#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 3.10 -0.84 0.00 1.01 -1.26 -4.74 120.40 117.66 1de3 s VAL 2 Ca 0.00 0.98 -0.17 0.00 0.00 0.00 0.00 61.98 62.79 1de3 s VAL 2 Cb 0.00 -3.62 0.17 0.00 0.00 0.00 0.00 36.38 32.92 1de3 s VAL 2 CO 0.00 0.18 0.91 -0.89 0.00 0.00 0.00 175.10 175.31 1de3 s THR 3 N -0.42 5.15 -0.54 3.92 2.01 -1.26 0.35 115.64 124.85 1de3 s THR 3 Ca 0.53 -1.93 -0.22 0.00 0.31 0.00 0.00 61.69 60.37 1de3 s THR 3 Cb -0.37 -4.60 0.05 0.00 0.01 0.00 0.00 72.50 67.59 1de3 s THR 3 CO 0.43 -1.24 0.84 0.26 -0.69 0.00 0.00 174.62 174.21 1de3 s TRP 4 N 1.51 2.88 -0.11 4.92 0.52 -0.27 -4.00 118.94 124.38 1de3 s TRP 4 Ca 0.23 -0.19 -0.02 0.00 0.02 0.00 0.00 56.10 56.15 1de3 s TRP 4 Cb -0.09 -3.90 -0.03 0.00 -1.15 0.00 0.00 33.47 28.30 1de3 s TRP 4 CO -0.07 -1.25 -0.05 0.99 0.02 0.00 0.00 176.95 176.59 1de3 s THR 5 N 3.51 3.85 -0.03 2.01 2.01 -1.10 0.11 115.64 126.00 1de3 s THR 5 Ca 0.25 -0.40 0.06 0.00 0.31 0.00 0.00 61.69 61.91 1de3 s THR 5 Cb -0.15 -2.63 -0.01 0.00 0.01 0.00 0.00 72.50 69.72 1de3 s THR 5 CO 0.17 0.55 -0.20 0.00 -0.69 0.00 0.00 174.62 174.44 1de3 s LEU 7 N -0.28 6.38 0.12 0.00 1.43 -1.26 0.32 118.68 125.38 1de3 s LEU 7 Ca 0.03 -3.14 -0.15 0.00 -1.03 0.00 0.00 54.13 49.85 1de3 s LEU 7 Cb -0.10 -2.16 -0.07 0.00 0.03 0.00 0.00 46.19 43.90 1de3 s LEU 7 CO 0.01 -0.41 0.53 0.20 0.23 0.00 0.00 176.35 176.90 1de3 s ASN 8 N 1.52 6.84 0.40 2.29 -0.87 -1.16 -4.66 114.94 119.30 1de3 s ASN 8 Ca 0.23 1.07 -0.23 0.00 -1.57 0.00 0.00 52.86 52.37 1de3 s ASN 8 Cb -0.11 -2.28 -0.10 0.00 -0.02 0.00 0.00 41.25 38.74 1de3 s ASN 8 CO -0.08 0.15 0.96 -0.62 -2.57 0.00 0.00 177.10 174.94 1de3 s ASP 9 N -1.58 7.00 -0.15 -1.22 2.15 -1.25 -1.91 116.67 119.71 1de3 s ASP 9 Ca 0.35 1.77 -0.04 0.00 0.43 0.00 0.00 52.55 55.06 1de3 s ASP 9 Cb -0.16 -2.56 0.07 0.00 -0.30 0.00 0.00 42.92 39.98 1de3 s ASP 9 CO 0.19 -0.31 0.20 -1.10 -0.17 0.00 0.00 175.17 173.97 1de3 s GLN 10 N -2.82 0.12 -1.21 4.34 -0.21 0.15 0.07 119.66 120.11 1de3 s GLN 10 Ca 0.59 0.40 -0.20 0.00 0.02 0.00 0.00 55.36 56.16 1de3 s GLN 10 Cb -0.13 -0.74 0.03 0.00 1.00 0.00 0.00 33.01 33.16 1de3 s GLN 10 CO 0.17 -0.48 1.75 0.21 -2.12 0.00 0.00 175.29 174.82 1de3 s LYS 11 N 2.32 3.52 0.18 2.91 2.20 -1.26 -0.34 119.74 129.27 1de3 s LYS 11 Ca 0.04 -1.59 -0.32 0.00 -0.36 0.00 0.00 55.97 53.74 1de3 s LYS 11 Cb -0.14 -5.42 -0.12 0.00 -1.51 0.00 0.00 37.83 30.64 1de3 s LYS 11 CO -0.09 -2.70 1.71 -1.71 -0.36 0.00 0.00 175.35 172.20 1de3 n ASN 12 N 10.11 3.77 0.18 1.43 5.15 0.43 -4.80 115.26 131.53 1de3 n ASN 12 Ca 0.45 1.05 0.05 0.00 -0.60 0.00 0.00 54.58 55.54 1de3 n ASN 12 Cb 0.47 -1.53 0.29 0.00 -0.53 0.00 0.00 39.78 38.48 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 6.86 0.00 -0.27 1.20 0.13 -1.93 0.22 132.00 138.20 1de3 h PRO 13 Ca -0.44 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.70 1de3 h PRO 13 Cb 1.22 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.33 1de3 h PRO 13 CO 0.94 0.40 0.16 -0.22 -0.23 0.00 0.00 178.00 179.04 1de3 h LYS 14 N 0.00 0.31 -0.02 0.86 1.63 -1.95 -2.87 116.57 114.53 1de3 h LYS 14 Ca -0.00 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.78 1de3 h LYS 14 Cb 0.98 -0.07 0.00 0.00 -0.60 0.00 0.00 32.23 32.54 1de3 h LYS 14 CO 0.05 0.21 -0.04 0.25 -3.45 0.00 0.00 179.45 176.47 1de3 n THR 15 N -4.94 0.00 -2.27 1.00 -2.24 -1.21 -4.97 114.28 99.65 1de3 n THR 15 Ca -0.02 -0.48 -0.04 0.00 -2.27 0.00 0.00 64.05 61.24 1de3 n THR 15 Cb 0.05 1.37 -0.00 0.00 -2.10 0.00 0.00 70.33 69.65 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 0.94 -1.90 -4.35 3.42 2.85 0.74 -4.89 115.26 112.06 1de3 n ASN 16 Ca 0.11 0.35 -0.19 0.00 -0.11 0.00 0.00 54.58 54.74 1de3 n ASN 16 Cb 0.46 -1.76 -0.10 0.00 1.24 0.00 0.00 39.78 39.62 1de3 n ASN 16 CO 0.00 0.00 0.00 -0.75 -2.11 0.00 0.00 177.26 174.40 1de3 s LYS 17 N -4.60 1.33 -0.19 1.20 2.20 -0.98 -4.90 119.74 113.81 1de3 s LYS 17 Ca 0.00 -1.58 -0.17 0.00 -0.36 0.00 0.00 55.97 53.85 1de3 s LYS 17 Cb 0.00 -1.14 -0.04 0.00 -1.51 0.00 0.00 37.83 35.15 1de3 s LYS 17 CO 0.00 0.19 0.46 0.71 -0.36 0.00 0.00 175.35 176.35 1de3 s TYR 18 N -2.92 3.39 0.13 4.03 2.02 -1.26 -0.43 117.35 122.31 1de3 s TYR 18 Ca 0.22 0.72 0.09 0.00 -0.37 0.00 0.00 57.07 57.73 1de3 s TYR 18 Cb -0.01 -2.59 -0.04 0.00 -0.40 0.00 0.00 41.96 38.92 1de3 s TYR 18 CO 0.07 -0.03 -0.23 -1.21 -1.57 0.00 0.00 175.55 172.58 1de3 s GLU 19 N 1.38 1.26 -0.97 -0.62 2.02 0.54 -4.86 118.70 117.44 1de3 s GLU 19 Ca 0.22 -1.28 -0.06 0.00 0.02 0.00 0.00 54.97 53.87 1de3 s GLU 19 Cb -0.15 -1.57 0.24 0.00 0.10 0.00 0.00 34.13 32.75 1de3 s GLU 19 CO 0.09 0.36 0.91 0.99 0.02 0.00 0.00 175.26 177.63 1de3 s THR 20 N -1.28 5.18 1.07 3.63 2.01 -1.26 0.34 115.64 125.32 1de3 s THR 20 Ca 0.11 -3.50 -0.14 0.00 0.31 0.00 0.00 61.69 58.46 1de3 s THR 20 Cb -0.09 -4.16 0.23 0.00 0.01 0.00 0.00 72.50 68.48 1de3 s THR 20 CO 0.06 -1.12 1.09 -0.54 -0.69 0.00 0.00 174.62 173.42 1de3 s LYS 21 N -1.11 -0.18 -0.20 4.92 1.02 -0.80 -4.83 119.74 118.55 1de3 s LYS 21 Ca 0.28 0.34 -0.03 0.00 0.02 0.00 0.00 55.97 56.57 1de3 s LYS 21 Cb -0.09 -1.68 -0.01 0.00 -0.52 0.00 0.00 37.83 35.52 1de3 s LYS 21 CO -0.10 -3.10 -0.06 1.03 -0.92 0.00 0.00 175.35 172.21 1de3 s ARG 22 N -5.07 3.38 -0.62 1.68 0.52 -1.26 -3.00 118.95 114.58 1de3 s ARG 22 Ca 0.67 -0.63 -0.03 0.00 -0.52 0.00 0.00 55.73 55.22 1de3 s ARG 22 Cb -0.16 -2.94 0.16 0.00 0.52 0.00 0.00 34.95 32.52 1de3 s ARG 22 CO 0.57 -0.12 0.43 -0.51 0.02 0.00 0.00 175.30 175.70 1de3 s LEU 23 N 1.27 5.25 -0.08 2.53 1.02 0.15 -4.95 118.68 123.88 1de3 s LEU 23 Ca 0.03 -2.82 -0.30 0.00 0.02 0.00 0.00 54.13 51.06 1de3 s LEU 23 Cb -0.14 -1.86 -0.02 0.00 0.02 0.00 0.00 46.19 44.19 1de3 s LEU 23 CO -0.02 -0.38 1.09 -0.22 0.02 0.00 0.00 176.35 176.84 1de3 s LEU 24 N -0.01 4.27 -0.27 1.79 1.98 -1.26 -0.44 118.68 124.73 1de3 s LEU 24 Ca 0.17 1.67 0.03 0.00 -2.89 0.00 0.00 54.13 53.10 1de3 s LEU 24 Cb -0.20 -3.56 0.07 0.00 0.66 0.00 0.00 46.19 43.16 1de3 s LEU 24 CO -0.03 -0.50 -0.09 -0.31 -1.89 0.00 0.00 176.35 173.53 1de3 s TYR 25 N 2.04 3.29 -0.14 5.38 1.51 0.12 -4.76 117.35 124.78 1de3 s TYR 25 Ca 0.52 -2.39 -0.29 0.00 -1.01 0.00 0.00 57.07 53.90 1de3 s TYR 25 Cb -0.21 -2.04 -0.05 0.00 -0.11 0.00 0.00 41.96 39.54 1de3 s TYR 25 CO 0.20 -0.88 1.83 1.21 -1.11 0.00 0.00 175.55 176.80 1de3 s ASN 26 N 1.09 6.23 0.50 2.29 2.47 -1.26 -1.12 114.94 125.15 1de3 s ASN 26 Ca -0.06 2.01 0.23 0.00 0.42 0.00 0.00 52.86 55.45 1de3 s ASN 26 Cb -0.20 -2.53 1.30 0.00 -1.45 0.00 0.00 41.25 38.38 1de3 s ASN 26 CO -0.06 -1.32 1.98 -0.61 -3.72 0.00 0.00 177.10 173.37 1de3 h GLN 27 N 11.47 0.11 -0.89 0.43 -0.00 -0.40 0.16 115.11 125.99 1de3 h GLN 27 Ca -0.40 -0.01 0.26 0.00 -0.00 0.00 0.00 58.65 58.50 1de3 h GLN 27 Cb 1.19 -0.03 -0.04 0.00 0.00 0.00 0.00 27.48 28.61 1de3 h GLN 27 CO 0.97 0.07 0.70 -0.91 0.00 0.00 0.00 178.83 179.67 1de3 h ASN 28 N 0.12 0.00 0.51 -0.69 4.21 -1.88 0.81 115.58 118.66 1de3 h ASN 28 Ca 0.28 0.00 -0.29 0.00 1.21 0.00 0.00 56.30 57.50 1de3 h ASN 28 Cb 0.96 0.00 -0.05 0.00 -1.12 0.00 0.00 38.32 38.11 1de3 h ASN 28 CO -0.03 0.00 -1.67 0.11 -1.29 0.00 0.00 177.43 174.55 1de3 h LYS 29 N 0.00 0.01 0.03 0.81 6.56 -1.08 -2.83 116.57 120.07 1de3 h LYS 29 Ca 0.42 -0.02 -0.00 0.00 -1.06 0.00 0.00 60.65 59.99 1de3 h LYS 29 Cb 1.81 0.01 0.00 0.00 -0.57 0.00 0.00 32.23 33.48 1de3 h LYS 29 CO -0.00 0.56 -0.01 0.00 -2.06 0.00 0.00 179.45 177.93 1de3 h ALA 30 N 0.96 -0.04 -0.79 3.86 0.00 -0.41 0.84 119.26 123.68 1de3 h ALA 30 Ca -0.27 -0.33 0.09 0.00 0.00 0.00 0.00 54.91 54.40 1de3 h ALA 30 Cb 2.00 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 19.75 1de3 h ALA 30 CO 0.08 -0.17 0.52 1.05 0.00 0.00 0.00 179.25 180.73 1de3 h GLU 31 N -0.75 0.72 0.10 0.00 -0.00 0.31 0.86 114.58 115.82 1de3 h GLU 31 Ca -0.00 -0.04 -0.17 0.00 -0.00 0.00 0.00 59.36 59.14 1de3 h GLU 31 Cb 0.67 -0.16 0.01 0.00 -0.00 0.00 0.00 28.75 29.27 1de3 h GLU 31 CO 0.01 0.48 -0.80 1.03 -0.00 0.00 0.00 179.01 179.73 1de3 h SER 32 N 0.74 0.33 -0.90 3.06 0.87 -1.43 -2.15 113.55 114.07 1de3 h SER 32 Ca 0.36 -0.92 0.17 0.00 -1.23 0.00 0.00 61.79 60.17 1de3 h SER 32 Cb 0.42 -0.11 -0.07 0.00 -0.44 0.00 0.00 62.40 62.20 1de3 h SER 32 CO -0.14 1.37 0.58 0.78 -0.53 0.00 0.00 176.83 178.89 1de3 h ASN 33 N -0.53 0.59 -0.01 6.23 4.21 0.11 0.41 115.58 126.59 1de3 h ASN 33 Ca -0.16 0.05 -0.01 0.00 1.21 0.00 0.00 56.30 57.38 1de3 h ASN 33 Cb 1.52 -0.07 0.00 0.00 -1.12 0.00 0.00 38.32 38.65 1de3 h ASN 33 CO 0.08 0.27 -0.05 0.77 -1.29 0.00 0.00 177.43 177.22 1de3 h SER 34 N 0.61 0.06 0.38 5.81 4.64 -0.91 -1.42 113.55 122.71 1de3 h SER 34 Ca 0.46 -0.65 0.00 0.00 -0.47 0.00 0.00 61.79 61.13 1de3 h SER 34 Cb 0.87 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.94 1de3 h SER 34 CO -0.21 0.70 0.00 1.41 -0.87 0.00 0.00 176.83 177.86 1de3 n HIS 35 N -4.73 0.24 -0.01 4.77 8.25 -0.21 -2.95 115.22 120.58 1de3 n HIS 35 Ca -0.09 0.10 -0.01 0.00 -0.26 0.00 0.00 57.72 57.46 1de3 n HIS 35 Cb 0.35 -0.67 -0.00 0.00 1.12 0.00 0.00 29.99 30.79 1de3 n HIS 35 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 1de3 n HIS 36 N -1.73 0.09 -1.46 4.41 -0.00 0.13 -4.98 115.22 111.68 1de3 n HIS 36 Ca 0.02 0.04 -0.45 0.00 -0.00 0.00 0.00 57.72 57.33 1de3 n HIS 36 Cb 0.13 -0.23 -0.01 0.00 -0.00 0.00 0.00 29.99 29.87 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 -2.62 -1.74 -1.77 1.57 0.00 -0.54 -4.89 120.51 110.53 1de3 n ALA 37 Ca -0.02 0.33 -0.40 0.00 0.00 0.00 0.00 53.44 53.35 1de3 n ALA 37 Cb 0.06 -1.76 -0.03 0.00 0.00 0.00 0.00 19.45 17.72 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 -1.32 4.45 -1.23 0.00 0.04 -1.26 -4.90 135.00 130.78 1de3 s PRO 38 Ca 0.62 2.02 -0.20 0.00 0.04 0.00 0.00 61.00 63.48 1de3 s PRO 38 Cb -0.75 -3.09 0.03 0.00 0.04 0.00 0.00 34.50 30.73 1de3 s PRO 38 CO 0.58 -0.04 1.75 -0.51 0.04 0.00 0.00 177.00 178.83 1de3 s LEU 39 N -1.71 3.60 -0.07 -3.56 1.43 -1.26 -4.43 118.68 112.69 1de3 s LEU 39 Ca 0.48 -2.09 -0.31 0.00 -1.03 0.00 0.00 54.13 51.17 1de3 s LEU 39 Cb -0.36 -2.58 0.08 0.00 0.03 0.00 0.00 46.19 43.36 1de3 s LEU 39 CO 0.47 -1.68 0.72 -0.94 0.23 0.00 0.00 176.35 175.15 1de3 s SER 40 N 4.95 -0.62 -0.17 2.29 1.04 -1.26 -4.96 113.70 114.96 1de3 s SER 40 Ca 0.57 0.69 -0.16 0.00 0.48 0.00 0.00 55.95 57.53 1de3 s SER 40 Cb 0.02 0.53 -0.04 0.00 0.10 0.00 0.00 66.02 66.62 1de3 s SER 40 CO 0.07 -0.57 0.38 -0.62 0.98 0.00 0.00 173.24 173.48 1de3 s ASP 41 N -1.15 6.49 -0.92 7.02 2.15 -0.80 -3.98 116.67 125.47 1de3 s ASP 41 Ca -0.10 0.58 -0.09 0.00 0.43 0.00 0.00 52.55 53.37 1de3 s ASP 41 Cb -0.00 -2.23 0.01 0.00 -0.30 0.00 0.00 42.92 40.40 1de3 s ASP 41 CO 0.09 -0.00 0.63 0.61 -0.17 0.00 0.00 175.17 176.33 1de3 n GLY 42 N 3.61 -1.19 1.40 2.66 0.00 -0.72 -4.44 105.19 106.51 1de3 n GLY 42 Ca -0.09 0.53 -0.01 0.00 0.00 0.00 0.00 46.02 46.45 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 -3.21 0.14 -4.31 1.61 3.00 -1.26 -4.98 118.16 109.15 1de3 n LYS 43 Ca -0.25 -1.63 -0.20 0.00 -0.00 0.00 0.00 58.31 56.23 1de3 n LYS 43 Cb 0.65 0.15 -0.08 0.00 0.00 0.00 0.00 35.03 35.75 1de3 n LYS 43 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.40 178.39 1de3 s THR 44 N -0.18 0.08 0.00 3.15 2.01 -1.26 -5.02 115.64 114.43 1de3 s THR 44 Ca 0.19 -2.00 -0.01 0.00 0.31 0.00 0.00 61.69 60.18 1de3 s THR 44 Cb 0.23 -2.48 -0.00 0.00 0.01 0.00 0.00 72.50 70.26 1de3 s THR 44 CO -0.09 0.00 1.01 1.23 -0.69 0.00 0.00 174.62 176.08 1de3 h GLY 45 N 2.12 -0.77 1.62 4.40 0.00 -1.52 -1.79 103.07 107.14 1de3 h GLY 45 Ca -0.27 0.33 0.00 0.00 0.00 0.00 0.00 47.33 47.39 1de3 h GLY 45 CO 0.40 -0.29 0.00 -1.14 0.00 0.00 0.00 176.54 175.51 1de3 n SER 46 N -2.34 0.00 0.00 0.19 3.41 0.13 -3.96 113.62 111.05 1de3 n SER 46 Ca -0.00 0.18 0.00 0.00 -0.26 0.00 0.00 58.87 58.79 1de3 n SER 46 Cb 0.01 -0.31 0.00 0.00 -0.26 0.00 0.00 64.21 63.65 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 -1.31 -2.61 -4.75 4.04 2.88 -0.67 -5.05 113.62 106.15 1de3 n SER 47 Ca 0.05 0.00 -0.33 0.00 -1.33 0.00 0.00 58.87 57.25 1de3 n SER 47 Cb 0.09 -0.43 -0.08 0.00 -0.75 0.00 0.00 64.21 63.03 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 -2.00 3.23 0.15 0.66 2.02 -1.26 -3.13 117.35 117.03 1de3 s TYR 48 Ca 0.00 0.18 -0.30 0.00 -0.37 0.00 0.00 57.07 56.59 1de3 s TYR 48 Cb 0.00 -1.73 -0.07 0.00 -0.40 0.00 0.00 41.96 39.76 1de3 s TYR 48 CO 0.00 0.53 0.94 -1.25 -1.57 0.00 0.00 175.55 174.20 1de3 s PRO 49 N -1.58 4.74 0.52 -1.71 0.04 -1.26 -4.53 135.00 131.23 1de3 s PRO 49 Ca 0.21 1.45 -0.01 0.00 0.04 0.00 0.00 61.00 62.68 1de3 s PRO 49 Cb -0.12 -3.34 0.01 0.00 0.04 0.00 0.00 34.50 31.09 1de3 s PRO 49 CO 0.11 0.33 0.76 -3.38 0.04 0.00 0.00 177.00 174.86 1de3 s HIS 50 N -0.43 3.14 0.01 0.56 -3.43 -1.01 -1.75 115.29 112.39 1de3 s HIS 50 Ca 0.44 0.29 -0.30 0.00 -0.80 0.00 0.00 55.06 54.69 1de3 s HIS 50 Cb -0.24 -2.55 -0.04 0.00 -1.43 0.00 0.00 32.58 28.32 1de3 s HIS 50 CO 0.30 -0.62 1.10 -0.46 -2.00 0.00 0.00 174.74 173.06 1de3 s TRP 51 N -2.73 3.49 -0.59 0.38 -0.00 -1.26 -0.47 118.94 117.75 1de3 s TRP 51 Ca 0.52 1.46 -0.17 0.00 -0.00 0.00 0.00 56.10 57.91 1de3 s TRP 51 Cb -0.10 -3.29 0.13 0.00 -0.00 0.00 0.00 33.47 30.20 1de3 s TRP 51 CO 0.40 -0.73 0.62 0.12 -0.00 0.00 0.00 176.95 177.35 1de3 s PHE 52 N 1.27 3.18 0.35 5.86 5.36 0.43 -4.77 117.98 129.66 1de3 s PHE 52 Ca 0.55 -1.21 0.22 0.00 -0.96 0.00 0.00 56.93 55.53 1de3 s PHE 52 Cb -0.25 -3.90 1.25 0.00 -0.34 0.00 0.00 43.02 39.78 1de3 s PHE 52 CO 0.27 -1.14 1.41 0.25 -1.46 0.00 0.00 175.22 174.54 1de3 n THR 53 N 5.28 -0.33 -1.83 0.12 -2.24 -1.26 -4.54 114.28 109.47 1de3 n THR 53 Ca -0.09 1.75 -0.17 0.00 -2.27 0.00 0.00 64.05 63.27 1de3 n THR 53 Cb 0.42 -2.85 -0.05 0.00 -2.10 0.00 0.00 70.33 65.75 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 -4.85 -4.58 0.00 3.42 4.05 -1.26 -0.16 115.26 111.87 1de3 n ASN 54 Ca 0.35 0.29 0.00 0.00 0.45 0.00 0.00 54.58 55.67 1de3 n ASN 54 Cb 1.23 -4.03 0.00 0.00 1.23 0.00 0.00 39.78 38.21 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 -0.53 3.02 3.85 8.20 0.00 -1.26 -3.99 105.19 114.48 1de3 n GLY 55 Ca -0.18 -0.48 -0.32 0.00 0.00 0.00 0.00 46.02 45.04 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 -1.81 3.48 0.04 1.61 2.02 0.78 -3.90 117.35 119.57 1de3 s TYR 56 Ca 0.00 1.37 -0.01 0.00 -0.37 0.00 0.00 57.07 58.07 1de3 s TYR 56 Cb 0.00 -2.72 0.01 0.00 -0.40 0.00 0.00 41.96 38.84 1de3 s TYR 56 CO 0.00 -0.37 0.06 -0.25 -1.57 0.00 0.00 175.55 173.42 1de3 n ASP 57 N -1.69 0.01 0.07 2.29 8.00 0.24 -4.44 116.55 121.03 1de3 n ASP 57 Ca 0.06 -1.02 0.21 0.00 0.71 0.00 0.00 54.79 54.74 1de3 n ASP 57 Cb 0.54 -0.04 0.72 0.00 -0.02 0.00 0.00 41.12 42.31 1de3 n ASP 57 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 1de3 h GLY 58 N -0.07 0.00 0.00 0.44 0.00 -1.86 -3.27 103.07 98.31 1de3 h GLY 58 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.31 1de3 h GLY 58 CO 0.01 0.00 0.00 1.22 0.00 0.00 0.00 176.54 177.77 1de3 n ASP 59 N -3.62 0.00 0.00 0.19 9.92 -1.26 -1.03 116.55 120.74 1de3 n ASP 59 Ca 0.09 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.35 1de3 n ASP 59 Cb 0.71 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.19 1de3 n ASP 59 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1de3 n GLY 60 N 2.72 0.00 3.35 0.44 0.00 -1.23 -3.78 105.19 106.69 1de3 n GLY 60 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 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 2.76 0.21 1.61 -0.14 -1.26 -4.79 119.74 118.13 1de3 s LYS 61 Ca 0.00 -0.79 -0.04 0.00 -1.36 0.00 0.00 55.97 53.78 1de3 s LYS 61 Cb 0.00 -2.35 -0.05 0.00 -1.68 0.00 0.00 37.83 33.75 1de3 s LYS 61 CO 0.00 0.40 0.44 -0.51 -0.76 0.00 0.00 175.35 174.92 1de3 s LEU 62 N -0.18 4.19 0.00 3.17 1.02 -1.26 0.82 118.68 126.44 1de3 s LEU 62 Ca -0.02 0.59 0.00 0.00 0.02 0.00 0.00 54.13 54.72 1de3 s LEU 62 Cb -0.14 -3.36 0.00 0.00 0.02 0.00 0.00 46.19 42.72 1de3 s LEU 62 CO 0.03 -0.05 0.00 -0.81 0.02 0.00 0.00 176.35 175.54 1de3 n PRO 63 N -0.44 0.72 -1.08 1.29 -0.04 -1.25 -4.81 135.00 129.39 1de3 n PRO 63 Ca -0.03 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 63.11 1de3 n PRO 63 Cb 0.53 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 1.17 -0.04 0.00 0.00 175.50 176.63 1de3 n LYS 64 N -0.22 2.40 0.00 0.54 3.00 -1.26 -3.53 118.16 119.09 1de3 n LYS 64 Ca 0.00 -1.84 0.00 0.00 -0.00 0.00 0.00 58.31 56.47 1de3 n LYS 64 Cb 0.00 -2.73 0.00 0.00 0.00 0.00 0.00 35.03 32.30 1de3 n LYS 64 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1de3 n GLY 65 N 3.93 -1.39 3.55 3.14 0.00 -1.26 -5.11 105.19 108.05 1de3 n GLY 65 Ca 0.54 0.43 -0.42 0.00 0.00 0.00 0.00 46.02 46.57 1de3 n GLY 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1de3 n ARG 66 N 0.00 1.41 -3.09 1.61 3.00 -1.23 -4.86 116.66 113.49 1de3 n ARG 66 Ca 0.00 0.28 -0.17 0.00 -0.01 0.00 0.00 57.85 57.96 1de3 n ARG 66 Cb 0.00 -3.11 -0.01 0.00 0.00 0.00 0.00 32.46 29.34 1de3 n ARG 66 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.63 175.26 1de3 n THR 67 N 7.75 -0.18 -2.44 0.55 5.66 -1.26 -5.10 114.28 119.25 1de3 n THR 67 Ca 0.36 -3.88 -0.43 0.00 -3.05 0.00 0.00 64.05 57.05 1de3 n THR 67 Cb 0.43 -0.04 -0.02 0.00 -1.55 0.00 0.00 70.33 69.15 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 -1.74 3.78 -0.50 1.09 0.04 -1.26 -4.67 135.00 131.76 1de3 s PRO 68 Ca 0.36 1.03 -0.44 0.00 0.04 0.00 0.00 61.00 61.98 1de3 s PRO 68 Cb 0.32 -3.92 -0.19 0.00 0.04 0.00 0.00 34.50 30.75 1de3 s PRO 68 CO -0.08 -1.29 2.07 -0.89 0.04 0.00 0.00 177.00 176.85 1de3 n ILE 69 N 6.57 0.00 -2.70 0.56 5.41 -1.26 -4.83 119.36 123.11 1de3 n ILE 69 Ca 0.15 -0.00 -0.42 0.00 1.00 0.00 0.00 62.75 63.47 1de3 n ILE 69 Cb 0.47 -0.50 -0.03 0.00 -0.71 0.00 0.00 39.64 38.87 1de3 n ILE 69 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 176.55 174.96 1de3 s LYS 70 N 5.60 3.33 0.01 0.38 0.00 -1.26 -4.88 119.74 122.92 1de3 s LYS 70 Ca 1.18 -0.17 -0.18 0.00 0.00 0.00 0.00 55.97 56.79 1de3 s LYS 70 Cb -1.50 -4.09 -0.29 0.00 0.00 0.00 0.00 37.83 31.95 1de3 s LYS 70 CO 0.68 -1.73 1.04 0.74 0.00 0.00 0.00 175.35 176.07 1de3 h PHE 71 N 9.57 0.78 0.00 1.78 0.04 -1.94 -3.49 116.94 123.68 1de3 h PHE 71 Ca -0.27 -0.49 0.00 0.00 2.80 0.00 0.00 57.97 60.01 1de3 h PHE 71 Cb 1.06 -0.06 0.00 0.00 2.20 0.00 0.00 35.95 39.15 1de3 h PHE 71 CO 1.01 1.35 0.00 0.41 -0.60 0.00 0.00 178.31 180.47 1de3 n GLY 72 N 1.39 1.45 0.00 -1.45 0.00 -1.26 -5.07 105.19 100.25 1de3 n GLY 72 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.99 1.65 0.02 1.61 4.76 -1.26 -5.07 118.16 118.88 1de3 n LYS 73 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1de3 n LYS 73 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 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 -1.90 0.35 0.08 4.39 2.88 -1.26 -4.32 113.62 113.85 1de3 n SER 74 Ca 0.00 0.06 -0.08 0.00 -1.33 0.00 0.00 58.87 57.52 1de3 n SER 74 Cb 0.00 -0.09 0.02 0.00 -0.75 0.00 0.00 64.21 63.38 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 0.28 0.66 -3.46 3.32 -1.99 -0.24 116.42 114.99 1de3 h ASP 75 Ca 0.00 -0.21 -0.15 0.00 0.02 0.00 0.00 57.03 56.69 1de3 h ASP 75 Cb 0.59 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 40.04 1de3 h ASP 75 CO 0.00 0.98 -0.71 0.00 -1.72 0.00 0.00 179.24 177.79 1de3 h ASP 77 N 0.03 0.00 -3.85 0.00 3.58 -1.71 -3.48 116.42 110.99 1de3 h ASP 77 Ca -0.01 -0.01 -0.50 0.00 0.42 0.00 0.00 57.03 56.93 1de3 h ASP 77 Cb 1.25 0.00 0.21 0.00 1.72 0.00 0.00 39.33 42.51 1de3 h ASP 77 CO 0.10 0.00 0.01 0.54 -2.88 0.00 0.00 179.24 177.01 1de3 n ARG 78 N -2.84 -0.92 -2.02 0.28 1.74 -0.12 -4.92 116.66 107.86 1de3 n ARG 78 Ca 0.04 -0.21 -0.42 0.00 -0.77 0.00 0.00 57.85 56.48 1de3 n ARG 78 Cb 0.51 -2.24 -0.03 0.00 -1.02 0.00 0.00 32.46 29.68 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 -4.41 4.19 -0.48 5.56 0.04 -1.26 -4.95 135.00 133.69 1de3 s PRO 79 Ca 0.66 2.18 -0.28 0.00 0.04 0.00 0.00 61.00 63.59 1de3 s PRO 79 Cb -0.23 -3.95 0.00 0.00 0.04 0.00 0.00 34.50 30.36 1de3 s PRO 79 CO 0.61 -0.83 1.53 -1.25 0.04 0.00 0.00 177.00 177.11 1de3 s PRO 80 N 3.92 3.31 -1.30 0.56 0.04 -1.26 -4.92 135.00 135.35 1de3 s PRO 80 Ca 0.73 0.79 -0.12 0.00 0.04 0.00 0.00 61.00 62.44 1de3 s PRO 80 Cb -0.33 -4.14 0.14 0.00 0.04 0.00 0.00 34.50 30.21 1de3 s PRO 80 CO 0.29 -1.91 1.83 1.17 0.04 0.00 0.00 177.00 178.43 1de3 n LYS 81 N 8.51 3.42 -2.60 4.56 4.81 -1.18 -4.33 118.16 131.35 1de3 n LYS 81 Ca 0.16 -3.43 -0.42 0.00 -0.87 0.00 0.00 58.31 53.75 1de3 n LYS 81 Cb 0.49 -3.04 -0.03 0.00 0.02 0.00 0.00 35.03 32.47 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 1.31 3.38 0.00 5.64 5.65 -0.20 -4.04 115.29 127.03 1de3 s HIS 82 Ca 0.42 1.44 0.00 0.00 0.25 0.00 0.00 55.06 57.18 1de3 s HIS 82 Cb 0.07 -3.28 0.00 0.00 -1.18 0.00 0.00 32.58 28.19 1de3 s HIS 82 CO -0.01 -0.65 0.00 0.43 -0.65 0.00 0.00 174.74 173.86 1de3 n SER 83 N 5.17 0.00 0.27 9.88 7.64 -1.26 -4.41 113.62 130.90 1de3 n SER 83 Ca 0.10 0.00 -0.11 0.00 1.01 0.00 0.00 58.87 59.87 1de3 n SER 83 Cb 0.48 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.62 1de3 n SER 83 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 1de3 h LYS 84 N 0.00 -0.69 -0.71 1.43 3.11 -1.96 -3.31 116.57 114.44 1de3 h LYS 84 Ca 0.00 0.05 0.00 0.00 -2.81 0.00 0.00 60.65 57.89 1de3 h LYS 84 Cb 0.00 0.16 0.00 0.00 -1.00 0.00 0.00 32.23 31.39 1de3 h LYS 84 CO 0.00 -0.46 0.00 -0.25 -2.81 0.00 0.00 179.45 175.93 1de3 n ASP 85 N -4.76 4.23 -3.42 4.20 8.00 -1.26 -4.95 116.55 118.58 1de3 n ASP 85 Ca -0.09 -2.15 -0.18 0.00 0.71 0.00 0.00 54.79 53.08 1de3 n ASP 85 Cb 0.28 -0.52 0.07 0.00 -0.02 0.00 0.00 41.12 40.93 1de3 n ASP 85 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1de3 n GLY 86 N 1.47 -0.77 2.74 0.44 0.00 -1.25 -1.91 105.19 105.91 1de3 n GLY 86 Ca 0.25 0.36 -0.06 0.00 0.00 0.00 0.00 46.02 46.57 1de3 n GLY 86 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1de3 n ASN 87 N -3.11 -3.22 -0.98 1.61 6.94 -1.26 -3.50 115.26 111.73 1de3 n ASN 87 Ca -0.17 -2.94 0.00 0.00 -0.02 0.00 0.00 54.58 51.45 1de3 n ASN 87 Cb 0.64 1.64 0.00 0.00 -2.36 0.00 0.00 39.78 39.70 1de3 n ASN 87 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1de3 n GLY 88 N 2.76 1.60 0.31 4.83 0.00 -1.26 -4.96 105.19 108.48 1de3 n GLY 88 Ca 0.17 -2.03 0.00 0.00 0.00 0.00 0.00 46.02 44.17 1de3 n GLY 88 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1de3 h LYS 89 N 0.00 0.74 0.00 1.61 -0.00 -2.01 -3.32 116.57 113.58 1de3 h LYS 89 Ca 0.00 -0.09 -0.06 0.00 -0.00 0.00 0.00 60.65 60.49 1de3 h LYS 89 Cb 0.00 -0.14 -0.09 0.00 -0.00 0.00 0.00 32.23 32.00 1de3 h LYS 89 CO 0.00 0.59 -0.28 -2.37 -0.00 0.00 0.00 179.45 177.39 1de3 n THR 90 N -4.37 0.00 -1.70 0.07 5.66 -1.26 -5.11 114.28 107.58 1de3 n THR 90 Ca 0.04 -0.11 -0.66 0.00 -3.05 0.00 0.00 64.05 60.28 1de3 n THR 90 Cb 0.13 0.34 -0.10 0.00 -1.55 0.00 0.00 70.33 69.16 1de3 n THR 90 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 1de3 n ASP 91 N 0.05 0.98 -3.54 1.09 -0.08 -1.25 -4.82 116.55 108.98 1de3 n ASP 91 Ca -0.09 1.18 -0.33 0.00 -1.51 0.00 0.00 54.79 54.04 1de3 n ASP 91 Cb 0.66 -0.89 -0.04 0.00 2.34 0.00 0.00 41.12 43.19 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 3.50 3.21 -3.65 -0.67 1.44 -1.26 -4.30 115.22 113.49 1de3 n HIS 92 Ca 0.29 -3.51 -0.37 0.00 -2.01 0.00 0.00 57.72 52.12 1de3 n HIS 92 Cb -0.03 -0.82 -0.06 0.00 0.12 0.00 0.00 29.99 29.20 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 -2.91 3.62 -0.59 -1.40 1.13 -1.26 -3.11 117.35 112.83 1de3 s TYR 93 Ca 0.39 0.73 -0.27 0.00 -1.41 0.00 0.00 57.07 56.51 1de3 s TYR 93 Cb 0.14 -2.17 0.01 0.00 -1.10 0.00 0.00 41.96 38.84 1de3 s TYR 93 CO -0.00 0.59 1.49 -0.51 -2.51 0.00 0.00 175.55 174.60 1de3 s LEU 94 N -0.73 3.34 0.37 -3.49 1.43 -1.26 -4.00 118.68 114.33 1de3 s LEU 94 Ca 0.19 0.20 -0.09 0.00 -1.03 0.00 0.00 54.13 53.40 1de3 s LEU 94 Cb -0.14 -2.88 -0.06 0.00 0.03 0.00 0.00 46.19 43.14 1de3 s LEU 94 CO 0.08 -1.86 0.70 -1.48 0.23 0.00 0.00 176.35 174.02 1de3 s LEU 95 N 6.59 3.91 -0.08 1.79 0.05 -1.10 -0.43 118.68 129.41 1de3 s LEU 95 Ca 0.53 1.00 0.04 0.00 0.05 0.00 0.00 54.13 55.76 1de3 s LEU 95 Cb -0.11 -3.86 -0.00 0.00 -2.05 0.00 0.00 46.19 40.16 1de3 s LEU 95 CO 0.23 -0.33 -0.22 -0.70 -0.55 0.00 0.00 176.35 174.77 1de3 s GLU 96 N -3.74 2.62 -0.03 1.48 2.12 0.38 -3.24 118.70 118.29 1de3 s GLU 96 Ca 0.49 -0.81 0.06 0.00 0.36 0.00 0.00 54.97 55.08 1de3 s GLU 96 Cb -0.10 -2.08 -0.01 0.00 0.26 0.00 0.00 34.13 32.19 1de3 s GLU 96 CO 0.31 0.23 -0.22 0.12 -0.54 0.00 0.00 175.26 175.15 1de3 s PHE 97 N 0.19 2.07 -0.96 5.30 5.36 -0.75 -2.39 117.98 126.80 1de3 s PHE 97 Ca -0.12 -0.46 -0.24 0.00 -0.96 0.00 0.00 56.93 55.15 1de3 s PHE 97 Cb -0.16 -1.34 -0.03 0.00 -0.34 0.00 0.00 43.02 41.15 1de3 s PHE 97 CO 0.06 -0.09 1.83 -1.25 -1.46 0.00 0.00 175.22 174.31 1de3 s PRO 98 N -0.39 2.82 -0.37 10.12 0.04 -1.26 -0.74 135.00 145.22 1de3 s PRO 98 Ca 0.05 -0.60 -0.28 0.00 0.04 0.00 0.00 61.00 60.21 1de3 s PRO 98 Cb -0.10 -5.16 0.02 0.00 0.04 0.00 0.00 34.50 29.30 1de3 s PRO 98 CO 0.00 -3.14 1.04 -0.08 0.04 0.00 0.00 177.00 174.87 1de3 s THR 99 N 8.85 4.47 0.42 1.26 -1.32 -1.19 -4.79 115.64 123.34 1de3 s THR 99 Ca 0.64 1.44 -0.18 0.00 -1.21 0.00 0.00 61.69 62.38 1de3 s THR 99 Cb -0.04 -4.43 -0.10 0.00 -1.51 0.00 0.00 72.50 66.42 1de3 s THR 99 CO -0.01 -0.62 0.91 -0.36 -2.21 0.00 0.00 174.62 172.32 1de3 s PHE 100 N 3.77 3.36 0.03 9.09 0.40 -1.26 -4.52 117.98 128.85 1de3 s PHE 100 Ca 0.44 1.47 -0.17 0.00 -0.60 0.00 0.00 56.93 58.07 1de3 s PHE 100 Cb -0.11 -2.75 -0.26 0.00 0.51 0.00 0.00 43.02 40.41 1de3 s PHE 100 CO 0.20 -0.12 1.10 -1.00 0.70 0.00 0.00 175.22 176.10 1de3 h PRO 101 N 1.74 0.54 -1.19 0.24 0.13 -1.92 -3.15 132.00 128.39 1de3 h PRO 101 Ca -0.48 -0.65 0.34 0.00 -0.87 0.00 0.00 66.00 64.34 1de3 h PRO 101 Cb 1.18 0.20 -0.07 0.00 0.13 0.00 0.00 31.00 32.44 1de3 h PRO 101 CO 0.62 1.26 0.82 0.22 -0.23 0.00 0.00 178.00 180.69 1de3 h ASP 102 N 0.10 0.18 0.00 1.44 1.82 -1.96 -3.44 116.42 114.57 1de3 h ASP 102 Ca -0.13 0.04 0.00 0.00 -0.39 0.00 0.00 57.03 56.55 1de3 h ASP 102 Cb 1.62 0.02 0.00 0.00 0.68 0.00 0.00 39.33 41.65 1de3 h ASP 102 CO 0.18 0.01 0.00 0.61 -1.61 0.00 0.00 179.24 178.43 1de3 n GLY 103 N -1.65 0.81 3.72 -0.78 0.00 -1.19 -5.06 105.19 101.04 1de3 n GLY 103 Ca 0.28 -0.17 -0.40 0.00 0.00 0.00 0.00 46.02 45.74 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 3.57 -1.15 1.61 -3.43 -1.26 -4.97 115.29 107.67 1de3 s HIS 104 Ca 0.00 1.21 -0.22 0.00 -0.80 0.00 0.00 55.06 55.26 1de3 s HIS 104 Cb 0.00 -2.78 -0.02 0.00 -1.43 0.00 0.00 32.58 28.35 1de3 s HIS 104 CO 0.00 0.09 1.81 0.34 -2.00 0.00 0.00 174.74 174.98 1de3 s ASP 105 N 0.79 5.78 0.08 7.38 2.15 -1.26 -4.48 116.67 127.11 1de3 s ASP 105 Ca 0.36 -1.69 -0.23 0.00 0.43 0.00 0.00 52.55 51.43 1de3 s ASP 105 Cb -0.17 -2.58 -0.13 0.00 -0.30 0.00 0.00 42.92 39.74 1de3 s ASP 105 CO 0.17 -2.24 0.51 0.00 -0.17 0.00 0.00 175.17 173.44 1de3 n TYR 106 N 11.79 -0.02 -1.32 -5.34 9.36 -1.26 -4.68 117.16 125.70 1de3 n TYR 106 Ca 0.44 0.70 -0.29 0.00 3.32 0.00 0.00 57.90 62.06 1de3 n TYR 106 Cb 0.47 -1.39 -0.10 0.00 -0.63 0.00 0.00 39.34 37.69 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 0.83 0.53 0.16 2.98 2.85 -1.26 -4.61 118.16 119.63 1de3 n LYS 107 Ca 0.13 -1.67 0.13 0.00 -1.05 0.00 0.00 58.31 55.85 1de3 n LYS 107 Cb 0.12 -3.38 0.41 0.00 -0.65 0.00 0.00 35.03 31.53 1de3 n LYS 107 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 177.40 177.62 1de3 h PHE 108 N 10.37 0.00 -0.00 5.58 -5.15 -1.92 -2.63 116.94 123.20 1de3 h PHE 108 Ca 0.17 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.94 1de3 h PHE 108 Cb 0.86 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.03 1de3 h PHE 108 CO 1.07 0.00 -0.28 -0.40 -2.00 0.00 0.00 178.31 176.70 1de3 n ASP 109 N -2.56 0.35 -4.46 -0.68 5.68 -1.26 0.20 116.55 113.82 1de3 n ASP 109 Ca 0.04 -0.05 -0.43 0.00 -0.50 0.00 0.00 54.79 53.84 1de3 n ASP 109 Cb 0.39 -0.04 -0.03 0.00 -1.14 0.00 0.00 41.12 40.30 1de3 n ASP 109 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 1de3 s SER 110 N -2.92 6.37 0.01 -1.12 0.15 -0.99 -3.33 113.70 111.86 1de3 s SER 110 Ca 0.14 -1.41 -0.05 0.00 0.70 0.00 0.00 55.95 55.33 1de3 s SER 110 Cb 0.18 -2.42 -0.03 0.00 -1.71 0.00 0.00 66.02 62.04 1de3 s SER 110 CO 0.61 -1.31 1.08 0.50 1.20 0.00 0.00 173.24 175.32 1de3 h LYS 111 N 9.31 -0.18 -4.17 5.44 3.64 -1.87 -3.15 116.57 125.61 1de3 h LYS 111 Ca -0.09 0.01 -0.50 0.00 -1.27 0.00 0.00 60.65 58.80 1de3 h LYS 111 Cb 1.05 0.04 -0.36 0.00 -0.41 0.00 0.00 32.23 32.54 1de3 h LYS 111 CO 1.17 -0.12 -0.80 -1.59 -2.27 0.00 0.00 179.45 175.85 1de3 s LYS 112 N -3.41 1.35 0.92 1.90 0.00 -1.26 -3.68 119.74 115.55 1de3 s LYS 112 Ca -0.03 -0.20 -0.16 0.00 0.00 0.00 0.00 55.97 55.58 1de3 s LYS 112 Cb 0.00 -1.41 0.22 0.00 0.00 0.00 0.00 37.83 36.64 1de3 s LYS 112 CO 0.08 -0.22 1.11 -0.35 0.00 0.00 0.00 175.35 175.97 1de3 n PRO 113 N 4.76 -1.62 -3.18 1.78 -0.04 -1.26 -5.18 135.00 130.26 1de3 n PRO 113 Ca -0.14 -1.73 0.02 0.00 -0.04 0.00 0.00 63.50 61.61 1de3 n PRO 113 Cb 0.50 -1.26 -0.02 0.00 -0.04 0.00 0.00 33.50 32.68 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 -5.44 0.53 0.60 0.54 2.20 -1.24 -4.76 119.74 112.17 1de3 s LYS 114 Ca 0.65 0.87 -0.19 0.00 -0.36 0.00 0.00 55.97 56.94 1de3 s LYS 114 Cb -0.03 0.35 -0.03 0.00 -1.51 0.00 0.00 37.83 36.61 1de3 s LYS 114 CO 0.47 -0.68 1.22 -2.00 -0.36 0.00 0.00 175.35 173.99 1de3 s GLU 115 N 2.80 2.92 0.35 4.03 2.12 -1.26 -4.98 118.70 124.68 1de3 s GLU 115 Ca 0.18 1.86 -0.28 0.00 0.36 0.00 0.00 54.97 57.10 1de3 s GLU 115 Cb -0.14 -1.92 -0.12 0.00 0.26 0.00 0.00 34.13 32.21 1de3 s GLU 115 CO -0.21 -1.26 1.28 -1.71 -0.54 0.00 0.00 175.26 172.83 1de3 n ASN 116 N -1.63 2.72 -2.96 -1.70 5.15 -1.26 -5.01 115.26 110.58 1de3 n ASN 116 Ca 0.14 1.19 0.00 0.00 -0.60 0.00 0.00 54.58 55.31 1de3 n ASN 116 Cb 0.49 -1.49 0.00 0.00 -0.53 0.00 0.00 39.78 38.26 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 0.48 0.16 -3.59 1.20 -0.04 -1.26 -5.09 135.00 126.86 1de3 n PRO 117 Ca 0.05 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.31 1de3 n PRO 117 Cb 0.37 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.80 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 -1.72 1.92 -0.06 0.55 0.00 -1.26 -5.07 107.32 101.67 1de3 s GLY 118 Ca 0.00 -1.73 -0.18 0.00 0.00 0.00 0.00 44.72 42.81 1de3 s GLY 118 CO 0.00 -1.60 0.71 -0.56 0.00 0.00 0.00 173.10 171.66 1de3 h PRO 119 N 1.06 -0.22 -6.65 2.90 0.13 -1.90 -3.45 132.00 123.87 1de3 h PRO 119 Ca -0.43 0.01 -0.51 0.00 -0.87 0.00 0.00 66.00 64.21 1de3 h PRO 119 Cb 1.26 0.05 -0.01 0.00 0.13 0.00 0.00 31.00 32.43 1de3 h PRO 119 CO 0.56 0.16 0.41 0.00 -0.23 0.00 0.00 178.00 178.90 1de3 s ALA 120 N -3.48 3.32 0.03 -0.56 0.00 -1.26 -3.60 121.76 116.21 1de3 s ALA 120 Ca -0.11 0.69 0.02 0.00 0.00 0.00 0.00 51.96 52.56 1de3 s ALA 120 Cb 0.00 -3.29 -0.02 0.00 0.00 0.00 0.00 23.12 19.81 1de3 s ALA 120 CO 0.39 -0.05 -0.06 1.03 0.00 0.00 0.00 175.76 177.07 1de3 s ARG 121 N -0.48 0.47 0.17 0.00 0.52 0.16 -3.20 118.95 116.59 1de3 s ARG 121 Ca 0.46 -0.59 -0.21 0.00 -0.52 0.00 0.00 55.73 54.88 1de3 s ARG 121 Cb -0.27 -0.27 -0.08 0.00 0.52 0.00 0.00 34.95 34.85 1de3 s ARG 121 CO 0.33 0.05 0.69 0.54 0.02 0.00 0.00 175.30 176.93 1de3 s VAL 122 N -1.05 4.58 -0.02 3.52 0.11 0.08 -0.64 120.40 126.98 1de3 s VAL 122 Ca -0.07 1.34 0.05 0.00 -2.93 0.00 0.00 61.98 60.36 1de3 s VAL 122 Cb -0.08 -3.93 -0.01 0.00 -1.53 0.00 0.00 36.38 30.84 1de3 s VAL 122 CO 0.00 0.37 -0.16 -0.63 -3.33 0.00 0.00 175.10 171.35 1de3 s ILE 123 N -1.33 1.31 -0.29 7.04 -1.09 -0.89 -1.81 121.20 124.14 1de3 s ILE 123 Ca 0.38 -0.68 -0.24 0.00 -2.23 0.00 0.00 60.65 57.87 1de3 s ILE 123 Cb -0.19 -1.11 0.15 0.00 -1.58 0.00 0.00 42.46 39.73 1de3 s ILE 123 CO 0.22 0.37 1.17 -0.72 -1.23 0.00 0.00 174.94 174.75 1de3 s TYR 124 N -0.18 -0.34 0.00 3.97 1.13 -1.20 -1.68 117.35 119.05 1de3 s TYR 124 Ca 0.02 0.81 0.00 0.00 -1.41 0.00 0.00 57.07 56.48 1de3 s TYR 124 Cb -0.08 0.39 0.00 0.00 -1.10 0.00 0.00 41.96 41.17 1de3 s TYR 124 CO 0.00 -0.16 0.00 0.25 -2.51 0.00 0.00 175.55 173.13 1de3 n THR 125 N 2.11 0.00 -3.61 -3.49 -2.24 -1.25 -2.70 114.28 103.10 1de3 n THR 125 Ca -0.12 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.55 1de3 n THR 125 Cb 0.56 -0.38 -0.06 0.00 -2.10 0.00 0.00 70.33 68.35 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 -0.54 -0.47 -1.76 4.78 5.04 -1.26 -2.32 117.35 120.82 1de3 s TYR 126 Ca 0.00 1.04 0.24 0.00 -2.44 0.00 0.00 57.07 55.91 1de3 s TYR 126 Cb 0.00 0.39 1.35 0.00 0.35 0.00 0.00 41.96 44.05 1de3 s TYR 126 CO 0.00 -0.30 1.81 -0.35 -1.34 0.00 0.00 175.55 175.37 1de3 n PRO 127 N 1.70 0.59 -0.26 4.97 -0.04 -1.26 -4.08 135.00 136.61 1de3 n PRO 127 Ca -0.12 0.03 0.06 0.00 -0.04 0.00 0.00 63.50 63.42 1de3 n PRO 127 Cb 0.56 -1.50 0.17 0.00 -0.04 0.00 0.00 33.50 32.69 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 -0.29 -4.08 3.54 2.35 -1.96 -3.45 115.58 111.70 1de3 h ASN 128 Ca 0.00 0.19 -0.39 0.00 -0.55 0.00 0.00 56.30 55.55 1de3 h ASN 128 Cb 0.09 0.33 0.01 0.00 0.05 0.00 0.00 38.32 38.80 1de3 h ASN 128 CO 0.00 -0.17 -0.55 0.29 -1.65 0.00 0.00 177.43 175.35 1de3 n LYS 129 N -5.32 -3.49 -1.84 0.81 5.02 -0.98 -4.85 118.16 107.51 1de3 n LYS 129 Ca 0.14 0.86 -0.21 0.00 -2.02 0.00 0.00 58.31 57.08 1de3 n LYS 129 Cb 0.49 -5.62 -0.07 0.00 -0.02 0.00 0.00 35.03 29.81 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 -3.05 3.27 -0.44 -0.18 1.01 -1.26 -4.70 120.40 115.05 1de3 s VAL 130 Ca 0.19 -0.30 -0.40 0.00 0.00 0.00 0.00 61.98 61.47 1de3 s VAL 130 Cb -0.09 -3.79 -0.16 0.00 0.00 0.00 0.00 36.38 32.35 1de3 s VAL 130 CO 0.24 -0.54 2.17 0.33 0.00 0.00 0.00 175.10 177.29 1de3 n PHE 131 N 16.30 1.34 -0.06 5.22 7.35 -1.26 -3.85 117.46 142.50 1de3 n PHE 131 Ca 0.43 0.55 -0.04 0.00 -0.76 0.00 0.00 57.45 57.63 1de3 n PHE 131 Cb 0.46 -2.40 -0.02 0.00 0.35 0.00 0.00 39.48 37.87 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 1.68 1.47 2.80 0.00 0.00 -1.21 -5.06 105.19 104.87 1de3 n GLY 133 Ca -0.05 -0.20 -0.16 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.51 0.06 0.02 -0.61 1.09 -1.26 -2.09 121.20 117.90 1de3 s ILE 134 Ca 0.00 0.14 0.08 0.00 -1.10 0.00 0.00 60.65 59.77 1de3 s ILE 134 Cb 0.00 -0.16 -0.03 0.00 -1.06 0.00 0.00 42.46 41.21 1de3 s ILE 134 CO 0.00 0.11 -0.25 0.27 -0.10 0.00 0.00 174.94 174.97 1de3 s ILE 135 N 0.94 2.24 0.02 2.92 -4.36 0.19 -0.27 121.20 122.88 1de3 s ILE 135 Ca -0.09 -1.26 -0.01 0.00 -0.26 0.00 0.00 60.65 59.04 1de3 s ILE 135 Cb -0.12 -1.85 -0.02 0.00 1.25 0.00 0.00 42.46 41.72 1de3 s ILE 135 CO -0.02 0.43 -0.01 0.00 0.24 0.00 0.00 174.94 175.59 1de3 s ALA 136 N -0.76 0.05 -0.13 2.27 0.00 -0.91 0.38 121.76 122.66 1de3 s ALA 136 Ca 0.12 -0.50 -0.29 0.00 0.00 0.00 0.00 51.96 51.28 1de3 s ALA 136 Cb -0.10 0.14 -0.03 0.00 0.00 0.00 0.00 23.12 23.13 1de3 s ALA 136 CO 0.01 -0.16 1.42 -1.01 0.00 0.00 0.00 175.76 176.03 1de3 s HIS 137 N -1.39 2.49 -0.02 0.00 3.76 -1.24 -0.47 115.29 118.42 1de3 s HIS 137 Ca -0.15 0.68 -0.03 0.00 -0.15 0.00 0.00 55.06 55.41 1de3 s HIS 137 Cb -0.09 -3.69 -0.13 0.00 1.11 0.00 0.00 32.58 29.78 1de3 s HIS 137 CO -0.01 -2.55 2.85 0.25 -0.85 0.00 0.00 174.74 174.43 1de3 n THR 138 N 5.50 2.57 -2.65 1.30 -2.24 -1.17 -4.00 114.28 113.58 1de3 n THR 138 Ca 0.15 -1.11 -0.03 0.00 -2.27 0.00 0.00 64.05 60.80 1de3 n THR 138 Cb 0.44 -1.75 0.04 0.00 -2.10 0.00 0.00 70.33 66.96 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 0.41 0.00 0.97 -0.78 2.36 -1.24 -3.96 119.74 117.50 1de3 s LYS 139 Ca 0.37 -0.00 0.00 0.00 -2.55 0.00 0.00 55.97 53.78 1de3 s LYS 139 Cb 0.18 -0.00 0.00 0.00 -1.05 0.00 0.00 37.83 36.96 1de3 s LYS 139 CO -0.01 -0.01 0.00 0.39 1.55 0.00 0.00 175.35 177.28 1de3 n GLU 140 N 2.60 0.00 -0.73 4.03 -0.58 0.11 -0.84 120.64 125.23 1de3 n GLU 140 Ca 0.09 0.00 -0.01 0.00 -0.42 0.00 0.00 57.16 56.82 1de3 n GLU 140 Cb 0.67 0.00 -0.01 0.00 -0.57 0.00 0.00 31.44 31.52 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 2.96 -0.11 -4.15 1.62 2.85 -1.26 -4.70 115.26 112.48 1de3 n ASN 141 Ca 0.00 -1.57 -0.11 0.00 -0.11 0.00 0.00 54.58 52.79 1de3 n ASN 141 Cb 0.00 -0.01 -0.09 0.00 1.24 0.00 0.00 39.78 40.91 1de3 n ASN 141 CO 0.00 0.00 0.00 -1.10 -2.11 0.00 0.00 177.26 174.05 1de3 s GLN 142 N 0.00 1.17 0.65 1.20 -0.21 -0.02 -4.92 119.66 117.53 1de3 s GLN 142 Ca 0.04 -1.51 0.00 0.00 0.02 0.00 0.00 55.36 53.91 1de3 s GLN 142 Cb 0.05 0.29 0.00 0.00 1.00 0.00 0.00 33.01 34.35 1de3 s GLN 142 CO -0.02 -0.39 0.00 0.41 -2.12 0.00 0.00 175.29 173.17 1de3 n GLY 143 N -0.24 -0.99 3.70 3.09 0.00 -1.26 -3.70 105.19 105.79 1de3 n GLY 143 Ca -0.01 -1.73 -0.42 0.00 0.00 0.00 0.00 46.02 43.85 1de3 n GLY 143 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1de3 s GLU 144 N 0.00 4.47 -0.17 1.61 -1.05 -1.26 -4.89 118.70 117.41 1de3 s GLU 144 Ca 0.00 1.41 -0.29 0.00 -0.15 0.00 0.00 54.97 55.94 1de3 s GLU 144 Cb 0.00 -3.51 -0.02 0.00 -0.44 0.00 0.00 34.13 30.16 1de3 s GLU 144 CO 0.00 -0.23 1.35 -0.51 0.95 0.00 0.00 175.26 176.82 1de3 s LEU 145 N 1.67 4.16 -0.29 1.83 1.02 -1.26 -3.03 118.68 122.77 1de3 s LEU 145 Ca 0.50 1.72 -0.13 0.00 0.02 0.00 0.00 54.13 56.24 1de3 s LEU 145 Cb -0.19 -3.54 -0.04 0.00 0.02 0.00 0.00 46.19 42.44 1de3 s LEU 145 CO 0.21 -0.85 0.28 -0.75 0.02 0.00 0.00 176.35 175.27 1de3 s LYS 146 N 3.72 3.87 -0.66 1.70 2.20 0.39 -4.82 119.74 126.13 1de3 s LYS 146 Ca 0.59 -0.24 -0.28 0.00 -0.36 0.00 0.00 55.97 55.67 1de3 s LYS 146 Cb -0.23 -3.69 -0.13 0.00 -1.51 0.00 0.00 37.83 32.27 1de3 s LYS 146 CO 0.19 -0.29 2.51 -0.11 -0.36 0.00 0.00 175.35 177.28 1de3 n LEU 147 N 5.21 1.58 -4.30 5.43 7.94 -1.26 -2.15 117.00 129.45 1de3 n LEU 147 Ca -0.11 -0.21 -0.34 0.00 -1.11 0.00 0.00 56.01 54.24 1de3 n LEU 147 Cb 0.51 -1.33 0.09 0.00 0.53 0.00 0.00 43.42 43.22 1de3 n LEU 147 CO 0.36 -1.22 -0.44 0.00 -1.11 0.00 0.00 177.39 174.98 1de3 s SER 149 N -1.65 1.20 0.00 0.00 0.01 -1.01 -4.72 113.70 107.52 1de3 s SER 149 Ca 0.53 -0.19 0.19 0.00 1.31 0.00 0.00 55.95 57.80 1de3 s SER 149 Cb -0.22 -0.41 0.15 0.00 0.21 0.00 0.00 66.02 65.75 1de3 s SER 149 CO 0.71 0.03 1.11 0.00 0.41 0.00 0.00 173.24 175.50