 46.59 3k9m n GLY 75 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3k9m h GLN 76 N 0.00 -0.09 0.00 1.61 4.15 -1.81 -3.48 115.11 115.48 3k9m h GLN 76 Ca 0.00 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.43 3k9m h GLN 76 Cb 0.00 0.02 0.00 0.00 0.21 0.00 0.00 27.48 27.71 3k9m h GLN 76 CO 0.00 -0.06 0.00 -1.71 -1.93 0.00 0.00 178.83 175.13 3k9m n ASN 77 N -5.43 0.00 -4.41 -0.69 5.15 -0.95 -5.04 115.26 103.89 3k9m n ASN 77 Ca 0.05 0.00 -0.44 0.00 -0.60 0.00 0.00 54.58 53.59 3k9m n ASN 77 Cb 0.34 0.00 -0.04 0.00 -0.53 0.00 0.00 39.78 39.55 3k9m n ASN 77 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 3k9m s GLU 78 N -1.66 3.10 0.00 1.20 0.41 -1.26 -3.68 118.70 116.80 3k9m s GLU 78 Ca 0.00 -1.13 0.00 0.00 -0.41 0.00 0.00 54.97 53.43 3k9m s GLU 78 Cb 0.00 -4.27 0.00 0.00 -1.78 0.00 0.00 34.13 28.08 3k9m s GLU 78 CO 0.00 -1.67 0.00 -0.25 -0.49 0.00 0.00 175.26 172.85 3k9m n ASP 79 N 6.94 0.00 0.00 -0.19 8.00 -1.26 -4.97 116.55 125.07 3k9m n ASP 79 Ca -0.06 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.44 3k9m n ASP 79 Cb 0.44 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.54 3k9m n ASP 79 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3k9m n LEU 80 N 0.00 0.00 -3.65 0.64 4.32 -1.23 -4.54 117.00 112.54 3k9m n LEU 80 Ca 0.00 0.00 0.01 0.00 -0.02 0.00 0.00 56.01 56.00 3k9m n LEU 80 Cb 0.00 0.00 -0.06 0.00 -1.62 0.00 0.00 43.42 41.74 3k9m n LEU 80 CO 0.00 0.00 0.93 0.54 -1.22 0.00 0.00 177.39 177.64 3k9m s VAL 81 N -1.43 0.00 0.10 4.08 0.11 -1.04 -4.98 120.40 117.24 3k9m s VAL 81 Ca 0.00 0.00 -0.31 0.00 -2.93 0.00 0.00 61.98 58.74 3k9m s VAL 81 Cb 0.00 -1.00 -0.10 0.00 -1.53 0.00 0.00 36.38 33.75 3k9m s VAL 81 CO 0.00 0.00 1.88 -0.22 -3.33 0.00 0.00 175.10 173.43 3k9m s LEU 82 N 1.03 4.41 -0.00 2.54 2.96 -1.26 -2.59 118.68 125.76 3k9m s LEU 82 Ca -0.07 2.74 0.11 0.00 -0.22 0.00 0.00 54.13 56.68 3k9m s LEU 82 Cb -0.03 -3.55 -0.13 0.00 0.50 0.00 0.00 46.19 42.98 3k9m s LEU 82 CO -0.11 -1.02 0.38 0.35 -1.32 0.00 0.00 176.35 174.63 3k9m n THR 83 N 5.01 0.00 0.00 3.68 -2.24 -0.91 -4.97 114.28 114.84 3k9m n THR 83 Ca 0.18 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.71 3k9m n THR 83 Cb 0.39 0.77 0.00 0.00 -2.10 0.00 0.00 70.33 69.39 3k9m n THR 83 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3k9m n GLY 84 N 1.44 1.31 0.04 3.38 0.00 -1.23 -5.03 105.19 105.09 3k9m n GLY 84 Ca 0.01 0.44 -0.00 0.00 0.00 0.00 0.00 46.02 46.47 3k9m n GLY 84 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 3k9m n TYR 85 N 0.00 -2.69 -2.71 1.61 0.18 -1.26 -0.91 117.16 111.38 3k9m n TYR 85 Ca 0.00 -0.02 -0.07 0.00 1.88 0.00 0.00 57.90 59.69 3k9m n TYR 85 Cb 0.00 -0.01 0.10 0.00 -0.38 0.00 0.00 39.34 39.05 3k9m n TYR 85 CO 0.00 0.00 0.00 0.94 -2.08 0.00 0.00 176.86 175.72 3k9m n GLN 86 N -0.91 0.72 -1.22 -3.48 7.27 -0.46 -4.88 117.38 114.42 3k9m n GLN 86 Ca 0.00 -1.52 -0.34 0.00 0.07 0.00 0.00 57.00 55.22 3k9m n GLN 86 Cb 0.01 -0.73 0.11 0.00 2.41 0.00 0.00 30.24 32.04 3k9m n GLN 86 CO 0.00 0.00 0.00 0.08 0.07 0.00 0.00 177.06 177.21 3k9m s VAL 87 N 0.19 2.18 -0.88 1.69 1.01 -1.26 -3.20 120.40 120.13 3k9m s VAL 87 Ca 0.21 0.08 -0.04 0.00 0.00 0.00 0.00 61.98 62.23 3k9m s VAL 87 Cb 0.29 -2.54 -0.05 0.00 0.00 0.00 0.00 36.38 34.09 3k9m s VAL 87 CO -0.10 -0.06 0.78 0.47 0.00 0.00 0.00 175.10 176.19 3k9m n ASP 88 N -3.13 -6.37 -4.67 3.32 9.92 -1.26 -4.99 116.55 109.36 3k9m n ASP 88 Ca 0.13 -0.52 -0.27 0.00 -0.53 0.00 0.00 54.79 53.60 3k9m n ASP 88 Cb 0.50 -4.75 -0.09 0.00 -0.64 0.00 0.00 41.12 36.15 3k9m n ASP 88 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 3k9m s LYS 89 N -3.99 2.07 0.55 -1.24 -0.14 -1.01 -5.08 119.74 110.91 3k9m s LYS 89 Ca 0.33 -2.04 -0.07 0.00 -1.36 0.00 0.00 55.97 52.82 3k9m s LYS 89 Cb -0.04 -1.75 -0.02 0.00 -1.68 0.00 0.00 37.83 34.33 3k9m s LYS 89 CO 0.66 -0.11 0.88 1.21 -0.76 0.00 0.00 175.35 177.24 3k9m s ASN 90 N -3.80 6.01 0.19 2.83 2.47 -1.26 -2.93 114.94 118.45 3k9m s ASN 90 Ca 0.35 0.97 -0.12 0.00 0.42 0.00 0.00 52.86 54.48 3k9m s ASN 90 Cb 0.07 -2.11 0.17 0.00 -1.45 0.00 0.00 41.25 37.93 3k9m s ASN 90 CO 0.18 -0.82 1.80 0.50 -3.72 0.00 0.00 177.10 175.04 3k9m h LYS 91 N -0.04 0.56 -2.53 0.43 3.64 -1.89 -3.29 116.57 113.46 3k9m h LYS 91 Ca -0.46 -0.03 -0.60 0.00 -1.27 0.00 0.00 60.65 58.29 3k9m h LYS 91 Cb 1.22 -0.13 -0.41 0.00 -0.41 0.00 0.00 32.23 32.50 3k9m h LYS 91 CO 0.62 0.37 -0.71 -0.25 -2.27 0.00 0.00 179.45 177.21 3k9m n ASP 92 N -4.84 2.36 -4.71 4.20 9.92 -1.26 -4.77 116.55 117.45 3k9m n ASP 92 Ca 0.06 -3.10 -0.31 0.00 -0.53 0.00 0.00 54.79 50.92 3k9m n ASP 92 Cb 0.14 -0.68 -0.08 0.00 -0.64 0.00 0.00 41.12 39.86 3k9m n ASP 92 CO 0.00 0.00 0.00 -1.81 0.13 0.00 0.00 177.20 175.52 3k9m s ASP 93 N -1.54 5.19 0.46 -2.24 1.01 -1.26 -5.11 116.67 113.18 3k9m s ASP 93 Ca 0.33 -0.10 -0.22 0.00 0.71 0.00 0.00 52.55 53.26 3k9m s ASP 93 Cb 0.06 -1.30 -0.07 0.00 1.01 0.00 0.00 42.92 42.61 3k9m s ASP 93 CO -0.11 0.19 1.14 -1.61 0.21 0.00 0.00 175.17 174.99 3k9m s GLU 94 N -2.19 3.76 0.03 8.23 2.02 -1.26 -4.99 118.70 124.31 3k9m s GLU 94 Ca 0.26 1.69 -0.30 0.00 0.02 0.00 0.00 54.97 56.63 3k9m s GLU 94 Cb -0.12 -2.35 -0.05 0.00 0.10 0.00 0.00 34.13 31.71 3k9m s GLU 94 CO 0.18 -0.53 1.26 -0.51 0.02 0.00 0.00 175.26 175.68 3k9m s LEU 95 N -3.10 4.34 -0.00 1.80 1.43 -1.26 -5.01 118.68 116.87 3k9m s LEU 95 Ca 0.64 2.03 0.04 0.00 -1.03 0.00 0.00 54.13 55.81 3k9m s LEU 95 Cb -0.26 -3.57 -0.01 0.00 0.03 0.00 0.00 46.19 42.37 3k9m s LEU 95 CO 0.32 -0.56 -0.13 0.42 0.23 0.00 0.00 176.35 176.62 3k9m s THR 96 N 1.53 1.05 0.00 5.49 -4.23 -1.26 -5.05 115.64 113.17 3k9m s THR 96 Ca 0.60 -0.61 -0.34 0.00 -1.18 0.00 0.00 61.69 60.16 3k9m s THR 96 Cb -0.30 -0.88 -0.12 0.00 1.34 0.00 0.00 72.50 72.54 3k9m s THR 96 CO 0.27 0.26 1.81 0.61 -0.54 0.00 0.00 174.62 177.03 3k9m n GLY 97 N 2.66 1.43 0.00 3.99 0.00 -1.26 -5.11 105.19 106.89 3k9m n GLY 97 Ca -0.14 0.79 0.00 0.00 0.00 0.00 0.00 46.02 46.67 3k9m n GLY 97 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29