#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 -2.10 -2.51 0.00 0.31 -1.26 -3.47 118.33 109.30 1de3 n VAL 2 Ca 0.00 0.00 -0.43 0.00 -0.01 0.00 0.00 64.34 63.90 1de3 n VAL 2 Cb 0.00 -3.65 -0.02 0.00 -0.91 0.00 0.00 33.84 29.26 1de3 n VAL 2 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 1de3 s THR 3 N 0.00 4.07 -1.07 2.52 2.01 -1.26 -1.80 115.64 120.11 1de3 s THR 3 Ca 0.00 1.07 -0.14 0.00 0.31 0.00 0.00 61.69 62.93 1de3 s THR 3 Cb 0.00 -4.49 0.18 0.00 0.01 0.00 0.00 72.50 68.20 1de3 s THR 3 CO 0.00 -0.98 1.22 0.26 -0.69 0.00 0.00 174.62 174.44 1de3 s TRP 4 N 4.89 3.55 0.26 4.92 0.52 -1.01 -3.85 118.94 128.22 1de3 s TRP 4 Ca 0.52 -2.01 -0.19 0.00 0.02 0.00 0.00 56.10 54.44 1de3 s TRP 4 Cb -0.09 -4.17 -0.09 0.00 -1.15 0.00 0.00 33.47 27.97 1de3 s TRP 4 CO 0.31 -1.30 0.76 0.99 0.02 0.00 0.00 176.95 177.73 1de3 s THR 5 N 1.26 4.55 0.19 2.01 2.01 -0.34 -2.09 115.64 123.22 1de3 s THR 5 Ca 0.35 1.27 0.02 0.00 0.31 0.00 0.00 61.69 63.64 1de3 s THR 5 Cb -0.05 -3.81 -0.05 0.00 0.01 0.00 0.00 72.50 68.60 1de3 s THR 5 CO -0.05 0.09 -0.00 0.00 -0.69 0.00 0.00 174.62 173.97 1de3 s LEU 7 N -3.21 3.50 0.16 0.00 1.43 -1.26 -0.12 118.68 119.19 1de3 s LEU 7 Ca 0.25 -1.89 0.09 0.00 -1.03 0.00 0.00 54.13 51.56 1de3 s LEU 7 Cb 0.06 -1.25 -0.04 0.00 0.03 0.00 0.00 46.19 44.99 1de3 s LEU 7 CO 0.05 -0.39 -0.14 0.20 0.23 0.00 0.00 176.35 176.30 1de3 s ASN 8 N 1.26 4.04 -0.54 2.29 0.02 -1.04 -4.36 114.94 116.60 1de3 s ASN 8 Ca 0.10 -0.61 -0.20 0.00 -1.02 0.00 0.00 52.86 51.13 1de3 s ASN 8 Cb -0.18 -0.61 0.07 0.00 0.02 0.00 0.00 41.25 40.55 1de3 s ASN 8 CO -0.16 0.13 0.69 -0.62 0.02 0.00 0.00 177.10 177.15 1de3 s ASP 9 N -2.61 6.22 -0.13 -1.22 -1.08 -0.22 -1.83 116.67 115.80 1de3 s ASP 9 Ca 0.22 -1.02 -0.16 0.00 -0.52 0.00 0.00 52.55 51.07 1de3 s ASP 9 Cb -0.09 -2.31 -0.04 0.00 -1.46 0.00 0.00 42.92 39.01 1de3 s ASP 9 CO 0.13 -1.01 0.40 -1.10 0.52 0.00 0.00 175.17 174.11 1de3 s GLN 10 N 2.82 4.28 -1.21 4.34 -0.21 0.15 -0.56 119.66 129.27 1de3 s GLN 10 Ca 0.15 0.30 -0.15 0.00 0.02 0.00 0.00 55.36 55.69 1de3 s GLN 10 Cb -0.20 -3.42 0.14 0.00 1.00 0.00 0.00 33.01 30.54 1de3 s GLN 10 CO 0.11 0.22 1.48 0.21 -2.12 0.00 0.00 175.29 175.19 1de3 s LYS 11 N 0.46 4.03 -0.31 2.91 2.20 -1.26 -0.14 119.74 127.63 1de3 s LYS 11 Ca 0.22 -2.38 -0.41 0.00 -0.36 0.00 0.00 55.97 53.05 1de3 s LYS 11 Cb -0.14 -5.16 -0.16 0.00 -1.51 0.00 0.00 37.83 30.86 1de3 s LYS 11 CO 0.08 -1.88 1.76 -1.71 -0.36 0.00 0.00 175.35 173.24 1de3 n ASN 12 N 6.36 2.26 0.18 1.43 5.15 0.61 -4.74 115.26 126.51 1de3 n ASN 12 Ca 0.38 1.05 0.05 0.00 -0.60 0.00 0.00 54.58 55.47 1de3 n ASN 12 Cb 0.44 -1.12 0.30 0.00 -0.53 0.00 0.00 39.78 38.88 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 7.28 0.00 -0.16 1.20 0.13 -1.94 0.24 132.00 138.76 1de3 h PRO 13 Ca -0.45 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.66 1de3 h PRO 13 Cb 1.32 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.45 1de3 h PRO 13 CO 0.97 0.40 0.02 -0.22 -0.23 0.00 0.00 178.00 178.93 1de3 h LYS 14 N 0.00 0.26 -0.02 0.86 1.63 -1.96 -3.06 116.57 114.29 1de3 h LYS 14 Ca -0.00 -0.07 0.00 0.00 -0.85 0.00 0.00 60.65 59.72 1de3 h LYS 14 Cb 0.94 -0.03 0.00 0.00 -0.60 0.00 0.00 32.23 32.55 1de3 h LYS 14 CO 0.05 0.46 -0.32 0.25 -3.45 0.00 0.00 179.45 176.44 1de3 n THR 15 N -4.78 0.00 -3.55 1.00 -2.24 -1.22 -4.96 114.28 98.54 1de3 n THR 15 Ca -0.05 -0.28 -0.25 0.00 -2.27 0.00 0.00 64.05 61.20 1de3 n THR 15 Cb 0.19 1.08 -0.02 0.00 -2.10 0.00 0.00 70.33 69.49 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 0.12 -3.00 -4.21 3.42 5.15 0.79 -4.92 115.26 112.60 1de3 n ASN 16 Ca 0.11 -0.49 -0.14 0.00 -0.60 0.00 0.00 54.58 53.46 1de3 n ASN 16 Cb 0.46 -2.52 -0.10 0.00 -0.53 0.00 0.00 39.78 37.09 1de3 n ASN 16 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 1de3 s LYS 17 N -6.19 0.95 -0.08 1.20 1.02 -0.87 -4.93 119.74 110.84 1de3 s LYS 17 Ca 0.46 -1.32 -0.20 0.00 0.02 0.00 0.00 55.97 54.93 1de3 s LYS 17 Cb -0.25 -0.56 -0.04 0.00 -0.52 0.00 0.00 37.83 36.45 1de3 s LYS 17 CO 0.57 0.07 0.56 0.71 -0.92 0.00 0.00 175.35 176.33 1de3 s TYR 18 N -2.97 3.57 0.00 3.18 2.02 -1.26 -0.29 117.35 121.61 1de3 s TYR 18 Ca 0.12 1.04 0.02 0.00 -0.37 0.00 0.00 57.07 57.88 1de3 s TYR 18 Cb 0.00 -2.62 -0.01 0.00 -0.40 0.00 0.00 41.96 38.94 1de3 s TYR 18 CO -0.00 0.19 -0.06 -1.21 -1.57 0.00 0.00 175.55 172.91 1de3 s GLU 19 N 0.47 0.44 -1.15 -0.62 2.02 0.80 -4.93 118.70 115.73 1de3 s GLU 19 Ca 0.30 -0.29 -0.13 0.00 0.02 0.00 0.00 54.97 54.86 1de3 s GLU 19 Cb -0.16 -0.38 0.19 0.00 0.10 0.00 0.00 34.13 33.88 1de3 s GLU 19 CO 0.14 0.10 1.32 0.99 0.02 0.00 0.00 175.26 177.83 1de3 s THR 20 N -0.37 5.22 0.85 3.63 2.01 -1.26 0.34 115.64 126.06 1de3 s THR 20 Ca -0.00 -2.69 -0.12 0.00 0.31 0.00 0.00 61.69 59.18 1de3 s THR 20 Cb -0.04 -4.83 0.10 0.00 0.01 0.00 0.00 72.50 67.75 1de3 s THR 20 CO -0.00 -1.51 1.16 -0.54 -0.69 0.00 0.00 174.62 173.04 1de3 s LYS 21 N 1.07 1.66 -0.42 4.92 1.02 -0.76 -4.84 119.74 122.38 1de3 s LYS 21 Ca 0.39 0.22 -0.08 0.00 0.02 0.00 0.00 55.97 56.51 1de3 s LYS 21 Cb -0.05 -1.91 0.09 0.00 -0.52 0.00 0.00 37.83 35.45 1de3 s LYS 21 CO -0.03 -1.83 0.26 1.03 -0.92 0.00 0.00 175.35 173.87 1de3 s ARG 22 N -5.43 2.50 -1.07 1.68 0.52 -1.26 -2.49 118.95 113.40 1de3 s ARG 22 Ca 0.63 -1.56 -0.21 0.00 -0.52 0.00 0.00 55.73 54.07 1de3 s ARG 22 Cb -0.13 -3.77 0.08 0.00 0.52 0.00 0.00 34.95 31.66 1de3 s ARG 22 CO 0.51 -1.00 1.44 -1.17 0.02 0.00 0.00 175.30 175.10 1de3 s LEU 23 N 1.37 3.98 0.11 2.53 2.96 0.83 -4.86 118.68 125.60 1de3 s LEU 23 Ca 0.04 -1.87 -0.30 0.00 -0.22 0.00 0.00 54.13 51.78 1de3 s LEU 23 Cb -0.24 -2.53 -0.06 0.00 0.50 0.00 0.00 46.19 43.87 1de3 s LEU 23 CO 0.01 -1.30 1.13 -0.22 -1.32 0.00 0.00 176.35 174.65 1de3 s LEU 24 N 4.14 4.42 0.00 -0.68 1.98 -1.26 -0.51 118.68 126.77 1de3 s LEU 24 Ca 0.45 2.01 0.02 0.00 -2.89 0.00 0.00 54.13 53.72 1de3 s LEU 24 Cb -0.00 -3.59 -0.01 0.00 0.66 0.00 0.00 46.19 43.25 1de3 s LEU 24 CO -0.06 -0.34 0.07 -1.22 -1.89 0.00 0.00 176.35 172.92 1de3 n TYR 25 N 3.24 0.37 -4.13 5.38 4.02 -0.89 -4.78 117.16 120.37 1de3 n TYR 25 Ca 0.06 -1.97 -0.23 0.00 -0.01 0.00 0.00 57.90 55.75 1de3 n TYR 25 Cb 0.47 -0.09 -0.17 0.00 -0.02 0.00 0.00 39.34 39.53 1de3 n TYR 25 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 176.86 177.06 1de3 s ASN 26 N -2.98 1.51 0.20 7.72 3.04 -1.26 -2.39 114.94 120.77 1de3 s ASN 26 Ca 0.11 -0.19 -0.10 0.00 0.04 0.00 0.00 52.86 52.71 1de3 s ASN 26 Cb 0.01 -0.61 0.13 0.00 -1.54 0.00 0.00 41.25 39.23 1de3 s ASN 26 CO 0.07 -0.07 1.81 -0.61 -3.04 0.00 0.00 177.10 175.26 1de3 h GLN 27 N 7.56 1.01 -1.02 0.43 -0.00 -1.44 -1.55 115.11 120.09 1de3 h GLN 27 Ca -0.31 -0.13 0.27 0.00 -0.00 0.00 0.00 58.65 58.49 1de3 h GLN 27 Cb 1.15 -0.19 -0.06 0.00 0.00 0.00 0.00 27.48 28.37 1de3 h GLN 27 CO 0.42 0.76 0.70 -0.97 0.00 0.00 0.00 178.83 179.74 1de3 h ASN 28 N 0.99 0.23 0.80 -0.69 -0.73 -1.81 0.64 115.58 115.00 1de3 h ASN 28 Ca 0.25 0.04 -0.22 0.00 1.87 0.00 0.00 56.30 58.24 1de3 h ASN 28 Cb 0.06 -0.00 -0.04 0.00 0.27 0.00 0.00 38.32 38.61 1de3 h ASN 28 CO -0.04 0.06 -1.30 0.11 -0.37 0.00 0.00 177.43 175.89 1de3 h LYS 29 N 0.21 0.00 0.12 6.67 6.56 -1.72 -2.16 116.57 126.24 1de3 h LYS 29 Ca 0.53 0.00 -0.01 0.00 -1.06 0.00 0.00 60.65 60.11 1de3 h LYS 29 Cb 1.69 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 33.35 1de3 h LYS 29 CO -0.14 0.60 -0.06 0.00 -2.06 0.00 0.00 179.45 177.79 1de3 h ALA 30 N 1.14 -0.16 -0.89 3.86 0.00 0.05 0.29 119.26 123.55 1de3 h ALA 30 Ca -0.15 -0.25 0.08 0.00 0.00 0.00 0.00 54.91 54.59 1de3 h ALA 30 Cb 1.78 0.06 -0.07 0.00 0.00 0.00 0.00 17.79 19.57 1de3 h ALA 30 CO 0.09 -0.26 0.55 1.05 0.00 0.00 0.00 179.25 180.67 1de3 h GLU 31 N -0.83 0.92 -0.03 0.00 -0.00 0.05 0.14 114.58 114.84 1de3 h GLU 31 Ca -0.02 -0.06 -0.02 0.00 -0.00 0.00 0.00 59.36 59.27 1de3 h GLU 31 Cb 0.56 -0.21 0.00 0.00 -0.00 0.00 0.00 28.75 29.10 1de3 h GLU 31 CO 0.03 0.61 -0.06 1.03 -0.00 0.00 0.00 179.01 180.62 1de3 h SER 32 N 0.94 0.10 -0.52 3.06 0.87 -1.40 0.44 113.55 117.04 1de3 h SER 32 Ca 0.41 -0.57 0.10 0.00 -1.23 0.00 0.00 61.79 60.51 1de3 h SER 32 Cb 0.29 -0.03 -0.09 0.00 -0.44 0.00 0.00 62.40 62.14 1de3 h SER 32 CO -0.21 0.65 -0.00 0.78 -0.53 0.00 0.00 176.83 177.51 1de3 h ASN 33 N -0.45 -0.23 -0.78 6.23 2.35 0.20 0.34 115.58 123.24 1de3 h ASN 33 Ca 0.00 0.13 -0.03 0.00 -0.55 0.00 0.00 56.30 55.85 1de3 h ASN 33 Cb 0.63 0.23 -0.04 0.00 0.05 0.00 0.00 38.32 39.19 1de3 h ASN 33 CO 0.01 -0.08 0.37 0.77 -1.65 0.00 0.00 177.43 176.85 1de3 h SER 34 N 0.11 1.02 -0.14 5.81 4.64 -0.66 0.18 113.55 124.51 1de3 h SER 34 Ca 0.26 -0.14 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 1de3 h SER 34 Cb 0.40 -0.26 0.00 0.00 -0.31 0.00 0.00 62.40 62.23 1de3 h SER 34 CO -0.44 0.88 0.00 1.41 -0.87 0.00 0.00 176.83 177.81 1de3 n HIS 35 N -4.36 0.19 -0.02 4.77 8.25 0.21 -2.66 115.22 121.60 1de3 n HIS 35 Ca 0.07 -0.10 -0.03 0.00 -0.26 0.00 0.00 57.72 57.41 1de3 n HIS 35 Cb 0.14 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.23 1de3 n HIS 35 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1de3 n HIS 36 N -0.08 0.00 -2.49 4.41 -0.00 0.93 -5.00 115.22 113.00 1de3 n HIS 36 Ca 0.07 0.00 -0.38 0.00 -0.00 0.00 0.00 57.72 57.41 1de3 n HIS 36 Cb 0.14 -0.17 -0.04 0.00 -0.00 0.00 0.00 29.99 29.92 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 -2.09 3.15 0.38 -1.41 0.00 0.56 -5.03 121.76 117.33 1de3 s ALA 37 Ca -0.05 0.78 -0.26 0.00 0.00 0.00 0.00 51.96 52.44 1de3 s ALA 37 Cb 0.01 -3.30 -0.09 0.00 0.00 0.00 0.00 23.12 19.74 1de3 s ALA 37 CO 0.11 -0.26 1.12 -1.25 0.00 0.00 0.00 175.76 175.48 1de3 s PRO 38 N -2.26 4.19 -1.16 0.00 0.04 -1.26 -4.91 135.00 129.63 1de3 s PRO 38 Ca 0.55 1.74 -0.18 0.00 0.04 0.00 0.00 61.00 63.15 1de3 s PRO 38 Cb -0.25 -2.73 0.11 0.00 0.04 0.00 0.00 34.50 31.66 1de3 s PRO 38 CO 0.32 -0.17 1.50 -0.51 0.04 0.00 0.00 177.00 178.18 1de3 s LEU 39 N -2.35 4.33 -0.23 -3.56 1.43 -1.26 -4.37 118.68 112.67 1de3 s LEU 39 Ca 0.55 -2.37 -0.24 0.00 -1.03 0.00 0.00 54.13 51.04 1de3 s LEU 39 Cb -0.28 -2.50 0.06 0.00 0.03 0.00 0.00 46.19 43.50 1de3 s LEU 39 CO 0.36 -1.09 0.66 -0.94 0.23 0.00 0.00 176.35 175.57 1de3 s SER 40 N 3.85 -0.68 -0.03 2.29 1.04 -1.26 -5.00 113.70 113.91 1de3 s SER 40 Ca 0.46 1.27 -0.27 0.00 0.48 0.00 0.00 55.95 57.89 1de3 s SER 40 Cb -0.00 1.28 -0.03 0.00 0.10 0.00 0.00 66.02 67.36 1de3 s SER 40 CO -0.00 -0.27 0.85 -0.62 0.98 0.00 0.00 173.24 174.18 1de3 s ASP 41 N 0.20 7.20 -0.91 7.02 2.15 -1.20 -4.06 116.67 127.06 1de3 s ASP 41 Ca -0.01 1.44 -0.15 0.00 0.43 0.00 0.00 52.55 54.26 1de3 s ASP 41 Cb -0.04 -2.50 0.02 0.00 -0.30 0.00 0.00 42.92 40.10 1de3 s ASP 41 CO 0.02 -0.18 0.58 0.61 -0.17 0.00 0.00 175.17 176.02 1de3 n GLY 42 N 2.97 -0.99 1.12 2.66 0.00 -1.14 -4.48 105.19 105.33 1de3 n GLY 42 Ca 0.02 0.44 0.01 0.00 0.00 0.00 0.00 46.02 46.49 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 -3.48 0.00 -4.28 1.61 4.81 -1.26 -5.04 118.16 110.53 1de3 n LYS 43 Ca -0.21 -1.44 -0.17 0.00 -0.87 0.00 0.00 58.31 55.62 1de3 n LYS 43 Cb 0.58 0.01 -0.09 0.00 0.02 0.00 0.00 35.03 35.55 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 0.00 0.11 0.01 3.15 2.01 -1.26 -5.03 115.64 114.63 1de3 s THR 44 Ca 0.18 -2.00 -0.04 0.00 0.31 0.00 0.00 61.69 60.13 1de3 s THR 44 Cb 0.20 -2.50 -0.02 0.00 0.01 0.00 0.00 72.50 70.19 1de3 s THR 44 CO -0.09 0.00 1.07 1.23 -0.69 0.00 0.00 174.62 176.14 1de3 h GLY 45 N 2.29 -0.89 1.69 4.40 0.00 -1.51 -1.56 103.07 107.50 1de3 h GLY 45 Ca -0.31 0.39 0.00 0.00 0.00 0.00 0.00 47.33 47.41 1de3 h GLY 45 CO 0.46 -0.32 0.00 -1.14 0.00 0.00 0.00 176.54 175.54 1de3 n SER 46 N -2.68 0.00 0.00 0.19 3.41 0.76 -3.93 113.62 111.36 1de3 n SER 46 Ca -0.01 0.26 0.00 0.00 -0.26 0.00 0.00 58.87 58.86 1de3 n SER 46 Cb 0.05 -0.34 0.00 0.00 -0.26 0.00 0.00 64.21 63.66 1de3 n SER 46 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1de3 n SER 47 N -1.34 -0.56 -4.88 4.04 2.88 -0.59 -5.03 113.62 108.13 1de3 n SER 47 Ca 0.03 0.00 -0.33 0.00 -1.33 0.00 0.00 58.87 57.24 1de3 n SER 47 Cb 0.07 -0.09 -0.05 0.00 -0.75 0.00 0.00 64.21 63.39 1de3 n SER 47 CO 0.00 0.00 0.00 -0.31 -1.23 0.00 0.00 175.04 173.50 1de3 s TYR 48 N -3.24 3.53 -0.00 0.66 2.02 -1.26 -2.87 117.35 116.19 1de3 s TYR 48 Ca 0.00 0.65 -0.30 0.00 -0.37 0.00 0.00 57.07 57.05 1de3 s TYR 48 Cb 0.00 -2.06 -0.04 0.00 -0.40 0.00 0.00 41.96 39.46 1de3 s TYR 48 CO 0.00 0.49 1.09 -1.25 -1.57 0.00 0.00 175.55 174.31 1de3 s PRO 49 N -2.25 4.47 0.05 -1.71 0.04 -1.26 -4.53 135.00 129.82 1de3 s PRO 49 Ca 0.36 1.57 -0.13 0.00 0.04 0.00 0.00 61.00 62.84 1de3 s PRO 49 Cb -0.13 -3.45 -0.06 0.00 0.04 0.00 0.00 34.50 30.90 1de3 s PRO 49 CO 0.21 -0.21 0.43 -3.38 0.04 0.00 0.00 177.00 174.09 1de3 s HIS 50 N 1.35 3.66 0.27 0.56 -3.43 -1.22 -3.08 115.29 113.40 1de3 s HIS 50 Ca 0.54 0.94 -0.30 0.00 -0.80 0.00 0.00 55.06 55.44 1de3 s HIS 50 Cb -0.24 -2.26 -0.13 0.00 -1.43 0.00 0.00 32.58 28.52 1de3 s HIS 50 CO 0.26 0.56 1.28 1.87 -2.00 0.00 0.00 174.74 176.72 1de3 n TRP 51 N 1.32 1.95 -3.49 0.38 -0.00 -1.26 -0.95 117.44 115.40 1de3 n TRP 51 Ca -0.10 0.54 -0.42 0.00 -0.00 0.00 0.00 57.50 57.51 1de3 n TRP 51 Cb 0.52 -2.39 -0.06 0.00 -0.00 0.00 0.00 31.31 29.37 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 -0.51 3.48 0.41 5.87 5.36 0.15 -4.69 117.98 128.05 1de3 s PHE 52 Ca 0.64 -1.95 0.28 0.00 -0.96 0.00 0.00 56.93 54.94 1de3 s PHE 52 Cb -0.66 -3.58 1.40 0.00 -0.34 0.00 0.00 43.02 39.85 1de3 s PHE 52 CO 0.55 -0.97 1.51 0.25 -1.46 0.00 0.00 175.22 175.10 1de3 n THR 53 N 4.49 -0.29 -2.88 0.12 -2.24 -1.26 -4.50 114.28 107.72 1de3 n THR 53 Ca -0.01 1.81 -0.16 0.00 -2.27 0.00 0.00 64.05 63.42 1de3 n THR 53 Cb 0.42 -2.95 -0.01 0.00 -2.10 0.00 0.00 70.33 65.69 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 -4.80 -3.40 0.00 3.42 4.05 -1.26 0.05 115.26 113.32 1de3 n ASN 54 Ca 0.38 -0.04 0.00 0.00 0.45 0.00 0.00 54.58 55.37 1de3 n ASN 54 Cb 1.44 -2.87 0.00 0.00 1.23 0.00 0.00 39.78 39.58 1de3 n ASN 54 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1de3 n GLY 55 N -0.93 2.64 3.68 8.20 0.00 -1.26 -3.98 105.19 113.55 1de3 n GLY 55 Ca -0.07 -0.52 -0.40 0.00 0.00 0.00 0.00 46.02 45.03 1de3 n GLY 55 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1de3 n TYR 56 N 0.00 1.80 0.44 1.61 4.01 0.11 -4.27 117.16 120.85 1de3 n TYR 56 Ca 0.00 0.48 0.13 0.00 -0.16 0.00 0.00 57.90 58.35 1de3 n TYR 56 Cb 0.00 -2.31 0.38 0.00 -0.31 0.00 0.00 39.34 37.10 1de3 n TYR 56 CO 0.00 0.00 0.00 -0.44 -0.46 0.00 0.00 176.86 175.96 1de3 h ASP 57 N 1.54 0.00 0.00 7.72 3.32 -1.11 -3.43 116.42 124.46 1de3 h ASP 57 Ca -0.48 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.57 1de3 h ASP 57 Cb 1.32 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.87 1de3 h ASP 57 CO 0.57 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.70 1de3 n GLY 58 N 0.93 1.32 1.22 2.75 0.00 -1.26 -5.01 105.19 105.14 1de3 n GLY 58 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1de3 n GLY 58 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1de3 n ASP 59 N 0.00 0.00 0.00 1.61 2.03 -1.20 -3.98 116.55 115.00 1de3 n ASP 59 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1de3 n ASP 59 Cb 0.00 0.23 0.00 0.00 -0.72 0.00 0.00 41.12 40.63 1de3 n ASP 59 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1de3 n GLY 60 N -0.72 0.63 3.83 0.27 0.00 -1.26 -4.35 105.19 103.58 1de3 n GLY 60 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1de3 n GLY 60 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1de3 s LYS 61 N 0.00 4.19 0.11 1.61 -2.85 -1.26 -4.84 119.74 116.70 1de3 s LYS 61 Ca 0.00 1.00 0.10 0.00 -1.00 0.00 0.00 55.97 56.07 1de3 s LYS 61 Cb 0.00 -2.31 -0.04 0.00 -2.06 0.00 0.00 37.83 33.42 1de3 s LYS 61 CO 0.00 0.06 -0.24 -0.51 0.10 0.00 0.00 175.35 174.75 1de3 s LEU 62 N -3.01 2.30 0.00 2.77 1.02 -1.26 -0.60 118.68 119.90 1de3 s LEU 62 Ca 0.58 -0.71 0.00 0.00 0.02 0.00 0.00 54.13 54.02 1de3 s LEU 62 Cb -0.10 -1.08 0.00 0.00 0.02 0.00 0.00 46.19 45.03 1de3 s LEU 62 CO 0.15 0.13 0.00 -0.81 0.02 0.00 0.00 176.35 175.84 1de3 n PRO 63 N 1.03 -0.11 -2.94 1.29 -0.04 -1.26 -4.97 135.00 128.00 1de3 n PRO 63 Ca -0.19 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 62.86 1de3 n PRO 63 Cb 0.53 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.94 1de3 n PRO 63 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 1de3 s LYS 64 N -1.72 4.00 0.00 0.54 2.20 -1.26 -4.01 119.74 119.49 1de3 s LYS 64 Ca 0.00 0.65 0.00 0.00 -0.36 0.00 0.00 55.97 56.26 1de3 s LYS 64 Cb 0.00 -3.71 0.00 0.00 -1.51 0.00 0.00 37.83 32.61 1de3 s LYS 64 CO 0.00 -0.65 0.00 0.41 -0.36 0.00 0.00 175.35 174.75 1de3 n GLY 65 N 4.13 0.59 3.52 5.54 0.00 -1.26 -5.11 105.19 112.60 1de3 n GLY 65 Ca 0.04 -0.34 -0.27 0.00 0.00 0.00 0.00 46.02 45.46 1de3 n GLY 65 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1de3 s ARG 66 N -2.01 1.86 -0.35 1.61 6.06 -1.26 -5.12 118.95 119.75 1de3 s ARG 66 Ca 0.00 -1.39 0.02 0.00 -2.50 0.00 0.00 55.73 51.86 1de3 s ARG 66 Cb 0.00 -2.03 0.15 0.00 0.06 0.00 0.00 34.95 33.13 1de3 s ARG 66 CO 0.00 0.41 0.32 -0.08 -2.50 0.00 0.00 175.30 173.46 1de3 s THR 67 N -1.76 -0.25 -0.31 4.11 -1.32 -1.26 -5.07 115.64 109.78 1de3 s THR 67 Ca 0.24 -1.02 -0.29 0.00 -1.21 0.00 0.00 61.69 59.41 1de3 s THR 67 Cb -0.08 -0.83 -0.01 0.00 -1.51 0.00 0.00 72.50 70.08 1de3 s THR 67 CO 0.13 -0.64 1.49 -2.16 -2.21 0.00 0.00 174.62 171.23 1de3 s PRO 68 N 1.56 3.71 -0.46 7.08 0.04 -1.26 -4.68 135.00 141.00 1de3 s PRO 68 Ca 0.15 1.30 -0.42 0.00 0.04 0.00 0.00 61.00 62.08 1de3 s PRO 68 Cb -0.16 -4.00 -0.17 0.00 0.04 0.00 0.00 34.50 30.20 1de3 s PRO 68 CO -0.09 -1.39 2.11 -0.89 0.04 0.00 0.00 177.00 176.78 1de3 n ILE 69 N 6.66 0.05 -2.84 0.56 5.41 -1.26 -4.83 119.36 123.10 1de3 n ILE 69 Ca 0.17 -0.06 -0.43 0.00 1.00 0.00 0.00 62.75 63.44 1de3 n ILE 69 Cb 0.47 -0.77 -0.03 0.00 -0.71 0.00 0.00 39.64 38.60 1de3 n ILE 69 CO 0.00 0.00 0.00 -0.75 0.00 0.00 0.00 176.55 175.80 1de3 s LYS 70 N 5.81 3.44 0.32 0.38 2.20 -1.26 -4.84 119.74 125.79 1de3 s LYS 70 Ca 1.16 -1.35 0.06 0.00 -0.36 0.00 0.00 55.97 55.48 1de3 s LYS 70 Cb -1.35 -4.75 0.56 0.00 -1.51 0.00 0.00 37.83 30.78 1de3 s LYS 70 CO 0.63 -1.86 1.80 0.74 -0.36 0.00 0.00 175.35 176.30 1de3 h PHE 71 N 9.23 0.39 0.00 4.03 -1.00 -1.91 -3.47 116.94 124.21 1de3 h PHE 71 Ca 0.02 -0.07 0.00 0.00 2.81 0.00 0.00 57.97 60.73 1de3 h PHE 71 Cb 1.04 -0.10 0.00 0.00 3.61 0.00 0.00 35.95 40.50 1de3 h PHE 71 CO 1.12 0.56 0.00 0.41 -1.61 0.00 0.00 178.31 178.79 1de3 n GLY 72 N -0.55 1.13 2.64 -1.45 0.00 -1.26 -5.11 105.19 100.58 1de3 n GLY 72 Ca -0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 1de3 n GLY 72 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1de3 n LYS 73 N -1.77 0.77 -0.04 1.61 4.76 -1.26 -5.07 118.16 117.16 1de3 n LYS 73 Ca 0.00 -2.15 -0.05 0.00 -2.87 0.00 0.00 58.31 53.23 1de3 n LYS 73 Cb 0.00 -0.09 -0.04 0.00 -1.84 0.00 0.00 35.03 33.05 1de3 n LYS 73 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1de3 n SER 74 N -2.44 3.35 0.01 4.39 2.88 -1.26 -4.15 113.62 116.41 1de3 n SER 74 Ca 0.09 -0.03 -0.21 0.00 -1.33 0.00 0.00 58.87 57.38 1de3 n SER 74 Cb 0.41 0.05 -0.14 0.00 -0.75 0.00 0.00 64.21 63.78 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 0.43 1.14 -3.46 5.19 -1.98 -1.30 116.42 116.44 1de3 h ASP 75 Ca -0.19 -0.94 -0.02 0.00 -0.62 0.00 0.00 57.03 55.26 1de3 h ASP 75 Cb 1.32 -0.14 -0.00 0.00 0.18 0.00 0.00 39.33 40.68 1de3 h ASP 75 CO -0.02 1.84 -0.11 0.00 -3.12 0.00 0.00 179.24 177.83 1de3 n ASP 77 N -3.22 0.60 -4.51 0.00 2.03 -1.25 -4.92 116.55 105.28 1de3 n ASP 77 Ca 0.01 -0.32 -0.31 0.00 0.52 0.00 0.00 54.79 54.69 1de3 n ASP 77 Cb 0.41 0.97 0.18 0.00 -0.72 0.00 0.00 41.12 41.96 1de3 n ASP 77 CO 0.00 0.00 0.00 -2.11 -1.92 0.00 0.00 177.20 173.17 1de3 n ARG 78 N -1.91 -1.13 -2.24 -0.67 1.85 -0.49 -4.95 116.66 107.13 1de3 n ARG 78 Ca 0.02 -0.28 -0.43 0.00 -1.00 0.00 0.00 57.85 56.16 1de3 n ARG 78 Cb 0.43 -2.13 -0.02 0.00 -1.05 0.00 0.00 32.46 29.69 1de3 n ARG 78 CO 0.00 0.00 0.00 -1.25 -0.01 0.00 0.00 177.63 176.37 1de3 s PRO 79 N -4.22 4.07 -0.07 2.89 0.04 -1.26 -4.98 135.00 131.47 1de3 s PRO 79 Ca 0.64 1.74 -0.30 0.00 0.04 0.00 0.00 61.00 63.13 1de3 s PRO 79 Cb -0.22 -3.91 -0.03 0.00 0.04 0.00 0.00 34.50 30.39 1de3 s PRO 79 CO 0.63 -0.95 1.12 -1.25 0.04 0.00 0.00 177.00 176.59 1de3 s PRO 80 N 4.02 4.39 -0.99 0.56 0.04 -1.26 -4.86 135.00 136.90 1de3 s PRO 80 Ca 0.64 1.56 -0.09 0.00 0.04 0.00 0.00 61.00 63.15 1de3 s PRO 80 Cb -0.25 -3.54 0.25 0.00 0.04 0.00 0.00 34.50 31.00 1de3 s PRO 80 CO 0.23 -0.38 0.96 0.21 0.04 0.00 0.00 177.00 178.06 1de3 s LYS 81 N 2.06 3.87 0.38 4.56 2.36 -1.23 -3.27 119.74 128.47 1de3 s LYS 81 Ca 0.53 -3.01 -0.23 0.00 -2.55 0.00 0.00 55.97 50.71 1de3 s LYS 81 Cb -0.22 -4.42 -0.10 0.00 -1.05 0.00 0.00 37.83 32.04 1de3 s LYS 81 CO 0.21 -1.25 0.95 -1.58 1.55 0.00 0.00 175.35 175.23 1de3 s HIS 82 N -0.86 3.46 0.00 4.03 5.65 -1.26 -3.68 115.29 122.64 1de3 s HIS 82 Ca 0.26 1.68 0.00 0.00 0.25 0.00 0.00 55.06 57.26 1de3 s HIS 82 Cb -0.10 -2.89 0.00 0.00 -1.18 0.00 0.00 32.58 28.40 1de3 s HIS 82 CO -0.09 -0.01 0.00 0.45 -0.65 0.00 0.00 174.74 174.45 1de3 n SER 83 N -0.12 0.00 0.09 9.88 2.88 -1.26 -4.83 113.62 120.27 1de3 n SER 83 Ca 0.05 0.00 -0.04 0.00 -1.33 0.00 0.00 58.87 57.55 1de3 n SER 83 Cb 0.52 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.96 1de3 n SER 83 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 1de3 h LYS 84 N 0.00 -0.27 -0.60 -1.46 1.63 -1.99 -3.36 116.57 110.53 1de3 h LYS 84 Ca 0.00 0.02 -0.00 0.00 -0.85 0.00 0.00 60.65 59.82 1de3 h LYS 84 Cb 0.00 0.06 -0.00 0.00 -0.60 0.00 0.00 32.23 31.69 1de3 h LYS 84 CO 0.00 -0.18 0.00 -0.40 -3.45 0.00 0.00 179.45 175.42 1de3 n ASP 85 N -3.66 5.59 -3.88 4.20 5.75 -1.26 -4.91 116.55 118.37 1de3 n ASP 85 Ca -0.03 -2.91 -0.26 0.00 -0.01 0.00 0.00 54.79 51.58 1de3 n ASP 85 Cb 0.11 -0.68 -0.00 0.00 -1.03 0.00 0.00 41.12 39.51 1de3 n ASP 85 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1de3 n GLY 86 N 0.59 -0.35 2.89 6.12 0.00 -1.26 -3.22 105.19 109.96 1de3 n GLY 86 Ca 0.27 0.19 -0.03 0.00 0.00 0.00 0.00 46.02 46.45 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 -4.23 -1.37 0.01 1.61 2.47 -1.26 -3.54 114.94 108.63 1de3 s ASN 87 Ca 0.08 -1.48 0.00 0.00 0.42 0.00 0.00 52.86 51.88 1de3 s ASN 87 Cb -0.03 1.85 0.00 0.00 -1.45 0.00 0.00 41.25 41.62 1de3 s ASN 87 CO 0.88 -0.09 0.00 0.61 -3.72 0.00 0.00 177.10 174.77 1de3 n GLY 88 N 3.40 1.29 0.35 1.21 0.00 -1.26 -4.89 105.19 105.29 1de3 n GLY 88 Ca 0.16 -1.95 -0.00 0.00 0.00 0.00 0.00 46.02 44.23 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 1.12 -0.11 1.61 3.64 -2.01 -3.33 116.57 117.49 1de3 h LYS 89 Ca 0.00 -0.07 -0.20 0.00 -1.27 0.00 0.00 60.65 59.11 1de3 h LYS 89 Cb 0.00 -0.25 -0.20 0.00 -0.41 0.00 0.00 32.23 31.36 1de3 h LYS 89 CO 0.00 0.74 -0.46 0.25 -2.27 0.00 0.00 179.45 177.71 1de3 n THR 90 N -4.50 0.25 -1.61 1.00 -2.24 -1.26 -5.12 114.28 100.79 1de3 n THR 90 Ca 0.12 -1.49 -0.63 0.00 -2.27 0.00 0.00 64.05 59.79 1de3 n THR 90 Cb 0.10 1.04 -0.10 0.00 -2.10 0.00 0.00 70.33 69.27 1de3 n THR 90 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1de3 n ASP 91 N -1.17 1.45 -2.62 3.42 2.03 -1.25 -4.85 116.55 113.56 1de3 n ASP 91 Ca -0.10 1.00 -0.28 0.00 0.52 0.00 0.00 54.79 55.93 1de3 n ASP 91 Cb 0.86 -0.97 -0.00 0.00 -0.72 0.00 0.00 41.12 40.28 1de3 n ASP 91 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1de3 n HIS 92 N 5.48 3.50 -3.29 -0.67 1.44 -1.24 -4.28 115.22 116.16 1de3 n HIS 92 Ca 0.36 -3.22 -0.27 0.00 -2.01 0.00 0.00 57.72 52.58 1de3 n HIS 92 Cb 0.01 -0.25 -0.02 0.00 0.12 0.00 0.00 29.99 29.84 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 3.49 -0.27 -1.40 1.13 -1.26 -3.56 117.35 111.90 1de3 s TYR 93 Ca 0.48 0.59 -0.16 0.00 -1.41 0.00 0.00 57.07 56.57 1de3 s TYR 93 Cb 0.38 -2.07 -0.03 0.00 -1.10 0.00 0.00 41.96 39.13 1de3 s TYR 93 CO -0.20 0.12 0.44 -0.51 -2.51 0.00 0.00 175.55 172.89 1de3 s LEU 94 N -3.82 4.05 0.26 -3.49 1.43 -1.26 -3.80 118.68 112.05 1de3 s LEU 94 Ca 0.43 0.38 0.08 0.00 -1.03 0.00 0.00 54.13 53.99 1de3 s LEU 94 Cb -0.10 -2.53 -0.04 0.00 0.03 0.00 0.00 46.19 43.55 1de3 s LEU 94 CO 0.33 -0.23 0.15 -1.48 0.23 0.00 0.00 176.35 175.34 1de3 s LEU 95 N 2.18 3.62 -0.13 1.79 0.05 -1.19 0.31 118.68 125.32 1de3 s LEU 95 Ca 0.18 -0.38 -0.01 0.00 0.05 0.00 0.00 54.13 53.97 1de3 s LEU 95 Cb -0.16 -2.16 0.03 0.00 -2.05 0.00 0.00 46.19 41.86 1de3 s LEU 95 CO 0.10 -0.05 -0.04 -1.83 -0.55 0.00 0.00 176.35 173.98 1de3 s GLU 96 N -3.81 1.16 -0.12 1.48 -1.05 -0.13 -3.34 118.70 112.89 1de3 s GLU 96 Ca 0.33 -0.26 -0.07 0.00 -0.15 0.00 0.00 54.97 54.82 1de3 s GLU 96 Cb -0.07 -1.62 -0.04 0.00 -0.44 0.00 0.00 34.13 31.95 1de3 s GLU 96 CO 0.24 -0.37 0.14 0.12 0.95 0.00 0.00 175.26 176.33 1de3 s PHE 97 N 1.77 3.59 -1.05 4.83 2.19 -0.52 -3.46 117.98 125.33 1de3 s PHE 97 Ca 0.03 0.52 -0.23 0.00 0.33 0.00 0.00 56.93 57.58 1de3 s PHE 97 Cb -0.14 -1.95 -0.05 0.00 -1.31 0.00 0.00 43.02 39.58 1de3 s PHE 97 CO -0.07 0.72 1.89 -1.25 1.83 0.00 0.00 175.22 178.33 1de3 s PRO 98 N -0.98 2.72 0.00 10.12 0.04 -1.26 -0.81 135.00 144.83 1de3 s PRO 98 Ca 0.15 -0.82 -0.30 0.00 0.04 0.00 0.00 61.00 60.06 1de3 s PRO 98 Cb -0.12 -5.19 -0.05 0.00 0.04 0.00 0.00 34.50 29.18 1de3 s PRO 98 CO 0.04 -3.44 1.23 -0.08 0.04 0.00 0.00 177.00 174.79 1de3 s THR 99 N 9.62 4.07 0.07 1.26 -1.32 -1.11 -4.76 115.64 123.47 1de3 s THR 99 Ca 0.66 1.45 -0.07 0.00 -1.21 0.00 0.00 61.69 62.52 1de3 s THR 99 Cb -0.03 -3.93 -0.05 0.00 -1.51 0.00 0.00 72.50 66.98 1de3 s THR 99 CO 0.05 0.05 0.34 -0.36 -2.21 0.00 0.00 174.62 172.48 1de3 s PHE 100 N 1.77 3.55 0.03 9.09 0.40 -1.26 -4.63 117.98 126.93 1de3 s PHE 100 Ca 0.58 0.64 -0.18 0.00 -0.60 0.00 0.00 56.93 57.37 1de3 s PHE 100 Cb -0.28 -2.05 -0.22 0.00 0.51 0.00 0.00 43.02 40.99 1de3 s PHE 100 CO 0.26 0.53 1.16 -1.00 0.70 0.00 0.00 175.22 176.87 1de3 h PRO 101 N 3.58 0.50 -1.31 0.24 0.13 -1.91 -3.14 132.00 130.09 1de3 h PRO 101 Ca -0.48 -0.49 0.38 0.00 -0.87 0.00 0.00 66.00 64.54 1de3 h PRO 101 Cb 1.19 0.13 -0.08 0.00 0.13 0.00 0.00 31.00 32.36 1de3 h PRO 101 CO 0.68 1.13 0.90 -0.44 -0.23 0.00 0.00 178.00 180.04 1de3 h ASP 102 N 0.06 0.17 0.00 1.44 3.32 -1.96 -3.44 116.42 116.01 1de3 h ASP 102 Ca -0.07 0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.03 1de3 h ASP 102 Cb 1.33 0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.91 1de3 h ASP 102 CO 0.13 -0.02 0.00 0.61 -1.72 0.00 0.00 179.24 178.23 1de3 n GLY 103 N -1.66 0.85 3.68 2.75 0.00 -1.19 -5.05 105.19 104.57 1de3 n GLY 103 Ca 0.31 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.03 3.45 -1.07 1.61 -3.43 -1.26 -4.95 115.29 107.61 1de3 s HIS 104 Ca 0.00 1.18 -0.25 0.00 -0.80 0.00 0.00 55.06 55.19 1de3 s HIS 104 Cb 0.00 -2.91 -0.16 0.00 -1.43 0.00 0.00 32.58 28.08 1de3 s HIS 104 CO 0.00 -0.14 2.08 0.16 -2.00 0.00 0.00 174.74 174.84 1de3 s ASP 105 N 1.08 4.07 0.05 7.38 -4.77 -1.26 -4.48 116.67 118.73 1de3 s ASP 105 Ca 0.36 -1.05 -0.26 0.00 -3.30 0.00 0.00 52.55 48.30 1de3 s ASP 105 Cb -0.17 -2.59 -0.13 0.00 -1.09 0.00 0.00 42.92 38.94 1de3 s ASP 105 CO 0.14 -4.04 0.63 0.00 0.70 0.00 0.00 175.17 172.60 1de3 n TYR 106 N 17.63 0.18 -1.71 2.11 9.36 -1.26 -4.66 117.16 138.80 1de3 n TYR 106 Ca 0.43 0.73 -0.18 0.00 3.32 0.00 0.00 57.90 62.20 1de3 n TYR 106 Cb 0.46 -1.45 -0.10 0.00 -0.63 0.00 0.00 39.34 37.62 1de3 n TYR 106 CO 0.00 0.00 0.00 -1.59 0.22 0.00 0.00 176.86 175.49 1de3 s LYS 107 N -0.24 1.45 0.13 2.98 -2.85 -1.26 -4.64 119.74 115.30 1de3 s LYS 107 Ca 0.58 -0.60 0.27 0.00 -1.00 0.00 0.00 55.97 55.21 1de3 s LYS 107 Cb -0.82 -5.04 0.97 0.00 -2.06 0.00 0.00 37.83 30.88 1de3 s LYS 107 CO 0.40 -5.20 1.82 1.97 0.10 0.00 0.00 175.35 174.43 1de3 n PHE 108 N 18.60 0.55 1.10 1.78 1.16 -1.26 -2.42 117.46 136.97 1de3 n PHE 108 Ca 0.42 0.17 0.12 0.00 -1.87 0.00 0.00 57.45 56.29 1de3 n PHE 108 Cb 0.47 -0.77 0.25 0.00 -1.61 0.00 0.00 39.48 37.82 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 -1.95 0.88 -4.45 5.98 5.75 -1.26 -0.17 116.55 121.32 1de3 n ASP 109 Ca 0.06 -0.68 -0.44 0.00 -0.01 0.00 0.00 54.79 53.72 1de3 n ASP 109 Cb 0.37 0.29 -0.03 0.00 -1.03 0.00 0.00 41.12 40.72 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 -2.75 6.43 0.02 -1.12 0.15 -1.01 -3.25 113.70 112.16 1de3 s SER 110 Ca 0.17 -1.63 -0.10 0.00 0.70 0.00 0.00 55.95 55.09 1de3 s SER 110 Cb 0.18 -2.40 -0.05 0.00 -1.71 0.00 0.00 66.02 62.04 1de3 s SER 110 CO 0.63 -1.20 1.15 0.50 1.20 0.00 0.00 173.24 175.52 1de3 h LYS 111 N 9.12 -0.33 -4.06 5.44 3.64 -1.87 -3.16 116.57 125.35 1de3 h LYS 111 Ca -0.03 0.02 -0.49 0.00 -1.27 0.00 0.00 60.65 58.88 1de3 h LYS 111 Cb 1.04 0.08 -0.37 0.00 -0.41 0.00 0.00 32.23 32.57 1de3 h LYS 111 CO 1.14 -0.22 -0.79 0.21 -2.27 0.00 0.00 179.45 177.51 1de3 s LYS 112 N -3.77 1.19 1.03 1.90 2.47 -1.26 -3.73 119.74 117.58 1de3 s LYS 112 Ca -0.05 -0.14 -0.17 0.00 -1.56 0.00 0.00 55.97 54.05 1de3 s LYS 112 Cb 0.01 -1.32 0.24 0.00 -1.46 0.00 0.00 37.83 35.29 1de3 s LYS 112 CO 0.16 -0.25 1.30 -1.25 0.16 0.00 0.00 175.35 175.47 1de3 s PRO 113 N 1.67 0.05 -0.29 4.03 0.04 -1.26 -5.18 135.00 134.06 1de3 s PRO 113 Ca 0.03 -0.44 -0.00 0.00 0.04 0.00 0.00 61.00 60.63 1de3 s PRO 113 Cb -0.13 -1.78 0.18 0.00 0.04 0.00 0.00 34.50 32.81 1de3 s PRO 113 CO -0.06 -2.80 0.54 0.21 0.04 0.00 0.00 177.00 174.93 1de3 s LYS 114 N -5.86 0.52 0.34 4.56 2.20 -1.24 -4.75 119.74 115.51 1de3 s LYS 114 Ca 0.75 0.81 -0.28 0.00 -0.36 0.00 0.00 55.97 56.89 1de3 s LYS 114 Cb -0.04 0.27 -0.10 0.00 -1.51 0.00 0.00 37.83 36.45 1de3 s LYS 114 CO 0.54 -0.70 1.35 -2.00 -0.36 0.00 0.00 175.35 174.18 1de3 s GLU 115 N 2.78 4.28 0.18 4.03 2.12 -1.26 -4.94 118.70 125.88 1de3 s GLU 115 Ca 0.17 2.30 -0.32 0.00 0.36 0.00 0.00 54.97 57.48 1de3 s GLU 115 Cb -0.14 -3.04 -0.16 0.00 0.26 0.00 0.00 34.13 31.05 1de3 s GLU 115 CO -0.21 -0.28 0.99 -1.71 -0.54 0.00 0.00 175.26 173.52 1de3 n ASN 116 N 0.69 0.64 -2.96 -1.70 5.15 -1.26 -4.97 115.26 110.86 1de3 n ASN 116 Ca 0.00 1.15 0.00 0.00 -0.60 0.00 0.00 54.58 55.13 1de3 n ASN 116 Cb 0.41 -1.14 0.00 0.00 -0.53 0.00 0.00 39.78 38.52 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 1.40 -0.22 -4.41 1.20 -0.04 -1.26 -5.10 135.00 126.56 1de3 n PRO 117 Ca 0.15 0.00 -0.25 0.00 -0.04 0.00 0.00 63.50 63.36 1de3 n PRO 117 Cb 0.24 0.00 -0.09 0.00 -0.04 0.00 0.00 33.50 33.61 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 -1.85 2.08 -0.05 0.55 0.00 -1.26 -5.07 107.32 101.71 1de3 s GLY 118 Ca 0.00 -1.99 -0.26 0.00 0.00 0.00 0.00 44.72 42.47 1de3 s GLY 118 CO 0.00 -1.94 1.08 -0.56 0.00 0.00 0.00 173.10 171.68 1de3 h PRO 119 N 1.91 0.09 -6.28 2.90 0.13 -1.90 -3.43 132.00 125.41 1de3 h PRO 119 Ca -0.42 -0.08 -0.57 0.00 -0.87 0.00 0.00 66.00 64.06 1de3 h PRO 119 Cb 1.25 0.02 -0.05 0.00 0.13 0.00 0.00 31.00 32.35 1de3 h PRO 119 CO 0.67 0.77 0.91 0.00 -0.23 0.00 0.00 178.00 180.13 1de3 s ALA 120 N -3.41 3.48 -0.04 -0.56 0.00 -1.25 -3.79 121.76 116.19 1de3 s ALA 120 Ca -0.16 0.14 0.06 0.00 0.00 0.00 0.00 51.96 51.99 1de3 s ALA 120 Cb 0.01 -3.70 -0.01 0.00 0.00 0.00 0.00 23.12 19.41 1de3 s ALA 120 CO 0.71 -1.53 -0.21 1.03 0.00 0.00 0.00 175.76 175.75 1de3 s ARG 121 N 3.84 1.97 0.10 0.00 0.52 0.20 -2.74 118.95 122.84 1de3 s ARG 121 Ca 0.52 -0.75 -0.30 0.00 -0.52 0.00 0.00 55.73 54.68 1de3 s ARG 121 Cb -0.16 -1.76 -0.06 0.00 0.52 0.00 0.00 34.95 33.49 1de3 s ARG 121 CO 0.18 0.37 0.99 0.54 0.02 0.00 0.00 175.30 177.40 1de3 s VAL 122 N -0.24 4.47 -0.05 3.52 0.11 0.01 -0.02 120.40 128.20 1de3 s VAL 122 Ca 0.01 2.00 0.06 0.00 -2.93 0.00 0.00 61.98 61.12 1de3 s VAL 122 Cb -0.11 -4.28 -0.02 0.00 -1.53 0.00 0.00 36.38 30.45 1de3 s VAL 122 CO 0.01 0.28 -0.23 -0.63 -3.33 0.00 0.00 175.10 171.21 1de3 s ILE 123 N 0.17 2.27 -0.29 7.04 -1.09 -0.64 -1.44 121.20 127.23 1de3 s ILE 123 Ca 0.48 -1.00 -0.22 0.00 -2.23 0.00 0.00 60.65 57.69 1de3 s ILE 123 Cb -0.24 -1.84 0.13 0.00 -1.58 0.00 0.00 42.46 38.94 1de3 s ILE 123 CO 0.30 0.57 1.03 -0.72 -1.23 0.00 0.00 174.94 174.89 1de3 s TYR 124 N -0.32 -0.50 0.00 3.97 1.13 -1.21 -1.44 117.35 118.98 1de3 s TYR 124 Ca 0.01 1.12 0.00 0.00 -1.41 0.00 0.00 57.07 56.79 1de3 s TYR 124 Cb -0.13 0.37 0.00 0.00 -1.10 0.00 0.00 41.96 41.10 1de3 s TYR 124 CO 0.02 -0.24 0.00 0.25 -2.51 0.00 0.00 175.55 173.07 1de3 n THR 125 N 2.75 0.00 -3.63 -3.49 -2.24 -1.24 -3.18 114.28 103.24 1de3 n THR 125 Ca -0.15 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.53 1de3 n THR 125 Cb 0.57 -0.33 -0.07 0.00 -2.10 0.00 0.00 70.33 68.39 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 -0.49 -0.51 -2.00 4.78 5.04 -1.25 -1.89 117.35 121.03 1de3 s TYR 126 Ca 0.00 1.24 0.19 0.00 -2.44 0.00 0.00 57.07 56.06 1de3 s TYR 126 Cb 0.00 0.35 1.16 0.00 0.35 0.00 0.00 41.96 43.82 1de3 s TYR 126 CO 0.00 -0.26 1.65 -0.35 -1.34 0.00 0.00 175.55 175.25 1de3 n PRO 127 N 2.21 0.85 -0.21 4.97 -0.04 -1.26 -4.31 135.00 137.20 1de3 n PRO 127 Ca -0.13 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.34 1de3 n PRO 127 Cb 0.56 -1.36 0.10 0.00 -0.04 0.00 0.00 33.50 32.76 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 -0.39 -4.20 3.54 2.35 -1.96 -3.45 115.58 111.47 1de3 h ASN 128 Ca 0.00 0.17 -0.38 0.00 -0.55 0.00 0.00 56.30 55.55 1de3 h ASN 128 Cb 0.00 0.32 0.00 0.00 0.05 0.00 0.00 38.32 38.70 1de3 h ASN 128 CO 0.00 -0.16 -0.53 0.29 -1.65 0.00 0.00 177.43 175.38 1de3 n LYS 129 N -5.34 -3.40 -2.02 0.81 5.02 -0.79 -4.86 118.16 107.57 1de3 n LYS 129 Ca 0.09 0.80 -0.26 0.00 -2.02 0.00 0.00 58.31 56.92 1de3 n LYS 129 Cb 0.36 -5.54 -0.05 0.00 -0.02 0.00 0.00 35.03 29.78 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 -3.00 3.42 -0.65 -0.18 1.01 -1.26 -4.71 120.40 115.03 1de3 s VAL 130 Ca 0.20 -0.36 -0.36 0.00 0.00 0.00 0.00 61.98 61.46 1de3 s VAL 130 Cb -0.09 -3.96 -0.17 0.00 0.00 0.00 0.00 36.38 32.16 1de3 s VAL 130 CO 0.24 -0.88 2.38 0.33 0.00 0.00 0.00 175.10 177.17 1de3 n PHE 131 N 14.33 1.06 0.04 5.22 7.35 -1.26 -3.72 117.46 140.47 1de3 n PHE 131 Ca 0.41 0.46 -0.13 0.00 -0.76 0.00 0.00 57.45 57.43 1de3 n PHE 131 Cb 0.47 -2.41 -0.14 0.00 0.35 0.00 0.00 39.48 37.75 1de3 n PHE 131 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1de3 n GLY 133 N 1.58 -0.21 3.07 0.00 0.00 -1.18 -5.04 105.19 103.41 1de3 n GLY 133 Ca -0.13 -0.93 -0.17 0.00 0.00 0.00 0.00 46.02 44.79 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 -4.00 0.75 -0.02 -0.61 1.09 -1.26 -1.62 121.20 115.54 1de3 s ILE 134 Ca 0.00 -0.82 0.03 0.00 -1.10 0.00 0.00 60.65 58.76 1de3 s ILE 134 Cb 0.00 -0.71 -0.00 0.00 -1.06 0.00 0.00 42.46 40.68 1de3 s ILE 134 CO 0.00 -0.08 -0.10 0.27 -0.10 0.00 0.00 174.94 174.93 1de3 s ILE 135 N -0.82 0.82 -0.00 2.92 -4.36 0.97 -0.61 121.20 120.12 1de3 s ILE 135 Ca -0.02 -0.42 -0.01 0.00 -0.26 0.00 0.00 60.65 59.94 1de3 s ILE 135 Cb -0.07 -0.70 -0.00 0.00 1.25 0.00 0.00 42.46 42.93 1de3 s ILE 135 CO 0.01 0.24 0.02 0.00 0.24 0.00 0.00 174.94 175.44 1de3 s ALA 136 N -0.07 -0.03 0.09 2.27 0.00 0.69 0.61 121.76 125.31 1de3 s ALA 136 Ca 0.01 -0.09 -0.31 0.00 0.00 0.00 0.00 51.96 51.58 1de3 s ALA 136 Cb -0.06 0.01 -0.09 0.00 0.00 0.00 0.00 23.12 22.98 1de3 s ALA 136 CO -0.00 -0.05 1.61 -1.01 0.00 0.00 0.00 175.76 176.31 1de3 s HIS 137 N -0.38 2.60 -1.97 0.00 3.76 -1.25 -0.25 115.29 117.81 1de3 s HIS 137 Ca -0.04 0.43 0.17 0.00 -0.15 0.00 0.00 55.06 55.47 1de3 s HIS 137 Cb -0.03 -3.93 1.03 0.00 1.11 0.00 0.00 32.58 30.76 1de3 s HIS 137 CO -0.00 -3.66 1.45 0.25 -0.85 0.00 0.00 174.74 171.93 1de3 n THR 138 N 4.54 0.03 -3.43 1.30 -2.24 -0.78 -3.78 114.28 109.92 1de3 n THR 138 Ca 0.15 0.01 -0.28 0.00 -2.27 0.00 0.00 64.05 61.66 1de3 n THR 138 Cb 0.40 -0.73 -0.11 0.00 -2.10 0.00 0.00 70.33 67.79 1de3 n THR 138 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1de3 s LYS 139 N -2.03 0.70 1.87 -0.78 2.20 -1.26 -1.05 119.74 119.39 1de3 s LYS 139 Ca 0.26 -1.68 0.00 0.00 -0.36 0.00 0.00 55.97 54.19 1de3 s LYS 139 Cb 0.12 -1.34 0.00 0.00 -1.51 0.00 0.00 37.83 35.10 1de3 s LYS 139 CO 0.21 -1.29 0.00 0.39 -0.36 0.00 0.00 175.35 174.29 1de3 n GLU 140 N 3.50 0.00 -0.59 4.03 1.02 0.27 -1.21 120.64 127.67 1de3 n GLU 140 Ca 0.20 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.34 1de3 n GLU 140 Cb 0.42 0.00 -0.00 0.00 -0.02 0.00 0.00 31.44 31.84 1de3 n GLU 140 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1de3 n ASN 141 N 4.39 0.03 0.00 1.62 5.15 -1.26 -4.60 115.26 120.60 1de3 n ASN 141 Ca 0.00 -1.69 0.00 0.00 -0.60 0.00 0.00 54.58 52.29 1de3 n ASN 141 Cb 0.00 -0.13 0.00 0.00 -0.53 0.00 0.00 39.78 39.12 1de3 n ASN 141 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1de3 n GLN 142 N 0.04 0.00 -1.09 1.20 6.02 -0.35 -4.90 117.38 118.30 1de3 n GLN 142 Ca -0.01 0.00 -0.35 0.00 -0.01 0.00 0.00 57.00 56.63 1de3 n GLN 142 Cb 0.67 -0.49 0.07 0.00 1.02 0.00 0.00 30.24 31.51 1de3 n GLN 142 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1de3 n GLY 143 N 2.16 -2.37 3.14 1.08 0.00 -0.42 -4.62 105.19 104.16 1de3 n GLY 143 Ca 0.00 -0.54 -0.58 0.00 0.00 0.00 0.00 46.02 44.90 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 -0.22 0.00 -1.54 1.61 0.28 -1.26 -3.27 120.64 116.24 1de3 n GLU 144 Ca 0.07 0.00 -0.35 0.00 -0.16 0.00 0.00 57.16 56.72 1de3 n GLU 144 Cb 0.52 -1.39 -0.06 0.00 1.43 0.00 0.00 31.44 31.93 1de3 n GLU 144 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 1de3 n LEU 145 N 6.13 1.73 -4.80 -1.84 4.77 -1.26 -1.86 117.00 119.87 1de3 n LEU 145 Ca 0.45 -0.43 -0.37 0.00 -0.03 0.00 0.00 56.01 55.63 1de3 n LEU 145 Cb -0.04 -1.42 -0.06 0.00 -2.33 0.00 0.00 43.42 39.57 1de3 n LEU 145 CO 0.82 -1.47 0.51 -0.75 -1.33 0.00 0.00 177.39 175.18 1de3 s LYS 146 N 8.47 4.42 -0.78 3.23 2.20 0.65 -4.82 119.74 133.12 1de3 s LYS 146 Ca 1.07 1.08 -0.24 0.00 -0.36 0.00 0.00 55.97 57.52 1de3 s LYS 146 Cb -0.43 -2.90 0.05 0.00 -1.51 0.00 0.00 37.83 33.04 1de3 s LYS 146 CO 0.31 0.37 1.20 -1.17 -0.36 0.00 0.00 175.35 175.70 1de3 s LEU 147 N -1.90 3.74 0.97 5.43 2.96 -1.26 -0.22 118.68 128.39 1de3 s LEU 147 Ca 0.45 -0.91 -0.14 0.00 -0.22 0.00 0.00 54.13 53.30 1de3 s LEU 147 Cb -0.18 -2.51 -0.03 0.00 0.50 0.00 0.00 46.19 43.97 1de3 s LEU 147 CO 0.23 -1.60 -0.06 0.00 -1.32 0.00 0.00 176.35 173.60 1de3 s SER 149 N -1.63 0.21 0.00 0.00 0.01 -0.93 -4.59 113.70 106.76 1de3 s SER 149 Ca 0.50 -1.32 0.03 0.00 1.31 0.00 0.00 55.95 56.47 1de3 s SER 149 Cb -0.20 0.35 0.02 0.00 0.21 0.00 0.00 66.02 66.40 1de3 s SER 149 CO 0.73 -0.80 0.59 0.00 0.41 0.00 0.00 173.24 174.17