#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1de3 n VAL 2 N 0.00 0.00 -3.38 0.00 3.14 -1.26 -4.93 118.33 111.89 1de3 n VAL 2 Ca 0.00 -0.50 -0.45 0.00 -2.96 0.00 0.00 64.34 60.42 1de3 n VAL 2 Cb 0.00 0.65 -0.03 0.00 -1.06 0.00 0.00 33.84 33.40 1de3 n VAL 2 CO 0.00 0.00 0.00 -0.89 -6.46 0.00 0.00 176.83 169.48 1de3 s THR 3 N -2.18 5.39 -0.60 1.55 2.01 -1.26 0.66 115.64 121.21 1de3 s THR 3 Ca 0.18 -2.64 -0.28 0.00 0.31 0.00 0.00 61.69 59.26 1de3 s THR 3 Cb -0.03 -4.34 0.03 0.00 0.01 0.00 0.00 72.50 68.18 1de3 s THR 3 CO 0.05 -1.02 1.23 0.26 -0.69 0.00 0.00 174.62 174.44 1de3 s TRP 4 N -0.01 2.53 -0.11 4.92 0.52 0.12 -3.97 118.94 122.95 1de3 s TRP 4 Ca 0.19 0.36 -0.04 0.00 0.02 0.00 0.00 56.10 56.64 1de3 s TRP 4 Cb -0.11 -4.52 -0.04 0.00 -1.15 0.00 0.00 33.47 27.65 1de3 s TRP 4 CO -0.08 -1.69 0.04 0.99 0.02 0.00 0.00 176.95 176.23 1de3 s THR 5 N 5.16 4.60 0.26 2.01 2.01 0.27 0.27 115.64 130.22 1de3 s THR 5 Ca 0.43 -0.13 0.12 0.00 0.31 0.00 0.00 61.69 62.41 1de3 s THR 5 Cb -0.08 -2.97 -0.05 0.00 0.01 0.00 0.00 72.50 69.42 1de3 s THR 5 CO 0.24 0.59 -0.20 0.00 -0.69 0.00 0.00 174.62 174.56 1de3 s LEU 7 N -3.37 3.80 0.40 0.00 1.43 -1.26 -0.17 118.68 119.51 1de3 s LEU 7 Ca 0.28 -3.21 -0.01 0.00 -1.03 0.00 0.00 54.13 50.17 1de3 s LEU 7 Cb -0.06 -1.37 -0.02 0.00 0.03 0.00 0.00 46.19 44.77 1de3 s LEU 7 CO 0.14 -0.18 0.63 0.20 0.23 0.00 0.00 176.35 177.37 1de3 s ASN 8 N -0.49 6.15 -0.15 2.29 -0.87 -1.12 -4.68 114.94 116.06 1de3 s ASN 8 Ca 0.21 0.49 -0.12 0.00 -1.57 0.00 0.00 52.86 51.87 1de3 s ASN 8 Cb -0.15 -1.92 -0.05 0.00 -0.02 0.00 0.00 41.25 39.10 1de3 s ASN 8 CO -0.07 -0.46 0.24 -0.62 -2.57 0.00 0.00 177.10 173.61 1de3 s ASP 9 N -4.10 6.40 -0.11 -1.22 2.15 -1.26 -1.58 116.67 116.94 1de3 s ASP 9 Ca 0.44 0.47 0.01 0.00 0.43 0.00 0.00 52.55 53.89 1de3 s ASP 9 Cb -0.10 -2.15 0.02 0.00 -0.30 0.00 0.00 42.92 40.39 1de3 s ASP 9 CO 0.38 0.17 -0.13 -1.10 -0.17 0.00 0.00 175.17 174.33 1de3 s GLN 10 N 0.14 2.01 -1.31 4.34 -0.21 0.24 0.60 119.66 125.47 1de3 s GLN 10 Ca 0.15 -0.47 -0.17 0.00 0.02 0.00 0.00 55.36 54.89 1de3 s GLN 10 Cb -0.13 -1.80 0.08 0.00 1.00 0.00 0.00 33.01 32.16 1de3 s GLN 10 CO 0.03 -0.14 1.77 1.17 -2.12 0.00 0.00 175.29 176.01 1de3 n LYS 11 N 4.45 3.18 -1.67 2.91 4.81 -1.26 0.05 118.16 130.63 1de3 n LYS 11 Ca -0.18 -3.26 -0.54 0.00 -0.87 0.00 0.00 58.31 53.46 1de3 n LYS 11 Cb 0.51 -3.40 -0.06 0.00 0.02 0.00 0.00 35.03 32.09 1de3 n LYS 11 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 1de3 n ASN 12 N 7.64 2.31 0.16 3.14 5.15 0.83 -4.73 115.26 129.76 1de3 n ASN 12 Ca 0.48 1.08 0.02 0.00 -0.60 0.00 0.00 54.58 55.55 1de3 n ASN 12 Cb 0.44 -1.20 0.22 0.00 -0.53 0.00 0.00 39.78 38.72 1de3 n ASN 12 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 1de3 h PRO 13 N 6.52 0.00 -0.10 1.20 0.13 -1.93 0.23 132.00 138.05 1de3 h PRO 13 Ca -0.47 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1de3 h PRO 13 Cb 1.32 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.44 1de3 h PRO 13 CO 0.90 0.52 0.05 -0.22 -0.23 0.00 0.00 178.00 179.01 1de3 h LYS 14 N 0.00 0.14 -0.02 0.86 3.64 -1.96 -2.88 116.57 116.35 1de3 h LYS 14 Ca -0.01 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1de3 h LYS 14 Cb 1.06 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.86 1de3 h LYS 14 CO 0.07 0.22 -0.18 0.25 -2.27 0.00 0.00 179.45 177.54 1de3 n THR 15 N -4.95 0.00 -2.33 1.00 -2.24 -1.23 -4.95 114.28 99.59 1de3 n THR 15 Ca -0.06 -0.34 -0.06 0.00 -2.27 0.00 0.00 64.05 61.33 1de3 n THR 15 Cb 0.09 1.11 -0.00 0.00 -2.10 0.00 0.00 70.33 69.43 1de3 n THR 15 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1de3 n ASN 16 N 0.48 -2.23 -4.36 3.42 2.85 0.76 -4.90 115.26 111.28 1de3 n ASN 16 Ca 0.13 0.34 -0.19 0.00 -0.11 0.00 0.00 54.58 54.75 1de3 n ASN 16 Cb 0.49 -2.02 -0.10 0.00 1.24 0.00 0.00 39.78 39.39 1de3 n ASN 16 CO 0.00 0.00 0.00 -0.54 -2.11 0.00 0.00 177.26 174.61 1de3 s LYS 17 N -4.74 1.38 -0.11 1.20 -0.14 -0.87 -4.91 119.74 111.56 1de3 s LYS 17 Ca 0.00 -1.66 -0.18 0.00 -1.36 0.00 0.00 55.97 52.77 1de3 s LYS 17 Cb 0.00 -0.99 -0.04 0.00 -1.68 0.00 0.00 37.83 35.11 1de3 s LYS 17 CO 0.00 0.07 0.48 0.71 -0.76 0.00 0.00 175.35 175.85 1de3 s TYR 18 N -3.10 3.53 0.09 3.18 2.02 -1.26 -0.12 117.35 121.69 1de3 s TYR 18 Ca 0.25 0.91 0.05 0.00 -0.37 0.00 0.00 57.07 57.91 1de3 s TYR 18 Cb 0.02 -2.54 -0.03 0.00 -0.40 0.00 0.00 41.96 39.01 1de3 s TYR 18 CO 0.08 0.20 -0.14 -1.21 -1.57 0.00 0.00 175.55 172.92 1de3 s GLU 19 N 0.49 0.88 -0.95 -0.62 2.02 0.11 -4.89 118.70 115.74 1de3 s GLU 19 Ca 0.26 -1.05 -0.09 0.00 0.02 0.00 0.00 54.97 54.11 1de3 s GLU 19 Cb -0.15 -0.84 0.24 0.00 0.10 0.00 0.00 34.13 33.48 1de3 s GLU 19 CO 0.11 0.18 0.90 0.99 0.02 0.00 0.00 175.26 177.45 1de3 s THR 20 N -1.60 5.39 0.89 3.63 2.01 -1.26 0.81 115.64 125.51 1de3 s THR 20 Ca 0.02 -3.21 -0.11 0.00 0.31 0.00 0.00 61.69 58.69 1de3 s THR 20 Cb -0.08 -4.30 0.13 0.00 0.01 0.00 0.00 72.50 68.26 1de3 s THR 20 CO 0.02 -1.10 1.09 -0.54 -0.69 0.00 0.00 174.62 173.41 1de3 s LYS 21 N -0.79 1.30 -0.56 4.92 -0.14 -0.62 -4.84 119.74 119.01 1de3 s LYS 21 Ca 0.25 0.83 -0.02 0.00 -1.36 0.00 0.00 55.97 55.67 1de3 s LYS 21 Cb -0.10 -1.81 0.14 0.00 -1.68 0.00 0.00 37.83 34.38 1de3 s LYS 21 CO -0.09 -2.22 0.36 1.03 -0.76 0.00 0.00 175.35 173.67 1de3 s ARG 22 N -4.93 2.35 -0.62 1.68 0.52 -1.26 -2.81 118.95 113.88 1de3 s ARG 22 Ca 0.63 -2.35 -0.27 0.00 -0.52 0.00 0.00 55.73 53.22 1de3 s ARG 22 Cb -0.18 -3.65 0.03 0.00 0.52 0.00 0.00 34.95 31.67 1de3 s ARG 22 CO 0.57 -1.14 1.16 -0.51 0.02 0.00 0.00 175.30 175.40 1de3 s LEU 23 N 0.23 3.54 0.01 2.53 1.02 0.76 -4.87 118.68 121.90 1de3 s LEU 23 Ca 0.15 -0.15 -0.26 0.00 0.02 0.00 0.00 54.13 53.88 1de3 s LEU 23 Cb -0.21 -2.93 -0.04 0.00 0.02 0.00 0.00 46.19 43.02 1de3 s LEU 23 CO -0.03 -1.52 0.81 -0.22 0.02 0.00 0.00 176.35 175.41 1de3 s LEU 24 N 4.92 4.39 -0.20 1.79 1.98 -1.26 0.37 118.68 130.66 1de3 s LEU 24 Ca 0.38 1.45 -0.03 0.00 -2.89 0.00 0.00 54.13 53.04 1de3 s LEU 24 Cb -0.09 -3.30 0.07 0.00 0.66 0.00 0.00 46.19 43.53 1de3 s LEU 24 CO 0.21 -0.10 0.06 -0.31 -1.89 0.00 0.00 176.35 174.33 1de3 s TYR 25 N 0.46 0.81 -0.12 5.38 2.02 0.14 -4.62 117.35 121.42 1de3 s TYR 25 Ca 0.42 -0.78 -0.29 0.00 -0.37 0.00 0.00 57.07 56.05 1de3 s TYR 25 Cb -0.20 -0.98 -0.05 0.00 -0.40 0.00 0.00 41.96 40.33 1de3 s TYR 25 CO 0.23 -0.62 1.81 -0.80 -1.57 0.00 0.00 175.55 174.60 1de3 s ASN 26 N 1.93 6.31 0.44 2.29 -0.87 -1.26 0.14 114.94 123.93 1de3 s ASN 26 Ca 0.01 2.06 0.28 0.00 -1.57 0.00 0.00 52.86 53.64 1de3 s ASN 26 Cb -0.17 -2.53 1.35 0.00 -0.02 0.00 0.00 41.25 39.88 1de3 s ASN 26 CO -0.11 -1.25 1.69 -0.61 -2.57 0.00 0.00 177.10 174.25 1de3 h GLN 27 N 11.13 0.17 0.05 -0.60 4.15 -0.11 -0.44 115.11 129.46 1de3 h GLN 27 Ca -0.40 -0.01 0.03 0.00 0.77 0.00 0.00 58.65 59.04 1de3 h GLN 27 Cb 1.19 -0.04 -0.04 0.00 0.21 0.00 0.00 27.48 28.81 1de3 h GLN 27 CO 0.97 0.11 -0.24 -0.97 -1.93 0.00 0.00 178.83 176.77 1de3 h ASN 28 N 0.17 -0.70 0.33 -0.69 -1.24 -1.89 0.90 115.58 112.46 1de3 h ASN 28 Ca 0.73 0.09 0.00 0.00 0.71 0.00 0.00 56.30 57.83 1de3 h ASN 28 Cb 2.25 0.28 0.00 0.00 0.73 0.00 0.00 38.32 41.59 1de3 h ASN 28 CO -0.31 -0.32 0.00 0.11 -1.29 0.00 0.00 177.43 175.62 1de3 h LYS 29 N -0.41 0.00 0.00 6.67 6.56 -1.46 0.48 116.57 128.42 1de3 h LYS 29 Ca 0.05 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.64 1de3 h LYS 29 Cb 0.46 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.12 1de3 h LYS 29 CO -0.19 0.00 -0.12 0.00 -2.06 0.00 0.00 179.45 177.08 1de3 h ALA 30 N 2.03 0.00 -0.86 3.86 0.00 -0.64 -2.56 119.26 121.09 1de3 h ALA 30 Ca 0.00 -0.19 0.19 0.00 0.00 0.00 0.00 54.91 54.91 1de3 h ALA 30 Cb 0.17 0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.02 1de3 h ALA 30 CO 0.00 0.12 0.57 1.05 0.00 0.00 0.00 179.25 180.99 1de3 h GLU 31 N -0.48 0.40 -0.07 0.00 -0.00 1.00 0.15 114.58 115.59 1de3 h GLU 31 Ca 0.00 -0.02 -0.16 0.00 -0.00 0.00 0.00 59.36 59.18 1de3 h GLU 31 Cb 0.12 -0.09 0.01 0.00 -0.00 0.00 0.00 28.75 28.79 1de3 h GLU 31 CO 0.00 0.27 -0.56 1.03 -0.00 0.00 0.00 179.01 179.74 1de3 h SER 32 N 0.41 0.62 0.28 3.06 0.87 -0.20 0.76 113.55 119.35 1de3 h SER 32 Ca 0.44 -0.68 -0.01 0.00 -1.23 0.00 0.00 61.79 60.30 1de3 h SER 32 Cb 1.06 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 62.84 1de3 h SER 32 CO -0.16 1.20 -0.14 0.78 -0.53 0.00 0.00 176.83 177.99 1de3 h ASN 33 N 0.08 -0.33 -0.88 6.23 2.35 -0.58 0.22 115.58 122.67 1de3 h ASN 33 Ca -0.05 0.01 0.02 0.00 -0.55 0.00 0.00 56.30 55.73 1de3 h ASN 33 Cb 1.23 0.09 -0.05 0.00 0.05 0.00 0.00 38.32 39.64 1de3 h ASN 33 CO 0.11 -0.23 0.58 0.77 -1.65 0.00 0.00 177.43 177.01 1de3 h SER 34 N -0.38 0.99 1.22 5.81 4.64 -0.81 0.62 113.55 125.63 1de3 h SER 34 Ca -0.04 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.26 1de3 h SER 34 Cb 0.30 -0.24 0.00 0.00 -0.31 0.00 0.00 62.40 62.14 1de3 h SER 34 CO 0.06 0.71 0.00 0.45 -0.87 0.00 0.00 176.83 177.18 1de3 h HIS 35 N 1.16 0.00 0.00 4.77 3.86 -0.38 -1.30 115.15 123.26 1de3 h HIS 35 Ca 0.33 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.54 1de3 h HIS 35 Cb -0.09 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.38 1de3 h HIS 35 CO -0.00 0.00 -0.72 0.72 0.86 0.00 0.00 177.93 178.79 1de3 n HIS 36 N -2.82 0.04 -3.77 2.45 -0.00 0.72 -4.90 115.22 106.94 1de3 n HIS 36 Ca 0.02 0.01 -0.36 0.00 -0.00 0.00 0.00 57.72 57.40 1de3 n HIS 36 Cb 0.35 -0.20 -0.06 0.00 -0.00 0.00 0.00 29.99 30.08 1de3 n HIS 36 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1de3 s ALA 37 N -3.03 3.85 0.52 -1.41 0.00 0.05 -5.06 121.76 116.68 1de3 s ALA 37 Ca 0.09 -0.56 -0.20 0.00 0.00 0.00 0.00 51.96 51.29 1de3 s ALA 37 Cb 0.17 -2.07 -0.07 0.00 0.00 0.00 0.00 23.12 21.15 1de3 s ALA 37 CO 0.76 0.63 1.08 -1.25 0.00 0.00 0.00 175.76 176.99 1de3 s PRO 38 N -1.50 3.55 -1.03 0.00 0.04 -1.26 -4.91 135.00 129.88 1de3 s PRO 38 Ca 0.24 1.47 -0.17 0.00 0.04 0.00 0.00 61.00 62.58 1de3 s PRO 38 Cb -0.13 -2.05 0.15 0.00 0.04 0.00 0.00 34.50 32.51 1de3 s PRO 38 CO 0.13 -0.66 1.23 -0.51 0.04 0.00 0.00 177.00 177.23 1de3 s LEU 39 N -3.70 5.12 -0.30 -3.56 1.43 -1.26 -4.34 118.68 112.08 1de3 s LEU 39 Ca 0.70 -2.45 -0.01 0.00 -1.03 0.00 0.00 54.13 51.33 1de3 s LEU 39 Cb -0.20 -2.39 0.19 0.00 0.03 0.00 0.00 46.19 43.82 1de3 s LEU 39 CO 0.24 -0.92 0.64 -0.94 0.23 0.00 0.00 176.35 175.61 1de3 s SER 40 N 3.25 -1.33 -0.03 2.29 1.04 -1.26 -5.00 113.70 112.65 1de3 s SER 40 Ca 0.36 0.72 -0.32 0.00 0.48 0.00 0.00 55.95 57.18 1de3 s SER 40 Cb -0.04 2.07 -0.11 0.00 0.10 0.00 0.00 66.02 68.04 1de3 s SER 40 CO -0.06 -0.25 1.92 -0.67 0.98 0.00 0.00 173.24 175.16 1de3 n ASP 41 N 5.43 3.75 -3.56 7.02 2.03 -1.19 -3.25 116.55 126.78 1de3 n ASP 41 Ca -0.01 0.95 -0.17 0.00 0.52 0.00 0.00 54.79 56.08 1de3 n ASP 41 Cb 0.52 -1.44 0.00 0.00 -0.72 0.00 0.00 41.12 39.48 1de3 n ASP 41 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1de3 n GLY 42 N 4.45 -1.29 2.03 0.27 0.00 -1.09 -4.48 105.19 105.08 1de3 n GLY 42 Ca 0.21 0.56 -0.02 0.00 0.00 0.00 0.00 46.02 46.78 1de3 n GLY 42 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1de3 n LYS 43 N -2.37 0.81 -4.09 1.61 4.81 -0.99 -5.02 118.16 112.92 1de3 n LYS 43 Ca -0.22 -1.83 -0.13 0.00 -0.87 0.00 0.00 58.31 55.26 1de3 n LYS 43 Cb 0.63 -0.10 -0.06 0.00 0.02 0.00 0.00 35.03 35.53 1de3 n LYS 43 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 1de3 s THR 44 N -0.82 0.00 0.02 3.15 2.01 -1.24 -5.00 115.64 113.75 1de3 s THR 44 Ca 0.16 -1.64 -0.05 0.00 0.31 0.00 0.00 61.69 60.47 1de3 s THR 44 Cb 0.29 -2.48 -0.02 0.00 0.01 0.00 0.00 72.50 70.30 1de3 s THR 44 CO -0.08 0.00 1.08 1.23 -0.69 0.00 0.00 174.62 176.15 1de3 h GLY 45 N 2.25 -1.33 0.89 4.40 0.00 -1.51 -0.53 103.07 107.23 1de3 h GLY 45 Ca -0.29 0.59 0.00 0.00 0.00 0.00 0.00 47.33 47.64 1de3 h GLY 45 CO 0.40 -0.48 0.00 -1.26 0.00 0.00 0.00 176.54 175.20 1de3 n SER 46 N -2.91 0.00 0.00 0.19 2.88 0.11 -3.96 113.62 109.93 1de3 n SER 46 Ca -0.01 -0.61 0.00 0.00 -1.33 0.00 0.00 58.87 56.92 1de3 n SER 46 Cb 0.06 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.52 1de3 n SER 46 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1de3 n SER 47 N -0.94 0.00 -4.69 -3.46 3.41 -0.21 -5.01 113.62 102.72 1de3 n SER 47 Ca 0.12 0.00 -0.40 0.00 -0.26 0.00 0.00 58.87 58.32 1de3 n SER 47 Cb 0.05 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 64.02 1de3 n SER 47 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1de3 n TYR 48 N 0.00 1.93 -2.70 7.33 4.01 -1.26 -2.33 117.16 124.13 1de3 n TYR 48 Ca 0.00 0.49 -0.42 0.00 -0.16 0.00 0.00 57.90 57.80 1de3 n TYR 48 Cb 0.00 -2.34 -0.03 0.00 -0.31 0.00 0.00 39.34 36.67 1de3 n TYR 48 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 1de3 s PRO 49 N -2.34 4.38 0.00 -0.72 0.04 -1.26 -4.46 135.00 130.63 1de3 s PRO 49 Ca 0.64 1.35 -0.15 0.00 0.04 0.00 0.00 61.00 62.88 1de3 s PRO 49 Cb -0.49 -3.56 -0.06 0.00 0.04 0.00 0.00 34.50 30.43 1de3 s PRO 49 CO 0.55 -0.38 0.41 -3.38 0.04 0.00 0.00 177.00 174.25 1de3 s HIS 50 N 2.25 3.73 0.38 0.56 -3.43 -0.79 -2.89 115.29 115.11 1de3 s HIS 50 Ca 0.47 0.99 -0.25 0.00 -0.80 0.00 0.00 55.06 55.47 1de3 s HIS 50 Cb -0.17 -2.29 -0.12 0.00 -1.43 0.00 0.00 32.58 28.56 1de3 s HIS 50 CO 0.15 0.64 0.83 1.87 -2.00 0.00 0.00 174.74 176.24 1de3 n TRP 51 N 1.82 0.55 -3.87 0.38 -0.00 -1.26 -0.06 117.44 115.00 1de3 n TRP 51 Ca -0.14 0.62 -0.35 0.00 -0.00 0.00 0.00 57.50 57.64 1de3 n TRP 51 Cb 0.52 -2.14 -0.13 0.00 -0.00 0.00 0.00 31.31 29.56 1de3 n TRP 51 CO 0.00 0.00 0.00 0.12 -0.00 0.00 0.00 177.69 177.81 1de3 s PHE 52 N -1.28 3.50 0.26 5.87 5.36 0.20 -4.61 117.98 127.28 1de3 s PHE 52 Ca 0.62 -2.33 0.10 0.00 -0.96 0.00 0.00 56.93 54.37 1de3 s PHE 52 Cb -0.62 -2.75 0.84 0.00 -0.34 0.00 0.00 43.02 40.16 1de3 s PHE 52 CO 0.58 -0.91 1.20 0.25 -1.46 0.00 0.00 175.22 174.88 1de3 n THR 53 N 4.54 -0.32 -3.54 0.12 -2.24 -1.26 -4.39 114.28 107.19 1de3 n THR 53 Ca -0.05 1.60 -0.26 0.00 -2.27 0.00 0.00 64.05 63.06 1de3 n THR 53 Cb 0.42 -2.48 0.01 0.00 -2.10 0.00 0.00 70.33 66.18 1de3 n THR 53 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1de3 n ASN 54 N -4.86 -4.29 0.00 3.42 5.15 -1.26 -0.27 115.26 113.15 1de3 n ASN 54 Ca 0.24 -0.53 0.00 0.00 -0.60 0.00 0.00 54.58 53.69 1de3 n ASN 54 Cb 0.82 -3.50 0.00 0.00 -0.53 0.00 0.00 39.78 36.57 1de3 n ASN 54 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1de3 n GLY 55 N -1.37 2.30 3.86 8.20 0.00 -1.26 -3.70 105.19 113.21 1de3 n GLY 55 Ca -0.00 -0.51 -0.31 0.00 0.00 0.00 0.00 46.02 45.19 1de3 n GLY 55 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1de3 s TYR 56 N -0.42 3.48 0.00 1.61 1.51 0.63 -3.83 117.35 120.32 1de3 s TYR 56 Ca 0.00 1.32 0.00 0.00 -1.01 0.00 0.00 57.07 57.38 1de3 s TYR 56 Cb 0.00 -2.68 0.00 0.00 -0.11 0.00 0.00 41.96 39.17 1de3 s TYR 56 CO 0.00 -0.33 0.00 -3.47 -1.11 0.00 0.00 175.55 170.64 1de3 n ASP 57 N -1.64 0.00 0.33 2.29 2.03 0.26 -4.27 116.55 115.54 1de3 n ASP 57 Ca 0.05 -0.63 0.19 0.00 0.52 0.00 0.00 54.79 54.92 1de3 n ASP 57 Cb 0.54 0.00 1.01 0.00 -0.72 0.00 0.00 41.12 41.95 1de3 n ASP 57 CO 0.00 0.00 0.00 1.23 -1.92 0.00 0.00 177.20 176.51 1de3 h GLY 58 N 0.00 0.00 0.00 0.27 0.00 -1.88 -3.35 103.07 98.11 1de3 h GLY 58 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1de3 h GLY 58 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 176.54 177.76 1de3 n ASP 59 N -3.04 0.00 -1.88 0.19 8.00 -1.26 -2.15 116.55 116.41 1de3 n ASP 59 Ca -0.02 0.00 -0.01 0.00 0.71 0.00 0.00 54.79 55.47 1de3 n ASP 59 Cb 0.23 0.00 0.04 0.00 -0.02 0.00 0.00 41.12 41.38 1de3 n ASP 59 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1de3 n GLY 60 N 3.56 0.11 3.55 0.44 0.00 -1.26 -4.29 105.19 107.30 1de3 n GLY 60 Ca 0.00 -0.06 -0.34 0.00 0.00 0.00 0.00 46.02 45.62 1de3 n GLY 60 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1de3 s LYS 61 N 0.05 3.02 0.33 1.61 1.02 -1.26 -4.78 119.74 119.72 1de3 s LYS 61 Ca 0.03 -0.55 0.08 0.00 0.02 0.00 0.00 55.97 55.56 1de3 s LYS 61 Cb 0.16 -2.68 -0.04 0.00 -0.52 0.00 0.00 37.83 34.75 1de3 s LYS 61 CO -0.05 0.53 0.13 -0.51 -0.92 0.00 0.00 175.35 174.54 1de3 s LEU 62 N -0.45 3.28 0.00 3.17 1.43 -1.26 0.91 118.68 125.76 1de3 s LEU 62 Ca 0.07 -0.73 0.00 0.00 -1.03 0.00 0.00 54.13 52.43 1de3 s LEU 62 Cb -0.12 -1.76 0.00 0.00 0.03 0.00 0.00 46.19 44.34 1de3 s LEU 62 CO 0.02 -0.25 0.02 -0.81 0.23 0.00 0.00 176.35 175.56 1de3 n PRO 63 N -1.12 0.00 -1.25 1.29 -0.04 -1.25 -4.40 135.00 128.23 1de3 n PRO 63 Ca -0.04 0.00 -0.39 0.00 -0.04 0.00 0.00 63.50 63.04 1de3 n PRO 63 Cb 0.61 -0.24 -0.03 0.00 -0.04 0.00 0.00 33.50 33.80 1de3 n PRO 63 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1de3 n LYS 64 N -0.05 2.20 0.00 0.54 4.81 -1.26 -4.55 118.16 119.85 1de3 n LYS 64 Ca 0.00 -2.02 0.00 0.00 -0.87 0.00 0.00 58.31 55.42 1de3 n LYS 64 Cb 0.00 -2.92 0.00 0.00 0.02 0.00 0.00 35.03 32.13 1de3 n LYS 64 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1de3 n GLY 65 N 4.18 0.97 3.15 3.14 0.00 -1.26 -4.21 105.19 111.15 1de3 n GLY 65 Ca 0.52 -0.01 0.05 0.00 0.00 0.00 0.00 46.02 46.58 1de3 n GLY 65 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1de3 s ARG 66 N 0.00 0.20 -0.51 1.61 0.52 -1.26 -4.25 118.95 115.25 1de3 s ARG 66 Ca 0.00 0.21 0.07 0.00 -0.52 0.00 0.00 55.73 55.49 1de3 s ARG 66 Cb 0.00 0.10 0.35 0.00 0.52 0.00 0.00 34.95 35.92 1de3 s ARG 66 CO 0.00 -0.35 0.91 2.41 0.02 0.00 0.00 175.30 178.29 1de3 n THR 67 N 5.19 2.13 -2.70 0.02 -1.04 -1.26 -5.02 114.28 111.59 1de3 n THR 67 Ca 0.07 -5.20 -0.39 0.00 -2.04 0.00 0.00 64.05 56.49 1de3 n THR 67 Cb 0.57 -1.03 -0.06 0.00 -1.82 0.00 0.00 70.33 67.99 1de3 n THR 67 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1de3 s PRO 68 N -3.20 4.67 -0.11 -2.82 0.04 -1.26 -4.41 135.00 127.91 1de3 s PRO 68 Ca 0.46 1.49 -0.29 0.00 0.04 0.00 0.00 61.00 62.69 1de3 s PRO 68 Cb 0.31 -3.04 -0.03 0.00 0.04 0.00 0.00 34.50 31.78 1de3 s PRO 68 CO -0.12 0.33 1.41 0.42 0.04 0.00 0.00 177.00 179.08 1de3 s ILE 69 N -1.37 4.00 -0.39 0.56 1.01 -1.24 -4.97 121.20 118.79 1de3 s ILE 69 Ca 0.46 1.22 -0.26 0.00 0.00 0.00 0.00 60.65 62.07 1de3 s ILE 69 Cb -0.24 -3.79 0.02 0.00 0.01 0.00 0.00 42.46 38.46 1de3 s ILE 69 CO 0.30 -0.10 0.95 -0.75 0.00 0.00 0.00 174.94 175.35 1de3 s LYS 70 N 3.58 3.79 -0.12 2.79 2.20 -1.26 -4.78 119.74 125.94 1de3 s LYS 70 Ca 0.62 0.53 0.11 0.00 -0.36 0.00 0.00 55.97 56.87 1de3 s LYS 70 Cb -0.26 -3.83 -0.24 0.00 -1.51 0.00 0.00 37.83 31.99 1de3 s LYS 70 CO 0.21 -1.04 0.38 1.19 -0.36 0.00 0.00 175.35 175.73 1de3 n PHE 71 N 6.95 0.65 0.00 4.03 3.72 -1.26 -4.90 117.46 126.64 1de3 n PHE 71 Ca 0.08 0.21 0.00 0.00 -0.05 0.00 0.00 57.45 57.69 1de3 n PHE 71 Cb 0.48 -1.11 0.00 0.00 -0.94 0.00 0.00 39.48 37.91 1de3 n PHE 71 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1de3 n GLY 72 N 1.72 1.69 3.60 1.37 0.00 -1.26 -4.84 105.19 107.47 1de3 n GLY 72 Ca -0.26 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.48 1de3 n GLY 72 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1de3 s LYS 73 N -0.06 2.00 -0.01 1.61 1.02 -1.26 -5.07 119.74 117.97 1de3 s LYS 73 Ca 0.00 -2.23 0.10 0.00 0.02 0.00 0.00 55.97 53.86 1de3 s LYS 73 Cb 0.00 -1.01 -0.15 0.00 -0.52 0.00 0.00 37.83 36.15 1de3 s LYS 73 CO 0.00 -0.39 0.24 0.45 -0.92 0.00 0.00 175.35 174.73 1de3 n SER 74 N -1.22 2.49 0.00 2.83 2.88 -1.26 -3.93 113.62 115.41 1de3 n SER 74 Ca -0.10 -0.07 -0.16 0.00 -1.33 0.00 0.00 58.87 57.21 1de3 n SER 74 Cb 0.66 1.42 -0.14 0.00 -0.75 0.00 0.00 64.21 65.40 1de3 n SER 74 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 1de3 h ASP 75 N 0.00 0.26 0.42 -3.46 5.19 -1.97 -1.81 116.42 115.04 1de3 h ASP 75 Ca 0.00 -0.56 -0.17 0.00 -0.62 0.00 0.00 57.03 55.68 1de3 h ASP 75 Cb 0.44 -0.08 -0.01 0.00 0.18 0.00 0.00 39.33 39.86 1de3 h ASP 75 CO 0.00 1.50 -0.73 0.00 -3.12 0.00 0.00 179.24 176.88 1de3 h ASP 77 N 0.17 0.00 -4.04 0.00 3.58 -1.68 -3.47 116.42 110.98 1de3 h ASP 77 Ca -0.03 -0.00 -0.52 0.00 0.42 0.00 0.00 57.03 56.90 1de3 h ASP 77 Cb 1.30 0.00 0.20 0.00 1.72 0.00 0.00 39.33 42.55 1de3 h ASP 77 CO 0.12 0.00 0.05 0.54 -2.88 0.00 0.00 179.24 177.07 1de3 n ARG 78 N -2.79 -0.54 -2.08 0.28 1.74 -0.68 -4.92 116.66 107.68 1de3 n ARG 78 Ca 0.04 -0.10 -0.43 0.00 -0.77 0.00 0.00 57.85 56.60 1de3 n ARG 78 Cb 0.50 -2.27 -0.03 0.00 -1.02 0.00 0.00 32.46 29.65 1de3 n ARG 78 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1de3 s PRO 79 N -4.43 3.82 -0.74 5.56 0.04 -1.26 -4.94 135.00 133.05 1de3 s PRO 79 Ca 0.65 1.74 -0.26 0.00 0.04 0.00 0.00 61.00 63.17 1de3 s PRO 79 Cb -0.23 -4.04 -0.00 0.00 0.04 0.00 0.00 34.50 30.27 1de3 s PRO 79 CO 0.60 -1.27 1.65 -1.25 0.04 0.00 0.00 177.00 176.78 1de3 s PRO 80 N 4.65 2.89 -1.36 0.56 0.04 -1.26 -4.84 135.00 135.68 1de3 s PRO 80 Ca 0.73 0.03 -0.16 0.00 0.04 0.00 0.00 61.00 61.64 1de3 s PRO 80 Cb -0.26 -4.53 0.04 0.00 0.04 0.00 0.00 34.50 29.79 1de3 s PRO 80 CO 0.29 -2.60 2.00 1.17 0.04 0.00 0.00 177.00 177.91 1de3 n LYS 81 N 9.17 2.92 -2.74 4.56 4.81 -1.26 -4.28 118.16 131.34 1de3 n LYS 81 Ca 0.19 -2.86 -0.41 0.00 -0.87 0.00 0.00 58.31 54.36 1de3 n LYS 81 Cb 0.50 -3.38 -0.04 0.00 0.02 0.00 0.00 35.03 32.13 1de3 n LYS 81 CO 0.00 0.00 0.00 -1.58 1.17 0.00 0.00 177.40 176.99 1de3 s HIS 82 N 3.91 3.81 0.00 5.64 5.65 -0.91 -4.01 115.29 129.37 1de3 s HIS 82 Ca 0.51 1.79 0.00 0.00 0.25 0.00 0.00 55.06 57.61 1de3 s HIS 82 Cb 0.09 -3.05 0.00 0.00 -1.18 0.00 0.00 32.58 28.44 1de3 s HIS 82 CO -0.00 0.21 0.00 0.43 -0.65 0.00 0.00 174.74 174.73 1de3 n SER 83 N 2.78 0.00 0.25 9.88 7.64 -1.26 -4.59 113.62 128.32 1de3 n SER 83 Ca 0.02 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 59.78 1de3 n SER 83 Cb 0.49 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.63 1de3 n SER 83 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 1de3 h LYS 84 N 0.00 -0.66 -0.57 1.43 1.57 -1.97 -3.32 116.57 113.04 1de3 h LYS 84 Ca 0.00 0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 1de3 h LYS 84 Cb 0.00 0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.46 1de3 h LYS 84 CO 0.00 -0.39 0.00 -0.40 -0.57 0.00 0.00 179.45 178.09 1de3 n ASP 85 N -5.24 5.32 -3.89 0.86 5.68 -1.26 -4.92 116.55 113.09 1de3 n ASP 85 Ca -0.09 -2.80 -0.26 0.00 -0.50 0.00 0.00 54.79 51.14 1de3 n ASP 85 Cb 0.30 -0.64 0.00 0.00 -1.14 0.00 0.00 41.12 39.64 1de3 n ASP 85 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1de3 n GLY 86 N 0.67 -0.30 2.89 6.12 0.00 -1.25 -3.15 105.19 110.17 1de3 n GLY 86 Ca 0.27 0.15 -0.06 0.00 0.00 0.00 0.00 46.02 46.37 1de3 n GLY 86 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1de3 s ASN 87 N -4.13 -0.89 0.00 1.61 2.47 -1.26 -4.02 114.94 108.73 1de3 s ASN 87 Ca 0.16 -1.50 0.00 0.00 0.42 0.00 0.00 52.86 51.94 1de3 s ASN 87 Cb -0.08 1.54 0.00 0.00 -1.45 0.00 0.00 41.25 41.26 1de3 s ASN 87 CO 0.86 -0.13 0.00 0.61 -3.72 0.00 0.00 177.10 174.72 1de3 n GLY 88 N 3.62 1.74 0.19 1.21 0.00 -1.26 -4.91 105.19 105.78 1de3 n GLY 88 Ca 0.16 -1.82 -0.10 0.00 0.00 0.00 0.00 46.02 44.26 1de3 n GLY 88 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1de3 h LYS 89 N 0.00 0.49 -0.04 1.61 1.63 -2.00 -3.38 116.57 114.88 1de3 h LYS 89 Ca 0.00 -0.36 -0.17 0.00 -0.85 0.00 0.00 60.65 59.27 1de3 h LYS 89 Cb 0.00 0.06 -0.17 0.00 -0.60 0.00 0.00 32.23 31.52 1de3 h LYS 89 CO 0.00 0.99 -0.36 0.25 -3.45 0.00 0.00 179.45 176.87 1de3 n THR 90 N -3.89 0.11 -1.52 1.00 -2.24 -1.26 -5.12 114.28 101.36 1de3 n THR 90 Ca -0.04 -0.98 -0.62 0.00 -2.27 0.00 0.00 64.05 60.15 1de3 n THR 90 Cb 0.67 0.93 -0.10 0.00 -2.10 0.00 0.00 70.33 69.73 1de3 n THR 90 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1de3 n ASP 91 N -1.13 1.32 -2.65 3.42 9.92 -1.26 -4.85 116.55 121.32 1de3 n ASP 91 Ca -0.17 0.90 -0.28 0.00 -0.53 0.00 0.00 54.79 54.70 1de3 n ASP 91 Cb 0.85 -0.97 -0.01 0.00 -0.64 0.00 0.00 41.12 40.35 1de3 n ASP 91 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1de3 n HIS 92 N 6.16 3.53 -2.95 1.24 1.44 -1.26 -4.29 115.22 119.10 1de3 n HIS 92 Ca 0.41 -3.27 -0.24 0.00 -2.01 0.00 0.00 57.72 52.61 1de3 n HIS 92 Cb 0.01 -0.28 0.01 0.00 0.12 0.00 0.00 29.99 29.85 1de3 n HIS 92 CO 0.00 0.00 0.00 1.52 -2.81 0.00 0.00 176.34 175.05 1de3 s TYR 93 N -3.58 3.28 -0.39 -1.40 1.13 -1.26 -4.10 117.35 111.03 1de3 s TYR 93 Ca 0.48 0.32 -0.17 0.00 -1.41 0.00 0.00 57.07 56.29 1de3 s TYR 93 Cb 0.37 -2.31 0.01 0.00 -1.10 0.00 0.00 41.96 38.93 1de3 s TYR 93 CO -0.19 -0.35 0.46 -0.51 -2.51 0.00 0.00 175.55 172.46 1de3 s LEU 94 N -4.58 4.59 0.74 -3.49 1.43 -1.26 -3.56 118.68 112.54 1de3 s LEU 94 Ca 0.48 -0.36 -0.08 0.00 -1.03 0.00 0.00 54.13 53.13 1de3 s LEU 94 Cb -0.10 -2.46 0.07 0.00 0.03 0.00 0.00 46.19 43.73 1de3 s LEU 94 CO 0.39 -0.52 1.07 -0.76 0.23 0.00 0.00 176.35 176.75 1de3 s LEU 95 N 2.25 2.73 -0.07 1.79 1.02 -0.48 0.61 118.68 126.53 1de3 s LEU 95 Ca 0.15 0.52 -0.04 0.00 0.02 0.00 0.00 54.13 54.78 1de3 s LEU 95 Cb -0.16 -3.11 0.03 0.00 0.02 0.00 0.00 46.19 42.96 1de3 s LEU 95 CO 0.14 -1.71 0.16 -0.70 0.02 0.00 0.00 176.35 174.25 1de3 s GLU 96 N -5.35 0.14 0.01 1.70 2.12 0.91 -3.46 118.70 114.77 1de3 s GLU 96 Ca 0.61 0.31 0.03 0.00 0.36 0.00 0.00 54.97 56.29 1de3 s GLU 96 Cb -0.11 -0.05 -0.01 0.00 0.26 0.00 0.00 34.13 34.22 1de3 s GLU 96 CO 0.46 -0.10 -0.10 0.12 -0.54 0.00 0.00 175.26 175.10 1de3 s PHE 97 N 0.69 0.88 -0.64 5.30 2.19 -0.86 -1.88 117.98 123.66 1de3 s PHE 97 Ca -0.05 -0.23 -0.27 0.00 0.33 0.00 0.00 56.93 56.71 1de3 s PHE 97 Cb -0.07 -0.55 -0.00 0.00 -1.31 0.00 0.00 43.02 41.09 1de3 s PHE 97 CO -0.03 -0.01 1.65 -1.25 1.83 0.00 0.00 175.22 177.40 1de3 s PRO 98 N -0.57 2.87 -0.37 10.12 0.04 -1.26 -0.70 135.00 145.13 1de3 s PRO 98 Ca 0.02 0.35 -0.19 0.00 0.04 0.00 0.00 61.00 61.22 1de3 s PRO 98 Cb -0.05 -4.30 0.00 0.00 0.04 0.00 0.00 34.50 30.19 1de3 s PRO 98 CO 0.00 -2.48 0.55 -0.08 0.04 0.00 0.00 177.00 175.04 1de3 s THR 99 N 7.77 4.97 0.46 1.26 -1.32 -1.21 -4.72 115.64 122.85 1de3 s THR 99 Ca 0.56 0.31 -0.16 0.00 -1.21 0.00 0.00 61.69 61.19 1de3 s THR 99 Cb -0.11 -4.03 -0.08 0.00 -1.51 0.00 0.00 72.50 66.77 1de3 s THR 99 CO 0.19 -0.31 0.92 -0.36 -2.21 0.00 0.00 174.62 172.86 1de3 s PHE 100 N 2.51 3.42 -0.04 9.09 0.40 -1.26 -4.68 117.98 127.41 1de3 s PHE 100 Ca 0.20 1.41 -0.24 0.00 -0.60 0.00 0.00 56.93 57.70 1de3 s PHE 100 Cb -0.15 -2.72 -0.23 0.00 0.51 0.00 0.00 43.02 40.43 1de3 s PHE 100 CO 0.14 -0.23 1.06 -1.00 0.70 0.00 0.00 175.22 175.89 1de3 h PRO 101 N 1.31 0.20 -0.91 0.24 0.13 -1.93 -3.26 132.00 127.78 1de3 h PRO 101 Ca -0.47 -0.20 0.25 0.00 -0.87 0.00 0.00 66.00 64.70 1de3 h PRO 101 Cb 1.18 0.06 -0.14 0.00 0.13 0.00 0.00 31.00 32.23 1de3 h PRO 101 CO 0.62 0.92 0.37 0.22 -0.23 0.00 0.00 178.00 179.91 1de3 h ASP 102 N -0.44 0.25 0.00 1.44 3.58 -1.96 -3.44 116.42 115.85 1de3 h ASP 102 Ca -0.03 0.18 0.00 0.00 0.42 0.00 0.00 57.03 57.59 1de3 h ASP 102 Cb 1.01 0.18 0.00 0.00 1.72 0.00 0.00 39.33 42.24 1de3 h ASP 102 CO 0.05 -0.08 0.00 0.61 -2.88 0.00 0.00 179.24 176.94 1de3 n GLY 103 N -1.34 1.22 3.58 -0.78 0.00 -1.23 -5.08 105.19 101.56 1de3 n GLY 103 Ca 0.24 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.84 1de3 n GLY 103 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1de3 s HIS 104 N -2.00 3.15 -0.94 1.61 -3.43 -1.26 -4.95 115.29 107.47 1de3 s HIS 104 Ca 0.00 0.48 -0.24 0.00 -0.80 0.00 0.00 55.06 54.51 1de3 s HIS 104 Cb 0.00 -3.22 -0.21 0.00 -1.43 0.00 0.00 32.58 27.72 1de3 s HIS 104 CO 0.00 -0.64 2.02 -0.40 -2.00 0.00 0.00 174.74 173.71 1de3 n ASP 105 N 6.17 0.95 -3.90 7.38 5.68 -1.26 -4.53 116.55 127.04 1de3 n ASP 105 Ca 0.01 -2.27 -0.50 0.00 -0.50 0.00 0.00 54.79 51.53 1de3 n ASP 105 Cb 0.48 -1.59 -0.06 0.00 -1.14 0.00 0.00 41.12 38.81 1de3 n ASP 105 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1de3 n TYR 106 N 18.07 0.42 -1.53 2.11 9.36 -1.26 -4.65 117.16 139.68 1de3 n TYR 106 Ca 0.37 0.91 -0.13 0.00 3.32 0.00 0.00 57.90 62.37 1de3 n TYR 106 Cb 0.47 -1.80 -0.10 0.00 -0.63 0.00 0.00 39.34 37.28 1de3 n TYR 106 CO 0.00 0.00 0.00 0.36 0.22 0.00 0.00 176.86 177.44 1de3 n LYS 107 N 1.24 0.24 0.05 2.98 0.00 -1.26 -4.67 118.16 116.74 1de3 n LYS 107 Ca 0.17 -1.25 0.14 0.00 -0.00 0.00 0.00 58.31 57.37 1de3 n LYS 107 Cb 0.09 -3.58 0.51 0.00 -0.00 0.00 0.00 35.03 32.05 1de3 n LYS 107 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.40 179.37 1de3 n PHE 108 N 18.15 0.44 1.05 5.58 1.16 -1.26 -2.74 117.46 139.84 1de3 n PHE 108 Ca 0.41 0.13 0.12 0.00 -1.87 0.00 0.00 57.45 56.24 1de3 n PHE 108 Cb 0.45 -0.71 0.19 0.00 -1.61 0.00 0.00 39.48 37.80 1de3 n PHE 108 CO 0.00 0.00 0.00 -0.40 -1.87 0.00 0.00 176.76 174.49 1de3 n ASP 109 N -1.86 0.79 -4.46 5.98 5.75 -1.26 0.07 116.55 121.55 1de3 n ASP 109 Ca 0.06 -0.59 -0.43 0.00 -0.01 0.00 0.00 54.79 53.82 1de3 n ASP 109 Cb 0.38 0.38 -0.03 0.00 -1.03 0.00 0.00 41.12 40.82 1de3 n ASP 109 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 1de3 s SER 110 N -2.87 6.48 0.06 -1.12 0.15 -1.11 -3.24 113.70 112.06 1de3 s SER 110 Ca 0.14 -1.68 -0.36 0.00 0.70 0.00 0.00 55.95 54.75 1de3 s SER 110 Cb 0.18 -2.42 -0.19 0.00 -1.71 0.00 0.00 66.02 61.88 1de3 s SER 110 CO 0.69 -1.21 1.54 0.50 1.20 0.00 0.00 173.24 175.95 1de3 h LYS 111 N 9.14 -1.17 -3.69 5.44 3.64 -1.88 -3.24 116.57 124.81 1de3 h LYS 111 Ca 0.03 0.08 -0.44 0.00 -1.27 0.00 0.00 60.65 59.05 1de3 h LYS 111 Cb 1.04 0.27 -0.38 0.00 -0.41 0.00 0.00 32.23 32.74 1de3 h LYS 111 CO 1.16 -0.78 -0.77 -1.59 -2.27 0.00 0.00 179.45 175.20 1de3 s LYS 112 N -5.81 0.61 0.84 1.90 -2.85 -1.26 -3.73 119.74 109.44 1de3 s LYS 112 Ca -0.19 0.08 -0.14 0.00 -1.00 0.00 0.00 55.97 54.72 1de3 s LYS 112 Cb 0.02 -1.04 0.20 0.00 -2.06 0.00 0.00 37.83 34.95 1de3 s LYS 112 CO 0.57 -0.32 1.02 -0.35 0.10 0.00 0.00 175.35 176.37 1de3 n PRO 113 N 5.14 -1.49 -3.23 1.78 -0.04 -1.26 -5.18 135.00 130.72 1de3 n PRO 113 Ca -0.07 -1.60 -0.02 0.00 -0.04 0.00 0.00 63.50 61.77 1de3 n PRO 113 Cb 0.50 -1.16 -0.04 0.00 -0.04 0.00 0.00 33.50 32.76 1de3 n PRO 113 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 1de3 s LYS 114 N -5.26 0.48 0.43 0.54 2.20 -1.24 -4.72 119.74 112.17 1de3 s LYS 114 Ca 0.60 0.60 -0.25 0.00 -0.36 0.00 0.00 55.97 56.56 1de3 s LYS 114 Cb -0.03 0.05 -0.08 0.00 -1.51 0.00 0.00 37.83 36.26 1de3 s LYS 114 CO 0.43 -0.81 1.33 -2.00 -0.36 0.00 0.00 175.35 173.94 1de3 s GLU 115 N 2.71 3.82 0.36 4.03 2.12 -1.26 -4.97 118.70 125.51 1de3 s GLU 115 Ca 0.14 2.20 -0.26 0.00 0.36 0.00 0.00 54.97 57.41 1de3 s GLU 115 Cb -0.13 -2.67 -0.12 0.00 0.26 0.00 0.00 34.13 31.47 1de3 s GLU 115 CO -0.23 -0.63 1.08 -1.71 -0.54 0.00 0.00 175.26 173.23 1de3 n ASN 116 N -0.09 1.65 -2.96 -1.70 5.15 -1.26 -4.99 115.26 111.07 1de3 n ASN 116 Ca 0.05 1.12 0.00 0.00 -0.60 0.00 0.00 54.58 55.15 1de3 n ASN 116 Cb 0.44 -1.37 0.00 0.00 -0.53 0.00 0.00 39.78 38.32 1de3 n ASN 116 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 1de3 n PRO 117 N 0.43 0.24 -3.83 1.20 -0.04 -1.26 -5.10 135.00 126.64 1de3 n PRO 117 Ca 0.08 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.32 1de3 n PRO 117 Cb 0.36 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.77 1de3 n PRO 117 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1de3 s GLY 118 N -1.69 2.18 -0.01 0.55 0.00 -1.26 -5.07 107.32 102.02 1de3 s GLY 118 Ca 0.00 -1.96 -0.22 0.00 0.00 0.00 0.00 44.72 42.54 1de3 s GLY 118 CO 0.00 -1.78 1.15 -0.56 0.00 0.00 0.00 173.10 171.91 1de3 h PRO 119 N 1.23 0.27 -6.34 2.90 0.13 -1.92 -3.44 132.00 124.83 1de3 h PRO 119 Ca -0.42 -0.23 -0.54 0.00 -0.87 0.00 0.00 66.00 63.94 1de3 h PRO 119 Cb 1.26 0.05 -0.04 0.00 0.13 0.00 0.00 31.00 32.40 1de3 h PRO 119 CO 0.63 0.88 0.13 0.00 -0.23 0.00 0.00 178.00 179.41 1de3 s ALA 120 N -3.54 3.42 0.01 -0.56 0.00 -1.26 -3.14 121.76 116.69 1de3 s ALA 120 Ca -0.15 0.26 0.02 0.00 0.00 0.00 0.00 51.96 52.09 1de3 s ALA 120 Cb 0.03 -2.93 -0.01 0.00 0.00 0.00 0.00 23.12 20.21 1de3 s ALA 120 CO 0.76 0.17 -0.06 1.03 0.00 0.00 0.00 175.76 177.66 1de3 s ARG 121 N -0.49 0.46 0.25 0.00 1.81 0.17 -3.34 118.95 117.81 1de3 s ARG 121 Ca 0.36 -0.34 -0.29 0.00 -1.72 0.00 0.00 55.73 53.74 1de3 s ARG 121 Cb -0.21 -0.39 -0.09 0.00 -0.45 0.00 0.00 34.95 33.81 1de3 s ARG 121 CO 0.23 0.10 0.93 0.54 -0.68 0.00 0.00 175.30 176.42 1de3 s VAL 122 N -0.46 4.11 0.01 3.52 0.11 0.12 -0.74 120.40 127.07 1de3 s VAL 122 Ca -0.01 2.03 0.07 0.00 -2.93 0.00 0.00 61.98 61.14 1de3 s VAL 122 Cb -0.04 -4.27 -0.02 0.00 -1.53 0.00 0.00 36.38 30.52 1de3 s VAL 122 CO -0.00 0.45 -0.21 -0.63 -3.33 0.00 0.00 175.10 171.37 1de3 s ILE 123 N -1.25 1.70 -0.25 7.04 -1.09 -0.35 -2.02 121.20 124.98 1de3 s ILE 123 Ca 0.42 -1.03 -0.27 0.00 -2.23 0.00 0.00 60.65 57.54 1de3 s ILE 123 Cb -0.25 -1.44 0.14 0.00 -1.58 0.00 0.00 42.46 39.33 1de3 s ILE 123 CO 0.30 0.38 1.09 -0.72 -1.23 0.00 0.00 174.94 174.77 1de3 s TYR 124 N -0.62 -0.36 0.00 3.97 1.13 -1.23 -2.11 117.35 118.13 1de3 s TYR 124 Ca 0.08 0.80 0.00 0.00 -1.41 0.00 0.00 57.07 56.54 1de3 s TYR 124 Cb -0.08 0.41 0.00 0.00 -1.10 0.00 0.00 41.96 41.19 1de3 s TYR 124 CO 0.00 -0.23 0.00 0.25 -2.51 0.00 0.00 175.55 173.07 1de3 n THR 125 N 1.58 0.00 -3.63 -3.49 -2.24 -1.26 -1.38 114.28 103.87 1de3 n THR 125 Ca -0.11 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.60 1de3 n THR 125 Cb 0.57 -1.15 -0.06 0.00 -2.10 0.00 0.00 70.33 67.59 1de3 n THR 125 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1de3 s TYR 126 N -0.44 -0.34 -2.00 4.78 5.04 -1.23 -2.14 117.35 121.03 1de3 s TYR 126 Ca 0.00 0.76 0.22 0.00 -2.44 0.00 0.00 57.07 55.61 1de3 s TYR 126 Cb 0.00 0.41 1.31 0.00 0.35 0.00 0.00 41.96 44.04 1de3 s TYR 126 CO 0.00 -0.20 1.73 -0.35 -1.34 0.00 0.00 175.55 175.40 1de3 n PRO 127 N 1.66 0.81 -0.16 4.97 -0.04 -1.26 -4.32 135.00 136.66 1de3 n PRO 127 Ca -0.11 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.32 1de3 n PRO 127 Cb 0.57 -1.43 0.03 0.00 -0.04 0.00 0.00 33.50 32.63 1de3 n PRO 127 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 1de3 h ASN 128 N 0.00 -0.51 -2.85 3.54 2.35 -1.95 -3.45 115.58 112.70 1de3 h ASN 128 Ca 0.00 0.15 -0.39 0.00 -0.55 0.00 0.00 56.30 55.51 1de3 h ASN 128 Cb 0.00 0.33 -0.04 0.00 0.05 0.00 0.00 38.32 38.66 1de3 h ASN 128 CO 0.00 -0.18 -0.48 0.29 -1.65 0.00 0.00 177.43 175.41 1de3 n LYS 129 N -5.37 -1.73 -2.19 0.81 5.02 -0.91 -4.86 118.16 108.93 1de3 n LYS 129 Ca 0.04 0.98 -0.32 0.00 -2.02 0.00 0.00 58.31 56.99 1de3 n LYS 129 Cb 0.27 -5.59 -0.05 0.00 -0.02 0.00 0.00 35.03 29.65 1de3 n LYS 129 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1de3 s VAL 130 N -2.93 3.67 -0.09 -0.18 1.01 -1.26 -4.64 120.40 115.98 1de3 s VAL 130 Ca 0.00 -1.08 -0.32 0.00 0.00 0.00 0.00 61.98 60.58 1de3 s VAL 130 Cb 0.00 -4.67 -0.15 0.00 0.00 0.00 0.00 36.38 31.56 1de3 s VAL 130 CO 0.00 -1.24 0.92 0.33 0.00 0.00 0.00 175.10 175.11 1de3 n PHE 131 N 12.88 0.70 -0.09 5.22 -0.00 -1.26 -4.03 117.46 130.88 1de3 n PHE 131 Ca 0.45 0.83 -0.10 0.00 -0.00 0.00 0.00 57.45 58.63 1de3 n PHE 131 Cb 0.47 -1.63 -0.03 0.00 -0.00 0.00 0.00 39.48 38.28 1de3 n PHE 131 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1de3 n GLY 133 N 1.57 1.29 3.30 0.00 0.00 -1.24 -4.95 105.19 105.16 1de3 n GLY 133 Ca -0.16 -0.86 -0.29 0.00 0.00 0.00 0.00 46.02 44.70 1de3 n GLY 133 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1de3 s ILE 134 N -2.49 1.96 0.02 -0.61 1.09 -1.26 -1.22 121.20 118.69 1de3 s ILE 134 Ca 0.00 -1.16 0.06 0.00 -1.10 0.00 0.00 60.65 58.45 1de3 s ILE 134 Cb 0.00 -1.65 -0.02 0.00 -1.06 0.00 0.00 42.46 39.73 1de3 s ILE 134 CO 0.00 0.46 -0.18 0.27 -0.10 0.00 0.00 174.94 175.39 1de3 s ILE 135 N -0.66 1.42 0.11 2.92 -5.25 0.08 0.52 121.20 120.33 1de3 s ILE 135 Ca 0.10 -0.99 -0.01 0.00 -0.99 0.00 0.00 60.65 58.76 1de3 s ILE 135 Cb -0.09 -1.22 -0.04 0.00 2.95 0.00 0.00 42.46 44.05 1de3 s ILE 135 CO 0.00 0.21 0.03 0.00 -1.79 0.00 0.00 174.94 173.39 1de3 s ALA 136 N -0.68 0.76 -0.21 2.27 0.00 -0.08 0.43 121.76 124.26 1de3 s ALA 136 Ca 0.06 -1.40 -0.24 0.00 0.00 0.00 0.00 51.96 50.38 1de3 s ALA 136 Cb -0.08 0.69 -0.01 0.00 0.00 0.00 0.00 23.12 23.72 1de3 s ALA 136 CO 0.01 -0.45 0.81 -1.01 0.00 0.00 0.00 175.76 175.11 1de3 s HIS 137 N -4.01 3.35 0.00 0.00 3.76 -1.19 0.55 115.29 117.76 1de3 s HIS 137 Ca 0.19 1.15 -0.03 0.00 -0.15 0.00 0.00 55.06 56.22 1de3 s HIS 137 Cb 0.08 -3.01 -0.15 0.00 1.11 0.00 0.00 32.58 30.61 1de3 s HIS 137 CO -0.02 -0.32 2.88 0.25 -0.85 0.00 0.00 174.74 176.68 1de3 n THR 138 N 5.02 2.53 0.00 1.30 -2.24 -1.25 -3.92 114.28 115.72 1de3 n THR 138 Ca 0.04 -1.05 0.00 0.00 -2.27 0.00 0.00 64.05 60.78 1de3 n THR 138 Cb 0.48 -1.77 0.00 0.00 -2.10 0.00 0.00 70.33 66.94 1de3 n THR 138 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1de3 n LYS 139 N 2.07 0.00 0.00 -0.78 4.81 -1.23 -4.12 118.16 118.91 1de3 n LYS 139 Ca 0.24 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.68 1de3 n LYS 139 Cb 0.73 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.78 1de3 n LYS 139 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1de3 n GLU 140 N 0.00 0.00 -0.80 1.64 -0.58 0.20 -0.89 120.64 120.20 1de3 n GLU 140 Ca 0.00 0.00 -0.02 0.00 -0.42 0.00 0.00 57.16 56.72 1de3 n GLU 140 Cb 0.00 0.00 -0.02 0.00 -0.57 0.00 0.00 31.44 30.85 1de3 n GLU 140 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 1de3 n ASN 141 N 3.32 -0.22 -4.04 1.62 5.15 -1.26 -4.70 115.26 115.13 1de3 n ASN 141 Ca 0.00 -1.62 -0.09 0.00 -0.60 0.00 0.00 54.58 52.27 1de3 n ASN 141 Cb 0.00 0.04 -0.08 0.00 -0.53 0.00 0.00 39.78 39.21 1de3 n ASN 141 CO 0.00 0.00 0.00 -1.58 1.40 0.00 0.00 177.26 177.08 1de3 s GLN 142 N 0.00 1.02 0.00 1.20 2.00 -0.07 -4.90 119.66 118.91 1de3 s GLN 142 Ca 0.04 -1.27 0.00 0.00 -2.00 0.00 0.00 55.36 52.13 1de3 s GLN 142 Cb 0.05 0.31 0.00 0.00 0.80 0.00 0.00 33.01 34.17 1de3 s GLN 142 CO -0.02 -0.33 0.00 0.41 -0.50 0.00 0.00 175.29 174.84 1de3 n GLY 143 N -0.14 -0.50 3.20 2.59 0.00 -1.26 -3.53 105.19 105.54 1de3 n GLY 143 Ca -0.07 -1.63 -0.59 0.00 0.00 0.00 0.00 46.02 43.73 1de3 n GLY 143 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1de3 n GLU 144 N -0.21 0.00 -1.60 1.61 0.28 -1.26 -4.49 120.64 114.97 1de3 n GLU 144 Ca 0.00 0.00 -0.34 0.00 -0.16 0.00 0.00 57.16 56.66 1de3 n GLU 144 Cb 0.00 -1.39 0.07 0.00 1.43 0.00 0.00 31.44 31.56 1de3 n GLU 144 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 1de3 s LEU 145 N 4.37 3.40 -0.04 -1.84 1.02 -1.26 -3.83 118.68 120.50 1de3 s LEU 145 Ca 1.05 2.31 0.04 0.00 0.02 0.00 0.00 54.13 57.56 1de3 s LEU 145 Cb -1.39 -4.59 -0.00 0.00 0.02 0.00 0.00 46.19 40.23 1de3 s LEU 145 CO 0.67 -2.03 -0.16 -0.75 0.02 0.00 0.00 176.35 174.10 1de3 s LYS 146 N -3.82 1.57 -0.41 1.70 2.20 0.19 -4.87 119.74 116.30 1de3 s LYS 146 Ca 0.74 -0.55 -0.27 0.00 -0.36 0.00 0.00 55.97 55.53 1de3 s LYS 146 Cb -0.28 -1.39 -0.04 0.00 -1.51 0.00 0.00 37.83 34.60 1de3 s LYS 146 CO 0.42 0.24 2.08 -1.17 -0.36 0.00 0.00 175.35 176.56 1de3 s LEU 147 N 0.00 3.42 0.84 5.43 2.96 -1.26 -0.90 118.68 129.17 1de3 s LEU 147 Ca -0.02 1.18 -0.13 0.00 -0.22 0.00 0.00 54.13 54.93 1de3 s LEU 147 Cb -0.10 -3.03 0.05 0.00 0.50 0.00 0.00 46.19 43.60 1de3 s LEU 147 CO 0.01 -2.23 0.80 0.00 -1.32 0.00 0.00 176.35 173.61 1de3 s SER 149 N -2.00 2.33 0.00 0.00 1.04 0.07 -4.66 113.70 110.48 1de3 s SER 149 Ca 0.66 -0.97 0.06 0.00 0.48 0.00 0.00 55.95 56.18 1de3 s SER 149 Cb -0.27 -0.10 0.05 0.00 0.10 0.00 0.00 66.02 65.79 1de3 s SER 149 CO 0.58 -0.19 0.70 0.00 0.98 0.00 0.00 173.24 175.31