#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1de3 s VAL 2 N 0.00 4.09 -0.65 0.00 1.01 -1.26 -4.82 120.40 118.77 1de3 s VAL 2 Ca 0.00 0.94 -0.02 0.00 0.00 0.00 0.00 61.98 62.89 1de3 s VAL 2 Cb 0.00 -3.51 0.17 0.00 0.00 0.00 0.00 36.38 33.04 1de3 s VAL 2 CO 0.00 -0.64 0.47 -0.89 0.00 0.00 0.00 175.10 174.04 1de3 s THR 3 N -2.62 3.73 -0.46 3.92 2.01 -1.26 -0.16 115.64 120.80 1de3 s THR 3 Ca 0.61 -3.10 -0.28 0.00 0.31 0.00 0.00 61.69 59.23 1de3 s THR 3 Cb -0.14 -3.42 0.03 0.00 0.01 0.00 0.00 72.50 68.98 1de3 s THR 3 CO 0.38 -0.90 1.05 0.26 -0.69 0.00 0.00 174.62 174.72 1de3 s TRP 4 N -0.24 2.87 -0.20 4.92 0.52 0.38 -3.94 118.94 123.25 1de3 s TRP 4 Ca 0.18 0.61 -0.04 0.00 0.02 0.00 0.00 56.10 56.87 1de3 s TRP 4 Cb -0.19 -4.22 -0.02 0.00 -1.15 0.00 0.00 33.47 27.90 1de3 s TRP 4 CO -0.04 -1.18 -0.03 0.99 0.02 0.00 0.00 176.95 176.71 1de3 s THR 5 N 4.14 3.64 -0.15 2.01 2.01 0.60 0.17 115.64 128.07 1de3 s THR 5 Ca 0.44 -0.42 -0.01 0.00 0.31 0.00 0.00 61.69 62.01 1de3 s THR 5 Cb -0.09 -2.64 -0.01 0.00 0.01 0.00 0.00 72.50 69.77 1de3 s THR 5 CO 0.29 0.44 -0.11 0.00 -0.69 0.00 0.00 174.62 174.54 1de3 s LEU 7 N 0.53 5.68 0.06 0.00 1.43 -1.26 0.32 118.68 125.43 1de3 s LEU 7 Ca -0.08 -2.70 -0.09 0.00 -1.03 0.00 0.00 54.13 50.23 1de3 s LEU 7 Cb -0.15 -2.32 -0.06 0.00 0.03 0.00 0.00 46.19 43.69 1de3 s LEU 7 CO 0.04 -0.74 0.37 0.20 0.23 0.00 0.00 176.35 176.45 1de3 s ASN 8 N 2.69 6.61 0.26 2.29 0.02 -1.03 -4.61 114.94 121.17 1de3 s ASN 8 Ca 0.31 0.74 -0.19 0.00 -1.02 0.00 0.00 52.86 52.70 1de3 s ASN 8 Cb -0.06 -2.16 -0.09 0.00 0.02 0.00 0.00 41.25 38.96 1de3 s ASN 8 CO -0.07 0.19 0.76 -0.62 0.02 0.00 0.00 177.10 177.39 1de3 s ASP 9 N -1.73 7.02 -0.11 -1.22 -1.08 -1.26 -1.68 116.67 116.60 1de3 s ASP 9 Ca 0.32 1.45 -0.03 0.00 -0.52 0.00 0.00 52.55 53.76 1de3 s ASP 9 Cb -0.14 -2.43 0.05 0.00 -1.46 0.00 0.00 42.92 38.93 1de3 s ASP 9 CO 0.18 -0.05 0.06 -1.10 0.52 0.00 0.00 175.17 174.78 1de3 s GLN 10 N -2.25 0.16 -1.08 4.34 -0.21 0.13 -0.65 119.66 120.09 1de3 s GLN 10 Ca 0.47 0.06 -0.20 0.00 0.02 0.00 0.00 55.36 55.72 1de3 s GLN 10 Cb -0.15 -1.29 0.09 0.00 1.00 0.00 0.00 33.01 32.66 1de3 s GLN 10 CO 0.20 -0.50 1.44 0.21 -2.12 0.00 0.00 175.29 174.52 1de3 s LYS 11 N 2.09 3.74 0.14 2.91 2.20 -1.26 -0.62 119.74 128.94 1de3 s LYS 11 Ca 0.03 -1.63 -0.31 0.00 -0.36 0.00 0.00 55.97 53.70 1de3 s LYS 11 Cb -0.14 -5.26 -0.10 0.00 -1.51 0.00 0.00 37.83 30.82 1de3 s LYS 11 CO -0.06 -2.07 1.64 1.21 -0.36 0.00 0.00 175.35 175.71 1de3 s ASN 12 N 4.25 6.55 0.35 1.43 2.47 -0.17 -4.84 114.94 124.99 1de3 s ASN 12 Ca 0.44 2.62 0.17 0.00 0.42 0.00 0.00 52.86 56.52 1de3 s ASN 12 Cb -0.01 -2.58 0.58 0.00 -1.45 0.00 0.00 41.25 37.80 1de3 s ASN 12 CO -0.05 -0.88 1.69 1.55 -3.72 0.00 0.00 177.10 175.69 1de3 h PRO 13 N 7.46 0.00 -0.25 0.43 0.13 -1.94 0.16 132.00 137.99 1de3 h PRO 13 Ca -0.43 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1de3 h PRO 13 Cb 1.20 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 1de3 h PRO 13 CO 0.93 0.42 0.14 -0.22 -0.23 0.00 0.00 178.00 179.04 1de3 h LYS 14 N 0.00 0.35 -0.02 0.86 1.63 -1.96 -2.89 116.57 114.55 1de3 h LYS 14 Ca -0.00 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.76 1de3 h LYS 14 Cb 0.97 -0.07 0.00 0.00 -0.60 0.00 0.00 32.23 32.53 1de3 h LYS 14 CO 0.05 0.30 -0.36 0.25 -3.45 0.00 0.00 179.45 176.25 1de3 n THR 15 N -4.86 0.00 -2.51 1.00 -2.24 -1.22 -4.96 114.28 99.49 1de3 n THR 15 Ca -0.03 -0.32 -0.05 0.00 -2.27 0.00 0.00 64.05 61.38 1de3 n THR 15 Cb 0.07 1.30 -0.00 0.00 -2.10 0.00 0.00 70.33 69.60 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 0.27 -2.07 -4.27 3.42 5.15 0.53 -4.91 115.26 113.38 1de3 n ASN 16 Ca 0.10 0.37 -0.21 0.00 -0.60 0.00 0.00 54.58 54.23 1de3 n ASN 16 Cb 0.48 -1.85 -0.12 0.00 -0.53 0.00 0.00 39.78 37.76 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 -5.04 1.10 -0.16 1.20 1.02 -1.01 -4.91 119.74 111.94 1de3 s LYS 17 Ca 0.01 -1.21 -0.19 0.00 0.02 0.00 0.00 55.97 54.61 1de3 s LYS 17 Cb -0.01 -1.20 -0.04 0.00 -0.52 0.00 0.00 37.83 36.06 1de3 s LYS 17 CO 0.01 0.26 0.51 0.71 -0.92 0.00 0.00 175.35 175.93 1de3 s TYR 18 N -1.58 3.44 0.05 3.18 2.02 -1.26 -0.99 117.35 122.22 1de3 s TYR 18 Ca 0.08 0.85 0.07 0.00 -0.37 0.00 0.00 57.07 57.70 1de3 s TYR 18 Cb -0.08 -2.63 -0.03 0.00 -0.40 0.00 0.00 41.96 38.83 1de3 s TYR 18 CO 0.04 0.02 -0.19 -1.21 -1.57 0.00 0.00 175.55 172.64 1de3 s GLU 19 N 1.16 1.24 -1.02 -0.62 2.02 0.21 -4.88 118.70 116.81 1de3 s GLU 19 Ca 0.26 -0.94 -0.10 0.00 0.02 0.00 0.00 54.97 54.21 1de3 s GLU 19 Cb -0.15 -1.36 0.26 0.00 0.10 0.00 0.00 34.13 32.98 1de3 s GLU 19 CO 0.10 0.34 0.99 0.99 0.02 0.00 0.00 175.26 177.70 1de3 s THR 20 N -0.88 5.76 0.54 3.63 2.01 -1.26 0.18 115.64 125.61 1de3 s THR 20 Ca 0.06 -3.22 -0.17 0.00 0.31 0.00 0.00 61.69 58.67 1de3 s THR 20 Cb -0.09 -4.49 -0.06 0.00 0.01 0.00 0.00 72.50 67.87 1de3 s THR 20 CO 0.02 -1.14 1.03 -0.54 -0.69 0.00 0.00 174.62 173.30 1de3 s LYS 21 N -0.90 3.64 -0.41 4.92 1.02 -0.68 -4.85 119.74 122.48 1de3 s LYS 21 Ca 0.27 1.16 -0.20 0.00 0.02 0.00 0.00 55.97 57.22 1de3 s LYS 21 Cb -0.10 -2.08 0.02 0.00 -0.52 0.00 0.00 37.83 35.14 1de3 s LYS 21 CO -0.08 -0.55 0.63 1.03 -0.92 0.00 0.00 175.35 175.46 1de3 s ARG 22 N -3.86 3.43 -1.05 1.68 0.52 -1.26 -2.48 118.95 115.93 1de3 s ARG 22 Ca 0.63 -0.22 -0.12 0.00 -0.52 0.00 0.00 55.73 55.49 1de3 s ARG 22 Cb -0.14 -3.90 0.22 0.00 0.52 0.00 0.00 34.95 31.66 1de3 s ARG 22 CO 0.31 -0.90 1.11 -0.51 0.02 0.00 0.00 175.30 175.33 1de3 s LEU 23 N 2.77 5.98 -0.09 2.53 1.02 0.15 -4.92 118.68 126.12 1de3 s LEU 23 Ca 0.23 -3.07 -0.30 0.00 0.02 0.00 0.00 54.13 51.01 1de3 s LEU 23 Cb -0.14 -2.28 -0.03 0.00 0.02 0.00 0.00 46.19 43.76 1de3 s LEU 23 CO 0.17 -0.55 1.24 -0.22 0.02 0.00 0.00 176.35 177.02 1de3 s LEU 24 N 0.18 4.25 -0.08 1.79 1.98 -1.26 -0.05 118.68 125.49 1de3 s LEU 24 Ca 0.31 1.80 0.05 0.00 -2.89 0.00 0.00 54.13 53.40 1de3 s LEU 24 Cb -0.08 -3.55 -0.00 0.00 0.66 0.00 0.00 46.19 43.22 1de3 s LEU 24 CO -0.07 -0.66 -0.24 -0.31 -1.89 0.00 0.00 176.35 173.18 1de3 s TYR 25 N 2.68 2.51 -0.22 5.38 1.51 0.13 -4.79 117.35 124.54 1de3 s TYR 25 Ca 0.56 -0.91 -0.27 0.00 -1.01 0.00 0.00 57.07 55.45 1de3 s TYR 25 Cb -0.24 -1.66 -0.00 0.00 -0.11 0.00 0.00 41.96 39.95 1de3 s TYR 25 CO 0.20 -0.33 0.92 1.21 -1.11 0.00 0.00 175.55 176.44 1de3 s ASN 26 N 0.12 6.97 0.28 2.29 3.84 -1.26 -0.47 114.94 126.70 1de3 s ASN 26 Ca -0.12 1.20 0.01 0.00 0.21 0.00 0.00 52.86 54.16 1de3 s ASN 26 Cb -0.16 -2.48 0.60 0.00 -0.55 0.00 0.00 41.25 38.66 1de3 s ASN 26 CO 0.07 -0.56 1.76 -0.61 -2.79 0.00 0.00 177.10 174.96 1de3 h GLN 27 N 7.53 0.61 -0.70 0.43 -0.00 -0.88 -0.60 115.11 121.51 1de3 h GLN 27 Ca -0.22 -0.04 0.13 0.00 -0.00 0.00 0.00 58.65 58.52 1de3 h GLN 27 Cb 1.09 -0.14 -0.09 0.00 0.00 0.00 0.00 27.48 28.33 1de3 h GLN 27 CO 0.91 0.41 0.22 -0.97 0.00 0.00 0.00 178.83 179.40 1de3 h ASN 28 N 0.63 0.15 0.27 -0.69 -0.73 -1.91 0.61 115.58 113.91 1de3 h ASN 28 Ca 0.50 0.12 -0.06 0.00 1.87 0.00 0.00 56.30 58.72 1de3 h ASN 28 Cb 0.76 0.12 -0.01 0.00 0.27 0.00 0.00 38.32 39.46 1de3 h ASN 28 CO -0.39 0.05 -0.29 0.11 -0.37 0.00 0.00 177.43 176.55 1de3 h LYS 29 N 0.36 0.03 0.12 6.67 6.56 -1.49 0.61 116.57 129.42 1de3 h LYS 29 Ca 0.38 -0.01 -0.01 0.00 -1.06 0.00 0.00 60.65 59.95 1de3 h LYS 29 Cb 0.58 -0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.24 1de3 h LYS 29 CO -0.42 0.32 -0.06 0.00 -2.06 0.00 0.00 179.45 177.23 1de3 h ALA 30 N 1.68 -0.27 -0.94 3.86 0.00 -0.49 -1.26 119.26 121.84 1de3 h ALA 30 Ca 0.00 -0.03 0.22 0.00 0.00 0.00 0.00 54.91 55.09 1de3 h ALA 30 Cb 0.53 0.06 -0.07 0.00 0.00 0.00 0.00 17.79 18.31 1de3 h ALA 30 CO 0.04 -0.26 0.62 1.05 0.00 0.00 0.00 179.25 180.70 1de3 h GLU 31 N -0.55 0.40 0.09 0.00 -0.00 0.27 -0.02 114.58 114.76 1de3 h GLU 31 Ca -0.02 -0.02 -0.00 0.00 -0.00 0.00 0.00 59.36 59.32 1de3 h GLU 31 Cb 0.12 -0.09 0.00 0.00 -0.00 0.00 0.00 28.75 28.78 1de3 h GLU 31 CO 0.03 0.26 -0.04 1.03 -0.00 0.00 0.00 179.01 180.29 1de3 h SER 32 N 0.41 -0.10 -0.15 3.06 0.87 0.12 0.14 113.55 117.90 1de3 h SER 32 Ca 0.50 -0.43 0.04 0.00 -1.23 0.00 0.00 61.79 60.67 1de3 h SER 32 Cb 1.24 0.03 -0.05 0.00 -0.44 0.00 0.00 62.40 63.18 1de3 h SER 32 CO -0.20 0.41 -0.15 -1.13 -0.53 0.00 0.00 176.83 175.23 1de3 h ASN 33 N -0.65 -0.48 -0.67 6.23 -0.73 -0.41 -0.58 115.58 118.30 1de3 h ASN 33 Ca -0.01 0.09 -0.01 0.00 1.87 0.00 0.00 56.30 58.24 1de3 h ASN 33 Cb 0.53 0.23 -0.03 0.00 0.27 0.00 0.00 38.32 39.31 1de3 h ASN 33 CO 0.02 -0.20 0.39 0.77 -0.37 0.00 0.00 177.43 178.05 1de3 h SER 34 N -0.18 0.83 0.41 1.15 4.64 -1.06 0.19 113.55 119.53 1de3 h SER 34 Ca 0.10 -0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 1de3 h SER 34 Cb 0.33 -0.21 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 1de3 h SER 34 CO -0.26 0.65 0.00 1.41 -0.87 0.00 0.00 176.83 177.76 1de3 n HIS 35 N -4.38 0.00 -0.11 4.77 8.25 0.48 -2.91 115.22 121.31 1de3 n HIS 35 Ca 0.07 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.29 1de3 n HIS 35 Cb 0.08 -0.42 -0.08 0.00 1.12 0.00 0.00 29.99 30.69 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 -1.42 0.00 -1.62 4.41 -0.00 -0.35 -5.00 115.22 111.23 1de3 n HIS 36 Ca 0.05 0.00 -0.44 0.00 -0.00 0.00 0.00 57.72 57.33 1de3 n HIS 36 Cb 0.15 -0.81 -0.01 0.00 -0.00 0.00 0.00 29.99 29.31 1de3 n HIS 36 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1de3 n ALA 37 N -4.05 0.24 -1.47 -1.41 0.00 0.53 -4.97 120.51 109.38 1de3 n ALA 37 Ca -0.44 0.38 -0.32 0.00 0.00 0.00 0.00 53.44 53.06 1de3 n ALA 37 Cb 0.81 -2.09 0.06 0.00 0.00 0.00 0.00 19.45 18.22 1de3 n ALA 37 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1de3 s PRO 38 N -1.67 2.75 -1.07 0.00 0.04 -1.26 -4.90 135.00 128.89 1de3 s PRO 38 Ca 0.58 1.15 -0.13 0.00 0.04 0.00 0.00 61.00 62.64 1de3 s PRO 38 Cb -0.66 -1.96 0.22 0.00 0.04 0.00 0.00 34.50 32.14 1de3 s PRO 38 CO 0.61 -1.26 1.15 -0.51 0.04 0.00 0.00 177.00 177.03 1de3 s LEU 39 N -5.36 5.87 -0.29 -3.56 1.43 -1.26 -4.49 118.68 111.01 1de3 s LEU 39 Ca 0.62 -3.07 -0.14 0.00 -1.03 0.00 0.00 54.13 50.51 1de3 s LEU 39 Cb -0.17 -2.29 0.13 0.00 0.03 0.00 0.00 46.19 43.90 1de3 s LEU 39 CO 0.50 -0.57 0.81 -0.94 0.23 0.00 0.00 176.35 176.37 1de3 s SER 40 N 2.20 -0.84 -0.33 2.29 1.04 -1.26 -5.00 113.70 111.80 1de3 s SER 40 Ca 0.32 1.22 -0.29 0.00 0.48 0.00 0.00 55.95 57.68 1de3 s SER 40 Cb -0.07 1.77 -0.00 0.00 0.10 0.00 0.00 66.02 67.82 1de3 s SER 40 CO -0.06 -0.18 1.42 -0.62 0.98 0.00 0.00 173.24 174.78 1de3 s ASP 41 N 2.28 6.46 -0.76 7.02 2.15 -1.18 -3.99 116.67 128.65 1de3 s ASP 41 Ca -0.06 1.14 -0.01 0.00 0.43 0.00 0.00 52.55 54.04 1de3 s ASP 41 Cb -0.08 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 40.01 1de3 s ASP 41 CO -0.18 -1.27 0.66 0.61 -0.17 0.00 0.00 175.17 174.82 1de3 n GLY 42 N 4.71 -1.24 1.08 2.66 0.00 -1.12 -4.43 105.19 106.85 1de3 n GLY 42 Ca 0.16 0.56 -0.01 0.00 0.00 0.00 0.00 46.02 46.74 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 -2.01 0.00 -4.28 1.61 4.81 -1.17 -5.01 118.16 112.11 1de3 n LYS 43 Ca -0.12 -1.31 -0.16 0.00 -0.87 0.00 0.00 58.31 55.85 1de3 n LYS 43 Cb 0.58 0.09 -0.10 0.00 0.02 0.00 0.00 35.03 35.62 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 0.25 0.01 3.15 2.01 -1.25 -5.01 115.64 114.81 1de3 s THR 44 Ca 0.14 -2.00 -0.04 0.00 0.31 0.00 0.00 61.69 60.10 1de3 s THR 44 Cb 0.16 -2.54 -0.02 0.00 0.01 0.00 0.00 72.50 70.12 1de3 s THR 44 CO -0.07 0.00 1.06 1.23 -0.69 0.00 0.00 174.62 176.15 1de3 h GLY 45 N 2.38 -1.36 1.26 4.40 0.00 -1.52 -0.75 103.07 107.49 1de3 h GLY 45 Ca -0.35 0.60 0.00 0.00 0.00 0.00 0.00 47.33 47.59 1de3 h GLY 45 CO 0.53 -0.50 0.00 -1.14 0.00 0.00 0.00 176.54 175.44 1de3 n SER 46 N -2.85 0.00 0.00 0.19 3.41 0.73 -3.89 113.62 111.20 1de3 n SER 46 Ca -0.01 -0.24 0.00 0.00 -0.26 0.00 0.00 58.87 58.36 1de3 n SER 46 Cb 0.05 -0.13 0.00 0.00 -0.26 0.00 0.00 64.21 63.87 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 -1.13 0.00 -4.76 4.04 2.88 -0.29 -5.01 113.62 109.35 1de3 n SER 47 Ca 0.10 0.00 -0.39 0.00 -1.33 0.00 0.00 58.87 57.25 1de3 n SER 47 Cb 0.08 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 63.57 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 -1.38 2.48 -0.11 0.66 2.02 -1.26 -2.80 117.35 116.96 1de3 s TYR 48 Ca 0.00 1.35 -0.30 0.00 -0.37 0.00 0.00 57.07 57.76 1de3 s TYR 48 Cb 0.00 -3.79 -0.02 0.00 -0.40 0.00 0.00 41.96 37.75 1de3 s TYR 48 CO 0.00 -2.68 1.14 -1.25 -1.57 0.00 0.00 175.55 171.19 1de3 s PRO 49 N -2.62 4.33 0.22 -1.71 0.04 -1.26 -4.53 135.00 129.48 1de3 s PRO 49 Ca 0.65 1.56 -0.08 0.00 0.04 0.00 0.00 61.00 63.17 1de3 s PRO 49 Cb -0.40 -3.60 -0.06 0.00 0.04 0.00 0.00 34.50 30.47 1de3 s PRO 49 CO 0.50 -0.49 0.51 -3.38 0.04 0.00 0.00 177.00 174.18 1de3 s HIS 50 N 2.54 3.45 0.30 0.56 -3.43 -1.20 -3.02 115.29 114.49 1de3 s HIS 50 Ca 0.52 0.75 -0.29 0.00 -0.80 0.00 0.00 55.06 55.24 1de3 s HIS 50 Cb -0.21 -2.17 -0.13 0.00 -1.43 0.00 0.00 32.58 28.64 1de3 s HIS 50 CO 0.17 0.28 1.34 1.87 -2.00 0.00 0.00 174.74 176.41 1de3 n TRP 51 N -0.27 2.26 -3.54 0.38 -0.00 -1.26 -0.54 117.44 114.47 1de3 n TRP 51 Ca -0.01 0.50 -0.41 0.00 -0.00 0.00 0.00 57.50 57.58 1de3 n TRP 51 Cb 0.53 -2.44 -0.07 0.00 -0.00 0.00 0.00 31.31 29.32 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 -0.68 3.48 0.31 5.87 5.36 0.16 -4.71 117.98 127.78 1de3 s PHE 52 Ca 0.60 -2.07 0.14 0.00 -0.96 0.00 0.00 56.93 54.64 1de3 s PHE 52 Cb -0.59 -3.50 1.06 0.00 -0.34 0.00 0.00 43.02 39.65 1de3 s PHE 52 CO 0.57 -0.96 1.40 0.25 -1.46 0.00 0.00 175.22 175.02 1de3 n THR 53 N 4.43 -0.37 -2.14 0.12 -2.24 -1.26 -4.54 114.28 108.28 1de3 n THR 53 Ca -0.01 1.84 -0.12 0.00 -2.27 0.00 0.00 64.05 63.49 1de3 n THR 53 Cb 0.41 -2.90 -0.02 0.00 -2.10 0.00 0.00 70.33 65.72 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 -5.08 -3.61 0.00 3.42 5.15 -1.26 -0.20 115.26 113.69 1de3 n ASN 54 Ca 0.30 0.23 0.00 0.00 -0.60 0.00 0.00 54.58 54.51 1de3 n ASN 54 Cb 1.03 -3.16 0.00 0.00 -0.53 0.00 0.00 39.78 37.12 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 -0.63 3.09 3.56 8.20 0.00 -1.26 -3.58 105.19 114.56 1de3 n GLY 55 Ca -0.13 -0.91 -0.36 0.00 0.00 0.00 0.00 46.02 44.62 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 0.15 0.19 1.61 4.02 0.73 -3.91 117.16 119.95 1de3 n TYR 56 Ca 0.00 0.39 0.09 0.00 -0.01 0.00 0.00 57.90 58.37 1de3 n TYR 56 Cb 0.00 -2.03 0.12 0.00 -0.02 0.00 0.00 39.34 37.42 1de3 n TYR 56 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 176.86 175.41 1de3 h ASP 57 N -0.21 0.00 0.00 7.72 3.32 -0.60 -3.43 116.42 123.22 1de3 h ASP 57 Ca -0.47 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.58 1de3 h ASP 57 Cb 1.34 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.89 1de3 h ASP 57 CO 0.46 0.14 0.00 0.61 -1.72 0.00 0.00 179.24 178.72 1de3 n GLY 58 N 1.14 1.77 1.21 2.75 0.00 -1.26 -5.00 105.19 105.80 1de3 n GLY 58 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 -1.23 -3.99 116.55 114.97 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 0.25 0.00 0.00 -0.72 0.00 0.00 41.12 40.65 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 -0.93 0.62 3.84 0.27 0.00 -1.26 -4.48 105.19 103.24 1de3 n GLY 60 Ca 0.00 -0.02 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 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 0.00 3.99 0.10 1.61 -0.14 -1.26 -4.86 119.74 119.18 1de3 s LYS 61 Ca 0.00 0.52 0.02 0.00 -1.36 0.00 0.00 55.97 55.15 1de3 s LYS 61 Cb 0.00 -2.86 -0.04 0.00 -1.68 0.00 0.00 37.83 33.26 1de3 s LYS 61 CO 0.00 0.43 0.21 -0.51 -0.76 0.00 0.00 175.35 174.71 1de3 s LEU 62 N -2.14 4.21 0.00 3.17 1.02 -1.26 0.11 118.68 123.79 1de3 s LEU 62 Ca 0.41 0.15 0.00 0.00 0.02 0.00 0.00 54.13 54.71 1de3 s LEU 62 Cb -0.14 -2.81 0.00 0.00 0.02 0.00 0.00 46.19 43.26 1de3 s LEU 62 CO 0.20 0.12 0.00 -0.81 0.02 0.00 0.00 176.35 175.87 1de3 n PRO 63 N -0.04 0.47 -1.91 1.29 -0.04 -1.25 -4.85 135.00 128.66 1de3 n PRO 63 Ca -0.07 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 62.97 1de3 n PRO 63 Cb 0.52 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.96 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 -0.90 3.19 0.00 0.54 2.47 -1.26 -3.44 119.74 120.35 1de3 s LYS 64 Ca 0.00 1.48 0.00 0.00 -1.56 0.00 0.00 55.97 55.89 1de3 s LYS 64 Cb 0.00 -4.26 0.00 0.00 -1.46 0.00 0.00 37.83 32.11 1de3 s LYS 64 CO 0.00 -2.03 0.00 0.41 0.16 0.00 0.00 175.35 173.89 1de3 n GLY 65 N 5.53 0.43 3.61 5.54 0.00 -1.26 -5.00 105.19 114.04 1de3 n GLY 65 Ca 0.25 -0.55 -0.43 0.00 0.00 0.00 0.00 46.02 45.28 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 -2.33 3.30 -0.38 1.61 3.00 -1.22 -4.90 118.95 118.03 1de3 s ARG 66 Ca 0.00 2.03 0.11 0.00 0.00 0.00 0.00 55.73 57.88 1de3 s ARG 66 Cb 0.00 -4.32 0.34 0.00 0.00 0.00 0.00 34.95 30.97 1de3 s ARG 66 CO 0.00 -1.91 0.73 -2.37 0.00 0.00 0.00 175.30 171.75 1de3 n THR 67 N 7.39 -0.20 -2.37 0.02 5.66 -1.26 -5.12 114.28 118.40 1de3 n THR 67 Ca 0.27 -4.40 -0.42 0.00 -3.05 0.00 0.00 64.05 56.45 1de3 n THR 67 Cb 0.45 -0.29 -0.03 0.00 -1.55 0.00 0.00 70.33 68.90 1de3 n THR 67 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 175.07 169.86 1de3 s PRO 68 N -2.21 4.41 -0.28 1.09 0.04 -1.26 -4.59 135.00 132.19 1de3 s PRO 68 Ca 0.39 1.83 -0.28 0.00 0.04 0.00 0.00 61.00 62.98 1de3 s PRO 68 Cb 0.33 -3.34 -0.05 0.00 0.04 0.00 0.00 34.50 31.49 1de3 s PRO 68 CO -0.08 -0.30 2.16 0.42 0.04 0.00 0.00 177.00 179.24 1de3 s ILE 69 N 1.13 3.10 -0.36 0.56 1.01 -1.24 -4.92 121.20 120.48 1de3 s ILE 69 Ca 0.60 0.10 -0.26 0.00 0.00 0.00 0.00 60.65 61.09 1de3 s ILE 69 Cb -0.31 -3.15 0.01 0.00 0.01 0.00 0.00 42.46 39.03 1de3 s ILE 69 CO 0.29 -0.10 0.93 -0.75 0.00 0.00 0.00 174.94 175.31 1de3 s LYS 70 N 6.49 3.85 0.00 2.79 2.47 -1.26 -4.91 119.74 129.18 1de3 s LYS 70 Ca 0.96 0.60 0.03 0.00 -1.56 0.00 0.00 55.97 55.99 1de3 s LYS 70 Cb -0.29 -3.80 -0.25 0.00 -1.46 0.00 0.00 37.83 32.04 1de3 s LYS 70 CO 0.33 -0.93 0.85 0.74 0.16 0.00 0.00 175.35 176.50 1de3 h PHE 71 N 8.45 0.25 0.00 4.03 0.04 -1.94 -3.49 116.94 124.28 1de3 h PHE 71 Ca -0.23 -0.18 0.00 0.00 2.80 0.00 0.00 57.97 60.36 1de3 h PHE 71 Cb 1.08 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 39.22 1de3 h PHE 71 CO 0.83 1.24 0.00 0.41 -0.60 0.00 0.00 178.31 180.19 1de3 n GLY 72 N 1.60 1.41 2.80 -1.45 0.00 -1.26 -5.06 105.19 103.23 1de3 n GLY 72 Ca -0.14 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.09 0.95 0.66 1.61 -0.14 -1.26 -4.99 119.74 116.47 1de3 s LYS 73 Ca 0.00 -0.45 0.23 0.00 -1.36 0.00 0.00 55.97 54.39 1de3 s LYS 73 Cb 0.00 -2.01 1.25 0.00 -1.68 0.00 0.00 37.83 35.39 1de3 s LYS 73 CO 0.00 -0.55 1.71 1.03 -0.76 0.00 0.00 175.35 176.78 1de3 h SER 74 N 8.19 0.00 0.41 2.83 0.87 -1.99 0.19 113.55 124.06 1de3 h SER 74 Ca -0.19 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.35 1de3 h SER 74 Cb 1.11 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.08 1de3 h SER 74 CO 0.35 0.00 -0.20 0.44 -0.53 0.00 0.00 176.83 176.89 1de3 h ASP 75 N 0.00 -0.47 0.31 6.23 5.19 -1.96 0.34 116.42 126.07 1de3 h ASP 75 Ca 0.03 0.02 -0.01 0.00 -0.62 0.00 0.00 57.03 56.45 1de3 h ASP 75 Cb 1.06 0.12 -0.00 0.00 0.18 0.00 0.00 39.33 40.69 1de3 h ASP 75 CO -0.00 -0.27 -0.04 0.00 -3.12 0.00 0.00 179.24 175.81 1de3 n ASP 77 N -3.36 0.58 -4.46 0.00 2.03 -0.06 -4.95 116.55 106.33 1de3 n ASP 77 Ca -0.02 0.35 -0.32 0.00 0.52 0.00 0.00 54.79 55.32 1de3 n ASP 77 Cb 0.17 -0.36 0.15 0.00 -0.72 0.00 0.00 41.12 40.35 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 -1.98 -0.60 -2.14 -0.67 1.85 0.12 -4.89 116.66 108.35 1de3 n ARG 78 Ca 0.05 -0.13 -0.43 0.00 -1.00 0.00 0.00 57.85 56.34 1de3 n ARG 78 Cb 0.40 -1.97 -0.02 0.00 -1.05 0.00 0.00 32.46 29.82 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 -3.88 3.75 -0.61 2.89 0.04 -1.26 -4.94 135.00 130.99 1de3 s PRO 79 Ca 0.60 1.57 -0.27 0.00 0.04 0.00 0.00 61.00 62.94 1de3 s PRO 79 Cb -0.21 -4.04 -0.00 0.00 0.04 0.00 0.00 34.50 30.29 1de3 s PRO 79 CO 0.65 -1.35 1.62 -1.25 0.04 0.00 0.00 177.00 176.71 1de3 s PRO 80 N 4.75 2.95 -1.47 0.56 0.04 -1.26 -4.90 135.00 135.67 1de3 s PRO 80 Ca 0.71 0.42 -0.13 0.00 0.04 0.00 0.00 61.00 62.04 1de3 s PRO 80 Cb -0.23 -4.27 0.03 0.00 0.04 0.00 0.00 34.50 30.07 1de3 s PRO 80 CO 0.29 -2.36 2.31 1.17 0.04 0.00 0.00 177.00 178.45 1de3 n LYS 81 N 9.07 3.02 -2.66 4.56 3.00 -1.25 -3.47 118.16 130.43 1de3 n LYS 81 Ca 0.15 -2.60 -0.43 0.00 -0.00 0.00 0.00 58.31 55.43 1de3 n LYS 81 Cb 0.50 -3.20 -0.02 0.00 0.00 0.00 0.00 35.03 32.31 1de3 n LYS 81 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.40 175.82 1de3 s HIS 82 N 2.88 3.35 0.00 5.64 5.65 -1.26 -3.94 115.29 127.61 1de3 s HIS 82 Ca 0.50 1.47 0.00 0.00 0.25 0.00 0.00 55.06 57.28 1de3 s HIS 82 Cb 0.14 -3.26 0.00 0.00 -1.18 0.00 0.00 32.58 28.28 1de3 s HIS 82 CO -0.08 -0.47 0.00 0.45 -0.65 0.00 0.00 174.74 173.99 1de3 n SER 83 N 6.27 0.00 0.35 9.88 2.88 -1.26 -4.76 113.62 126.97 1de3 n SER 83 Ca 0.12 0.00 -0.14 0.00 -1.33 0.00 0.00 58.87 57.52 1de3 n SER 83 Cb 0.46 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.86 1de3 n SER 83 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 1de3 h LYS 84 N 0.00 -0.86 -0.47 -1.46 6.56 -1.96 -3.26 116.57 115.11 1de3 h LYS 84 Ca 0.00 0.06 -0.01 0.00 -1.06 0.00 0.00 60.65 59.64 1de3 h LYS 84 Cb 0.00 0.20 -0.01 0.00 -0.57 0.00 0.00 32.23 31.85 1de3 h LYS 84 CO 0.00 -0.57 0.01 -0.40 -2.06 0.00 0.00 179.45 176.43 1de3 n ASP 85 N -4.54 5.04 -3.99 0.86 5.68 -1.26 -4.93 116.55 113.40 1de3 n ASP 85 Ca -0.11 -2.99 -0.28 0.00 -0.50 0.00 0.00 54.79 50.90 1de3 n ASP 85 Cb 0.35 -0.64 -0.01 0.00 -1.14 0.00 0.00 41.12 39.68 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 0.17 -0.32 2.66 6.12 0.00 -1.23 -3.12 105.19 109.46 1de3 n GLY 86 Ca 0.26 0.15 -0.13 0.00 0.00 0.00 0.00 46.02 46.31 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 -3.95 -0.25 0.00 1.61 2.47 -1.26 -4.13 114.94 109.44 1de3 s ASN 87 Ca 0.29 -2.13 0.00 0.00 0.42 0.00 0.00 52.86 51.44 1de3 s ASN 87 Cb -0.15 0.99 0.00 0.00 -1.45 0.00 0.00 41.25 40.64 1de3 s ASN 87 CO 0.88 -0.12 0.00 0.61 -3.72 0.00 0.00 177.10 174.76 1de3 n GLY 88 N 3.10 0.97 0.10 1.21 0.00 -1.26 -4.93 105.19 104.37 1de3 n GLY 88 Ca 0.21 -0.57 -0.11 0.00 0.00 0.00 0.00 46.02 45.55 1de3 n GLY 88 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1de3 n LYS 89 N 0.00 0.67 -1.22 1.61 3.00 -1.26 -4.66 118.16 116.30 1de3 n LYS 89 Ca 0.00 0.15 -0.04 0.00 -0.00 0.00 0.00 58.31 58.42 1de3 n LYS 89 Cb 0.00 -1.65 -0.04 0.00 0.00 0.00 0.00 35.03 33.34 1de3 n LYS 89 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 1de3 n THR 90 N -2.96 0.02 -1.33 3.15 -2.24 -1.26 -5.14 114.28 104.52 1de3 n THR 90 Ca -0.27 -0.31 -0.40 0.00 -2.27 0.00 0.00 64.05 60.80 1de3 n THR 90 Cb 1.09 0.65 0.01 0.00 -2.10 0.00 0.00 70.33 69.98 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 0.03 -2.54 -2.91 3.42 -0.08 -1.26 -4.96 116.55 108.25 1de3 n ASP 91 Ca -0.19 0.77 -0.13 0.00 -1.51 0.00 0.00 54.79 53.72 1de3 n ASP 91 Cb 0.81 -0.95 0.04 0.00 2.34 0.00 0.00 41.12 43.36 1de3 n ASP 91 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1de3 n HIS 92 N -1.25 -1.76 -3.44 -0.67 1.44 -1.25 -4.27 115.22 104.02 1de3 n HIS 92 Ca 0.10 -2.74 -0.32 0.00 -2.01 0.00 0.00 57.72 52.75 1de3 n HIS 92 Cb 0.43 0.83 -0.05 0.00 0.12 0.00 0.00 29.99 31.32 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 -0.67 3.44 -0.37 -1.40 -0.85 -1.26 -3.74 117.35 112.50 1de3 s TYR 93 Ca 0.30 0.85 -0.29 0.00 -0.52 0.00 0.00 57.07 57.41 1de3 s TYR 93 Cb 0.30 -2.24 0.00 0.00 0.38 0.00 0.00 41.96 40.40 1de3 s TYR 93 CO -0.08 0.29 1.39 -0.51 -1.52 0.00 0.00 175.55 175.13 1de3 s LEU 94 N -2.76 3.69 0.47 -3.49 1.43 -1.26 -3.87 118.68 112.90 1de3 s LEU 94 Ca 0.46 0.99 -0.07 0.00 -1.03 0.00 0.00 54.13 54.49 1de3 s LEU 94 Cb -0.11 -3.54 -0.04 0.00 0.03 0.00 0.00 46.19 42.52 1de3 s LEU 94 CO 0.21 -1.32 0.80 -0.76 0.23 0.00 0.00 176.35 175.51 1de3 s LEU 95 N 5.11 3.65 -0.28 1.79 1.02 -0.32 0.38 118.68 130.03 1de3 s LEU 95 Ca 0.61 1.01 -0.02 0.00 0.02 0.00 0.00 54.13 55.74 1de3 s LEU 95 Cb -0.15 -3.95 0.09 0.00 0.02 0.00 0.00 46.19 42.19 1de3 s LEU 95 CO 0.30 -0.56 0.09 -0.70 0.02 0.00 0.00 176.35 175.50 1de3 s GLU 96 N -4.57 0.53 -0.09 1.70 2.12 0.30 -3.23 118.70 115.47 1de3 s GLU 96 Ca 0.49 -0.77 -0.10 0.00 0.36 0.00 0.00 54.97 54.95 1de3 s GLU 96 Cb -0.10 -1.77 -0.05 0.00 0.26 0.00 0.00 34.13 32.47 1de3 s GLU 96 CO 0.42 -0.92 0.23 0.12 -0.54 0.00 0.00 175.26 174.57 1de3 s PHE 97 N 1.82 3.63 -0.99 5.30 2.19 -0.81 -3.28 117.98 125.83 1de3 s PHE 97 Ca 0.07 0.67 -0.24 0.00 0.33 0.00 0.00 56.93 57.77 1de3 s PHE 97 Cb -0.17 -2.07 -0.03 0.00 -1.31 0.00 0.00 43.02 39.45 1de3 s PHE 97 CO -0.25 0.68 1.83 -1.25 1.83 0.00 0.00 175.22 178.06 1de3 s PRO 98 N -0.95 2.85 -0.20 10.12 0.04 -1.26 -0.87 135.00 144.73 1de3 s PRO 98 Ca 0.18 -0.70 -0.26 0.00 0.04 0.00 0.00 61.00 60.25 1de3 s PRO 98 Cb -0.13 -5.18 -0.01 0.00 0.04 0.00 0.00 34.50 29.22 1de3 s PRO 98 CO 0.07 -3.16 0.88 -0.08 0.04 0.00 0.00 177.00 174.75 1de3 s THR 99 N 8.80 4.82 0.22 1.26 -1.32 -1.20 -4.79 115.64 123.43 1de3 s THR 99 Ca 0.64 1.71 -0.07 0.00 -1.21 0.00 0.00 61.69 62.76 1de3 s THR 99 Cb -0.04 -4.17 -0.06 0.00 -1.51 0.00 0.00 72.50 66.72 1de3 s THR 99 CO -0.00 -0.05 0.50 -0.36 -2.21 0.00 0.00 174.62 172.50 1de3 s PHE 100 N 2.58 3.45 0.07 9.09 0.40 -1.26 -4.41 117.98 127.90 1de3 s PHE 100 Ca 0.39 0.72 -0.15 0.00 -0.60 0.00 0.00 56.93 57.29 1de3 s PHE 100 Cb -0.16 -2.14 -0.24 0.00 0.51 0.00 0.00 43.02 40.99 1de3 s PHE 100 CO 0.10 0.29 1.17 -1.00 0.70 0.00 0.00 175.22 176.48 1de3 h PRO 101 N 2.39 0.67 -1.29 0.24 0.13 -1.92 -3.10 132.00 129.12 1de3 h PRO 101 Ca -0.47 -0.74 0.38 0.00 -0.87 0.00 0.00 66.00 64.30 1de3 h PRO 101 Cb 1.17 0.21 -0.09 0.00 0.13 0.00 0.00 31.00 32.43 1de3 h PRO 101 CO 0.69 1.31 0.88 -0.44 -0.23 0.00 0.00 178.00 180.22 1de3 h ASP 102 N 0.33 0.18 0.00 1.44 5.19 -1.96 -3.43 116.42 118.18 1de3 h ASP 102 Ca -0.13 0.06 0.00 0.00 -0.62 0.00 0.00 57.03 56.34 1de3 h ASP 102 Cb 1.68 0.04 0.00 0.00 0.18 0.00 0.00 39.33 41.23 1de3 h ASP 102 CO 0.20 -0.03 0.00 0.61 -3.12 0.00 0.00 179.24 176.91 1de3 n GLY 103 N -1.65 0.78 3.89 2.75 0.00 -1.17 -5.07 105.19 104.72 1de3 n GLY 103 Ca 0.31 -0.35 -0.29 0.00 0.00 0.00 0.00 46.02 45.69 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 3.50 -1.13 1.61 -3.43 -1.26 -4.96 115.29 107.62 1de3 s HIS 104 Ca 0.00 0.89 -0.09 0.00 -0.80 0.00 0.00 55.06 55.06 1de3 s HIS 104 Cb 0.00 -2.33 0.27 0.00 -1.43 0.00 0.00 32.58 29.09 1de3 s HIS 104 CO 0.00 -0.10 1.15 -0.40 -2.00 0.00 0.00 174.74 173.39 1de3 n ASP 105 N -1.51 5.52 -3.57 7.38 5.68 -1.26 -4.44 116.55 124.34 1de3 n ASP 105 Ca 0.01 -3.04 -0.42 0.00 -0.50 0.00 0.00 54.79 50.84 1de3 n ASP 105 Cb 0.54 -1.39 -0.04 0.00 -1.14 0.00 0.00 41.12 39.09 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 2.87 -0.01 -1.28 2.11 9.36 -1.26 -4.70 117.16 124.26 1de3 n TYR 106 Ca 0.25 0.81 -0.32 0.00 3.32 0.00 0.00 57.90 61.96 1de3 n TYR 106 Cb 0.39 -1.62 -0.09 0.00 -0.63 0.00 0.00 39.34 37.39 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 0.97 0.68 0.05 2.98 2.85 -1.26 -4.64 118.16 119.79 1de3 n LYS 107 Ca 0.15 -1.69 0.10 0.00 -1.05 0.00 0.00 58.31 55.82 1de3 n LYS 107 Cb 0.14 -3.26 0.41 0.00 -0.65 0.00 0.00 35.03 31.67 1de3 n LYS 107 CO 0.00 0.00 0.00 1.97 -0.05 0.00 0.00 177.40 179.32 1de3 n PHE 108 N 12.98 0.30 1.04 5.58 1.16 -1.26 -1.79 117.46 135.47 1de3 n PHE 108 Ca 0.45 0.11 0.11 0.00 -1.87 0.00 0.00 57.45 56.26 1de3 n PHE 108 Cb 0.44 -0.68 0.10 0.00 -1.61 0.00 0.00 39.48 37.72 1de3 n PHE 108 CO 0.00 0.00 0.00 -0.25 -1.87 0.00 0.00 176.76 174.64 1de3 n ASP 109 N -1.77 1.00 -4.42 5.98 9.92 -1.26 -0.19 116.55 125.80 1de3 n ASP 109 Ca 0.04 -0.82 -0.44 0.00 -0.53 0.00 0.00 54.79 53.04 1de3 n ASP 109 Cb 0.22 0.54 -0.03 0.00 -0.64 0.00 0.00 41.12 41.21 1de3 n ASP 109 CO 0.00 0.00 0.00 -0.55 0.13 0.00 0.00 177.20 176.78 1de3 s SER 110 N -2.84 6.36 0.02 -2.24 0.15 -0.74 -3.27 113.70 111.14 1de3 s SER 110 Ca 0.13 -1.56 -0.13 0.00 0.70 0.00 0.00 55.95 55.09 1de3 s SER 110 Cb 0.17 -2.37 -0.07 0.00 -1.71 0.00 0.00 66.02 62.04 1de3 s SER 110 CO 0.71 -1.18 1.14 0.50 1.20 0.00 0.00 173.24 175.62 1de3 h LYS 111 N 9.12 -0.44 -4.21 5.44 3.64 -1.86 -3.15 116.57 125.11 1de3 h LYS 111 Ca -0.12 0.03 -0.52 0.00 -1.27 0.00 0.00 60.65 58.78 1de3 h LYS 111 Cb 1.06 0.10 -0.37 0.00 -0.41 0.00 0.00 32.23 32.61 1de3 h LYS 111 CO 1.11 -0.29 -0.80 -1.59 -2.27 0.00 0.00 179.45 175.61 1de3 s LYS 112 N -3.91 1.46 0.96 1.90 0.00 -1.26 -3.72 119.74 115.17 1de3 s LYS 112 Ca -0.07 -0.24 -0.16 0.00 0.00 0.00 0.00 55.97 55.50 1de3 s LYS 112 Cb 0.01 -1.51 0.23 0.00 0.00 0.00 0.00 37.83 36.55 1de3 s LYS 112 CO 0.20 -0.24 1.20 -0.35 0.00 0.00 0.00 175.35 176.16 1de3 n PRO 113 N 4.84 -1.60 -3.19 1.78 -0.04 -1.26 -5.18 135.00 130.35 1de3 n PRO 113 Ca -0.13 -1.86 0.02 0.00 -0.04 0.00 0.00 63.50 61.49 1de3 n PRO 113 Cb 0.50 -1.33 -0.02 0.00 -0.04 0.00 0.00 33.50 32.61 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 -5.63 0.54 0.51 0.54 2.20 -1.24 -4.75 119.74 111.90 1de3 s LYS 114 Ca 0.70 0.94 -0.22 0.00 -0.36 0.00 0.00 55.97 57.03 1de3 s LYS 114 Cb -0.03 0.40 -0.06 0.00 -1.51 0.00 0.00 37.83 36.64 1de3 s LYS 114 CO 0.50 -0.61 1.24 -2.00 -0.36 0.00 0.00 175.35 174.11 1de3 s GLU 115 N 2.81 3.41 0.31 4.03 2.12 -1.26 -4.98 118.70 125.14 1de3 s GLU 115 Ca 0.19 1.95 -0.28 0.00 0.36 0.00 0.00 54.97 57.19 1de3 s GLU 115 Cb -0.15 -2.27 -0.13 0.00 0.26 0.00 0.00 34.13 31.84 1de3 s GLU 115 CO -0.20 -0.89 1.16 -1.71 -0.54 0.00 0.00 175.26 173.08 1de3 n ASN 116 N -0.87 2.06 -4.76 -1.70 5.15 -1.26 -4.96 115.26 108.92 1de3 n ASN 116 Ca 0.09 1.19 -0.30 0.00 -0.60 0.00 0.00 54.58 54.97 1de3 n ASN 116 Cb 0.47 -1.39 0.11 0.00 -0.53 0.00 0.00 39.78 38.44 1de3 n ASN 116 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1de3 s PRO 117 N -1.69 1.78 0.87 1.20 0.04 -1.26 -5.06 135.00 130.89 1de3 s PRO 117 Ca 0.57 0.81 -0.12 0.00 0.04 0.00 0.00 61.00 62.30 1de3 s PRO 117 Cb -0.63 -1.87 0.11 0.00 0.04 0.00 0.00 34.50 32.15 1de3 s PRO 117 CO 0.61 -1.87 1.12 0.20 0.04 0.00 0.00 177.00 177.09 1de3 s GLY 118 N -3.61 1.60 -0.07 0.56 0.00 -1.26 -5.04 107.32 99.50 1de3 s GLY 118 Ca 0.62 -0.36 -0.21 0.00 0.00 0.00 0.00 44.72 44.77 1de3 s GLY 118 CO 0.56 0.15 0.80 -0.56 0.00 0.00 0.00 173.10 174.04 1de3 h PRO 119 N -1.37 -0.15 -6.73 2.90 0.13 -1.88 -3.45 132.00 121.44 1de3 h PRO 119 Ca -0.49 0.01 -0.50 0.00 -0.87 0.00 0.00 66.00 64.15 1de3 h PRO 119 Cb 1.30 0.03 -0.01 0.00 0.13 0.00 0.00 31.00 32.46 1de3 h PRO 119 CO 0.60 0.32 0.38 0.00 -0.23 0.00 0.00 178.00 179.07 1de3 s ALA 120 N -3.41 3.34 0.01 -0.56 0.00 -1.26 -3.60 121.76 116.28 1de3 s ALA 120 Ca -0.13 0.67 0.01 0.00 0.00 0.00 0.00 51.96 52.51 1de3 s ALA 120 Cb -0.00 -3.24 -0.01 0.00 0.00 0.00 0.00 23.12 19.87 1de3 s ALA 120 CO 0.47 0.10 -0.03 1.03 0.00 0.00 0.00 175.76 177.33 1de3 s ARG 121 N -1.05 0.25 0.23 0.00 0.52 0.17 -3.27 118.95 115.81 1de3 s ARG 121 Ca 0.43 -0.27 -0.26 0.00 -0.52 0.00 0.00 55.73 55.10 1de3 s ARG 121 Cb -0.27 -0.14 -0.09 0.00 0.52 0.00 0.00 34.95 34.98 1de3 s ARG 121 CO 0.33 0.03 0.85 0.54 0.02 0.00 0.00 175.30 177.07 1de3 s VAL 122 N -0.50 4.28 -0.03 3.52 0.11 -0.05 -0.81 120.40 126.92 1de3 s VAL 122 Ca -0.04 1.78 0.05 0.00 -2.93 0.00 0.00 61.98 60.85 1de3 s VAL 122 Cb -0.04 -4.13 -0.01 0.00 -1.53 0.00 0.00 36.38 30.67 1de3 s VAL 122 CO -0.00 0.40 -0.18 -0.63 -3.33 0.00 0.00 175.10 171.36 1de3 s ILE 123 N -1.30 1.43 -0.21 7.04 -1.09 -0.76 -1.92 121.20 124.38 1de3 s ILE 123 Ca 0.41 -0.75 -0.28 0.00 -2.23 0.00 0.00 60.65 57.80 1de3 s ILE 123 Cb -0.22 -1.21 0.13 0.00 -1.58 0.00 0.00 42.46 39.58 1de3 s ILE 123 CO 0.27 0.41 1.04 -0.72 -1.23 0.00 0.00 174.94 174.70 1de3 s TYR 124 N -0.22 -0.39 0.00 3.97 1.13 -1.20 -1.70 117.35 118.94 1de3 s TYR 124 Ca 0.02 0.80 0.00 0.00 -1.41 0.00 0.00 57.07 56.48 1de3 s TYR 124 Cb -0.09 0.42 0.00 0.00 -1.10 0.00 0.00 41.96 41.19 1de3 s TYR 124 CO 0.01 -0.28 0.00 0.25 -2.51 0.00 0.00 175.55 173.02 1de3 n THR 125 N 1.32 0.00 -3.61 -3.49 -2.24 -1.26 -1.17 114.28 103.83 1de3 n THR 125 Ca -0.11 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.56 1de3 n THR 125 Cb 0.57 -1.35 -0.07 0.00 -2.10 0.00 0.00 70.33 67.38 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 -0.42 -0.52 -2.00 4.78 5.04 -1.25 -1.92 117.35 121.07 1de3 s TYR 126 Ca 0.00 1.17 0.20 0.00 -2.44 0.00 0.00 57.07 56.00 1de3 s TYR 126 Cb 0.00 0.37 1.19 0.00 0.35 0.00 0.00 41.96 43.87 1de3 s TYR 126 CO 0.00 -0.31 1.64 -0.35 -1.34 0.00 0.00 175.55 175.19 1de3 n PRO 127 N 1.85 0.80 -0.15 4.97 -0.04 -1.26 -4.19 135.00 136.99 1de3 n PRO 127 Ca -0.13 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.29 1de3 n PRO 127 Cb 0.56 -1.39 0.02 0.00 -0.04 0.00 0.00 33.50 32.66 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 -0.70 -3.05 3.54 2.35 -1.96 -3.45 115.58 112.31 1de3 h ASN 128 Ca 0.00 0.17 -0.37 0.00 -0.55 0.00 0.00 56.30 55.55 1de3 h ASN 128 Cb 0.00 0.39 -0.03 0.00 0.05 0.00 0.00 38.32 38.73 1de3 h ASN 128 CO 0.00 -0.23 -0.46 0.29 -1.65 0.00 0.00 177.43 175.38 1de3 n LYS 129 N -5.40 -1.81 -1.87 0.81 5.02 -0.81 -4.85 118.16 109.26 1de3 n LYS 129 Ca 0.04 0.91 -0.22 0.00 -2.02 0.00 0.00 58.31 57.01 1de3 n LYS 129 Cb 0.30 -5.52 -0.07 0.00 -0.02 0.00 0.00 35.03 29.72 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 -2.88 3.30 -0.54 -0.18 1.01 -1.26 -4.68 120.40 115.17 1de3 s VAL 130 Ca 0.00 -0.36 -0.41 0.00 0.00 0.00 0.00 61.98 61.21 1de3 s VAL 130 Cb 0.00 -3.89 -0.18 0.00 0.00 0.00 0.00 36.38 32.31 1de3 s VAL 130 CO 0.00 -0.60 2.22 0.33 0.00 0.00 0.00 175.10 177.05 1de3 n PHE 131 N 16.05 1.14 -0.05 5.22 7.35 -1.26 -3.98 117.46 141.93 1de3 n PHE 131 Ca 0.43 0.65 -0.01 0.00 -0.76 0.00 0.00 57.45 57.76 1de3 n PHE 131 Cb 0.46 -2.33 -0.00 0.00 0.35 0.00 0.00 39.48 37.95 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 1.74 2.09 2.87 0.00 0.00 -1.22 -5.06 105.19 105.61 1de3 n GLY 133 Ca -0.02 -0.38 -0.17 0.00 0.00 0.00 0.00 46.02 45.45 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 -1.12 0.31 -0.02 -0.61 1.09 -1.26 -1.83 121.20 117.76 1de3 s ILE 134 Ca 0.00 -0.03 0.06 0.00 -1.10 0.00 0.00 60.65 59.58 1de3 s ILE 134 Cb 0.00 -0.36 -0.03 0.00 -1.06 0.00 0.00 42.46 41.02 1de3 s ILE 134 CO 0.00 0.16 -0.19 0.27 -0.10 0.00 0.00 174.94 175.08 1de3 s ILE 135 N 0.75 2.71 0.14 2.92 -5.25 0.01 -0.22 121.20 122.26 1de3 s ILE 135 Ca -0.08 -0.96 0.00 0.00 -0.99 0.00 0.00 60.65 58.62 1de3 s ILE 135 Cb -0.11 -2.06 -0.04 0.00 2.95 0.00 0.00 42.46 43.20 1de3 s ILE 135 CO -0.01 0.52 0.02 0.00 -1.79 0.00 0.00 174.94 173.67 1de3 s ALA 136 N -0.75 1.02 -0.28 2.27 0.00 -0.22 0.46 121.76 124.25 1de3 s ALA 136 Ca 0.12 -1.48 -0.20 0.00 0.00 0.00 0.00 51.96 50.40 1de3 s ALA 136 Cb -0.10 0.62 -0.01 0.00 0.00 0.00 0.00 23.12 23.62 1de3 s ALA 136 CO 0.01 -0.39 0.62 -1.01 0.00 0.00 0.00 175.76 174.99 1de3 s HIS 137 N -3.85 3.24 0.00 0.00 3.76 -1.24 0.47 115.29 117.68 1de3 s HIS 137 Ca 0.21 0.68 -0.03 0.00 -0.15 0.00 0.00 55.06 55.77 1de3 s HIS 137 Cb 0.07 -2.90 -0.14 0.00 1.11 0.00 0.00 32.58 30.71 1de3 s HIS 137 CO 0.01 -0.40 2.75 0.25 -0.85 0.00 0.00 174.74 176.50 1de3 n THR 138 N 5.29 2.40 0.00 1.30 -2.24 -1.26 -3.92 114.28 115.86 1de3 n THR 138 Ca -0.01 -0.99 0.00 0.00 -2.27 0.00 0.00 64.05 60.78 1de3 n THR 138 Cb 0.49 -1.75 0.00 0.00 -2.10 0.00 0.00 70.33 66.97 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 2.09 0.00 0.00 -0.78 4.81 -1.24 -4.35 118.16 118.69 1de3 n LYS 139 Ca 0.22 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.66 1de3 n LYS 139 Cb 0.69 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.74 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 -2.29 1.64 1.02 0.18 -1.52 120.64 119.67 1de3 n GLU 140 Ca 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 57.16 57.12 1de3 n GLU 140 Cb 0.00 0.00 0.07 0.00 -0.02 0.00 0.00 31.44 31.49 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 2.72 -0.58 -3.58 1.62 5.15 -1.26 -4.70 115.26 114.63 1de3 n ASN 141 Ca 0.00 -2.12 -0.13 0.00 -0.60 0.00 0.00 54.58 51.73 1de3 n ASN 141 Cb 0.00 0.30 -0.05 0.00 -0.53 0.00 0.00 39.78 39.50 1de3 n ASN 141 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1de3 s GLN 142 N -0.70 1.04 0.00 1.20 -2.07 -0.57 -4.98 119.66 113.57 1de3 s GLN 142 Ca 0.13 -0.31 0.00 0.00 -1.82 0.00 0.00 55.36 53.36 1de3 s GLN 142 Cb 0.33 0.47 0.00 0.00 -1.09 0.00 0.00 33.01 32.72 1de3 s GLN 142 CO -0.09 -0.38 0.00 0.41 -1.32 0.00 0.00 175.29 173.91 1de3 n GLY 143 N 0.32 1.09 3.04 2.60 0.00 -1.26 -3.63 105.19 107.34 1de3 n GLY 143 Ca -0.18 -1.76 -0.50 0.00 0.00 0.00 0.00 46.02 43.58 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 1.09 0.00 -1.68 1.61 0.28 -1.26 -4.59 120.64 116.09 1de3 n GLU 144 Ca 0.00 0.00 -0.46 0.00 -0.16 0.00 0.00 57.16 56.54 1de3 n GLU 144 Cb 0.00 -1.37 -0.04 0.00 1.43 0.00 0.00 31.44 31.46 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 7.65 3.60 -4.77 -1.84 4.32 -1.26 -4.30 117.00 120.40 1de3 n LEU 145 Ca 0.53 0.97 -0.38 0.00 -0.02 0.00 0.00 56.01 57.12 1de3 n LEU 145 Cb -0.02 -1.42 -0.06 0.00 -1.62 0.00 0.00 43.42 40.30 1de3 n LEU 145 CO 0.82 -0.01 0.10 -0.75 -1.22 0.00 0.00 177.39 176.33 1de3 s LYS 146 N 3.76 4.16 -0.44 3.23 2.20 0.18 -4.80 119.74 128.02 1de3 s LYS 146 Ca 0.90 0.34 -0.27 0.00 -0.36 0.00 0.00 55.97 56.58 1de3 s LYS 146 Cb -0.63 -3.35 -0.05 0.00 -1.51 0.00 0.00 37.83 32.29 1de3 s LYS 146 CO 0.47 0.38 2.17 -1.17 -0.36 0.00 0.00 175.35 176.84 1de3 s LEU 147 N -0.04 3.40 0.99 5.43 2.96 -1.26 -1.06 118.68 129.10 1de3 s LEU 147 Ca 0.23 1.10 -0.14 0.00 -0.22 0.00 0.00 54.13 55.09 1de3 s LEU 147 Cb -0.15 -2.84 0.05 0.00 0.50 0.00 0.00 46.19 43.75 1de3 s LEU 147 CO 0.10 -2.44 0.26 0.00 -1.32 0.00 0.00 176.35 172.95 1de3 s SER 149 N -1.94 1.01 0.00 0.00 0.01 -1.01 -4.73 113.70 107.03 1de3 s SER 149 Ca 0.56 -0.55 0.01 0.00 1.31 0.00 0.00 55.95 57.28 1de3 s SER 149 Cb -0.19 0.02 0.01 0.00 0.21 0.00 0.00 66.02 66.07 1de3 s SER 149 CO 0.68 -0.17 0.53 0.00 0.41 0.00 0.00 173.24 174.68