#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 4.00 -0.82 0.00 1.01 -1.26 -4.89 120.40 118.44 1de3 s VAL 2 Ca 0.00 -0.33 -0.23 0.00 0.00 0.00 0.00 61.98 61.42 1de3 s VAL 2 Cb 0.00 -2.74 0.06 0.00 0.00 0.00 0.00 36.38 33.70 1de3 s VAL 2 CO 0.00 0.51 1.21 -0.89 0.00 0.00 0.00 175.10 175.93 1de3 s THR 3 N 0.13 4.10 -0.75 3.92 2.01 -1.26 0.06 115.64 123.85 1de3 s THR 3 Ca -0.00 -0.43 -0.20 0.00 0.31 0.00 0.00 61.69 61.36 1de3 s THR 3 Cb -0.13 -4.87 0.10 0.00 0.01 0.00 0.00 72.50 67.61 1de3 s THR 3 CO 0.03 -1.71 0.98 0.26 -0.69 0.00 0.00 174.62 173.48 1de3 s TRP 4 N 4.58 2.91 -0.17 4.92 0.52 0.21 -3.98 118.94 127.93 1de3 s TRP 4 Ca 0.34 -0.96 -0.15 0.00 0.02 0.00 0.00 56.10 55.35 1de3 s TRP 4 Cb -0.08 -4.23 -0.04 0.00 -1.15 0.00 0.00 33.47 27.96 1de3 s TRP 4 CO 0.03 -1.52 0.34 0.99 0.02 0.00 0.00 176.95 176.81 1de3 s THR 5 N 3.25 5.27 -0.13 2.01 2.01 -0.59 -0.91 115.64 126.54 1de3 s THR 5 Ca 0.24 0.62 0.02 0.00 0.31 0.00 0.00 61.69 62.89 1de3 s THR 5 Cb -0.14 -3.67 0.01 0.00 0.01 0.00 0.00 72.50 68.71 1de3 s THR 5 CO 0.02 0.34 -0.20 0.00 -0.69 0.00 0.00 174.62 174.09 1de3 s LEU 7 N 0.86 5.35 0.24 0.00 1.43 -1.26 -0.02 118.68 125.28 1de3 s LEU 7 Ca -0.07 -2.40 -0.06 0.00 -1.03 0.00 0.00 54.13 50.56 1de3 s LEU 7 Cb -0.15 -2.36 -0.06 0.00 0.03 0.00 0.00 46.19 43.64 1de3 s LEU 7 CO -0.02 -0.89 0.52 0.20 0.23 0.00 0.00 176.35 176.38 1de3 s ASN 8 N 3.16 6.51 -0.05 2.29 0.02 -0.93 -4.49 114.94 121.45 1de3 s ASN 8 Ca 0.33 0.75 -0.06 0.00 -1.02 0.00 0.00 52.86 52.86 1de3 s ASN 8 Cb -0.05 -2.16 -0.04 0.00 0.02 0.00 0.00 41.25 39.02 1de3 s ASN 8 CO -0.07 -0.11 0.19 -0.62 0.02 0.00 0.00 177.10 176.51 1de3 s ASP 9 N -2.76 6.42 -0.14 -1.22 2.15 -1.26 -0.87 116.67 118.99 1de3 s ASP 9 Ca 0.44 0.46 -0.02 0.00 0.43 0.00 0.00 52.55 53.86 1de3 s ASP 9 Cb -0.11 -2.06 0.05 0.00 -0.30 0.00 0.00 42.92 40.50 1de3 s ASP 9 CO 0.26 0.32 0.03 -1.10 -0.17 0.00 0.00 175.17 174.51 1de3 s GLN 10 N -1.50 0.55 -1.27 4.34 -0.21 0.57 -0.61 119.66 121.54 1de3 s GLN 10 Ca 0.22 -0.16 -0.18 0.00 0.02 0.00 0.00 55.36 55.26 1de3 s GLN 10 Cb -0.13 -1.61 0.07 0.00 1.00 0.00 0.00 33.01 32.34 1de3 s GLN 10 CO 0.12 -0.51 1.71 0.21 -2.12 0.00 0.00 175.29 174.70 1de3 s LYS 11 N 1.94 3.96 0.09 2.91 2.20 -1.26 -0.89 119.74 128.69 1de3 s LYS 11 Ca 0.02 -1.93 -0.32 0.00 -0.36 0.00 0.00 55.97 53.38 1de3 s LYS 11 Cb -0.15 -5.52 -0.11 0.00 -1.51 0.00 0.00 37.83 30.55 1de3 s LYS 11 CO -0.07 -2.25 1.85 -1.71 -0.36 0.00 0.00 175.35 172.82 1de3 n ASN 12 N 8.39 3.94 0.20 1.43 5.15 -0.24 -4.80 115.26 129.33 1de3 n ASN 12 Ca 0.47 0.98 0.06 0.00 -0.60 0.00 0.00 54.58 55.49 1de3 n ASN 12 Cb 0.46 -1.51 0.41 0.00 -0.53 0.00 0.00 39.78 38.61 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 8.81 0.00 -0.23 1.20 0.13 -1.93 0.18 132.00 140.16 1de3 h PRO 13 Ca -0.47 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1de3 h PRO 13 Cb 1.23 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.35 1de3 h PRO 13 CO 0.94 0.34 0.13 -0.22 -0.23 0.00 0.00 178.00 178.96 1de3 h LYS 14 N 0.00 0.31 -0.02 0.86 1.63 -1.96 -2.88 116.57 114.52 1de3 h LYS 14 Ca -0.00 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.76 1de3 h LYS 14 Cb 0.73 -0.06 0.00 0.00 -0.60 0.00 0.00 32.23 32.30 1de3 h LYS 14 CO 0.04 0.28 -0.38 0.25 -3.45 0.00 0.00 179.45 176.19 1de3 n THR 15 N -4.88 0.00 -2.50 1.00 -2.24 -1.20 -4.97 114.28 99.50 1de3 n THR 15 Ca -0.03 -0.31 -0.06 0.00 -2.27 0.00 0.00 64.05 61.39 1de3 n THR 15 Cb 0.07 1.30 -0.00 0.00 -2.10 0.00 0.00 70.33 69.59 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 0.25 -2.31 -4.27 3.42 5.15 0.62 -4.92 115.26 113.20 1de3 n ASN 16 Ca 0.10 0.35 -0.21 0.00 -0.60 0.00 0.00 54.58 54.22 1de3 n ASN 16 Cb 0.49 -2.04 -0.12 0.00 -0.53 0.00 0.00 39.78 37.59 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 1.09 -0.20 1.20 1.02 -1.05 -4.90 119.74 111.85 1de3 s LYS 17 Ca 0.01 -1.21 -0.18 0.00 0.02 0.00 0.00 55.97 54.61 1de3 s LYS 17 Cb -0.01 -1.15 -0.03 0.00 -0.52 0.00 0.00 37.83 36.12 1de3 s LYS 17 CO 0.01 0.25 0.49 0.71 -0.92 0.00 0.00 175.35 175.89 1de3 s TYR 18 N -1.67 3.37 0.09 3.18 2.02 -1.26 -1.08 117.35 121.99 1de3 s TYR 18 Ca 0.08 0.73 0.10 0.00 -0.37 0.00 0.00 57.07 57.61 1de3 s TYR 18 Cb -0.08 -2.65 -0.03 0.00 -0.40 0.00 0.00 41.96 38.81 1de3 s TYR 18 CO 0.04 -0.10 -0.26 -1.21 -1.57 0.00 0.00 175.55 172.46 1de3 s GLU 19 N 1.62 1.55 -0.88 -0.62 2.02 -0.07 -4.89 118.70 117.43 1de3 s GLU 19 Ca 0.23 -1.20 -0.11 0.00 0.02 0.00 0.00 54.97 53.91 1de3 s GLU 19 Cb -0.15 -1.86 0.23 0.00 0.10 0.00 0.00 34.13 32.44 1de3 s GLU 19 CO 0.09 0.46 0.82 0.99 0.02 0.00 0.00 175.26 177.64 1de3 s THR 20 N -0.94 5.42 0.56 3.63 2.01 -1.26 -0.31 115.64 124.74 1de3 s THR 20 Ca 0.12 -2.86 -0.17 0.00 0.31 0.00 0.00 61.69 59.09 1de3 s THR 20 Cb -0.10 -4.33 -0.05 0.00 0.01 0.00 0.00 72.50 68.03 1de3 s THR 20 CO 0.04 -1.05 1.05 -0.54 -0.69 0.00 0.00 174.62 173.42 1de3 s LYS 21 N -0.32 3.49 -0.62 4.92 -0.14 -0.05 -4.86 119.74 122.16 1de3 s LYS 21 Ca 0.22 1.23 -0.16 0.00 -1.36 0.00 0.00 55.97 55.89 1de3 s LYS 21 Cb -0.11 -2.06 0.14 0.00 -1.68 0.00 0.00 37.83 34.13 1de3 s LYS 21 CO -0.08 -0.68 0.62 1.03 -0.76 0.00 0.00 175.35 175.48 1de3 s ARG 22 N -3.86 3.15 -1.11 1.68 0.52 -1.26 -2.18 118.95 115.88 1de3 s ARG 22 Ca 0.64 -1.78 -0.19 0.00 -0.52 0.00 0.00 55.73 53.88 1de3 s ARG 22 Cb -0.16 -4.34 0.10 0.00 0.52 0.00 0.00 34.95 31.07 1de3 s ARG 22 CO 0.32 -1.38 1.45 -0.51 0.02 0.00 0.00 175.30 175.20 1de3 s LEU 23 N 1.58 4.26 -0.15 2.53 1.02 0.98 -4.89 118.68 124.01 1de3 s LEU 23 Ca 0.09 -2.16 -0.29 0.00 0.02 0.00 0.00 54.13 51.78 1de3 s LEU 23 Cb -0.24 -2.50 -0.01 0.00 0.02 0.00 0.00 46.19 43.47 1de3 s LEU 23 CO 0.01 -1.16 1.06 -0.22 0.02 0.00 0.00 176.35 176.05 1de3 s LEU 24 N 3.57 4.19 0.35 1.79 1.98 -1.26 0.01 118.68 129.31 1de3 s LEU 24 Ca 0.44 1.51 0.09 0.00 -2.89 0.00 0.00 54.13 53.29 1de3 s LEU 24 Cb -0.01 -3.55 -0.06 0.00 0.66 0.00 0.00 46.19 43.24 1de3 s LEU 24 CO -0.03 -0.56 -0.01 -0.31 -1.89 0.00 0.00 176.35 173.55 1de3 s TYR 25 N 2.57 2.51 -0.13 5.38 1.51 -0.09 -4.78 117.35 124.33 1de3 s TYR 25 Ca 0.48 -0.48 0.03 0.00 -1.01 0.00 0.00 57.07 56.09 1de3 s TYR 25 Cb -0.18 -1.50 0.01 0.00 -0.11 0.00 0.00 41.96 40.17 1de3 s TYR 25 CO 0.14 0.49 -0.22 1.21 -1.11 0.00 0.00 175.55 176.05 1de3 s ASN 26 N -3.70 3.07 0.21 2.29 2.47 -1.26 -0.62 114.94 117.40 1de3 s ASN 26 Ca 0.34 -0.58 -0.10 0.00 0.42 0.00 0.00 52.86 52.95 1de3 s ASN 26 Cb 0.01 -1.42 0.23 0.00 -1.45 0.00 0.00 41.25 38.63 1de3 s ASN 26 CO 0.19 0.10 1.80 -0.61 -3.72 0.00 0.00 177.10 174.86 1de3 h GLN 27 N 7.13 0.63 -1.27 0.43 -0.00 -0.72 -0.28 115.11 121.02 1de3 h GLN 27 Ca -0.28 -0.04 0.41 0.00 -0.00 0.00 0.00 58.65 58.74 1de3 h GLN 27 Cb 1.21 -0.14 -0.13 0.00 0.00 0.00 0.00 27.48 28.42 1de3 h GLN 27 CO 0.52 0.42 0.82 -0.97 0.00 0.00 0.00 178.83 179.62 1de3 h ASN 28 N 0.65 0.27 0.15 -0.69 -1.24 -1.93 0.65 115.58 113.44 1de3 h ASN 28 Ca 0.29 0.13 -0.26 0.00 0.71 0.00 0.00 56.30 57.17 1de3 h ASN 28 Cb 0.20 0.11 0.01 0.00 0.73 0.00 0.00 38.32 39.37 1de3 h ASN 28 CO -0.19 -0.15 -1.26 0.11 -1.29 0.00 0.00 177.43 174.65 1de3 h LYS 29 N 0.13 0.32 -0.26 6.67 6.56 -1.45 0.31 116.57 128.84 1de3 h LYS 29 Ca 0.79 -0.55 0.00 0.00 -1.06 0.00 0.00 60.65 59.83 1de3 h LYS 29 Cb 2.41 0.21 -0.01 0.00 -0.57 0.00 0.00 32.23 34.27 1de3 h LYS 29 CO -0.41 1.26 0.17 0.00 -2.06 0.00 0.00 179.45 178.41 1de3 h ALA 30 N 0.04 0.33 -0.65 3.86 0.00 -0.21 0.54 119.26 123.17 1de3 h ALA 30 Ca -0.25 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.55 1de3 h ALA 30 Cb 1.82 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 19.48 1de3 h ALA 30 CO 0.13 -0.20 0.06 1.05 0.00 0.00 0.00 179.25 180.30 1de3 h GLU 31 N 0.35 1.11 -0.11 0.00 -0.00 0.17 -0.73 114.58 115.37 1de3 h GLU 31 Ca 0.10 -0.32 -0.05 0.00 -0.00 0.00 0.00 59.36 59.09 1de3 h GLU 31 Cb -0.03 -0.12 -0.00 0.00 -0.00 0.00 0.00 28.75 28.60 1de3 h GLU 31 CO -0.02 1.04 -0.11 1.03 -0.00 0.00 0.00 179.01 180.95 1de3 h SER 32 N 1.02 0.29 -0.38 3.06 0.87 -0.50 -0.26 113.55 117.66 1de3 h SER 32 Ca 0.19 -0.49 0.07 0.00 -1.23 0.00 0.00 61.79 60.33 1de3 h SER 32 Cb 0.50 -0.08 -0.06 0.00 -0.44 0.00 0.00 62.40 62.32 1de3 h SER 32 CO 0.02 0.72 0.02 0.78 -0.53 0.00 0.00 176.83 177.84 1de3 h ASN 33 N -0.14 -0.10 -0.72 6.23 4.21 0.09 0.48 115.58 125.62 1de3 h ASN 33 Ca 0.02 0.08 -0.01 0.00 1.21 0.00 0.00 56.30 57.60 1de3 h ASN 33 Cb 0.64 0.13 -0.03 0.00 -1.12 0.00 0.00 38.32 37.94 1de3 h ASN 33 CO 0.03 -0.02 0.42 0.77 -1.29 0.00 0.00 177.43 177.35 1de3 h SER 34 N 0.13 0.88 0.39 5.81 4.64 -1.08 0.16 113.55 124.47 1de3 h SER 34 Ca 0.18 -0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 1de3 h SER 34 Cb 0.25 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 1de3 h SER 34 CO -0.29 0.69 0.00 1.41 -0.87 0.00 0.00 176.83 177.78 1de3 n HIS 35 N -4.51 0.16 -0.11 4.77 8.25 -0.11 -1.53 115.22 122.14 1de3 n HIS 35 Ca 0.06 0.07 -0.13 0.00 -0.26 0.00 0.00 57.72 57.46 1de3 n HIS 35 Cb 0.07 -0.61 -0.14 0.00 1.12 0.00 0.00 29.99 30.43 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 -1.65 0.00 -2.24 4.41 -0.00 0.04 -4.96 115.22 110.82 1de3 n HIS 36 Ca 0.02 0.00 -0.42 0.00 -0.00 0.00 0.00 57.72 57.32 1de3 n HIS 36 Cb 0.13 -0.97 -0.03 0.00 -0.00 0.00 0.00 29.99 29.12 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 -2.49 3.53 -0.01 -1.41 0.00 0.48 -4.99 121.76 116.87 1de3 s ALA 37 Ca -0.21 1.06 -0.30 0.00 0.00 0.00 0.00 51.96 52.51 1de3 s ALA 37 Cb 0.07 -3.49 -0.05 0.00 0.00 0.00 0.00 23.12 19.65 1de3 s ALA 37 CO 0.70 -0.54 1.32 -1.25 0.00 0.00 0.00 175.76 176.00 1de3 s PRO 38 N 0.56 4.32 -1.07 0.00 0.04 -1.26 -4.90 135.00 132.69 1de3 s PRO 38 Ca 0.60 1.87 -0.26 0.00 0.04 0.00 0.00 61.00 63.25 1de3 s PRO 38 Cb -0.35 -3.54 -0.18 0.00 0.04 0.00 0.00 34.50 30.47 1de3 s PRO 38 CO 0.33 -0.51 2.10 -0.51 0.04 0.00 0.00 177.00 178.46 1de3 s LEU 39 N 2.19 2.59 -0.02 -3.56 1.43 -1.26 -4.46 118.68 115.59 1de3 s LEU 39 Ca 0.61 -1.00 -0.29 0.00 -1.03 0.00 0.00 54.13 52.42 1de3 s LEU 39 Cb -0.29 -2.59 0.08 0.00 0.03 0.00 0.00 46.19 43.41 1de3 s LEU 39 CO 0.25 -4.25 0.71 -0.94 0.23 0.00 0.00 176.35 172.35 1de3 s SER 40 N 8.34 -0.59 -0.17 2.29 1.04 -1.22 -4.34 113.70 119.05 1de3 s SER 40 Ca 0.80 0.50 -0.05 0.00 0.48 0.00 0.00 55.95 57.68 1de3 s SER 40 Cb -0.05 0.52 -0.03 0.00 0.10 0.00 0.00 66.02 66.56 1de3 s SER 40 CO 0.15 -0.66 -0.01 -0.62 0.98 0.00 0.00 173.24 173.09 1de3 s ASP 41 N -1.57 4.98 -1.15 7.02 2.15 -0.23 -3.87 116.67 124.00 1de3 s ASP 41 Ca -0.07 -0.11 -0.15 0.00 0.43 0.00 0.00 52.55 52.66 1de3 s ASP 41 Cb -0.00 -1.83 -0.02 0.00 -0.30 0.00 0.00 42.92 40.76 1de3 s ASP 41 CO 0.03 0.14 0.79 0.61 -0.17 0.00 0.00 175.17 176.57 1de3 n GLY 42 N 3.74 -0.91 1.14 2.66 0.00 -0.93 -4.37 105.19 106.52 1de3 n GLY 42 Ca -0.17 0.43 -0.00 0.00 0.00 0.00 0.00 46.02 46.28 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 -4.03 0.00 -4.17 1.61 4.81 -1.20 -4.99 118.16 110.19 1de3 n LYS 43 Ca -0.12 -1.42 -0.12 0.00 -0.87 0.00 0.00 58.31 55.78 1de3 n LYS 43 Cb 0.61 0.08 -0.09 0.00 0.02 0.00 0.00 35.03 35.65 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 0.00 0.01 3.15 2.01 -1.25 -5.02 115.64 114.53 1de3 s THR 44 Ca 0.17 -1.91 -0.02 0.00 0.31 0.00 0.00 61.69 60.23 1de3 s THR 44 Cb 0.19 -2.46 -0.01 0.00 0.01 0.00 0.00 72.50 70.23 1de3 s THR 44 CO -0.08 0.00 1.04 1.23 -0.69 0.00 0.00 174.62 176.11 1de3 h GLY 45 N 2.54 -1.21 0.67 4.40 0.00 -1.49 -0.98 103.07 106.99 1de3 h GLY 45 Ca -0.34 0.53 0.00 0.00 0.00 0.00 0.00 47.33 47.52 1de3 h GLY 45 CO 0.49 -0.45 0.00 -1.14 0.00 0.00 0.00 176.54 175.45 1de3 n SER 46 N -2.65 0.00 0.00 0.19 3.41 0.26 -3.90 113.62 110.93 1de3 n SER 46 Ca -0.01 -0.76 0.00 0.00 -0.26 0.00 0.00 58.87 57.84 1de3 n SER 46 Cb 0.03 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.98 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 -0.83 0.00 -4.74 4.04 2.88 -0.37 -4.98 113.62 109.61 1de3 n SER 47 Ca 0.09 0.00 -0.40 0.00 -1.33 0.00 0.00 58.87 57.23 1de3 n SER 47 Cb 0.04 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 63.52 1de3 n SER 47 CO 0.00 0.00 0.00 -1.22 -1.23 0.00 0.00 175.04 172.59 1de3 n TYR 48 N 0.00 2.48 -2.66 0.66 4.01 -1.26 -2.20 117.16 118.19 1de3 n TYR 48 Ca 0.00 0.45 -0.41 0.00 -0.16 0.00 0.00 57.90 57.78 1de3 n TYR 48 Cb 0.00 -2.42 -0.05 0.00 -0.31 0.00 0.00 39.34 36.56 1de3 n TYR 48 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 1de3 s PRO 49 N -2.46 4.71 0.37 -0.72 0.04 -1.25 -4.57 135.00 131.11 1de3 s PRO 49 Ca 0.63 1.55 -0.02 0.00 0.04 0.00 0.00 61.00 63.20 1de3 s PRO 49 Cb -0.46 -3.31 -0.04 0.00 0.04 0.00 0.00 34.50 30.73 1de3 s PRO 49 CO 0.56 0.26 0.60 -3.38 0.04 0.00 0.00 177.00 175.08 1de3 s HIS 50 N -0.44 3.51 0.01 0.56 -3.43 -0.10 -2.96 115.29 112.45 1de3 s HIS 50 Ca 0.46 0.49 -0.30 0.00 -0.80 0.00 0.00 55.06 54.91 1de3 s HIS 50 Cb -0.26 -2.01 -0.04 0.00 -1.43 0.00 0.00 32.58 28.83 1de3 s HIS 50 CO 0.32 0.05 1.16 -0.46 -2.00 0.00 0.00 174.74 173.81 1de3 s TRP 51 N -2.37 3.41 -0.84 0.38 -0.00 -1.26 0.15 118.94 118.41 1de3 s TRP 51 Ca 0.42 1.35 -0.16 0.00 -0.00 0.00 0.00 56.10 57.72 1de3 s TRP 51 Cb -0.10 -3.36 0.19 0.00 -0.00 0.00 0.00 33.47 30.19 1de3 s TRP 51 CO 0.37 -1.05 0.85 0.12 -0.00 0.00 0.00 176.95 177.24 1de3 s PHE 52 N 1.40 3.54 0.40 5.86 5.36 -0.26 -4.76 117.98 129.52 1de3 s PHE 52 Ca 0.57 -1.76 0.28 0.00 -0.96 0.00 0.00 56.93 55.05 1de3 s PHE 52 Cb -0.26 -3.95 1.38 0.00 -0.34 0.00 0.00 43.02 39.84 1de3 s PHE 52 CO 0.27 -1.14 1.48 0.25 -1.46 0.00 0.00 175.22 174.62 1de3 n THR 53 N 4.49 -0.28 -2.06 0.12 -2.24 -1.26 -4.51 114.28 108.54 1de3 n THR 53 Ca 0.15 1.76 -0.16 0.00 -2.27 0.00 0.00 64.05 63.52 1de3 n THR 53 Cb 0.47 -2.87 -0.03 0.00 -2.10 0.00 0.00 70.33 65.80 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 -4.73 -4.55 0.00 3.42 2.85 -1.26 -0.47 115.26 110.51 1de3 n ASN 54 Ca 0.38 0.21 0.00 0.00 -0.11 0.00 0.00 54.58 55.06 1de3 n ASN 54 Cb 1.42 -3.94 0.00 0.00 1.24 0.00 0.00 39.78 38.50 1de3 n ASN 54 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1de3 n GLY 55 N -0.67 3.00 3.42 8.20 0.00 -1.26 -3.60 105.19 114.28 1de3 n GLY 55 Ca -0.18 -0.76 -0.34 0.00 0.00 0.00 0.00 46.02 44.74 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 -1.31 0.28 1.61 4.01 0.38 -4.08 117.16 118.04 1de3 n TYR 56 Ca 0.00 0.27 0.12 0.00 -0.16 0.00 0.00 57.90 58.13 1de3 n TYR 56 Cb 0.00 -1.83 0.07 0.00 -0.31 0.00 0.00 39.34 37.27 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 -1.00 0.00 0.00 7.72 3.32 -1.30 -3.45 116.42 121.71 1de3 h ASP 57 Ca -0.44 -0.08 0.00 0.00 0.02 0.00 0.00 57.03 56.52 1de3 h ASP 57 Cb 1.31 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.86 1de3 h ASP 57 CO 0.37 0.04 0.00 0.61 -1.72 0.00 0.00 179.24 178.55 1de3 n GLY 58 N 1.23 1.38 1.34 2.75 0.00 -1.26 -5.02 105.19 105.61 1de3 n GLY 58 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 -0.08 -1.14 -3.75 116.55 113.18 1de3 n ASP 59 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1de3 n ASP 59 Cb 0.00 0.24 0.00 0.00 2.34 0.00 0.00 41.12 43.70 1de3 n ASP 59 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1de3 n GLY 60 N -0.66 0.52 3.85 0.27 0.00 -1.25 -4.06 105.19 103.86 1de3 n GLY 60 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 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 3.99 0.06 1.61 -2.85 -1.26 -4.89 119.74 116.40 1de3 s LYS 61 Ca 0.00 0.55 0.05 0.00 -1.00 0.00 0.00 55.97 55.57 1de3 s LYS 61 Cb 0.00 -2.72 -0.04 0.00 -2.06 0.00 0.00 37.83 33.02 1de3 s LYS 61 CO 0.00 0.34 -0.06 -0.51 0.10 0.00 0.00 175.35 175.21 1de3 s LEU 62 N -2.46 3.19 0.00 2.77 1.02 -1.26 -0.90 118.68 121.04 1de3 s LEU 62 Ca 0.46 -0.24 0.00 0.00 0.02 0.00 0.00 54.13 54.36 1de3 s LEU 62 Cb -0.13 -1.92 0.00 0.00 0.02 0.00 0.00 46.19 44.16 1de3 s LEU 62 CO 0.20 0.22 0.00 -0.81 0.02 0.00 0.00 176.35 175.97 1de3 n PRO 63 N 1.00 0.23 -2.72 1.29 -0.04 -1.26 -4.93 135.00 128.57 1de3 n PRO 63 Ca -0.13 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 62.90 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 -1.22 4.25 -0.27 0.54 2.20 -1.26 -4.16 119.74 119.82 1de3 s LYS 64 Ca 0.00 1.26 -0.00 0.00 -0.36 0.00 0.00 55.97 56.87 1de3 s LYS 64 Cb 0.00 -3.64 0.00 0.00 -1.51 0.00 0.00 37.83 32.68 1de3 s LYS 64 CO 0.00 -0.60 0.26 0.41 -0.36 0.00 0.00 175.35 175.07 1de3 n GLY 65 N 3.41 -0.68 3.79 5.54 0.00 -1.26 -5.08 105.19 110.92 1de3 n GLY 65 Ca 0.10 0.08 -0.22 0.00 0.00 0.00 0.00 46.02 45.98 1de3 n GLY 65 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1de3 s ARG 66 N -2.91 2.49 -0.46 1.61 3.03 -1.26 -5.12 118.95 116.34 1de3 s ARG 66 Ca 0.01 -1.50 0.06 0.00 2.03 0.00 0.00 55.73 56.32 1de3 s ARG 66 Cb -0.00 -2.28 0.18 0.00 -1.03 0.00 0.00 34.95 31.82 1de3 s ARG 66 CO 0.29 0.03 0.56 -0.08 -1.13 0.00 0.00 175.30 174.96 1de3 s THR 67 N -2.41 -0.49 -0.30 4.99 -1.32 -1.26 -5.11 115.64 109.73 1de3 s THR 67 Ca 0.41 -1.47 -0.29 0.00 -1.21 0.00 0.00 61.69 59.13 1de3 s THR 67 Cb -0.03 -0.48 -0.01 0.00 -1.51 0.00 0.00 72.50 70.46 1de3 s THR 67 CO 0.25 -0.47 1.59 -2.16 -2.21 0.00 0.00 174.62 171.61 1de3 s PRO 68 N 0.73 3.63 -0.50 7.08 0.04 -1.24 -4.65 135.00 140.09 1de3 s PRO 68 Ca 0.29 1.38 -0.32 0.00 0.04 0.00 0.00 61.00 62.39 1de3 s PRO 68 Cb -0.01 -4.06 -0.12 0.00 0.04 0.00 0.00 34.50 30.35 1de3 s PRO 68 CO -0.10 -1.50 2.34 -0.89 0.04 0.00 0.00 177.00 176.90 1de3 n ILE 69 N 6.83 0.09 -2.86 0.56 5.41 -1.26 -4.88 119.36 123.24 1de3 n ILE 69 Ca 0.19 -0.34 -0.43 0.00 1.00 0.00 0.00 62.75 63.17 1de3 n ILE 69 Cb 0.46 -1.72 -0.04 0.00 -0.71 0.00 0.00 39.64 37.63 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 7.22 3.35 0.15 0.38 2.47 -1.26 -4.89 119.74 127.16 1de3 s LYS 70 Ca 1.12 -0.24 0.03 0.00 -1.56 0.00 0.00 55.97 55.32 1de3 s LYS 70 Cb -0.76 -4.03 -0.06 0.00 -1.46 0.00 0.00 37.83 31.52 1de3 s LYS 70 CO 0.43 -1.41 1.34 0.74 0.16 0.00 0.00 175.35 176.62 1de3 h PHE 71 N 9.24 0.25 0.00 4.03 0.04 -1.95 -3.48 116.94 125.07 1de3 h PHE 71 Ca -0.26 -0.15 0.00 0.00 2.80 0.00 0.00 57.97 60.36 1de3 h PHE 71 Cb 1.08 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 39.20 1de3 h PHE 71 CO 0.89 1.00 0.00 0.41 -0.60 0.00 0.00 178.31 180.01 1de3 n GLY 72 N 1.01 1.36 2.98 -1.45 0.00 -1.26 -5.09 105.19 102.74 1de3 n GLY 72 Ca -0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.27 1.93 0.62 1.61 -0.14 -1.26 -4.99 119.74 117.24 1de3 s LYS 73 Ca 0.00 -0.87 0.25 0.00 -1.36 0.00 0.00 55.97 53.99 1de3 s LYS 73 Cb 0.00 -2.44 1.20 0.00 -1.68 0.00 0.00 37.83 34.91 1de3 s LYS 73 CO 0.00 -0.46 1.65 0.77 -0.76 0.00 0.00 175.35 176.55 1de3 h SER 74 N 7.97 0.00 0.68 2.83 0.02 -1.99 -0.24 113.55 122.82 1de3 h SER 74 Ca -0.25 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.66 1de3 h SER 74 Cb 1.09 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.64 1de3 h SER 74 CO 0.46 0.00 -0.33 0.44 -1.14 0.00 0.00 176.83 176.26 1de3 h ASP 75 N 0.00 -0.77 0.64 3.07 5.19 -1.96 0.23 116.42 122.81 1de3 h ASP 75 Ca 0.21 -0.01 -0.03 0.00 -0.62 0.00 0.00 57.03 56.58 1de3 h ASP 75 Cb 1.58 0.20 -0.00 0.00 0.18 0.00 0.00 39.33 41.29 1de3 h ASP 75 CO -0.00 -0.44 -0.12 0.00 -3.12 0.00 0.00 179.24 175.56 1de3 n ASP 77 N -3.41 0.39 -4.61 0.00 2.03 -0.39 -4.89 116.55 105.67 1de3 n ASP 77 Ca -0.01 -0.37 -0.32 0.00 0.52 0.00 0.00 54.79 54.61 1de3 n ASP 77 Cb 0.30 -0.11 0.14 0.00 -0.72 0.00 0.00 41.12 40.73 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 -1.11 -0.20 -2.13 -0.67 1.85 0.80 -4.91 116.66 110.29 1de3 n ARG 78 Ca 0.12 0.01 -0.43 0.00 -1.00 0.00 0.00 57.85 56.55 1de3 n ARG 78 Cb 0.29 -2.25 -0.02 0.00 -1.05 0.00 0.00 32.46 29.43 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 -4.16 3.67 0.14 2.89 0.04 -1.26 -4.95 135.00 131.38 1de3 s PRO 79 Ca 0.66 1.50 -0.30 0.00 0.04 0.00 0.00 61.00 62.90 1de3 s PRO 79 Cb -0.25 -4.06 -0.07 0.00 0.04 0.00 0.00 34.50 30.16 1de3 s PRO 79 CO 0.58 -1.45 1.08 -1.25 0.04 0.00 0.00 177.00 176.00 1de3 s PRO 80 N 4.91 4.59 -0.89 0.56 0.04 -1.26 -4.86 135.00 138.09 1de3 s PRO 80 Ca 0.71 1.66 -0.04 0.00 0.04 0.00 0.00 61.00 63.37 1de3 s PRO 80 Cb -0.23 -3.31 0.22 0.00 0.04 0.00 0.00 34.50 31.22 1de3 s PRO 80 CO 0.30 0.06 0.80 0.21 0.04 0.00 0.00 177.00 178.41 1de3 s LYS 81 N -0.06 3.37 -0.12 4.56 2.47 -1.26 -2.91 119.74 125.80 1de3 s LYS 81 Ca 0.50 -3.13 -0.28 0.00 -1.56 0.00 0.00 55.97 51.50 1de3 s LYS 81 Cb -0.28 -4.06 -0.01 0.00 -1.46 0.00 0.00 37.83 32.02 1de3 s LYS 81 CO 0.33 -1.25 0.96 -1.58 0.16 0.00 0.00 175.35 173.96 1de3 s HIS 82 N -1.08 3.49 0.00 4.03 5.65 -1.25 -3.89 115.29 122.25 1de3 s HIS 82 Ca 0.26 1.50 0.00 0.00 0.25 0.00 0.00 55.06 57.07 1de3 s HIS 82 Cb -0.10 -3.14 0.00 0.00 -1.18 0.00 0.00 32.58 28.17 1de3 s HIS 82 CO -0.10 -0.22 0.00 0.45 -0.65 0.00 0.00 174.74 174.22 1de3 n SER 83 N 5.03 0.00 -0.05 9.88 2.88 -1.26 -4.78 113.62 125.33 1de3 n SER 83 Ca 0.07 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.48 1de3 n SER 83 Cb 0.49 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.87 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 0.30 0.00 -1.46 6.56 -1.99 -3.37 116.57 116.61 1de3 h LYS 84 Ca 0.00 -0.16 0.00 0.00 -1.06 0.00 0.00 60.65 59.43 1de3 h LYS 84 Cb 0.00 0.01 0.00 0.00 -0.57 0.00 0.00 32.23 31.67 1de3 h LYS 84 CO 0.00 0.71 0.00 -0.25 -2.06 0.00 0.00 179.45 177.85 1de3 n ASP 85 N -4.60 1.23 -1.89 0.86 9.92 -1.26 -5.12 116.55 115.69 1de3 n ASP 85 Ca -0.07 -1.49 0.00 0.00 -0.53 0.00 0.00 54.79 52.70 1de3 n ASP 85 Cb 0.35 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.83 1de3 n ASP 85 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1de3 n GLY 86 N -0.25 -5.11 0.00 0.44 0.00 -1.26 -4.05 105.19 94.97 1de3 n GLY 86 Ca 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.62 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 0.72 0.00 0.00 1.61 6.94 -1.26 -1.06 115.26 122.20 1de3 n ASN 87 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.56 1de3 n ASN 87 Cb 0.00 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.42 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 0.83 1.00 0.24 4.83 0.00 -1.26 -3.39 105.19 107.44 1de3 n GLY 88 Ca 0.00 -0.08 0.21 0.00 0.00 0.00 0.00 46.02 46.15 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 -0.05 -0.52 1.61 3.00 -1.26 -1.69 118.16 119.25 1de3 n LYS 89 Ca 0.00 1.03 -0.00 0.00 -0.00 0.00 0.00 58.31 59.34 1de3 n LYS 89 Cb 0.00 -1.82 -0.00 0.00 0.00 0.00 0.00 35.03 33.21 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 -4.73 0.00 -2.46 3.15 -2.24 -1.26 -5.12 114.28 101.61 1de3 n THR 90 Ca 0.26 -0.02 -0.28 0.00 -2.27 0.00 0.00 64.05 61.74 1de3 n THR 90 Cb 0.88 0.33 0.00 0.00 -2.10 0.00 0.00 70.33 69.44 1de3 n THR 90 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1de3 s ASP 91 N -0.66 6.26 -0.30 3.42 2.15 -0.68 -4.97 116.67 121.89 1de3 s ASP 91 Ca 0.01 1.05 0.10 0.00 0.43 0.00 0.00 52.55 54.13 1de3 s ASP 91 Cb 0.01 -2.30 0.33 0.00 -0.30 0.00 0.00 42.92 40.66 1de3 s ASP 91 CO -0.00 -0.64 1.34 0.00 -0.17 0.00 0.00 175.17 175.70 1de3 n HIS 92 N -2.34 -1.78 -2.65 -5.34 1.44 -1.25 -4.65 115.22 98.64 1de3 n HIS 92 Ca 0.02 -1.47 -0.19 0.00 -2.01 0.00 0.00 57.72 54.07 1de3 n HIS 92 Cb 0.55 1.42 0.09 0.00 0.12 0.00 0.00 29.99 32.17 1de3 n HIS 92 CO 0.00 0.00 0.00 2.48 -2.81 0.00 0.00 176.34 176.01 1de3 n TYR 93 N -1.10 -2.89 -3.10 -1.40 0.18 -1.26 -4.42 117.16 103.17 1de3 n TYR 93 Ca -0.13 -1.55 -0.43 0.00 1.88 0.00 0.00 57.90 57.66 1de3 n TYR 93 Cb 0.81 -0.59 -0.06 0.00 -0.38 0.00 0.00 39.34 39.12 1de3 n TYR 93 CO 0.00 0.00 0.00 -0.51 -2.08 0.00 0.00 176.86 174.27 1de3 s LEU 94 N 0.00 4.78 0.29 -3.48 1.43 -1.26 -3.42 118.68 117.02 1de3 s LEU 94 Ca 0.55 -0.78 -0.05 0.00 -1.03 0.00 0.00 54.13 52.83 1de3 s LEU 94 Cb -0.03 -2.53 -0.05 0.00 0.03 0.00 0.00 46.19 43.60 1de3 s LEU 94 CO 0.36 -0.95 0.55 -1.48 0.23 0.00 0.00 176.35 175.07 1de3 s LEU 95 N 2.88 4.06 0.08 1.79 0.05 -1.01 -1.10 118.68 125.43 1de3 s LEU 95 Ca 0.18 0.71 0.09 0.00 0.05 0.00 0.00 54.13 55.16 1de3 s LEU 95 Cb -0.18 -3.52 -0.03 0.00 -2.05 0.00 0.00 46.19 40.40 1de3 s LEU 95 CO 0.14 -0.20 -0.21 -0.70 -0.55 0.00 0.00 176.35 174.83 1de3 s GLU 96 N -3.57 1.83 -0.01 1.48 2.12 0.12 -3.12 118.70 117.54 1de3 s GLU 96 Ca 0.44 -1.12 0.00 0.00 0.36 0.00 0.00 54.97 54.65 1de3 s GLU 96 Cb -0.11 -2.08 0.01 0.00 0.26 0.00 0.00 34.13 32.21 1de3 s GLU 96 CO 0.30 0.50 -0.01 0.12 -0.54 0.00 0.00 175.26 175.64 1de3 s PHE 97 N -0.98 0.18 -0.88 5.30 5.36 -0.77 -0.92 117.98 125.26 1de3 s PHE 97 Ca 0.15 -0.00 -0.25 0.00 -0.96 0.00 0.00 56.93 55.87 1de3 s PHE 97 Cb -0.10 -0.19 -0.03 0.00 -0.34 0.00 0.00 43.02 42.36 1de3 s PHE 97 CO 0.06 -0.04 1.86 -1.25 -1.46 0.00 0.00 175.22 174.39 1de3 s PRO 98 N 0.35 2.71 0.08 10.12 0.04 -1.26 -0.80 135.00 146.25 1de3 s PRO 98 Ca -0.03 -0.30 -0.27 0.00 0.04 0.00 0.00 61.00 60.44 1de3 s PRO 98 Cb -0.05 -5.01 -0.06 0.00 0.04 0.00 0.00 34.50 29.42 1de3 s PRO 98 CO -0.01 -3.13 0.83 -0.08 0.04 0.00 0.00 177.00 174.66 1de3 s THR 99 N 9.21 4.62 -0.00 1.26 -1.32 -1.16 -4.85 115.64 123.39 1de3 s THR 99 Ca 0.66 1.79 -0.02 0.00 -1.21 0.00 0.00 61.69 62.90 1de3 s THR 99 Cb -0.06 -4.19 -0.04 0.00 -1.51 0.00 0.00 72.50 66.70 1de3 s THR 99 CO 0.01 0.36 0.18 -0.36 -2.21 0.00 0.00 174.62 172.60 1de3 s PHE 100 N -0.15 3.53 0.09 9.09 0.40 -1.26 -4.59 117.98 125.09 1de3 s PHE 100 Ca 0.41 0.34 -0.13 0.00 -0.60 0.00 0.00 56.93 56.95 1de3 s PHE 100 Cb -0.22 -1.82 -0.18 0.00 0.51 0.00 0.00 43.02 41.31 1de3 s PHE 100 CO 0.26 0.64 1.26 -1.00 0.70 0.00 0.00 175.22 177.07 1de3 h PRO 101 N 3.78 0.75 -1.25 0.24 0.13 -1.92 -3.08 132.00 130.65 1de3 h PRO 101 Ca -0.49 -0.69 0.37 0.00 -0.87 0.00 0.00 66.00 64.32 1de3 h PRO 101 Cb 1.18 0.17 -0.09 0.00 0.13 0.00 0.00 31.00 32.39 1de3 h PRO 101 CO 0.69 1.28 0.84 -0.44 -0.23 0.00 0.00 178.00 180.15 1de3 h ASP 102 N 0.48 0.22 0.00 1.44 3.32 -1.96 -3.43 116.42 116.49 1de3 h ASP 102 Ca -0.09 0.07 0.00 0.00 0.02 0.00 0.00 57.03 57.03 1de3 h ASP 102 Cb 1.53 0.04 0.00 0.00 0.22 0.00 0.00 39.33 41.13 1de3 h ASP 102 CO 0.18 -0.03 0.00 0.61 -1.72 0.00 0.00 179.24 178.28 1de3 n GLY 103 N -1.61 0.80 3.91 2.75 0.00 -1.16 -5.07 105.19 104.80 1de3 n GLY 103 Ca 0.31 -0.25 -0.27 0.00 0.00 0.00 0.00 46.02 45.80 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 3.56 -1.08 1.61 -3.43 -1.26 -4.95 115.29 107.73 1de3 s HIS 104 Ca 0.00 0.80 -0.10 0.00 -0.80 0.00 0.00 55.06 54.96 1de3 s HIS 104 Cb 0.00 -2.28 0.27 0.00 -1.43 0.00 0.00 32.58 29.14 1de3 s HIS 104 CO 0.00 -0.24 1.08 0.16 -2.00 0.00 0.00 174.74 173.74 1de3 s ASP 105 N -4.04 7.26 0.10 7.38 -4.77 -1.26 -4.45 116.67 116.89 1de3 s ASP 105 Ca 0.47 -3.49 -0.21 0.00 -3.30 0.00 0.00 52.55 46.03 1de3 s ASP 105 Cb -0.10 -2.21 -0.12 0.00 -1.09 0.00 0.00 42.92 39.40 1de3 s ASP 105 CO 0.44 -0.33 0.43 0.00 0.70 0.00 0.00 175.17 176.41 1de3 n TYR 106 N 2.90 -0.16 -0.77 2.11 9.36 -1.26 -4.72 117.16 124.61 1de3 n TYR 106 Ca 0.23 0.66 -0.42 0.00 3.32 0.00 0.00 57.90 61.70 1de3 n TYR 106 Cb 0.40 -1.33 -0.08 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 0.75 0.74 0.00 2.98 0.00 -1.26 -4.61 118.16 116.76 1de3 n LYS 107 Ca 0.12 -1.37 0.08 0.00 -0.00 0.00 0.00 58.31 57.15 1de3 n LYS 107 Cb 0.14 -2.66 0.38 0.00 -0.00 0.00 0.00 35.03 32.89 1de3 n LYS 107 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.40 179.37 1de3 n PHE 108 N 7.99 0.00 1.06 5.58 1.16 -1.26 -1.45 117.46 130.54 1de3 n PHE 108 Ca 0.46 0.00 0.12 0.00 -1.87 0.00 0.00 57.45 56.16 1de3 n PHE 108 Cb 0.39 -0.40 0.15 0.00 -1.61 0.00 0.00 39.48 38.00 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 -1.40 0.99 -4.40 5.98 5.68 -1.26 -0.58 116.55 121.56 1de3 n ASP 109 Ca 0.06 -0.79 -0.45 0.00 -0.50 0.00 0.00 54.79 53.12 1de3 n ASP 109 Cb 0.16 0.44 -0.04 0.00 -1.14 0.00 0.00 41.12 40.55 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 -2.80 6.38 0.04 -1.12 0.15 -0.53 -3.17 113.70 112.64 1de3 s SER 110 Ca 0.15 -1.70 -0.23 0.00 0.70 0.00 0.00 55.95 54.86 1de3 s SER 110 Cb 0.18 -2.33 -0.13 0.00 -1.71 0.00 0.00 66.02 62.02 1de3 s SER 110 CO 0.68 -1.08 1.33 0.50 1.20 0.00 0.00 173.24 175.87 1de3 h LYS 111 N 8.96 -0.81 -3.92 5.44 3.64 -1.86 -3.17 116.57 124.85 1de3 h LYS 111 Ca -0.12 0.06 -0.46 0.00 -1.27 0.00 0.00 60.65 58.86 1de3 h LYS 111 Cb 1.06 0.18 -0.37 0.00 -0.41 0.00 0.00 32.23 32.69 1de3 h LYS 111 CO 1.07 -0.54 -0.78 -1.59 -2.27 0.00 0.00 179.45 175.34 1de3 s LYS 112 N -4.79 0.93 1.05 1.90 0.00 -1.26 -3.75 119.74 113.81 1de3 s LYS 112 Ca -0.12 -0.04 -0.17 0.00 0.00 0.00 0.00 55.97 55.63 1de3 s LYS 112 Cb 0.01 -1.14 0.23 0.00 0.00 0.00 0.00 37.83 36.94 1de3 s LYS 112 CO 0.37 -0.25 1.27 -1.25 0.00 0.00 0.00 175.35 175.49 1de3 s PRO 113 N 1.72 -0.03 -0.26 1.78 0.04 -1.26 -5.18 135.00 131.81 1de3 s PRO 113 Ca 0.02 -0.36 -0.03 0.00 0.04 0.00 0.00 61.00 60.67 1de3 s PRO 113 Cb -0.13 -1.76 0.15 0.00 0.04 0.00 0.00 34.50 32.80 1de3 s PRO 113 CO -0.05 -2.87 0.48 0.21 0.04 0.00 0.00 177.00 174.81 1de3 s LYS 114 N -5.79 0.44 0.57 4.56 2.20 -1.25 -4.74 119.74 115.74 1de3 s LYS 114 Ca 0.74 0.80 -0.20 0.00 -0.36 0.00 0.00 55.97 56.95 1de3 s LYS 114 Cb -0.05 0.05 -0.04 0.00 -1.51 0.00 0.00 37.83 36.28 1de3 s LYS 114 CO 0.54 -0.58 1.28 -2.00 -0.36 0.00 0.00 175.35 174.23 1de3 s GLU 115 N 2.69 3.07 0.29 4.03 2.12 -1.26 -4.97 118.70 124.67 1de3 s GLU 115 Ca 0.14 2.02 -0.29 0.00 0.36 0.00 0.00 54.97 57.20 1de3 s GLU 115 Cb -0.15 -2.11 -0.13 0.00 0.26 0.00 0.00 34.13 32.00 1de3 s GLU 115 CO -0.18 -1.18 1.19 -1.71 -0.54 0.00 0.00 175.26 172.84 1de3 n ASN 116 N -1.28 2.07 -2.91 -1.70 5.15 -1.26 -4.99 115.26 110.34 1de3 n ASN 116 Ca 0.12 1.18 0.00 0.00 -0.60 0.00 0.00 54.58 55.28 1de3 n ASN 116 Cb 0.47 -1.38 0.00 0.00 -0.53 0.00 0.00 39.78 38.35 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 0.96 -0.10 -4.41 1.20 -0.04 -1.26 -5.10 135.00 126.24 1de3 n PRO 117 Ca 0.09 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.30 1de3 n PRO 117 Cb 0.33 0.00 -0.09 0.00 -0.04 0.00 0.00 33.50 33.70 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 -1.86 1.90 -0.04 0.55 0.00 -1.26 -5.09 107.32 101.52 1de3 s GLY 118 Ca 0.00 -1.86 -0.15 0.00 0.00 0.00 0.00 44.72 42.71 1de3 s GLY 118 CO 0.00 -1.90 0.60 -0.56 0.00 0.00 0.00 173.10 171.24 1de3 h PRO 119 N 2.06 -0.45 -6.38 2.90 0.13 -1.89 -3.45 132.00 124.92 1de3 h PRO 119 Ca -0.42 0.03 -0.54 0.00 -0.87 0.00 0.00 66.00 64.20 1de3 h PRO 119 Cb 1.25 0.10 0.01 0.00 0.13 0.00 0.00 31.00 32.49 1de3 h PRO 119 CO 0.62 -0.27 0.96 0.00 -0.23 0.00 0.00 178.00 179.09 1de3 s ALA 120 N -3.79 3.64 -0.01 -0.56 0.00 -1.26 -3.96 121.76 115.81 1de3 s ALA 120 Ca -0.08 1.03 0.03 0.00 0.00 0.00 0.00 51.96 52.95 1de3 s ALA 120 Cb 0.01 -3.67 -0.01 0.00 0.00 0.00 0.00 23.12 19.45 1de3 s ALA 120 CO 0.24 -1.10 -0.11 1.03 0.00 0.00 0.00 175.76 175.82 1de3 s ARG 121 N 2.87 0.90 0.29 0.00 0.52 0.12 -3.01 118.95 120.64 1de3 s ARG 121 Ca 0.70 -0.38 -0.28 0.00 -0.52 0.00 0.00 55.73 55.26 1de3 s ARG 121 Cb -0.35 -0.87 -0.09 0.00 0.52 0.00 0.00 34.95 34.15 1de3 s ARG 121 CO 0.30 0.22 0.95 0.54 0.02 0.00 0.00 175.30 177.32 1de3 s VAL 122 N -0.18 4.11 -0.04 3.52 0.11 0.02 -0.62 120.40 127.32 1de3 s VAL 122 Ca 0.03 1.91 0.05 0.00 -2.93 0.00 0.00 61.98 61.04 1de3 s VAL 122 Cb -0.05 -4.14 -0.01 0.00 -1.53 0.00 0.00 36.38 30.66 1de3 s VAL 122 CO -0.00 0.30 -0.17 -0.63 -3.33 0.00 0.00 175.10 171.26 1de3 s ILE 123 N -1.41 1.44 -0.29 7.04 -1.09 -0.10 -1.85 121.20 124.94 1de3 s ILE 123 Ca 0.46 -0.74 -0.24 0.00 -2.23 0.00 0.00 60.65 57.90 1de3 s ILE 123 Cb -0.22 -1.23 0.14 0.00 -1.58 0.00 0.00 42.46 39.56 1de3 s ILE 123 CO 0.28 0.41 1.10 -0.72 -1.23 0.00 0.00 174.94 174.79 1de3 s TYR 124 N -0.06 -0.40 0.00 3.97 1.13 -1.18 -1.47 117.35 119.34 1de3 s TYR 124 Ca -0.02 0.97 0.00 0.00 -1.41 0.00 0.00 57.07 56.61 1de3 s TYR 124 Cb -0.11 0.38 0.00 0.00 -1.10 0.00 0.00 41.96 41.13 1de3 s TYR 124 CO 0.02 -0.19 0.00 0.25 -2.51 0.00 0.00 175.55 173.11 1de3 n THR 125 N 2.19 0.00 -3.59 -3.49 -2.24 -1.22 -2.40 114.28 103.53 1de3 n THR 125 Ca -0.12 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.51 1de3 n THR 125 Cb 0.56 -0.92 -0.07 0.00 -2.10 0.00 0.00 70.33 67.80 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 -0.69 -1.78 4.78 5.04 -1.22 -2.27 117.35 120.67 1de3 s TYR 126 Ca 0.00 1.49 0.25 0.00 -2.44 0.00 0.00 57.07 56.37 1de3 s TYR 126 Cb 0.00 0.34 1.43 0.00 0.35 0.00 0.00 41.96 44.08 1de3 s TYR 126 CO 0.00 -0.45 1.87 -0.35 -1.34 0.00 0.00 175.55 175.28 1de3 n PRO 127 N 1.86 0.63 -0.29 4.97 -0.04 -1.26 -4.37 135.00 136.50 1de3 n PRO 127 Ca -0.15 0.02 0.10 0.00 -0.04 0.00 0.00 63.50 63.43 1de3 n PRO 127 Cb 0.56 -1.50 0.24 0.00 -0.04 0.00 0.00 33.50 32.76 1de3 n PRO 127 CO 0.00 0.00 0.00 -0.97 -0.04 0.00 0.00 175.50 174.49 1de3 h ASN 128 N 0.00 -0.14 -3.15 3.54 -0.00 -2.00 -3.45 115.58 110.39 1de3 h ASN 128 Ca 0.00 0.20 -0.35 0.00 -0.00 0.00 0.00 56.30 56.15 1de3 h ASN 128 Cb 0.09 0.30 -0.03 0.00 -0.00 0.00 0.00 38.32 38.68 1de3 h ASN 128 CO 0.00 -0.17 -0.43 0.29 -0.00 0.00 0.00 177.43 177.12 1de3 n LYS 129 N -5.28 -1.86 -1.83 6.67 5.02 -0.96 -4.85 118.16 115.06 1de3 n LYS 129 Ca 0.19 0.86 -0.29 0.00 -2.02 0.00 0.00 58.31 57.04 1de3 n LYS 129 Cb 0.61 -5.46 -0.04 0.00 -0.02 0.00 0.00 35.03 30.11 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 -2.82 3.23 -0.30 -0.18 1.01 -1.26 -4.66 120.40 115.41 1de3 s VAL 130 Ca 0.00 -0.04 -0.33 0.00 0.00 0.00 0.00 61.98 61.61 1de3 s VAL 130 Cb 0.00 -3.55 -0.10 0.00 0.00 0.00 0.00 36.38 32.73 1de3 s VAL 130 CO 0.00 -0.53 2.18 0.33 0.00 0.00 0.00 175.10 177.08 1de3 n PHE 131 N 15.07 1.74 -0.08 5.22 7.35 -1.26 -3.39 117.46 142.10 1de3 n PHE 131 Ca 0.35 0.15 -0.14 0.00 -0.76 0.00 0.00 57.45 57.05 1de3 n PHE 131 Cb 0.49 -2.59 -0.09 0.00 0.35 0.00 0.00 39.48 37.65 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 1.56 0.88 3.09 0.00 0.00 -1.22 -5.06 105.19 104.44 1de3 n GLY 133 Ca -0.18 -0.67 -0.28 0.00 0.00 0.00 0.00 46.02 44.90 1de3 n GLY 133 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1de3 s ILE 134 N -2.12 1.51 -0.07 -0.61 1.09 -1.26 -0.93 121.20 118.81 1de3 s ILE 134 Ca 0.00 -0.68 0.03 0.00 -1.10 0.00 0.00 60.65 58.90 1de3 s ILE 134 Cb 0.00 -1.35 -0.02 0.00 -1.06 0.00 0.00 42.46 40.03 1de3 s ILE 134 CO 0.00 0.44 -0.14 0.27 -0.10 0.00 0.00 174.94 175.41 1de3 s ILE 135 N 0.67 3.02 0.11 2.92 -4.36 0.21 -0.53 121.20 123.25 1de3 s ILE 135 Ca -0.13 -0.72 0.03 0.00 -0.26 0.00 0.00 60.65 59.56 1de3 s ILE 135 Cb -0.16 -2.20 -0.04 0.00 1.25 0.00 0.00 42.46 41.31 1de3 s ILE 135 CO 0.04 0.58 -0.09 0.00 0.24 0.00 0.00 174.94 175.70 1de3 s ALA 136 N -0.47 1.13 -0.21 2.27 0.00 -0.09 0.14 121.76 124.53 1de3 s ALA 136 Ca 0.06 -1.30 -0.21 0.00 0.00 0.00 0.00 51.96 50.51 1de3 s ALA 136 Cb -0.12 0.08 -0.02 0.00 0.00 0.00 0.00 23.12 23.06 1de3 s ALA 136 CO 0.02 -0.12 0.65 -1.01 0.00 0.00 0.00 175.76 175.30 1de3 s HIS 137 N -3.02 3.36 0.00 0.00 3.76 -1.25 0.22 115.29 118.35 1de3 s HIS 137 Ca 0.10 0.94 0.00 0.00 -0.15 0.00 0.00 55.06 55.94 1de3 s HIS 137 Cb 0.01 -2.83 0.00 0.00 1.11 0.00 0.00 32.58 30.87 1de3 s HIS 137 CO -0.02 -0.21 1.70 0.25 -0.85 0.00 0.00 174.74 175.62 1de3 n THR 138 N 4.80 1.70 -2.68 1.30 -2.24 -1.13 -3.97 114.28 112.06 1de3 n THR 138 Ca -0.01 -0.36 -0.03 0.00 -2.27 0.00 0.00 64.05 61.39 1de3 n THR 138 Cb 0.49 -1.35 0.03 0.00 -2.10 0.00 0.00 70.33 67.40 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 0.02 0.18 1.55 -0.78 2.20 -1.26 -4.11 119.74 117.54 1de3 s LYS 139 Ca 0.00 -0.17 0.00 0.00 -0.36 0.00 0.00 55.97 55.44 1de3 s LYS 139 Cb 0.00 -0.01 0.00 0.00 -1.51 0.00 0.00 37.83 36.31 1de3 s LYS 139 CO 0.00 -0.23 0.00 0.39 -0.36 0.00 0.00 175.35 175.15 1de3 n GLU 140 N 2.68 0.00 -2.28 4.03 -0.58 0.22 -1.66 120.64 123.05 1de3 n GLU 140 Ca 0.11 0.00 -0.02 0.00 -0.42 0.00 0.00 57.16 56.82 1de3 n GLU 140 Cb 0.65 0.00 0.07 0.00 -0.57 0.00 0.00 31.44 31.59 1de3 n GLU 140 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 1de3 n ASN 141 N 3.56 -0.71 0.00 1.62 2.85 -1.26 -4.53 115.26 116.78 1de3 n ASN 141 Ca 0.00 -2.13 0.00 0.00 -0.11 0.00 0.00 54.58 52.34 1de3 n ASN 141 Cb 0.00 0.35 0.00 0.00 1.24 0.00 0.00 39.78 41.37 1de3 n ASN 141 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1de3 n GLN 142 N -0.95 0.00 -1.22 1.20 6.02 -0.66 -5.01 117.38 116.75 1de3 n GLN 142 Ca -0.14 0.00 -0.38 0.00 -0.01 0.00 0.00 57.00 56.47 1de3 n GLN 142 Cb 0.85 -0.21 0.03 0.00 1.02 0.00 0.00 30.24 31.92 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 1.33 -2.97 3.67 1.08 0.00 -0.95 -4.70 105.19 102.65 1de3 n GLY 143 Ca 0.00 -0.35 -0.59 0.00 0.00 0.00 0.00 46.02 45.07 1de3 n GLY 143 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1de3 n GLU 144 N 1.04 0.71 -1.54 1.61 4.71 -1.26 -3.81 120.64 122.10 1de3 n GLU 144 Ca 0.07 0.26 -0.30 0.00 -0.01 0.00 0.00 57.16 57.18 1de3 n GLU 144 Cb 0.50 -1.87 -0.06 0.00 -1.01 0.00 0.00 31.44 29.00 1de3 n GLU 144 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 1de3 n LEU 145 N 3.96 1.78 -4.57 -4.62 4.77 -1.26 -2.84 117.00 114.23 1de3 n LEU 145 Ca 0.25 -0.69 -0.41 0.00 -0.03 0.00 0.00 56.01 55.13 1de3 n LEU 145 Cb 0.09 -1.48 -0.07 0.00 -2.33 0.00 0.00 43.42 39.62 1de3 n LEU 145 CO 0.77 -1.75 0.32 -0.75 -1.33 0.00 0.00 177.39 174.65 1de3 s LYS 146 N 8.48 3.69 -0.64 3.23 2.36 0.13 -4.82 119.74 132.17 1de3 s LYS 146 Ca 1.03 0.01 -0.28 0.00 -2.55 0.00 0.00 55.97 54.17 1de3 s LYS 146 Cb -0.31 -3.80 -0.12 0.00 -1.05 0.00 0.00 37.83 32.55 1de3 s LYS 146 CO 0.25 -0.68 2.49 -0.11 1.55 0.00 0.00 175.35 178.86 1de3 n LEU 147 N 5.91 1.70 -4.41 5.43 7.94 -1.26 -0.92 117.00 131.38 1de3 n LEU 147 Ca -0.03 -0.25 -0.37 0.00 -1.11 0.00 0.00 56.01 54.25 1de3 n LEU 147 Cb 0.49 -1.37 0.05 0.00 0.53 0.00 0.00 43.42 43.12 1de3 n LEU 147 CO 0.47 -1.27 -0.11 0.00 -1.11 0.00 0.00 177.39 175.37 1de3 s SER 149 N -1.32 2.05 0.00 0.00 1.04 -1.01 -4.71 113.70 109.76 1de3 s SER 149 Ca 0.64 -0.45 0.14 0.00 0.48 0.00 0.00 55.95 56.76 1de3 s SER 149 Cb -0.38 -0.17 0.11 0.00 0.10 0.00 0.00 66.02 65.69 1de3 s SER 149 CO 0.60 0.12 0.96 0.00 0.98 0.00 0.00 173.24 175.89