#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1oz9 s ASN 9 N 0.00 3.14 -0.34 4.39 0.01 -1.26 -0.91 114.94 119.97 1oz9 s ASN 9 Ca 0.00 -1.15 -0.02 0.00 -0.71 0.00 0.00 52.86 50.98 1oz9 s ASN 9 Cb 0.00 -0.24 0.07 0.00 0.41 0.00 0.00 41.25 41.49 1oz9 s ASN 9 CO 0.00 -0.23 0.07 -0.60 -1.51 0.00 0.00 177.10 174.83 1oz9 s ARG 10 N -3.65 2.28 -0.26 -0.60 3.52 0.01 -4.96 118.95 115.29 1oz9 s ARG 10 Ca 0.30 -1.45 -0.09 0.00 -0.13 0.00 0.00 55.73 54.35 1oz9 s ARG 10 Cb 0.02 -3.32 -0.04 0.00 -1.56 0.00 0.00 34.95 30.04 1oz9 s ARG 10 CO 0.13 -0.77 0.14 0.08 -0.81 0.00 0.00 175.30 174.07 1oz9 s VAL 11 N 1.22 4.96 -0.32 7.11 1.01 -1.26 -1.11 120.40 132.01 1oz9 s VAL 11 Ca -0.00 0.05 -0.06 0.00 0.00 0.00 0.00 61.98 61.97 1oz9 s VAL 11 Cb -0.21 -3.34 0.03 0.00 0.00 0.00 0.00 36.38 32.87 1oz9 s VAL 11 CO -0.02 0.31 0.08 -0.76 0.00 0.00 0.00 175.10 174.71 1oz9 s LEU 12 N 1.50 4.12 -0.16 3.92 1.43 0.11 -4.98 118.68 124.61 1oz9 s LEU 12 Ca 0.07 -1.03 -0.05 0.00 -1.03 0.00 0.00 54.13 52.09 1oz9 s LEU 12 Cb -0.15 -1.85 -0.03 0.00 0.03 0.00 0.00 46.19 44.19 1oz9 s LEU 12 CO 0.07 -0.28 0.01 -0.69 0.23 0.00 0.00 176.35 175.69 1oz9 s VAL 13 N 1.41 4.28 -0.10 -1.59 1.01 -1.26 -0.59 120.40 123.57 1oz9 s VAL 13 Ca -0.01 -0.22 0.03 0.00 0.00 0.00 0.00 61.98 61.78 1oz9 s VAL 13 Cb -0.19 -2.89 0.01 0.00 0.00 0.00 0.00 36.38 33.31 1oz9 s VAL 13 CO 0.02 0.49 -0.18 -0.54 0.00 0.00 0.00 175.10 174.90 1oz9 s LYS 14 N 0.25 2.40 -0.20 2.72 1.02 0.51 -4.96 119.74 121.48 1oz9 s LYS 14 Ca 0.00 -0.64 0.00 0.00 0.02 0.00 0.00 55.97 55.35 1oz9 s LYS 14 Cb -0.13 -1.94 0.02 0.00 -0.52 0.00 0.00 37.83 35.26 1oz9 s LYS 14 CO 0.02 0.03 -0.15 -0.51 -0.92 0.00 0.00 175.35 173.82 1oz9 s LEU 15 N 0.71 2.49 -0.10 3.17 1.43 -1.26 -1.35 118.68 123.76 1oz9 s LEU 15 Ca -0.12 -0.69 0.01 0.00 -1.03 0.00 0.00 54.13 52.30 1oz9 s LEU 15 Cb -0.16 -1.55 -0.25 0.00 0.03 0.00 0.00 46.19 44.26 1oz9 s LEU 15 CO 0.03 -0.03 0.45 1.17 0.23 0.00 0.00 176.35 178.20 1oz9 n LYS 16 N 4.64 0.71 -4.51 1.70 4.81 0.04 -4.86 118.16 120.68 1oz9 n LYS 16 Ca -0.19 0.27 -0.34 0.00 -0.87 0.00 0.00 58.31 57.17 1oz9 n LYS 16 Cb 0.49 -1.73 -0.12 0.00 0.02 0.00 0.00 35.03 33.69 1oz9 n LYS 16 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 1oz9 s LYS 17 N -2.57 3.21 -0.12 1.64 -0.14 -0.80 -4.99 119.74 115.98 1oz9 s LYS 17 Ca -0.16 -0.53 0.14 0.00 -1.36 0.00 0.00 55.97 54.07 1oz9 s LYS 17 Cb 0.07 -2.76 0.30 0.00 -1.68 0.00 0.00 37.83 33.76 1oz9 s LYS 17 CO 0.79 0.46 1.15 0.54 -0.76 0.00 0.00 175.35 177.53 1oz9 n ARG 18 N 2.84 1.00 0.20 1.68 1.74 -1.26 -4.77 116.66 118.10 1oz9 n ARG 18 Ca -0.18 -2.47 0.06 0.00 -0.77 0.00 0.00 57.85 54.50 1oz9 n ARG 18 Cb 0.53 -1.18 0.43 0.00 -1.02 0.00 0.00 32.46 31.21 1oz9 n ARG 18 CO 0.00 0.00 0.00 -0.22 -1.52 0.00 0.00 177.63 175.89 1oz9 h LYS 19 N 0.43 0.00 -5.32 5.56 3.64 -2.00 -3.41 116.57 115.46 1oz9 h LYS 19 Ca -0.03 0.00 -0.62 0.00 -1.27 0.00 0.00 60.65 58.73 1oz9 h LYS 19 Cb 1.18 0.00 -0.16 0.00 -0.41 0.00 0.00 32.23 32.84 1oz9 h LYS 19 CO 0.01 0.32 -0.57 0.08 -2.27 0.00 0.00 179.45 177.02 1oz9 s VAL 20 N -3.92 4.70 0.28 2.00 1.01 -1.26 -5.07 120.40 118.15 1oz9 s VAL 20 Ca -0.01 -0.07 -0.30 0.00 0.00 0.00 0.00 61.98 61.60 1oz9 s VAL 20 Cb 0.13 -3.11 -0.13 0.00 0.00 0.00 0.00 36.38 33.27 1oz9 s VAL 20 CO 0.68 0.47 1.33 0.54 0.00 0.00 0.00 175.10 178.12 1oz9 n ARG 21 N 3.44 2.02 -0.26 2.72 1.74 -1.26 -4.91 116.66 120.15 1oz9 n ARG 21 Ca -0.17 0.71 -0.04 0.00 -0.77 0.00 0.00 57.85 57.59 1oz9 n ARG 21 Cb 0.52 -2.32 0.07 0.00 -1.02 0.00 0.00 32.46 29.71 1oz9 n ARG 21 CO 0.00 0.00 0.00 -0.22 -1.52 0.00 0.00 177.63 175.89 1oz9 h LYS 22 N 3.43 0.91 0.00 5.56 3.64 -1.97 -2.20 116.57 125.94 1oz9 h LYS 22 Ca -0.45 -0.05 -0.05 0.00 -1.27 0.00 0.00 60.65 58.82 1oz9 h LYS 22 Cb 1.28 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 32.89 1oz9 h LYS 22 CO 0.70 0.60 -0.25 0.38 -2.27 0.00 0.00 179.45 178.61 1oz9 h ASP 23 N 0.94 0.00 -0.17 4.20 2.03 -1.99 -0.56 116.42 120.86 1oz9 h ASP 23 Ca 0.28 0.00 -0.14 0.00 -0.73 0.00 0.00 57.03 56.44 1oz9 h ASP 23 Cb -0.04 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.46 1oz9 h ASP 23 CO -0.09 0.25 -0.45 0.11 -1.03 0.00 0.00 179.24 178.03 1oz9 h LYS 24 N 0.00 0.62 -0.58 4.15 1.57 -1.78 -1.21 116.57 119.34 1oz9 h LYS 24 Ca -0.00 -0.43 -0.03 0.00 -1.87 0.00 0.00 60.65 58.32 1oz9 h LYS 24 Cb 0.50 0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.85 1oz9 h LYS 24 CO 0.03 1.05 0.25 0.82 -0.57 0.00 0.00 179.45 181.04 1oz9 h ILE 25 N 0.29 1.22 -0.23 1.86 2.04 -1.22 -0.72 117.51 120.75 1oz9 h ILE 25 Ca -0.01 -0.65 -0.00 0.00 1.00 0.00 0.00 64.86 65.20 1oz9 h ILE 25 Cb 1.07 0.57 -0.01 0.00 -0.74 0.00 0.00 36.82 37.71 1oz9 h ILE 25 CO 0.10 0.26 0.14 -0.08 0.00 0.00 0.00 178.15 178.56 1oz9 h GLU 26 N 0.79 0.31 -0.18 2.37 4.81 -1.04 -1.63 114.58 120.02 1oz9 h GLU 26 Ca 0.20 -0.03 0.01 0.00 -0.13 0.00 0.00 59.36 59.41 1oz9 h GLU 26 Cb 0.16 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.46 1oz9 h GLU 26 CO -0.02 0.26 0.08 -0.22 -0.73 0.00 0.00 179.01 178.38 1oz9 h LYS 27 N 0.28 0.18 -0.48 1.92 3.64 -1.01 0.70 116.57 121.80 1oz9 h LYS 27 Ca 0.08 -0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.50 1oz9 h LYS 27 Cb 0.03 -0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 31.76 1oz9 h LYS 27 CO -0.01 0.12 0.22 -1.49 -2.27 0.00 0.00 179.45 176.01 1oz9 h TRP 28 N 0.18 0.40 -0.42 1.91 6.55 -1.03 0.22 115.95 123.76 1oz9 h TRP 28 Ca 0.07 0.02 -0.02 0.00 0.95 0.00 0.00 58.89 59.91 1oz9 h TRP 28 Cb 0.02 -0.11 -0.02 0.00 -0.86 0.00 0.00 29.16 28.19 1oz9 h TRP 28 CO -0.09 0.18 0.19 0.00 -1.05 0.00 0.00 178.44 177.67 1oz9 h ALA 29 N 1.28 0.54 -0.72 1.49 0.00 -1.06 0.23 119.26 121.02 1oz9 h ALA 29 Ca 0.22 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 1oz9 h ALA 29 Cb 0.16 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 1oz9 h ALA 29 CO -0.17 0.12 0.22 0.93 0.00 0.00 0.00 179.25 180.34 1oz9 h GLU 30 N 0.54 1.13 -0.60 0.00 5.08 -0.42 -1.13 114.58 119.18 1oz9 h GLU 30 Ca 0.14 -0.25 -0.09 0.00 -1.00 0.00 0.00 59.36 58.16 1oz9 h GLU 30 Cb 0.14 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.21 1oz9 h GLU 30 CO -0.02 0.97 0.01 -0.07 -1.00 0.00 0.00 179.01 178.90 1oz9 h LEU 31 N 1.07 1.02 -0.31 1.33 3.38 -0.34 -0.71 115.31 120.75 1oz9 h LEU 31 Ca 0.23 -0.28 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 1oz9 h LEU 31 Cb 0.32 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 1oz9 h LEU 31 CO -0.01 1.06 0.12 0.00 0.09 0.00 0.00 178.44 179.71 1oz9 h ALA 32 N 1.04 0.40 -0.86 1.53 0.00 -0.69 0.06 119.26 120.74 1oz9 h ALA 32 Ca 0.17 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1oz9 h ALA 32 Cb 0.54 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.17 1oz9 h ALA 32 CO 0.03 -0.00 0.54 -0.07 0.00 0.00 0.00 179.25 179.75 1oz9 h LEU 33 N 0.34 1.02 -0.75 0.00 3.38 -1.04 -0.82 115.31 117.45 1oz9 h LEU 33 Ca 0.10 -0.05 -0.10 0.00 0.09 0.00 0.00 57.88 57.92 1oz9 h LEU 33 Cb 0.19 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 1oz9 h LEU 33 CO -0.01 0.77 -0.09 -1.28 0.09 0.00 0.00 178.44 177.92 1oz9 h SER 34 N 1.18 0.85 0.54 -0.43 0.87 -0.97 -1.89 113.55 113.71 1oz9 h SER 34 Ca 0.31 -0.26 -0.06 0.00 -1.23 0.00 0.00 61.79 60.56 1oz9 h SER 34 Cb -0.08 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 61.64 1oz9 h SER 34 CO -0.06 0.97 -0.28 0.00 -0.53 0.00 0.00 176.83 176.92 1oz9 h ALA 35 N 1.11 1.22 -0.00 6.23 0.00 -0.44 -1.50 119.26 125.88 1oz9 h ALA 35 Ca 0.13 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1oz9 h ALA 35 Cb 0.60 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1oz9 h ALA 35 CO 0.04 0.35 -0.05 1.28 0.00 0.00 0.00 179.25 180.87 1oz9 n LEU 36 N -3.74 0.52 -0.30 0.00 4.77 -0.36 -4.92 117.00 112.97 1oz9 n LEU 36 Ca -0.01 -0.08 -0.04 0.00 -0.03 0.00 0.00 56.01 55.85 1oz9 n LEU 36 Cb 0.38 -0.10 -0.02 0.00 -2.33 0.00 0.00 43.42 41.36 1oz9 n LEU 36 CO 0.35 0.09 -0.04 0.61 -1.33 0.00 0.00 177.39 177.08 1oz9 n GLY 37 N 1.18 0.68 3.80 -0.72 0.00 -0.56 -5.01 105.19 104.56 1oz9 n GLY 37 Ca 0.18 -0.64 -0.37 0.00 0.00 0.00 0.00 46.02 45.19 1oz9 n GLY 37 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1oz9 s LEU 38 N -0.88 4.45 0.02 0.99 1.43 -0.76 -5.03 118.68 118.90 1oz9 s LEU 38 Ca 0.00 1.44 0.02 0.00 -1.03 0.00 0.00 54.13 54.56 1oz9 s LEU 38 Cb 0.00 -3.36 -0.01 0.00 0.03 0.00 0.00 46.19 42.85 1oz9 s LEU 38 CO 0.00 0.13 -0.06 0.20 0.23 0.00 0.00 176.35 176.85 1oz9 s ASN 39 N -1.41 0.67 -1.40 2.29 0.01 -1.26 -4.58 114.94 109.27 1oz9 s ASN 39 Ca 0.38 -0.29 -0.09 0.00 -0.71 0.00 0.00 52.86 52.14 1oz9 s ASN 39 Cb -0.19 -0.02 0.03 0.00 0.41 0.00 0.00 41.25 41.49 1oz9 s ASN 39 CO 0.22 -0.06 1.08 0.59 -1.51 0.00 0.00 177.10 177.42 1oz9 n ASN 40 N 2.29 -5.26 -4.49 -1.22 4.13 -0.09 -4.91 115.26 105.72 1oz9 n ASN 40 Ca -0.17 -0.64 -0.24 0.00 1.68 0.00 0.00 54.58 55.21 1oz9 n ASN 40 Cb 0.57 -4.63 -0.10 0.00 -1.54 0.00 0.00 39.78 34.08 1oz9 n ASN 40 CO 0.00 0.00 0.00 0.68 0.28 0.00 0.00 177.26 178.22 1oz9 s VAL 41 N -3.34 2.46 -0.09 2.41 -7.23 -1.26 -2.24 120.40 111.11 1oz9 s VAL 41 Ca 0.53 -2.35 0.01 0.00 -1.81 0.00 0.00 61.98 58.37 1oz9 s VAL 41 Cb -0.25 -2.40 -0.02 0.00 0.56 0.00 0.00 36.38 34.27 1oz9 s VAL 41 CO 0.77 -0.35 -0.11 -0.70 -0.31 0.00 0.00 175.10 174.39 1oz9 s GLU 42 N -3.54 2.97 -0.03 4.82 2.12 -0.15 -0.81 118.70 124.08 1oz9 s GLU 42 Ca 0.31 -0.64 0.01 0.00 0.36 0.00 0.00 54.97 55.01 1oz9 s GLU 42 Cb -0.03 -2.57 0.02 0.00 0.26 0.00 0.00 34.13 31.81 1oz9 s GLU 42 CO 0.16 0.46 -0.04 -1.17 -0.54 0.00 0.00 175.26 174.13 1oz9 s LEU 43 N -0.29 1.41 -0.11 2.70 2.96 -0.27 -0.89 118.68 124.19 1oz9 s LEU 43 Ca 0.03 -0.10 -0.02 0.00 -0.22 0.00 0.00 54.13 53.81 1oz9 s LEU 43 Cb -0.13 -0.37 -0.03 0.00 0.50 0.00 0.00 46.19 46.16 1oz9 s LEU 43 CO 0.03 -0.04 -0.01 -0.44 -1.32 0.00 0.00 176.35 174.56 1oz9 s SER 44 N 0.76 5.09 -0.13 3.68 0.01 -0.55 -0.71 113.70 121.85 1oz9 s SER 44 Ca -0.09 0.05 0.02 0.00 1.31 0.00 0.00 55.95 57.24 1oz9 s SER 44 Cb -0.13 -1.55 0.01 0.00 0.21 0.00 0.00 66.02 64.56 1oz9 s SER 44 CO -0.00 0.31 -0.20 -0.69 0.41 0.00 0.00 173.24 173.06 1oz9 s VAL 45 N -0.46 1.89 -0.13 3.43 1.01 0.24 -0.72 120.40 125.66 1oz9 s VAL 45 Ca 0.08 -0.88 0.02 0.00 0.00 0.00 0.00 61.98 61.19 1oz9 s VAL 45 Cb -0.12 -1.68 0.00 0.00 0.00 0.00 0.00 36.38 34.58 1oz9 s VAL 45 CO 0.02 0.52 -0.19 -0.47 0.00 0.00 0.00 175.10 174.98 1oz9 s TYR 46 N 0.83 2.69 -0.31 5.22 5.04 0.39 -0.36 117.35 130.85 1oz9 s TYR 46 Ca -0.08 -1.09 -0.08 0.00 -2.44 0.00 0.00 57.07 53.37 1oz9 s TYR 46 Cb -0.16 -1.81 0.00 0.00 0.35 0.00 0.00 41.96 40.34 1oz9 s TYR 46 CO -0.01 -0.47 0.12 0.42 -1.34 0.00 0.00 175.55 174.27 1oz9 s ILE 47 N 0.64 4.31 0.00 3.14 -1.09 -0.46 -0.87 121.20 126.87 1oz9 s ILE 47 Ca -0.10 -0.59 0.00 0.00 -2.23 0.00 0.00 60.65 57.73 1oz9 s ILE 47 Cb -0.16 -3.23 0.00 0.00 -1.58 0.00 0.00 42.46 37.49 1oz9 s ILE 47 CO 0.02 0.04 0.00 1.07 -1.23 0.00 0.00 174.94 174.85 1oz9 n THR 48 N 4.93 0.00 -4.39 2.92 5.66 0.37 -0.78 114.28 122.99 1oz9 n THR 48 Ca -0.14 0.00 -0.29 0.00 -3.05 0.00 0.00 64.05 60.57 1oz9 n THR 48 Cb 0.48 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 69.21 1oz9 n THR 48 CO 0.00 0.00 0.00 1.51 -3.05 0.00 0.00 175.07 173.53 1oz9 s ASP 49 N 1.00 4.31 0.30 1.09 1.47 -1.26 -0.76 116.67 122.83 1oz9 s ASP 49 Ca 0.00 -1.43 0.00 0.00 1.18 0.00 0.00 52.55 52.30 1oz9 s ASP 49 Cb 0.00 0.30 0.48 0.00 -0.34 0.00 0.00 42.92 43.35 1oz9 s ASP 49 CO 0.00 -0.87 1.87 0.44 0.68 0.00 0.00 175.17 177.30 1oz9 h ASP 50 N 1.19 0.73 -0.46 2.11 5.19 -1.94 -2.10 116.42 121.14 1oz9 h ASP 50 Ca -0.42 -0.11 -0.05 0.00 -0.62 0.00 0.00 57.03 55.84 1oz9 h ASP 50 Cb 1.30 -0.19 -0.02 0.00 0.18 0.00 0.00 39.33 40.60 1oz9 h ASP 50 CO 0.69 0.68 0.08 1.56 -3.12 0.00 0.00 179.24 179.13 1oz9 h GLN 51 N 0.77 0.77 -0.25 3.56 4.20 -1.99 -0.94 115.11 121.23 1oz9 h GLN 51 Ca 0.18 -0.20 -0.14 0.00 0.06 0.00 0.00 58.65 58.55 1oz9 h GLN 51 Cb 0.21 -0.09 -0.00 0.00 0.30 0.00 0.00 27.48 27.90 1oz9 h GLN 51 CO -0.01 0.78 -0.39 1.49 -0.67 0.00 0.00 178.83 180.02 1oz9 h GLU 52 N 0.63 0.71 0.00 1.46 4.81 -1.92 -2.63 114.58 117.64 1oz9 h GLU 52 Ca 0.14 -0.43 -0.05 0.00 -0.13 0.00 0.00 59.36 58.90 1oz9 h GLU 52 Cb 0.38 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.79 1oz9 h GLU 52 CO 0.01 1.05 -0.23 0.97 -0.73 0.00 0.00 179.01 180.08 1oz9 h ILE 53 N 0.43 0.93 -0.26 2.32 2.10 -1.33 -2.01 117.51 119.69 1oz9 h ILE 53 Ca 0.02 -0.84 -0.05 0.00 1.08 0.00 0.00 64.86 65.07 1oz9 h ILE 53 Cb 0.99 1.49 -0.01 0.00 -1.09 0.00 0.00 36.82 38.19 1oz9 h ILE 53 CO 0.09 0.22 -0.03 -0.09 -1.08 0.00 0.00 178.15 177.26 1oz9 h ARG 54 N 0.00 0.48 -0.80 2.19 2.43 -0.94 0.15 114.38 117.89 1oz9 h ARG 54 Ca -0.00 -0.17 0.03 0.00 -0.81 0.00 0.00 59.98 59.03 1oz9 h ARG 54 Cb 0.47 -0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 29.94 1oz9 h ARG 54 CO 0.03 0.68 0.51 0.93 -1.51 0.00 0.00 179.97 180.61 1oz9 h GLU 55 N 0.24 0.97 -0.34 0.20 5.08 -1.08 0.27 114.58 119.93 1oz9 h GLU 55 Ca 0.07 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 1oz9 h GLU 55 Cb 0.48 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.50 1oz9 h GLU 55 CO 0.02 0.64 0.16 -0.07 -1.00 0.00 0.00 179.01 178.76 1oz9 h LEU 56 N 1.00 0.44 -0.91 1.33 3.38 -0.94 0.20 115.31 119.80 1oz9 h LEU 56 Ca 0.32 -0.13 -0.00 0.00 0.09 0.00 0.00 57.88 58.16 1oz9 h LEU 56 Cb -0.00 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.59 1oz9 h LEU 56 CO -0.11 0.45 0.57 -1.13 0.09 0.00 0.00 178.44 178.31 1oz9 h ASN 57 N 0.40 1.08 -0.03 -0.43 -1.24 -0.23 0.17 115.58 115.30 1oz9 h ASN 57 Ca 0.11 -0.05 -0.01 0.00 0.71 0.00 0.00 56.30 57.06 1oz9 h ASN 57 Cb 0.12 -0.27 -0.00 0.00 0.73 0.00 0.00 38.32 38.90 1oz9 h ASN 57 CO -0.01 0.81 -0.00 0.50 -1.29 0.00 0.00 177.43 177.44 1oz9 h LYS 58 N 1.25 0.06 -0.28 6.67 3.64 -0.67 -0.15 116.57 127.10 1oz9 h LYS 58 Ca 0.33 -0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 59.64 1oz9 h LYS 58 Cb -0.09 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.72 1oz9 h LYS 58 CO -0.07 0.38 -0.02 1.15 -2.27 0.00 0.00 179.45 178.62 1oz9 h THR 59 N -0.26 1.26 0.00 1.00 2.02 -0.65 -2.31 112.91 113.98 1oz9 h THR 59 Ca 0.01 -0.97 0.00 0.00 0.77 0.00 0.00 66.41 66.22 1oz9 h THR 59 Cb 0.35 1.34 0.00 0.00 -1.74 0.00 0.00 68.15 68.10 1oz9 h THR 59 CO 0.00 0.31 -1.24 -1.22 0.37 0.00 0.00 175.52 173.75 1oz9 n TYR 60 N -4.57 0.09 -0.68 3.16 4.02 0.57 -4.48 117.16 115.26 1oz9 n TYR 60 Ca -0.03 0.02 0.00 0.00 -0.01 0.00 0.00 57.90 57.88 1oz9 n TYR 60 Cb 0.27 -0.27 0.00 0.00 -0.02 0.00 0.00 39.34 39.32 1oz9 n TYR 60 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 1oz9 n ARG 61 N -1.83 -0.22 -3.84 -0.72 1.74 -0.15 -5.01 116.66 106.63 1oz9 n ARG 61 Ca 0.01 -0.21 -0.28 0.00 -0.77 0.00 0.00 57.85 56.60 1oz9 n ARG 61 Cb 0.42 -0.66 0.04 0.00 -1.02 0.00 0.00 32.46 31.24 1oz9 n ARG 61 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1oz9 n LYS 62 N -0.01 -5.98 -3.84 5.56 5.02 -0.71 -4.94 118.16 113.25 1oz9 n LYS 62 Ca 0.00 0.64 -0.30 0.00 -2.02 0.00 0.00 58.31 56.64 1oz9 n LYS 62 Cb 0.19 -5.55 -0.15 0.00 -0.02 0.00 0.00 35.03 29.49 1oz9 n LYS 62 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1oz9 s LYS 63 N -6.52 1.08 -1.37 1.97 1.02 -0.79 -4.94 119.74 110.20 1oz9 s LYS 63 Ca 0.61 -1.15 -0.16 0.00 0.02 0.00 0.00 55.97 55.29 1oz9 s LYS 63 Cb -0.30 -2.39 0.04 0.00 -0.52 0.00 0.00 37.83 34.66 1oz9 s LYS 63 CO 0.81 -0.85 2.01 -3.47 -0.92 0.00 0.00 175.35 172.93 1oz9 n ASP 64 N 4.70 4.25 -3.51 2.83 2.03 -1.26 -2.55 116.55 123.04 1oz9 n ASP 64 Ca -0.04 -2.86 -0.08 0.00 0.52 0.00 0.00 54.79 52.32 1oz9 n ASP 64 Cb 0.43 -1.68 -0.02 0.00 -0.72 0.00 0.00 41.12 39.13 1oz9 n ASP 64 CO 0.00 0.00 0.00 -1.59 -1.92 0.00 0.00 177.20 173.69 1oz9 s LYS 65 N 3.76 0.81 0.84 -0.67 -2.85 -1.26 -5.03 119.74 115.35 1oz9 s LYS 65 Ca 0.51 -0.30 -0.12 0.00 -1.00 0.00 0.00 55.97 55.06 1oz9 s LYS 65 Cb 0.10 0.37 0.10 0.00 -2.06 0.00 0.00 37.83 36.33 1oz9 s LYS 65 CO -0.01 -0.36 1.10 -2.14 0.10 0.00 0.00 175.35 174.04 1oz9 s PRO 66 N -3.10 1.69 0.34 1.78 0.02 -1.26 -4.40 135.00 130.08 1oz9 s PRO 66 Ca 0.05 0.68 -0.10 0.00 0.02 0.00 0.00 61.00 61.64 1oz9 s PRO 66 Cb -0.01 -1.87 0.02 0.00 0.02 0.00 0.00 34.50 32.66 1oz9 s PRO 66 CO -0.09 -1.90 0.62 -0.08 -0.33 0.00 0.00 177.00 175.22 1oz9 s THR 67 N -3.08 0.00 -0.07 0.99 -1.32 -1.26 -4.97 115.64 105.93 1oz9 s THR 67 Ca 0.62 -1.30 -0.18 0.00 -1.21 0.00 0.00 61.69 59.62 1oz9 s THR 67 Cb -0.16 -2.63 -0.30 0.00 -1.51 0.00 0.00 72.50 67.90 1oz9 s THR 67 CO 0.55 0.00 0.73 -2.24 -2.21 0.00 0.00 174.62 171.45 1oz9 h ASP 68 N 2.08 0.46 -4.24 8.08 3.04 -1.93 -3.40 116.42 120.51 1oz9 h ASP 68 Ca -0.29 -0.90 -0.14 0.00 -3.24 0.00 0.00 57.03 52.47 1oz9 h ASP 68 Cb 1.25 -0.15 -0.23 0.00 -1.04 0.00 0.00 39.33 39.15 1oz9 h ASP 68 CO 0.38 1.54 -0.32 0.54 -2.04 0.00 0.00 179.24 179.34 1oz9 s VAL 69 N -2.47 0.02 0.03 4.15 0.11 -1.26 -1.52 120.40 119.45 1oz9 s VAL 69 Ca -0.16 -0.17 0.04 0.00 -2.93 0.00 0.00 61.98 58.76 1oz9 s VAL 69 Cb 0.03 -0.51 -0.02 0.00 -1.53 0.00 0.00 36.38 34.35 1oz9 s VAL 69 CO 0.81 -0.09 -0.13 -0.76 -3.33 0.00 0.00 175.10 171.59 1oz9 s LEU 70 N -0.34 2.13 -0.03 2.54 1.43 0.11 -4.99 118.68 119.53 1oz9 s LEU 70 Ca -0.05 -0.39 0.07 0.00 -1.03 0.00 0.00 54.13 52.74 1oz9 s LEU 70 Cb -0.03 -0.59 -0.02 0.00 0.03 0.00 0.00 46.19 45.58 1oz9 s LEU 70 CO 0.02 0.06 -0.26 -0.94 0.23 0.00 0.00 176.35 175.46 1oz9 s SER 71 N -0.91 3.03 -0.29 2.29 1.04 -1.26 -0.74 113.70 116.86 1oz9 s SER 71 Ca 0.02 -0.48 0.01 0.00 0.48 0.00 0.00 55.95 55.98 1oz9 s SER 71 Cb -0.07 -0.46 0.09 0.00 0.10 0.00 0.00 66.02 65.67 1oz9 s SER 71 CO 0.01 0.30 0.04 -0.36 0.98 0.00 0.00 173.24 174.20 1oz9 s PHE 72 N -0.49 2.51 0.37 5.02 0.40 0.69 -4.97 117.98 121.50 1oz9 s PHE 72 Ca 0.06 -2.09 -0.27 0.00 -0.60 0.00 0.00 56.93 54.03 1oz9 s PHE 72 Cb -0.11 -2.01 -0.09 0.00 0.51 0.00 0.00 43.02 41.32 1oz9 s PHE 72 CO 0.00 -0.86 1.22 -1.25 0.70 0.00 0.00 175.22 175.03 1oz9 s PRO 73 N 1.34 4.20 0.00 0.24 0.04 -1.26 -1.16 135.00 138.40 1oz9 s PRO 73 Ca 0.05 1.98 0.00 0.00 0.04 0.00 0.00 61.00 63.07 1oz9 s PRO 73 Cb -0.18 -2.86 0.00 0.00 0.04 0.00 0.00 34.50 31.50 1oz9 s PRO 73 CO -0.14 -0.24 0.00 -1.33 0.04 0.00 0.00 177.00 175.33 1oz9 n MET 74 N 0.42 0.00 0.00 4.56 2.81 -0.87 -4.93 117.12 119.12 1oz9 n MET 74 Ca 0.02 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.91 1oz9 n MET 74 Cb 0.45 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.96 1oz9 n MET 74 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1oz9 n GLY 75 N 4.25 0.60 3.70 3.03 0.00 0.13 -5.01 105.19 111.88 1oz9 n GLY 75 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1oz9 n GLY 75 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1oz9 n GLU 76 N -1.21 1.67 -4.73 1.61 2.13 -1.25 -4.56 120.64 114.30 1oz9 n GLU 76 Ca 0.00 0.61 -0.30 0.00 0.66 0.00 0.00 57.16 58.12 1oz9 n GLU 76 Cb 0.00 -2.40 -0.14 0.00 0.27 0.00 0.00 31.44 29.17 1oz9 n GLU 76 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 1oz9 s GLU 77 N -2.51 1.84 -0.29 5.31 2.02 -1.26 -1.43 118.70 122.38 1oz9 s GLU 77 Ca 0.67 -1.10 -0.00 0.00 0.02 0.00 0.00 54.97 54.56 1oz9 s GLU 77 Cb -0.46 -2.05 0.09 0.00 0.10 0.00 0.00 34.13 31.81 1oz9 s GLU 77 CO 0.53 0.51 0.06 -0.06 0.02 0.00 0.00 175.26 176.33 1oz9 s PHE 78 N -0.89 2.01 -1.23 1.61 0.40 0.36 -4.90 117.98 115.33 1oz9 s PHE 78 Ca 0.13 -1.81 -0.30 0.00 -0.60 0.00 0.00 56.93 54.36 1oz9 s PHE 78 Cb -0.10 -1.78 0.04 0.00 0.51 0.00 0.00 43.02 41.69 1oz9 s PHE 78 CO 0.04 -0.84 0.57 0.41 0.70 0.00 0.00 175.22 176.10 1oz9 n GLY 79 N 4.76 -0.71 1.15 4.36 0.00 -1.26 -1.21 105.19 112.28 1oz9 n GLY 79 Ca -0.04 0.30 0.00 0.00 0.00 0.00 0.00 46.02 46.29 1oz9 n GLY 79 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1oz9 n GLY 80 N -2.15 3.15 3.72 -0.02 0.00 -1.26 -5.01 105.19 103.62 1oz9 n GLY 80 Ca -0.14 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.49 1oz9 n GLY 80 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1oz9 s TYR 81 N -2.30 3.57 -0.06 1.61 5.04 -0.35 -4.89 117.35 119.96 1oz9 s TYR 81 Ca 0.00 1.14 0.03 0.00 -2.44 0.00 0.00 57.07 55.80 1oz9 s TYR 81 Cb 0.00 -2.71 0.00 0.00 0.35 0.00 0.00 41.96 39.61 1oz9 s TYR 81 CO 0.00 0.14 -0.17 0.21 -1.34 0.00 0.00 175.55 174.40 1oz9 s LYS 82 N 0.62 2.02 -0.40 4.97 2.20 -0.95 -0.49 119.74 127.71 1oz9 s LYS 82 Ca 0.33 -0.58 -0.23 0.00 -0.36 0.00 0.00 55.97 55.13 1oz9 s LYS 82 Cb -0.17 -1.65 0.02 0.00 -1.51 0.00 0.00 37.83 34.52 1oz9 s LYS 82 CO 0.16 0.14 0.78 0.42 -0.36 0.00 0.00 175.35 176.49 1oz9 s ILE 83 N 0.36 4.70 0.00 5.43 1.01 -0.52 -0.98 121.20 131.21 1oz9 s ILE 83 Ca -0.12 0.72 -0.20 0.00 0.00 0.00 0.00 60.65 61.05 1oz9 s ILE 83 Cb -0.15 -4.25 -0.23 0.00 0.01 0.00 0.00 42.46 37.85 1oz9 s ILE 83 CO 0.04 -0.54 1.11 -0.07 0.00 0.00 0.00 174.94 175.48 1oz9 h LEU 84 N 9.89 0.50 0.00 2.97 3.38 -1.34 0.37 115.31 131.08 1oz9 h LEU 84 Ca -0.25 -0.75 0.00 0.00 0.09 0.00 0.00 57.88 56.98 1oz9 h LEU 84 Cb 1.09 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.69 1oz9 h LEU 84 CO 0.93 1.18 0.00 0.61 0.09 0.00 0.00 178.44 181.25 1oz9 n GLY 85 N 1.02 0.79 3.47 0.83 0.00 -1.23 -2.05 105.19 108.02 1oz9 n GLY 85 Ca -0.10 -1.86 -0.30 0.00 0.00 0.00 0.00 46.02 43.75 1oz9 n GLY 85 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1oz9 s ASP 86 N -4.00 3.84 -0.12 1.61 1.01 -0.31 -1.48 116.67 117.22 1oz9 s ASP 86 Ca 0.00 -0.48 0.03 0.00 0.71 0.00 0.00 52.55 52.81 1oz9 s ASP 86 Cb 0.00 -0.59 0.01 0.00 1.01 0.00 0.00 42.92 43.35 1oz9 s ASP 86 CO 0.00 0.22 -0.21 -0.69 0.21 0.00 0.00 175.17 174.70 1oz9 s VAL 87 N -1.02 1.95 -0.12 -1.27 1.01 0.10 -0.22 120.40 120.83 1oz9 s VAL 87 Ca 0.16 -0.92 0.03 0.00 0.00 0.00 0.00 61.98 61.24 1oz9 s VAL 87 Cb -0.11 -1.72 0.01 0.00 0.00 0.00 0.00 36.38 34.56 1oz9 s VAL 87 CO 0.07 0.53 -0.21 -0.69 0.00 0.00 0.00 175.10 174.81 1oz9 s VAL 88 N 0.74 1.90 -0.02 2.92 1.01 0.08 -0.46 120.40 126.56 1oz9 s VAL 88 Ca -0.10 -0.90 0.06 0.00 0.00 0.00 0.00 61.98 61.05 1oz9 s VAL 88 Cb -0.16 -1.68 -0.01 0.00 0.00 0.00 0.00 36.38 34.53 1oz9 s VAL 88 CO 0.01 0.52 -0.21 -0.63 0.00 0.00 0.00 175.10 174.79 1oz9 s ILE 89 N 0.69 1.66 -0.28 2.22 1.01 -0.05 -0.71 121.20 125.75 1oz9 s ILE 89 Ca -0.11 -0.89 -0.15 0.00 0.00 0.00 0.00 60.65 59.50 1oz9 s ILE 89 Cb -0.16 -1.39 -0.03 0.00 0.01 0.00 0.00 42.46 40.89 1oz9 s ILE 89 CO 0.02 0.47 0.40 -0.55 0.00 0.00 0.00 174.94 175.28 1oz9 s SER 90 N -0.41 6.28 0.30 3.58 0.15 -0.58 -0.48 113.70 122.53 1oz9 s SER 90 Ca 0.06 0.28 -0.02 0.00 0.70 0.00 0.00 55.95 56.97 1oz9 s SER 90 Cb -0.09 -2.22 0.46 0.00 -1.71 0.00 0.00 66.02 62.46 1oz9 s SER 90 CO -0.00 -0.22 1.96 -0.61 1.20 0.00 0.00 173.24 175.57 1oz9 h GLN 91 N 8.18 1.07 -0.23 5.44 4.15 -1.28 -0.37 115.11 132.08 1oz9 h GLN 91 Ca -0.31 -0.06 0.02 0.00 0.77 0.00 0.00 58.65 59.07 1oz9 h GLN 91 Cb 1.16 -0.24 -0.03 0.00 0.21 0.00 0.00 27.48 28.58 1oz9 h GLN 91 CO 0.66 0.71 0.07 -0.44 -1.93 0.00 0.00 178.83 177.90 1oz9 h ASP 92 N 1.11 0.07 -0.21 -0.69 3.32 -1.92 0.22 116.42 118.32 1oz9 h ASP 92 Ca 0.31 0.03 -0.21 0.00 0.02 0.00 0.00 57.03 57.18 1oz9 h ASP 92 Cb -0.09 0.02 0.01 0.00 0.22 0.00 0.00 39.33 39.49 1oz9 h ASP 92 CO -0.08 0.07 -0.68 0.74 -1.72 0.00 0.00 179.24 177.57 1oz9 h THR 93 N 0.17 1.27 -0.88 0.35 2.02 -1.81 -3.00 112.91 111.03 1oz9 h THR 93 Ca 0.10 -1.87 0.09 0.00 0.77 0.00 0.00 66.41 65.50 1oz9 h THR 93 Cb 0.07 1.84 -0.07 0.00 -1.74 0.00 0.00 68.15 68.25 1oz9 h THR 93 CO -0.11 0.60 0.53 0.00 0.37 0.00 0.00 175.52 176.91 1oz9 h ALA 94 N 0.60 1.26 -0.69 6.16 0.00 -0.82 -1.21 119.26 124.56 1oz9 h ALA 94 Ca -0.03 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1oz9 h ALA 94 Cb 1.31 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.88 1oz9 h ALA 94 CO 0.15 0.20 0.33 0.93 0.00 0.00 0.00 179.25 180.85 1oz9 h GLU 95 N 0.91 1.00 -0.56 0.00 5.08 -0.88 0.31 114.58 120.43 1oz9 h GLU 95 Ca 0.41 -0.15 -0.10 0.00 -1.00 0.00 0.00 59.36 58.52 1oz9 h GLU 95 Cb 0.32 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.37 1oz9 h GLU 95 CO -0.23 0.79 -0.05 0.00 -1.00 0.00 0.00 179.01 178.52 1oz9 h ARG 96 N 0.96 1.03 -0.35 2.33 3.08 -1.25 -1.12 114.38 119.06 1oz9 h ARG 96 Ca 0.24 -0.36 -0.09 0.00 0.07 0.00 0.00 59.98 59.84 1oz9 h ARG 96 Cb 0.13 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.09 1oz9 h ARG 96 CO -0.03 1.04 -0.14 1.96 -1.07 0.00 0.00 179.97 181.74 1oz9 h GLN 97 N 0.91 0.71 -0.85 0.04 4.20 -1.02 0.04 115.11 119.15 1oz9 h GLN 97 Ca 0.15 -0.29 0.06 0.00 0.06 0.00 0.00 58.65 58.63 1oz9 h GLN 97 Cb 0.62 -0.03 -0.06 0.00 0.30 0.00 0.00 27.48 28.31 1oz9 h GLN 97 CO 0.04 0.89 0.52 0.00 -0.67 0.00 0.00 178.83 179.62 1oz9 h ALA 98 N 0.80 1.16 -0.30 3.87 0.00 -0.80 0.49 119.26 124.48 1oz9 h ALA 98 Ca 0.08 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1oz9 h ALA 98 Cb 0.66 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1oz9 h ALA 98 CO 0.04 0.27 0.12 -0.09 0.00 0.00 0.00 179.25 179.59 1oz9 h ARG 99 N 0.96 0.45 -0.23 0.00 2.43 -0.84 -0.54 114.38 116.61 1oz9 h ARG 99 Ca 0.37 -0.08 -0.09 0.00 -0.81 0.00 0.00 59.98 59.37 1oz9 h ARG 99 Cb 0.17 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.63 1oz9 h ARG 99 CO -0.17 0.46 -0.24 0.93 -1.51 0.00 0.00 179.97 179.44 1oz9 h GLU 100 N 0.33 0.43 0.00 0.20 5.08 0.00 -3.11 114.58 117.52 1oz9 h GLU 100 Ca 0.10 -0.16 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1oz9 h GLU 100 Cb 0.18 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.40 1oz9 h GLU 100 CO -0.01 0.65 -0.63 1.28 -1.00 0.00 0.00 179.01 179.30 1oz9 n LEU 101 N -4.13 0.59 -0.09 1.33 4.77 0.16 -4.96 117.00 114.66 1oz9 n LEU 101 Ca -0.00 0.08 0.00 0.00 -0.03 0.00 0.00 56.01 56.05 1oz9 n LEU 101 Cb 0.39 -0.20 0.00 0.00 -2.33 0.00 0.00 43.42 41.28 1oz9 n LEU 101 CO 0.41 0.05 0.00 0.61 -1.33 0.00 0.00 177.39 177.13 1oz9 n GLY 102 N 1.42 0.49 3.43 -0.72 0.00 -0.26 -5.06 105.19 104.49 1oz9 n GLY 102 Ca 0.04 -0.84 -0.23 0.00 0.00 0.00 0.00 46.02 44.99 1oz9 n GLY 102 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1oz9 s HIS 103 N -2.17 1.75 0.72 1.61 -3.43 -0.87 -5.06 115.29 107.83 1oz9 s HIS 103 Ca 0.00 -1.41 -0.11 0.00 -0.80 0.00 0.00 55.06 52.74 1oz9 s HIS 103 Cb 0.00 -1.00 0.02 0.00 -1.43 0.00 0.00 32.58 30.18 1oz9 s HIS 103 CO 0.00 -0.49 1.07 -1.54 -2.00 0.00 0.00 174.74 171.78 1oz9 s SER 104 N -3.52 5.10 0.24 7.38 1.04 -1.26 -4.44 113.70 118.24 1oz9 s SER 104 Ca 0.30 1.69 -0.07 0.00 0.48 0.00 0.00 55.95 58.35 1oz9 s SER 104 Cb 0.03 -2.50 0.24 0.00 0.10 0.00 0.00 66.02 63.88 1oz9 s SER 104 CO 0.19 -1.63 1.91 0.25 0.98 0.00 0.00 173.24 174.93 1oz9 h LEU 105 N -0.82 1.06 -0.64 2.42 5.85 -1.93 -1.44 115.31 119.81 1oz9 h LEU 105 Ca -0.44 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.25 1oz9 h LEU 105 Cb 1.22 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.95 1oz9 h LEU 105 CO 0.55 0.76 0.36 -0.33 -0.34 0.00 0.00 178.44 179.44 1oz9 h GLU 106 N 1.25 0.89 -0.83 1.25 5.08 -1.97 0.26 114.58 120.52 1oz9 h GLU 106 Ca 0.35 -0.10 -0.04 0.00 -1.00 0.00 0.00 59.36 58.57 1oz9 h GLU 106 Cb -0.12 -0.18 -0.04 0.00 0.50 0.00 0.00 28.75 28.91 1oz9 h GLU 106 CO -0.08 0.67 0.36 1.49 -1.00 0.00 0.00 179.01 180.45 1oz9 h GLU 107 N 0.88 1.22 -0.40 2.33 4.57 -1.82 -0.80 114.58 120.55 1oz9 h GLU 107 Ca 0.23 -0.20 -0.12 0.00 -1.18 0.00 0.00 59.36 58.09 1oz9 h GLU 107 Cb 0.03 -0.21 -0.01 0.00 -0.16 0.00 0.00 28.75 28.40 1oz9 h GLU 107 CO -0.04 0.96 -0.22 1.49 -1.18 0.00 0.00 179.01 180.02 1oz9 h GLU 108 N 1.20 0.85 -0.61 1.92 4.57 -0.45 -1.64 114.58 120.41 1oz9 h GLU 108 Ca 0.28 -0.38 -0.06 0.00 -1.18 0.00 0.00 59.36 58.02 1oz9 h GLU 108 Cb 0.17 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 28.72 1oz9 h GLU 108 CO -0.03 1.02 0.15 0.28 -1.18 0.00 0.00 179.01 179.25 1oz9 h VAL 109 N 0.65 1.25 -0.47 0.32 2.07 -0.30 -0.67 116.25 119.11 1oz9 h VAL 109 Ca 0.08 -0.90 0.03 0.00 0.82 0.00 0.00 66.70 66.73 1oz9 h VAL 109 Cb 0.78 0.68 -0.04 0.00 -1.52 0.00 0.00 31.29 31.19 1oz9 h VAL 109 CO 0.06 0.34 0.25 0.50 0.02 0.00 0.00 177.57 178.75 1oz9 h LYS 110 N 0.88 0.49 -0.43 1.57 3.64 -1.02 -0.37 116.57 121.34 1oz9 h LYS 110 Ca 0.19 -0.03 -0.07 0.00 -1.27 0.00 0.00 60.65 59.47 1oz9 h LYS 110 Cb 0.35 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.04 1oz9 h LYS 110 CO 0.00 0.32 -0.04 0.00 -2.27 0.00 0.00 179.45 177.47 1oz9 h ARG 111 N 0.51 0.71 -0.10 1.90 3.08 -1.03 -2.27 114.38 117.18 1oz9 h ARG 111 Ca 0.20 -0.20 -0.16 0.00 0.07 0.00 0.00 59.98 59.89 1oz9 h ARG 111 Cb 0.07 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.03 1oz9 h ARG 111 CO -0.12 0.75 -0.62 -0.07 -1.07 0.00 0.00 179.97 178.84 1oz9 h LEU 112 N 0.66 0.42 -0.34 3.04 3.38 -0.75 -0.41 115.31 121.32 1oz9 h LEU 112 Ca 0.13 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 1oz9 h LEU 112 Cb 0.47 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 1oz9 h LEU 112 CO 0.02 0.94 0.18 0.40 0.09 0.00 0.00 178.44 180.07 1oz9 h ILE 113 N 0.27 1.14 -0.36 1.22 2.04 -0.69 0.64 117.51 121.76 1oz9 h ILE 113 Ca -0.01 -0.37 -0.02 0.00 1.00 0.00 0.00 64.86 65.46 1oz9 h ILE 113 Cb 1.16 0.77 -0.02 0.00 -0.74 0.00 0.00 36.82 37.99 1oz9 h ILE 113 CO 0.10 0.14 0.16 0.58 0.00 0.00 0.00 178.15 179.14 1oz9 h VAL 114 N 0.42 1.18 -0.53 1.67 2.07 -1.30 -0.78 116.25 118.98 1oz9 h VAL 114 Ca 0.12 -0.54 0.03 0.00 0.82 0.00 0.00 66.70 67.13 1oz9 h VAL 114 Cb 0.07 0.86 -0.04 0.00 -1.52 0.00 0.00 31.29 30.66 1oz9 h VAL 114 CO -0.02 0.19 0.30 -0.74 0.02 0.00 0.00 177.57 177.33 1oz9 h HIS 115 N 0.45 0.56 -0.76 1.57 -0.00 -0.87 -1.27 115.15 114.83 1oz9 h HIS 115 Ca 0.12 0.02 -0.05 0.00 -0.00 0.00 0.00 60.37 60.47 1oz9 h HIS 115 Cb 0.16 -0.18 -0.03 0.00 -0.00 0.00 0.00 27.41 27.36 1oz9 h HIS 115 CO -0.01 0.31 0.29 0.78 -0.00 0.00 0.00 177.93 179.30 1oz9 h GLY 116 N 0.60 1.23 0.92 5.26 0.00 -0.54 -2.37 103.07 108.17 1oz9 h GLY 116 Ca 0.22 -0.68 -0.05 0.00 0.00 0.00 0.00 47.33 46.82 1oz9 h GLY 116 CO -0.12 0.64 0.04 -2.22 0.00 0.00 0.00 176.54 174.89 1oz9 h ILE 117 N 1.11 1.24 -0.91 2.60 2.04 -0.66 -0.93 117.51 122.01 1oz9 h ILE 117 Ca 0.25 -0.88 -0.00 0.00 1.00 0.00 0.00 64.86 65.23 1oz9 h ILE 117 Cb 0.23 1.11 -0.04 0.00 -0.74 0.00 0.00 36.82 37.38 1oz9 h ILE 117 CO -0.02 0.30 0.55 0.58 0.00 0.00 0.00 178.15 179.56 1oz9 h VAL 118 N 0.45 1.25 -0.92 1.67 2.07 -1.10 -0.88 116.25 118.79 1oz9 h VAL 118 Ca 0.11 -0.53 -0.01 0.00 0.82 0.00 0.00 66.70 67.09 1oz9 h VAL 118 Cb 0.39 -0.04 -0.04 0.00 -1.52 0.00 0.00 31.29 30.08 1oz9 h VAL 118 CO 0.01 0.26 0.54 0.45 0.02 0.00 0.00 177.57 178.84 1oz9 h HIS 119 N 1.25 1.23 0.00 1.57 3.86 -1.14 -2.43 115.15 119.49 1oz9 h HIS 119 Ca 0.33 -0.01 -0.04 0.00 -1.16 0.00 0.00 60.37 59.48 1oz9 h HIS 119 Cb -0.06 -0.40 -0.01 0.00 1.06 0.00 0.00 27.41 28.00 1oz9 h HIS 119 CO 0.00 0.83 -0.18 -0.07 0.86 0.00 0.00 177.93 179.37 1oz9 h LEU 120 N 1.28 0.00 -0.23 2.43 3.38 0.18 -0.84 115.31 121.51 1oz9 h LEU 120 Ca 0.33 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.30 1oz9 h LEU 120 Cb -0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.73 1oz9 h LEU 120 CO -0.06 0.18 0.00 0.18 0.09 0.00 0.00 178.44 178.83 1oz9 n LEU 121 N -3.76 0.35 0.00 1.67 4.77 -0.72 -4.89 117.00 114.41 1oz9 n LEU 121 Ca -0.02 -0.13 0.00 0.00 -0.03 0.00 0.00 56.01 55.83 1oz9 n LEU 121 Cb 0.29 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.37 1oz9 n LEU 121 CO 0.33 0.07 0.00 0.61 -1.33 0.00 0.00 177.39 177.06 1oz9 n GLY 122 N 0.93 0.92 3.82 -0.72 0.00 -0.32 -5.09 105.19 104.74 1oz9 n GLY 122 Ca 0.18 -0.23 -0.29 0.00 0.00 0.00 0.00 46.02 45.68 1oz9 n GLY 122 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1oz9 s TYR 123 N -2.00 3.25 -0.06 1.61 1.51 -1.16 -5.05 117.35 115.45 1oz9 s TYR 123 Ca 0.00 0.07 -0.03 0.00 -1.01 0.00 0.00 57.07 56.10 1oz9 s TYR 123 Cb 0.00 -1.61 0.03 0.00 -0.11 0.00 0.00 41.96 40.28 1oz9 s TYR 123 CO 0.00 0.53 0.12 0.34 -1.11 0.00 0.00 175.55 175.43 1oz9 s ASP 124 N -2.73 -0.09 0.07 2.29 -1.08 -1.26 -4.26 116.67 109.61 1oz9 s ASP 124 Ca 0.31 0.25 0.23 0.00 -0.52 0.00 0.00 52.55 52.82 1oz9 s ASP 124 Cb -0.11 0.16 0.09 0.00 -1.46 0.00 0.00 42.92 41.60 1oz9 s ASP 124 CO 0.24 -0.12 1.07 0.00 0.52 0.00 0.00 175.17 176.87 1oz9 n HIS 125 N 3.97 0.35 0.28 -5.34 1.44 -1.26 -3.99 115.22 110.67 1oz9 n HIS 125 Ca -0.24 0.10 0.15 0.00 -2.01 0.00 0.00 57.72 55.72 1oz9 n HIS 125 Cb 0.53 -0.50 0.85 0.00 0.12 0.00 0.00 29.99 30.98 1oz9 n HIS 125 CO 0.00 0.00 0.00 0.93 -2.81 0.00 0.00 176.34 174.46 1oz9 h GLU 126 N 0.00 0.00 -0.86 -1.40 5.08 -1.95 -0.66 114.58 114.79 1oz9 h GLU 126 Ca 0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 1oz9 h GLU 126 Cb 0.75 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.96 1oz9 h GLU 126 CO 0.00 0.06 0.44 -0.22 -1.00 0.00 0.00 179.01 178.29 1oz9 h LYS 127 N 0.00 1.21 0.00 2.33 1.63 -1.98 -3.49 116.57 116.27 1oz9 h LYS 127 Ca -0.00 -0.16 0.00 0.00 -0.85 0.00 0.00 60.65 59.64 1oz9 h LYS 127 Cb 0.22 -0.23 0.00 0.00 -0.60 0.00 0.00 32.23 31.62 1oz9 h LYS 127 CO 0.01 0.91 0.00 0.41 -3.45 0.00 0.00 179.45 177.32 1oz9 n GLY 128 N -1.09 -1.16 7.00 5.01 0.00 -0.26 -4.98 105.19 109.71 1oz9 n GLY 128 Ca 0.09 -1.63 0.00 0.00 0.00 0.00 0.00 46.02 44.48 1oz9 n GLY 128 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1oz9 n GLY 129 N 0.00 1.72 0.36 -0.02 0.00 -1.26 -1.86 105.19 104.13 1oz9 n GLY 129 Ca 0.00 -0.30 0.04 0.00 0.00 0.00 0.00 46.02 45.77 1oz9 n GLY 129 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1oz9 h GLU 130 N 0.00 1.02 -0.59 1.61 4.57 -1.99 -2.50 114.58 116.69 1oz9 h GLU 130 Ca 0.00 -0.06 -0.05 0.00 -1.18 0.00 0.00 59.36 58.06 1oz9 h GLU 130 Cb 0.00 -0.23 -0.02 0.00 -0.16 0.00 0.00 28.75 28.33 1oz9 h GLU 130 CO 0.00 0.68 0.16 0.93 -1.18 0.00 0.00 179.01 179.60 1oz9 h GLU 131 N 1.05 0.94 -0.55 1.92 5.08 -1.80 -0.27 114.58 120.95 1oz9 h GLU 131 Ca 0.45 -0.22 -0.02 0.00 -1.00 0.00 0.00 59.36 58.58 1oz9 h GLU 131 Cb 0.32 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.42 1oz9 h GLU 131 CO -0.22 0.86 0.29 1.49 -1.00 0.00 0.00 179.01 180.42 1oz9 h GLU 132 N 0.85 0.79 -0.03 2.33 4.81 -1.14 0.18 114.58 122.37 1oz9 h GLU 132 Ca 0.19 -0.10 0.04 0.00 -0.13 0.00 0.00 59.36 59.35 1oz9 h GLU 132 Cb 0.32 -0.15 -0.05 0.00 0.63 0.00 0.00 28.75 29.51 1oz9 h GLU 132 CO -0.00 0.63 -0.25 -0.22 -0.73 0.00 0.00 179.01 178.43 1oz9 h LYS 133 N 0.75 -0.36 -0.19 1.92 3.64 -1.01 0.10 116.57 121.43 1oz9 h LYS 133 Ca 0.19 0.02 -0.08 0.00 -1.27 0.00 0.00 60.65 59.52 1oz9 h LYS 133 Cb 0.08 0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.97 1oz9 h LYS 133 CO -0.03 -0.24 -0.22 0.87 -2.27 0.00 0.00 179.45 177.57 1oz9 h LYS 134 N -0.37 0.33 0.10 1.90 1.79 -0.64 -1.18 116.57 118.51 1oz9 h LYS 134 Ca 0.07 -0.11 -0.01 0.00 -2.18 0.00 0.00 60.65 58.43 1oz9 h LYS 134 Cb 0.47 -0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.09 1oz9 h LYS 134 CO -0.25 0.54 -0.05 0.35 -1.08 0.00 0.00 179.45 178.96 1oz9 h PHE 135 N 0.30 -0.13 -0.36 -1.35 3.57 0.21 -2.52 116.94 116.66 1oz9 h PHE 135 Ca 0.05 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.50 1oz9 h PHE 135 Cb 0.56 0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.32 1oz9 h PHE 135 CO 0.01 0.08 0.04 0.00 -2.23 0.00 0.00 178.31 176.21 1oz9 h ARG 136 N -0.32 0.61 -0.68 1.11 2.47 -0.67 -0.82 114.38 116.08 1oz9 h ARG 136 Ca -0.01 -0.18 0.11 0.00 -1.26 0.00 0.00 59.98 58.64 1oz9 h ARG 136 Cb 0.27 -0.07 -0.08 0.00 -1.65 0.00 0.00 29.97 28.44 1oz9 h ARG 136 CO 0.02 0.70 0.28 0.93 0.56 0.00 0.00 179.97 182.46 1oz9 h GLU 137 N 0.44 0.46 -0.42 0.04 5.08 -1.25 0.63 114.58 119.56 1oz9 h GLU 137 Ca 0.11 -0.03 -0.10 0.00 -1.00 0.00 0.00 59.36 58.34 1oz9 h GLU 137 Cb 0.40 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 1oz9 h GLU 137 CO 0.01 0.30 -0.11 1.25 -1.00 0.00 0.00 179.01 179.46 1oz9 h LEU 138 N 0.47 0.83 -0.30 1.33 5.85 -1.13 -0.26 115.31 122.10 1oz9 h LEU 138 Ca 0.35 -0.37 -0.02 0.00 0.84 0.00 0.00 57.88 58.69 1oz9 h LEU 138 Cb 0.45 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.23 1oz9 h LEU 138 CO -0.32 1.01 0.12 -0.08 -0.34 0.00 0.00 178.44 178.83 1oz9 h GLU 139 N 0.65 0.45 -0.42 1.25 4.81 -0.87 -1.41 114.58 119.04 1oz9 h GLU 139 Ca 0.11 -0.08 0.01 0.00 -0.13 0.00 0.00 59.36 59.27 1oz9 h GLU 139 Cb 0.65 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.93 1oz9 h GLU 139 CO 0.04 0.46 0.25 -0.91 -0.73 0.00 0.00 179.01 178.13 1oz9 h ASN 140 N 0.34 0.42 -0.39 1.04 2.35 -0.74 -0.32 115.58 118.29 1oz9 h ASN 140 Ca 0.10 -0.00 0.06 0.00 -0.55 0.00 0.00 56.30 55.91 1oz9 h ASN 140 Cb 0.17 -0.09 -0.05 0.00 0.05 0.00 0.00 38.32 38.40 1oz9 h ASN 140 CO -0.01 0.30 0.07 0.22 -1.65 0.00 0.00 177.43 176.37 1oz9 h TYR 141 N 0.52 0.12 -0.39 1.19 3.20 -0.84 0.25 116.97 121.02 1oz9 h TYR 141 Ca 0.16 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 62.01 1oz9 h TYR 141 Cb -0.01 0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.25 1oz9 h TYR 141 CO -0.06 0.01 0.06 0.28 -1.64 0.00 0.00 178.16 176.80 1oz9 h VAL 142 N 0.20 1.24 -0.77 1.81 2.07 -0.97 -2.07 116.25 117.77 1oz9 h VAL 142 Ca 0.19 -0.87 0.06 0.00 0.82 0.00 0.00 66.70 66.90 1oz9 h VAL 142 Cb 0.22 1.06 -0.06 0.00 -1.52 0.00 0.00 31.29 30.99 1oz9 h VAL 142 CO -0.25 0.30 0.45 -0.07 0.02 0.00 0.00 177.57 178.02 1oz9 h LEU 143 N 0.49 0.69 -1.62 2.57 3.38 -0.74 -0.28 115.31 119.81 1oz9 h LEU 143 Ca 0.12 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.09 1oz9 h LEU 143 Cb 0.37 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 1oz9 h LEU 143 CO 0.01 0.44 0.02 0.77 0.09 0.00 0.00 178.44 179.77 1oz9 h SER 144 N 0.83 0.24 1.19 -0.43 4.64 -0.50 -0.32 113.55 119.19 1oz9 h SER 144 Ca 0.34 -0.02 -0.09 0.00 -0.47 0.00 0.00 61.79 61.55 1oz9 h SER 144 Cb 0.19 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 62.21 1oz9 h SER 144 CO -0.18 0.27 -0.42 0.11 -0.87 0.00 0.00 176.83 175.74 1oz9 h LYS 145 N 0.26 0.00 0.00 4.77 1.79 -0.41 -2.10 116.57 120.88 1oz9 h LYS 145 Ca 0.06 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.53 1oz9 h LYS 145 Cb 0.15 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.80 1oz9 h LYS 145 CO 0.00 0.42 -0.69 -0.07 -1.08 0.00 0.00 179.45 178.03 1oz9 h LEU 146 N 0.00 0.00 0.01 2.94 4.07 -0.39 -3.35 115.31 118.59 1oz9 h LEU 146 Ca -0.00 -0.22 -0.00 0.00 0.08 0.00 0.00 57.88 57.74 1oz9 h LEU 146 Cb 1.12 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.86 1oz9 h LEU 146 CO 0.05 0.11 -0.01 0.77 -1.08 0.00 0.00 178.44 178.29 1oz9 h SER 147 N 0.00 -0.01 0.00 -0.43 4.64 -0.95 -3.51 113.55 113.29 1oz9 h SER 147 Ca 0.00 -0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.24 1oz9 h SER 147 Cb 0.76 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.85 1oz9 h SER 147 CO 0.00 0.53 0.00 0.29 -0.87 0.00 0.00 176.83 176.78