#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1de3 n VAL 2 N 0.00 0.34 -2.74 0.00 0.31 -1.26 -4.73 118.33 110.25 1de3 n VAL 2 Ca 0.00 -0.26 -0.42 0.00 -0.01 0.00 0.00 64.34 63.65 1de3 n VAL 2 Cb 0.00 -1.92 -0.03 0.00 -0.91 0.00 0.00 33.84 30.99 1de3 n VAL 2 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 1de3 s THR 3 N 6.50 4.32 -0.51 2.52 2.01 -1.26 -0.48 115.64 128.74 1de3 s THR 3 Ca 1.02 -1.16 -0.27 0.00 0.31 0.00 0.00 61.69 61.59 1de3 s THR 3 Cb -0.69 -4.92 0.03 0.00 0.01 0.00 0.00 72.50 66.93 1de3 s THR 3 CO 0.47 -1.73 1.06 0.26 -0.69 0.00 0.00 174.62 174.00 1de3 s TRP 4 N 3.85 2.79 -0.09 4.92 0.52 0.18 -3.89 118.94 127.23 1de3 s TRP 4 Ca 0.39 0.45 0.00 0.00 0.02 0.00 0.00 56.10 56.97 1de3 s TRP 4 Cb -0.02 -4.28 -0.03 0.00 -1.15 0.00 0.00 33.47 27.99 1de3 s TRP 4 CO -0.10 -1.31 -0.08 0.99 0.02 0.00 0.00 176.95 176.47 1de3 s THR 5 N 4.31 3.58 0.20 2.01 2.01 0.88 0.09 115.64 128.72 1de3 s THR 5 Ca 0.41 -0.51 0.08 0.00 0.31 0.00 0.00 61.69 61.99 1de3 s THR 5 Cb -0.09 -2.48 -0.05 0.00 0.01 0.00 0.00 72.50 69.90 1de3 s THR 5 CO 0.27 0.57 -0.16 0.00 -0.69 0.00 0.00 174.62 174.62 1de3 s LEU 7 N -3.18 4.28 0.17 0.00 1.43 -1.26 0.10 118.68 120.21 1de3 s LEU 7 Ca 0.22 -3.09 -0.05 0.00 -1.03 0.00 0.00 54.13 50.17 1de3 s LEU 7 Cb -0.02 -1.61 -0.06 0.00 0.03 0.00 0.00 46.19 44.53 1de3 s LEU 7 CO 0.08 -0.22 0.41 0.20 0.23 0.00 0.00 176.35 177.05 1de3 s ASN 8 N -0.39 6.50 -0.16 2.29 0.02 -1.17 -4.62 114.94 117.40 1de3 s ASN 8 Ca 0.18 0.62 -0.15 0.00 -1.02 0.00 0.00 52.86 52.49 1de3 s ASN 8 Cb -0.23 -2.10 -0.04 0.00 0.02 0.00 0.00 41.25 38.89 1de3 s ASN 8 CO -0.02 0.01 0.35 -0.62 0.02 0.00 0.00 177.10 176.84 1de3 s ASP 9 N -2.52 6.49 -0.14 -1.22 -1.08 -1.26 -1.99 116.67 114.94 1de3 s ASP 9 Ca 0.42 0.57 0.01 0.00 -0.52 0.00 0.00 52.55 53.03 1de3 s ASP 9 Cb -0.12 -2.21 0.02 0.00 -1.46 0.00 0.00 42.92 39.15 1de3 s ASP 9 CO 0.25 0.05 -0.15 -1.10 0.52 0.00 0.00 175.17 174.74 1de3 s GLN 10 N 0.64 2.33 -0.77 4.34 -0.21 0.74 -0.27 119.66 126.47 1de3 s GLN 10 Ca 0.19 -0.57 -0.21 0.00 0.02 0.00 0.00 55.36 54.78 1de3 s GLN 10 Cb -0.14 -2.11 0.09 0.00 1.00 0.00 0.00 33.01 31.85 1de3 s GLN 10 CO 0.06 -0.21 1.05 0.21 -2.12 0.00 0.00 175.29 174.28 1de3 s LYS 11 N 1.41 3.29 0.18 2.91 2.20 -1.26 -1.02 119.74 127.45 1de3 s LYS 11 Ca 0.03 -1.13 -0.30 0.00 -0.36 0.00 0.00 55.97 54.21 1de3 s LYS 11 Cb -0.13 -4.52 -0.09 0.00 -1.51 0.00 0.00 37.83 31.59 1de3 s LYS 11 CO -0.10 -1.84 1.33 1.21 -0.36 0.00 0.00 175.35 175.60 1de3 s ASN 12 N 3.76 6.87 0.34 1.43 2.47 -0.39 -4.89 114.94 124.53 1de3 s ASN 12 Ca 0.27 2.39 0.16 0.00 0.42 0.00 0.00 52.86 56.10 1de3 s ASN 12 Cb -0.12 -2.60 0.58 0.00 -1.45 0.00 0.00 41.25 37.65 1de3 s ASN 12 CO 0.03 -0.57 1.70 1.55 -3.72 0.00 0.00 177.10 176.09 1de3 h PRO 13 N 5.73 0.00 0.00 0.43 0.13 -1.96 0.12 132.00 136.46 1de3 h PRO 13 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1de3 h PRO 13 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1de3 h PRO 13 CO 0.80 0.45 -0.34 1.17 -0.23 0.00 0.00 178.00 179.85 1de3 n LYS 14 N -3.62 0.02 -0.01 0.86 0.00 -1.26 -3.66 118.16 110.49 1de3 n LYS 14 Ca -0.01 0.01 0.07 0.00 0.00 0.00 0.00 58.31 58.39 1de3 n LYS 14 Cb 0.54 -1.51 -0.11 0.00 0.00 0.00 0.00 35.03 33.95 1de3 n LYS 14 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.40 175.03 1de3 n THR 15 N -1.54 0.00 -2.67 3.15 5.66 -0.96 -4.98 114.28 112.94 1de3 n THR 15 Ca 0.06 -0.31 -0.11 0.00 -3.05 0.00 0.00 64.05 60.64 1de3 n THR 15 Cb 0.34 0.31 -0.01 0.00 -1.55 0.00 0.00 70.33 69.42 1de3 n THR 15 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 1de3 n ASN 16 N -1.90 -2.84 -3.91 1.09 5.15 0.39 -4.87 115.26 108.37 1de3 n ASN 16 Ca -0.02 0.16 -0.10 0.00 -0.60 0.00 0.00 54.58 54.03 1de3 n ASN 16 Cb 0.37 -2.45 -0.06 0.00 -0.53 0.00 0.00 39.78 37.11 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 -5.24 1.25 -0.06 1.20 -0.14 -1.22 -5.01 119.74 110.51 1de3 s LYS 17 Ca 0.09 -1.10 -0.02 0.00 -1.36 0.00 0.00 55.97 53.57 1de3 s LYS 17 Cb -0.05 0.42 -0.04 0.00 -1.68 0.00 0.00 37.83 36.49 1de3 s LYS 17 CO 0.11 -0.48 0.05 0.71 -0.76 0.00 0.00 175.35 174.98 1de3 s TYR 18 N -3.95 3.28 0.02 3.18 2.02 -1.26 -1.26 117.35 119.39 1de3 s TYR 18 Ca 0.16 0.26 0.03 0.00 -0.37 0.00 0.00 57.07 57.14 1de3 s TYR 18 Cb 0.02 -1.80 -0.01 0.00 -0.40 0.00 0.00 41.96 39.77 1de3 s TYR 18 CO 0.00 0.55 -0.08 -1.21 -1.57 0.00 0.00 175.55 173.24 1de3 s GLU 19 N -1.21 0.59 -0.96 -0.62 2.02 -0.19 -4.91 118.70 113.42 1de3 s GLU 19 Ca 0.17 -0.51 -0.08 0.00 0.02 0.00 0.00 54.97 54.57 1de3 s GLU 19 Cb -0.12 -0.51 0.24 0.00 0.10 0.00 0.00 34.13 33.85 1de3 s GLU 19 CO 0.07 0.12 0.91 0.99 0.02 0.00 0.00 175.26 177.37 1de3 s THR 20 N -0.71 5.39 0.99 3.63 2.01 -1.26 -0.19 115.64 125.51 1de3 s THR 20 Ca -0.02 -3.27 -0.14 0.00 0.31 0.00 0.00 61.69 58.58 1de3 s THR 20 Cb -0.06 -4.29 0.18 0.00 0.01 0.00 0.00 72.50 68.35 1de3 s THR 20 CO 0.00 -1.10 1.13 -0.54 -0.69 0.00 0.00 174.62 173.42 1de3 s LYS 21 N -0.86 0.46 -0.45 4.92 -0.14 -0.84 -4.87 119.74 117.96 1de3 s LYS 21 Ca 0.26 0.23 -0.00 0.00 -1.36 0.00 0.00 55.97 55.10 1de3 s LYS 21 Cb -0.10 -1.77 0.12 0.00 -1.68 0.00 0.00 37.83 34.40 1de3 s LYS 21 CO -0.09 -2.65 0.22 1.03 -0.76 0.00 0.00 175.35 173.11 1de3 s ARG 22 N -5.26 1.99 -0.85 1.68 0.52 -1.26 -3.07 118.95 112.71 1de3 s ARG 22 Ca 0.66 -2.08 -0.25 0.00 -0.52 0.00 0.00 55.73 53.54 1de3 s ARG 22 Cb -0.14 -3.49 0.04 0.00 0.52 0.00 0.00 34.95 31.88 1de3 s ARG 22 CO 0.55 -1.07 1.32 -0.51 0.02 0.00 0.00 175.30 175.61 1de3 s LEU 23 N 0.66 3.41 -0.13 2.53 1.02 0.11 -4.88 118.68 121.41 1de3 s LEU 23 Ca 0.12 -0.91 -0.23 0.00 0.02 0.00 0.00 54.13 53.13 1de3 s LEU 23 Cb -0.22 -2.55 -0.03 0.00 0.02 0.00 0.00 46.19 43.41 1de3 s LEU 23 CO -0.04 -1.67 0.71 -0.22 0.02 0.00 0.00 176.35 175.15 1de3 s LEU 24 N 5.27 4.23 0.06 1.79 1.98 -1.26 -0.26 118.68 130.48 1de3 s LEU 24 Ca 0.38 1.08 0.09 0.00 -2.89 0.00 0.00 54.13 52.80 1de3 s LEU 24 Cb -0.05 -3.07 -0.03 0.00 0.66 0.00 0.00 46.19 43.70 1de3 s LEU 24 CO 0.05 -0.24 -0.26 -0.31 -1.89 0.00 0.00 176.35 173.70 1de3 s TYR 25 N 1.47 2.34 -0.36 5.38 1.51 0.11 -4.77 117.35 123.03 1de3 s TYR 25 Ca 0.35 -0.40 -0.17 0.00 -1.01 0.00 0.00 57.07 55.85 1de3 s TYR 25 Cb -0.17 -1.38 -0.00 0.00 -0.11 0.00 0.00 41.96 40.30 1de3 s TYR 25 CO 0.14 0.16 0.43 1.21 -1.11 0.00 0.00 175.55 176.39 1de3 s ASN 26 N -1.36 6.23 0.37 2.29 2.47 -1.26 -0.64 114.94 123.04 1de3 s ASN 26 Ca 0.12 -0.25 0.16 0.00 0.42 0.00 0.00 52.86 53.31 1de3 s ASN 26 Cb -0.10 -2.23 1.08 0.00 -1.45 0.00 0.00 41.25 38.55 1de3 s ASN 26 CO 0.03 -0.44 1.72 -0.61 -3.72 0.00 0.00 177.10 174.07 1de3 h GLN 27 N 8.52 0.38 -0.49 0.43 -0.00 -1.07 0.12 115.11 123.01 1de3 h GLN 27 Ca -0.28 -0.02 0.10 0.00 -0.00 0.00 0.00 58.65 58.44 1de3 h GLN 27 Cb 1.13 -0.09 -0.10 0.00 0.00 0.00 0.00 27.48 28.42 1de3 h GLN 27 CO 0.74 0.25 -0.26 -0.97 0.00 0.00 0.00 178.83 178.60 1de3 h ASN 28 N 0.40 -0.88 0.21 -0.69 -0.73 -1.91 0.70 115.58 112.68 1de3 h ASN 28 Ca 0.67 0.19 -0.02 0.00 1.87 0.00 0.00 56.30 59.00 1de3 h ASN 28 Cb 1.59 0.46 -0.00 0.00 0.27 0.00 0.00 38.32 40.64 1de3 h ASN 28 CO -0.43 -0.27 -0.12 0.11 -0.37 0.00 0.00 177.43 176.35 1de3 h LYS 29 N -0.15 0.00 0.03 6.67 6.56 -1.17 0.16 116.57 128.68 1de3 h LYS 29 Ca 0.22 0.00 -0.00 0.00 -1.06 0.00 0.00 60.65 59.81 1de3 h LYS 29 Cb 0.50 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.16 1de3 h LYS 29 CO -0.58 0.12 -0.02 0.00 -2.06 0.00 0.00 179.45 176.91 1de3 h ALA 30 N 1.88 -0.06 -0.88 3.86 0.00 -0.31 0.28 119.26 124.03 1de3 h ALA 30 Ca -0.00 -0.01 0.26 0.00 0.00 0.00 0.00 54.91 55.16 1de3 h ALA 30 Cb 0.26 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 1de3 h ALA 30 CO 0.02 -0.06 0.64 1.05 0.00 0.00 0.00 179.25 180.90 1de3 h GLU 31 N -0.71 0.00 0.00 0.00 -0.00 0.38 0.13 114.58 114.39 1de3 h GLU 31 Ca -0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 59.36 59.31 1de3 h GLU 31 Cb 0.03 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 28.78 1de3 h GLU 31 CO 0.01 0.00 -0.28 1.03 -0.00 0.00 0.00 179.01 179.77 1de3 h SER 32 N 0.00 0.00 -1.01 3.06 0.87 -0.74 -2.61 113.55 113.13 1de3 h SER 32 Ca 0.42 -0.60 0.23 0.00 -1.23 0.00 0.00 61.79 60.60 1de3 h SER 32 Cb 1.69 0.00 -0.11 0.00 -0.44 0.00 0.00 62.40 63.54 1de3 h SER 32 CO -0.00 0.96 0.61 0.78 -0.53 0.00 0.00 176.83 178.65 1de3 h ASN 33 N -1.00 0.67 -0.24 6.23 2.35 0.85 0.18 115.58 124.61 1de3 h ASN 33 Ca -0.07 0.11 -0.07 0.00 -0.55 0.00 0.00 56.30 55.72 1de3 h ASN 33 Cb 0.79 -0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.15 1de3 h ASN 33 CO -0.04 0.17 -0.14 0.77 -1.65 0.00 0.00 177.43 176.54 1de3 h SER 34 N 0.62 0.54 0.06 5.81 4.64 -0.93 -0.00 113.55 124.28 1de3 h SER 34 Ca 0.60 -0.42 0.00 0.00 -0.47 0.00 0.00 61.79 61.50 1de3 h SER 34 Cb 1.14 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 63.08 1de3 h SER 34 CO -0.39 0.85 0.00 1.41 -0.87 0.00 0.00 176.83 177.82 1de3 n HIS 35 N -4.47 0.00 -0.03 4.77 8.25 0.27 -1.58 115.22 122.43 1de3 n HIS 35 Ca -0.04 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.41 1de3 n HIS 35 Cb 0.36 -0.04 -0.08 0.00 1.12 0.00 0.00 29.99 31.35 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 -1.04 0.00 -2.86 4.41 -0.00 0.36 -5.01 115.22 111.09 1de3 n HIS 36 Ca 0.17 0.00 -0.35 0.00 -0.00 0.00 0.00 57.72 57.53 1de3 n HIS 36 Cb 0.09 -0.40 -0.07 0.00 -0.00 0.00 0.00 29.99 29.62 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 -2.46 3.19 0.36 1.57 0.00 -0.04 -5.05 121.76 119.33 1de3 s ALA 37 Ca -0.05 0.40 -0.26 0.00 0.00 0.00 0.00 51.96 52.05 1de3 s ALA 37 Cb 0.05 -3.09 -0.09 0.00 0.00 0.00 0.00 23.12 19.98 1de3 s ALA 37 CO 0.43 0.19 1.09 -1.25 0.00 0.00 0.00 175.76 176.22 1de3 s PRO 38 N -2.47 4.32 -1.16 0.00 0.04 -1.26 -4.91 135.00 129.55 1de3 s PRO 38 Ca 0.53 1.67 -0.16 0.00 0.04 0.00 0.00 61.00 63.09 1de3 s PRO 38 Cb -0.15 -2.80 0.14 0.00 0.04 0.00 0.00 34.50 31.74 1de3 s PRO 38 CO 0.20 -0.04 1.43 -0.51 0.04 0.00 0.00 177.00 178.11 1de3 s LEU 39 N -2.18 4.78 -0.22 -3.56 1.43 -1.26 -4.33 118.68 113.34 1de3 s LEU 39 Ca 0.53 -2.67 -0.27 0.00 -1.03 0.00 0.00 54.13 50.70 1de3 s LEU 39 Cb -0.27 -2.44 0.09 0.00 0.03 0.00 0.00 46.19 43.60 1de3 s LEU 39 CO 0.34 -0.91 0.84 -0.94 0.23 0.00 0.00 176.35 175.92 1de3 s SER 40 N 3.30 -0.60 0.02 2.29 1.04 -1.26 -4.97 113.70 113.53 1de3 s SER 40 Ca 0.43 1.02 -0.26 0.00 0.48 0.00 0.00 55.95 57.62 1de3 s SER 40 Cb -0.02 0.98 -0.05 0.00 0.10 0.00 0.00 66.02 67.03 1de3 s SER 40 CO -0.01 -0.30 0.79 -0.62 0.98 0.00 0.00 173.24 174.09 1de3 s ASP 41 N -0.13 7.20 -0.84 7.02 2.15 -0.81 -4.11 116.67 127.15 1de3 s ASP 41 Ca -0.01 1.44 -0.16 0.00 0.43 0.00 0.00 52.55 54.25 1de3 s ASP 41 Cb -0.04 -2.48 0.02 0.00 -0.30 0.00 0.00 42.92 40.13 1de3 s ASP 41 CO 0.01 -0.05 0.52 0.61 -0.17 0.00 0.00 175.17 176.09 1de3 n GLY 42 N 2.59 -0.86 1.31 2.66 0.00 -1.18 -4.58 105.19 105.15 1de3 n GLY 42 Ca -0.01 0.37 0.00 0.00 0.00 0.00 0.00 46.02 46.39 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 -3.35 0.00 -4.15 1.61 3.00 -1.26 -5.04 118.16 108.98 1de3 n LYS 43 Ca -0.17 -1.64 -0.11 0.00 -0.00 0.00 0.00 58.31 56.39 1de3 n LYS 43 Cb 0.51 0.16 -0.09 0.00 0.00 0.00 0.00 35.03 35.61 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 0.00 0.02 0.01 3.15 2.01 -1.26 -5.02 115.64 114.54 1de3 s THR 44 Ca 0.22 -1.86 -0.03 0.00 0.31 0.00 0.00 61.69 60.33 1de3 s THR 44 Cb 0.25 -2.36 -0.01 0.00 0.01 0.00 0.00 72.50 70.39 1de3 s THR 44 CO -0.11 -0.07 1.05 1.23 -0.69 0.00 0.00 174.62 176.03 1de3 h GLY 45 N 2.59 -1.40 2.00 4.40 0.00 -1.49 -0.89 103.07 108.26 1de3 h GLY 45 Ca -0.34 0.62 0.00 0.00 0.00 0.00 0.00 47.33 47.61 1de3 h GLY 45 CO 0.51 -0.52 0.00 -1.14 0.00 0.00 0.00 176.54 175.39 1de3 n SER 46 N -2.80 0.17 0.00 0.19 3.41 0.55 -3.88 113.62 111.26 1de3 n SER 46 Ca -0.01 0.57 0.00 0.00 -0.26 0.00 0.00 58.87 59.17 1de3 n SER 46 Cb 0.04 -0.59 0.00 0.00 -0.26 0.00 0.00 64.21 63.39 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 -1.71 -1.79 -4.85 4.04 2.88 -0.34 -5.04 113.62 106.81 1de3 n SER 47 Ca 0.00 0.00 -0.32 0.00 -1.33 0.00 0.00 58.87 57.23 1de3 n SER 47 Cb 0.05 -0.30 -0.05 0.00 -0.75 0.00 0.00 64.21 63.16 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 -2.39 3.39 0.20 0.66 2.02 -1.26 -3.08 117.35 116.89 1de3 s TYR 48 Ca 0.00 0.22 -0.30 0.00 -0.37 0.00 0.00 57.07 56.62 1de3 s TYR 48 Cb 0.00 -1.73 -0.08 0.00 -0.40 0.00 0.00 41.96 39.75 1de3 s TYR 48 CO 0.00 0.58 0.93 -1.25 -1.57 0.00 0.00 175.55 174.24 1de3 s PRO 49 N -2.21 4.80 0.10 -1.71 0.04 -1.26 -4.57 135.00 130.19 1de3 s PRO 49 Ca 0.30 1.46 -0.09 0.00 0.04 0.00 0.00 61.00 62.71 1de3 s PRO 49 Cb -0.13 -3.31 -0.06 0.00 0.04 0.00 0.00 34.50 31.05 1de3 s PRO 49 CO 0.22 0.44 0.40 -3.38 0.04 0.00 0.00 177.00 174.72 1de3 s HIS 50 N -0.84 3.55 0.09 0.56 -3.43 -1.08 -3.48 115.29 110.64 1de3 s HIS 50 Ca 0.42 0.73 -0.31 0.00 -0.80 0.00 0.00 55.06 55.11 1de3 s HIS 50 Cb -0.25 -2.13 -0.10 0.00 -1.43 0.00 0.00 32.58 28.68 1de3 s HIS 50 CO 0.31 0.48 1.85 -0.46 -2.00 0.00 0.00 174.74 174.92 1de3 s TRP 51 N -1.48 1.92 -0.95 0.38 -0.00 -1.26 -1.71 118.94 115.84 1de3 s TRP 51 Ca 0.36 -0.11 -0.15 0.00 -0.00 0.00 0.00 56.10 56.20 1de3 s TRP 51 Cb -0.13 -4.17 0.19 0.00 -0.00 0.00 0.00 33.47 29.36 1de3 s TRP 51 CO 0.20 -4.94 1.03 0.12 -0.00 0.00 0.00 176.95 173.35 1de3 s PHE 52 N 3.25 3.56 0.34 5.86 5.36 0.02 -4.83 117.98 131.54 1de3 s PHE 52 Ca 0.82 -1.88 0.21 0.00 -0.96 0.00 0.00 56.93 55.12 1de3 s PHE 52 Cb -0.44 -4.05 1.21 0.00 -0.34 0.00 0.00 43.02 39.39 1de3 s PHE 52 CO 0.37 -1.22 1.37 0.25 -1.46 0.00 0.00 175.22 174.54 1de3 n THR 53 N 4.45 -0.33 -1.84 0.12 -2.24 -1.26 -4.43 114.28 108.75 1de3 n THR 53 Ca 0.22 1.72 -0.18 0.00 -2.27 0.00 0.00 64.05 63.54 1de3 n THR 53 Cb 0.46 -2.80 -0.05 0.00 -2.10 0.00 0.00 70.33 65.84 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 -4.84 -4.87 0.00 3.42 5.15 -1.26 -0.59 115.26 112.27 1de3 n ASN 54 Ca 0.34 0.30 0.00 0.00 -0.60 0.00 0.00 54.58 54.62 1de3 n ASN 54 Cb 1.19 -4.26 0.00 0.00 -0.53 0.00 0.00 39.78 36.17 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 -0.55 2.85 3.59 8.20 0.00 -1.26 -3.75 105.19 114.27 1de3 n GLY 55 Ca -0.19 -0.49 -0.39 0.00 0.00 0.00 0.00 46.02 44.96 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 0.66 0.38 1.61 4.01 0.24 -4.03 117.16 120.03 1de3 n TYR 56 Ca 0.00 0.46 0.12 0.00 -0.16 0.00 0.00 57.90 58.32 1de3 n TYR 56 Cb 0.00 -2.13 0.25 0.00 -0.31 0.00 0.00 39.34 37.15 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 0.68 0.00 0.00 7.72 3.32 -1.48 -3.44 116.42 123.22 1de3 h ASP 57 Ca -0.47 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.57 1de3 h ASP 57 Cb 1.36 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.91 1de3 h ASP 57 CO 0.51 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.65 1de3 n GLY 58 N 1.19 1.57 1.32 2.75 0.00 -1.26 -5.01 105.19 105.74 1de3 n GLY 58 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1de3 n GLY 58 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1de3 n ASP 59 N 0.00 0.00 0.00 1.61 2.03 -1.20 -3.71 116.55 115.28 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 0.21 0.00 0.00 -0.72 0.00 0.00 41.12 40.61 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 -0.37 0.66 3.76 0.27 0.00 -1.26 -4.48 105.19 103.77 1de3 n GLY 60 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 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 4.34 0.08 1.61 1.02 -1.26 -4.89 119.74 120.64 1de3 s LYS 61 Ca 0.00 0.79 0.01 0.00 0.02 0.00 0.00 55.97 56.79 1de3 s LYS 61 Cb 0.00 -3.34 -0.04 0.00 -0.52 0.00 0.00 37.83 33.93 1de3 s LYS 61 CO 0.00 0.36 0.20 -0.51 -0.92 0.00 0.00 175.35 174.48 1de3 s LEU 62 N -0.20 4.24 0.00 3.17 1.43 -1.26 -1.29 118.68 124.77 1de3 s LEU 62 Ca 0.32 0.19 0.00 0.00 -1.03 0.00 0.00 54.13 53.61 1de3 s LEU 62 Cb -0.19 -2.85 0.00 0.00 0.03 0.00 0.00 46.19 43.19 1de3 s LEU 62 CO 0.18 0.15 0.00 -0.81 0.23 0.00 0.00 176.35 176.10 1de3 n PRO 63 N 0.15 0.31 -2.73 1.29 -0.04 -1.26 -4.94 135.00 127.79 1de3 n PRO 63 Ca -0.06 0.00 -0.43 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 33.95 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 -1.19 4.22 -0.18 0.54 2.36 -1.26 -4.12 119.74 120.12 1de3 s LYS 64 Ca 0.00 1.22 -0.00 0.00 -2.55 0.00 0.00 55.97 54.63 1de3 s LYS 64 Cb 0.00 -3.65 -0.00 0.00 -1.05 0.00 0.00 37.83 33.13 1de3 s LYS 64 CO 0.00 -0.61 0.16 0.41 1.55 0.00 0.00 175.35 176.86 1de3 n GLY 65 N 3.48 -0.47 3.75 5.54 0.00 -1.26 -5.09 105.19 111.15 1de3 n GLY 65 Ca 0.10 -0.05 -0.22 0.00 0.00 0.00 0.00 46.02 45.85 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 -3.02 2.64 -0.47 1.61 3.03 -1.26 -5.10 118.95 116.38 1de3 s ARG 66 Ca 0.01 -1.24 0.06 0.00 2.03 0.00 0.00 55.73 56.58 1de3 s ARG 66 Cb -0.00 -2.38 0.18 0.00 -1.03 0.00 0.00 34.95 31.73 1de3 s ARG 66 CO 0.17 0.34 0.56 -2.37 -1.13 0.00 0.00 175.30 172.88 1de3 n THR 67 N -1.09 -0.54 -2.28 4.99 5.66 -1.26 -5.10 114.28 114.66 1de3 n THR 67 Ca -0.06 -2.14 -0.43 0.00 -3.05 0.00 0.00 64.05 58.37 1de3 n THR 67 Cb 0.59 -0.20 -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 0.46 4.24 -0.28 1.09 0.04 -1.25 -4.79 135.00 134.51 1de3 s PRO 68 Ca 0.31 1.86 -0.33 0.00 0.04 0.00 0.00 61.00 62.89 1de3 s PRO 68 Cb 0.03 -3.78 -0.09 0.00 0.04 0.00 0.00 34.50 30.70 1de3 s PRO 68 CO -0.12 -0.70 2.17 -0.89 0.04 0.00 0.00 177.00 177.49 1de3 n ILE 69 N 5.22 0.28 -2.81 0.56 5.41 -1.26 -4.88 119.36 121.88 1de3 n ILE 69 Ca 0.14 -0.31 -0.43 0.00 1.00 0.00 0.00 62.75 63.15 1de3 n ILE 69 Cb 0.44 -1.97 -0.03 0.00 -0.71 0.00 0.00 39.64 37.37 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 6.05 3.32 0.50 0.38 2.20 -1.26 -4.83 119.74 126.09 1de3 s LYS 70 Ca 1.05 -1.08 0.28 0.00 -0.36 0.00 0.00 55.97 55.85 1de3 s LYS 70 Cb -0.67 -4.56 1.32 0.00 -1.51 0.00 0.00 37.83 32.40 1de3 s LYS 70 CO 0.45 -1.89 2.00 0.74 -0.36 0.00 0.00 175.35 176.29 1de3 h PHE 71 N 9.43 0.00 0.00 4.03 -1.00 -1.94 -3.47 116.94 123.99 1de3 h PHE 71 Ca -0.10 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.68 1de3 h PHE 71 Cb 1.05 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.61 1de3 h PHE 71 CO 1.08 0.14 0.00 0.41 -1.61 0.00 0.00 178.31 178.33 1de3 n GLY 72 N -0.39 0.88 0.14 -1.45 0.00 -1.26 -5.08 105.19 98.02 1de3 n GLY 72 Ca -0.01 -0.56 -0.01 0.00 0.00 0.00 0.00 46.02 45.44 1de3 n GLY 72 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1de3 n LYS 73 N -1.75 1.08 0.01 1.61 4.76 -1.26 -5.08 118.16 117.54 1de3 n LYS 73 Ca 0.00 -0.11 -0.01 0.00 -2.87 0.00 0.00 58.31 55.31 1de3 n LYS 73 Cb 0.15 -0.00 -0.00 0.00 -1.84 0.00 0.00 35.03 33.33 1de3 n LYS 73 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 1de3 n SER 74 N -2.79 0.54 0.09 4.39 7.64 -1.26 -4.24 113.62 117.98 1de3 n SER 74 Ca 0.00 0.07 -0.07 0.00 1.01 0.00 0.00 58.87 59.89 1de3 n SER 74 Cb 0.02 -0.18 0.01 0.00 -1.01 0.00 0.00 64.21 63.06 1de3 n SER 74 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 1de3 h ASP 75 N -0.06 0.20 0.86 6.43 5.19 -1.99 0.37 116.42 127.42 1de3 h ASP 75 Ca -0.03 -0.15 -0.17 0.00 -0.62 0.00 0.00 57.03 56.06 1de3 h ASP 75 Cb 0.65 -0.06 -0.02 0.00 0.18 0.00 0.00 39.33 40.07 1de3 h ASP 75 CO -0.02 0.94 -0.82 0.00 -3.12 0.00 0.00 179.24 176.23 1de3 n ASP 77 N -3.53 1.18 -4.68 0.00 2.03 -1.13 -4.95 116.55 105.47 1de3 n ASP 77 Ca -0.00 -1.13 -0.30 0.00 0.52 0.00 0.00 54.79 53.87 1de3 n ASP 77 Cb 0.79 0.06 0.15 0.00 -0.72 0.00 0.00 41.12 41.41 1de3 n ASP 77 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1de3 s ARG 78 N -2.28 1.15 -0.15 -0.67 0.52 0.11 -4.93 118.95 112.69 1de3 s ARG 78 Ca 0.31 1.20 -0.29 0.00 -0.52 0.00 0.00 55.73 56.42 1de3 s ARG 78 Cb 0.20 -1.77 -0.04 0.00 0.52 0.00 0.00 34.95 33.87 1de3 s ARG 78 CO 0.44 -2.43 1.63 -1.25 0.02 0.00 0.00 175.30 173.70 1de3 s PRO 79 N -4.75 3.96 -0.29 3.54 0.04 -1.26 -4.96 135.00 131.27 1de3 s PRO 79 Ca 0.65 1.89 -0.29 0.00 0.04 0.00 0.00 61.00 63.29 1de3 s PRO 79 Cb -0.20 -4.01 0.00 0.00 0.04 0.00 0.00 34.50 30.33 1de3 s PRO 79 CO 0.58 -1.10 1.29 -1.25 0.04 0.00 0.00 177.00 176.56 1de3 s PRO 80 N 4.38 3.94 -1.21 0.56 0.04 -1.26 -4.86 135.00 136.60 1de3 s PRO 80 Ca 0.72 1.27 -0.14 0.00 0.04 0.00 0.00 61.00 62.88 1de3 s PRO 80 Cb -0.28 -3.86 0.16 0.00 0.04 0.00 0.00 34.50 30.55 1de3 s PRO 80 CO 0.29 -1.08 1.46 0.21 0.04 0.00 0.00 177.00 177.92 1de3 s LYS 81 N 4.10 4.07 0.06 4.56 2.47 -1.25 -3.21 119.74 130.54 1de3 s LYS 81 Ca 0.56 -2.49 -0.27 0.00 -1.56 0.00 0.00 55.97 52.20 1de3 s LYS 81 Cb -0.17 -5.12 -0.05 0.00 -1.46 0.00 0.00 37.83 31.03 1de3 s LYS 81 CO 0.22 -1.83 0.86 -1.58 0.16 0.00 0.00 175.35 173.18 1de3 s HIS 82 N 1.93 3.74 0.00 4.03 5.65 -1.24 -3.48 115.29 125.92 1de3 s HIS 82 Ca 0.44 1.60 0.00 0.00 0.25 0.00 0.00 55.06 57.35 1de3 s HIS 82 Cb -0.02 -2.94 0.00 0.00 -1.18 0.00 0.00 32.58 28.44 1de3 s HIS 82 CO 0.01 0.20 0.00 0.45 -0.65 0.00 0.00 174.74 174.75 1de3 n SER 83 N 2.99 0.00 0.00 9.88 2.88 -1.26 -4.68 113.62 123.43 1de3 n SER 83 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1de3 n SER 83 Cb 0.50 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.96 1de3 n SER 83 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1de3 n LYS 84 N 0.00 0.00 0.08 -1.46 4.76 -1.26 -4.19 118.16 116.09 1de3 n LYS 84 Ca 0.00 0.00 0.04 0.00 -2.87 0.00 0.00 58.31 55.48 1de3 n LYS 84 Cb 0.00 -0.75 0.46 0.00 -1.84 0.00 0.00 35.03 32.90 1de3 n LYS 84 CO 0.00 0.00 0.00 -0.44 -1.37 0.00 0.00 177.40 175.59 1de3 h ASP 85 N 0.00 0.31 0.00 4.39 5.19 -1.98 -3.46 116.42 120.88 1de3 h ASP 85 Ca 0.00 -0.02 0.00 0.00 -0.62 0.00 0.00 57.03 56.39 1de3 h ASP 85 Cb 0.00 -0.08 0.00 0.00 0.18 0.00 0.00 39.33 39.43 1de3 h ASP 85 CO 0.00 0.29 0.00 0.61 -3.12 0.00 0.00 179.24 177.02 1de3 n GLY 86 N -1.32 0.69 1.46 2.75 0.00 -1.26 -4.43 105.19 103.09 1de3 n GLY 86 Ca 0.01 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.65 1de3 n GLY 86 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1de3 n ASN 87 N 0.00 0.00 0.00 1.61 3.02 -1.26 -1.92 115.26 116.70 1de3 n ASN 87 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 1de3 n ASN 87 Cb 0.00 0.24 0.00 0.00 -0.61 0.00 0.00 39.78 39.41 1de3 n ASN 87 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1de3 n GLY 88 N -0.45 1.43 0.11 7.41 0.00 -1.26 -2.88 105.19 109.56 1de3 n GLY 88 Ca 0.00 -0.48 -0.13 0.00 0.00 0.00 0.00 46.02 45.40 1de3 n GLY 88 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1de3 n LYS 89 N 5.78 0.72 -3.01 1.61 -0.00 -1.26 -4.77 118.16 117.24 1de3 n LYS 89 Ca 0.00 0.07 -0.14 0.00 -0.00 0.00 0.00 58.31 58.23 1de3 n LYS 89 Cb 0.00 -1.50 0.01 0.00 -0.00 0.00 0.00 35.03 33.54 1de3 n LYS 89 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.40 175.03 1de3 n THR 90 N -2.98 -0.04 -2.56 0.58 5.66 -1.26 -5.13 114.28 108.55 1de3 n THR 90 Ca -0.38 -3.50 -0.34 0.00 -3.05 0.00 0.00 64.05 56.78 1de3 n THR 90 Cb 1.05 0.35 -0.04 0.00 -1.55 0.00 0.00 70.33 70.14 1de3 n THR 90 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 1de3 s ASP 91 N -2.10 6.42 -0.35 1.09 1.11 -1.14 -4.99 116.67 116.71 1de3 s ASP 91 Ca 0.33 1.93 0.15 0.00 0.18 0.00 0.00 52.55 55.14 1de3 s ASP 91 Cb 0.34 -2.56 0.43 0.00 1.07 0.00 0.00 42.92 42.20 1de3 s ASP 91 CO -0.06 -0.72 0.93 0.00 1.18 0.00 0.00 175.17 176.49 1de3 n HIS 92 N -0.84 1.34 -2.43 4.23 1.44 -1.23 -4.22 115.22 113.51 1de3 n HIS 92 Ca 0.09 -3.07 -0.24 0.00 -2.01 0.00 0.00 57.72 52.49 1de3 n HIS 92 Cb 0.52 -0.36 0.09 0.00 0.12 0.00 0.00 29.99 30.37 1de3 n HIS 92 CO 0.00 0.00 0.00 1.52 -2.81 0.00 0.00 176.34 175.05 1de3 s TYR 93 N -3.05 2.20 -0.34 -1.40 -0.85 -1.26 -3.79 117.35 108.86 1de3 s TYR 93 Ca 0.33 0.02 -0.14 0.00 -0.52 0.00 0.00 57.07 56.76 1de3 s TYR 93 Cb 0.43 -3.11 -0.01 0.00 0.38 0.00 0.00 41.96 39.64 1de3 s TYR 93 CO -0.02 -1.55 0.31 -0.51 -1.52 0.00 0.00 175.55 172.26 1de3 s LEU 94 N -5.17 4.47 0.13 -3.49 1.43 -1.26 -3.26 118.68 111.53 1de3 s LEU 94 Ca 0.64 -0.31 0.04 0.00 -1.03 0.00 0.00 54.13 53.47 1de3 s LEU 94 Cb -0.08 -2.26 -0.04 0.00 0.03 0.00 0.00 46.19 43.85 1de3 s LEU 94 CO 0.44 -0.29 0.14 -1.48 0.23 0.00 0.00 176.35 175.38 1de3 s LEU 95 N 1.90 3.89 -0.05 1.79 0.05 -1.12 -0.80 118.68 124.34 1de3 s LEU 95 Ca 0.09 -0.04 0.05 0.00 0.05 0.00 0.00 54.13 54.28 1de3 s LEU 95 Cb -0.17 -2.51 -0.01 0.00 -2.05 0.00 0.00 46.19 41.45 1de3 s LEU 95 CO 0.11 0.10 -0.20 -1.83 -0.55 0.00 0.00 176.35 173.98 1de3 s GLU 96 N -2.87 2.12 -0.03 1.48 -1.05 -0.70 -3.03 118.70 114.63 1de3 s GLU 96 Ca 0.31 -0.73 0.03 0.00 -0.15 0.00 0.00 54.97 54.43 1de3 s GLU 96 Cb -0.11 -1.81 -0.03 0.00 -0.44 0.00 0.00 34.13 31.74 1de3 s GLU 96 CO 0.24 0.29 -0.09 0.12 0.95 0.00 0.00 175.26 176.77 1de3 s PHE 97 N -0.02 2.84 -1.22 4.83 2.19 -0.47 -2.65 117.98 123.48 1de3 s PHE 97 Ca -0.04 -0.06 -0.21 0.00 0.33 0.00 0.00 56.93 56.95 1de3 s PHE 97 Cb -0.13 -1.64 -0.03 0.00 -1.31 0.00 0.00 43.02 39.91 1de3 s PHE 97 CO 0.03 0.31 1.86 -1.25 1.83 0.00 0.00 175.22 178.00 1de3 s PRO 98 N -1.02 3.00 0.33 10.12 0.04 -1.26 -0.88 135.00 145.32 1de3 s PRO 98 Ca 0.14 -1.44 -0.28 0.00 0.04 0.00 0.00 61.00 59.47 1de3 s PRO 98 Cb -0.11 -5.34 -0.09 0.00 0.04 0.00 0.00 34.50 29.00 1de3 s PRO 98 CO 0.03 -3.39 1.16 -0.08 0.04 0.00 0.00 177.00 174.77 1de3 s THR 99 N 8.69 3.24 0.01 1.26 -1.32 -1.06 -4.77 115.64 121.70 1de3 s THR 99 Ca 0.63 1.17 0.03 0.00 -1.21 0.00 0.00 61.69 62.32 1de3 s THR 99 Cb 0.01 -3.72 -0.03 0.00 -1.51 0.00 0.00 72.50 67.25 1de3 s THR 99 CO 0.11 0.22 -0.05 -0.36 -2.21 0.00 0.00 174.62 172.33 1de3 s PHE 100 N -1.26 2.93 0.05 9.09 0.40 -1.26 -4.59 117.98 123.34 1de3 s PHE 100 Ca 0.50 -0.02 -0.16 0.00 -0.60 0.00 0.00 56.93 56.65 1de3 s PHE 100 Cb -0.33 -1.61 -0.24 0.00 0.51 0.00 0.00 43.02 41.35 1de3 s PHE 100 CO 0.42 0.40 1.14 -1.00 0.70 0.00 0.00 175.22 176.89 1de3 h PRO 101 N 4.36 0.59 -1.19 0.24 0.13 -1.92 -3.14 132.00 131.08 1de3 h PRO 101 Ca -0.48 -0.66 0.34 0.00 -0.87 0.00 0.00 66.00 64.33 1de3 h PRO 101 Cb 1.17 0.19 -0.06 0.00 0.13 0.00 0.00 31.00 32.43 1de3 h PRO 101 CO 0.55 1.26 0.83 0.22 -0.23 0.00 0.00 178.00 180.63 1de3 h ASP 102 N 0.20 0.12 0.00 1.44 3.58 -1.97 -3.44 116.42 116.36 1de3 h ASP 102 Ca -0.12 0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.36 1de3 h ASP 102 Cb 1.59 0.01 0.00 0.00 1.72 0.00 0.00 39.33 42.65 1de3 h ASP 102 CO 0.18 0.01 0.00 0.61 -2.88 0.00 0.00 179.24 177.16 1de3 n GLY 103 N -1.69 0.74 3.68 -0.78 0.00 -1.19 -5.04 105.19 100.91 1de3 n GLY 103 Ca 0.27 -0.24 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 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 3.45 -1.10 1.61 -3.43 -1.26 -4.95 115.29 107.61 1de3 s HIS 104 Ca 0.00 1.19 -0.24 0.00 -0.80 0.00 0.00 55.06 55.21 1de3 s HIS 104 Cb 0.00 -2.92 -0.16 0.00 -1.43 0.00 0.00 32.58 28.07 1de3 s HIS 104 CO 0.00 -0.14 1.99 -0.40 -2.00 0.00 0.00 174.74 174.19 1de3 n ASP 105 N 4.82 2.35 -3.03 7.38 5.68 -1.26 -4.57 116.55 127.93 1de3 n ASP 105 Ca 0.02 -2.62 -0.37 0.00 -0.50 0.00 0.00 54.79 51.33 1de3 n ASP 105 Cb 0.50 -1.68 -0.04 0.00 -1.14 0.00 0.00 41.12 38.76 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 16.05 0.06 -0.73 2.11 9.36 -1.26 -4.67 117.16 138.07 1de3 n TYR 106 Ca 0.44 0.69 -0.42 0.00 3.32 0.00 0.00 57.90 61.93 1de3 n TYR 106 Cb 0.46 -1.38 -0.09 0.00 -0.63 0.00 0.00 39.34 37.71 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 0.86 0.64 0.05 2.98 2.85 -1.26 -4.61 118.16 119.68 1de3 n LYS 107 Ca 0.13 -1.32 0.08 0.00 -1.05 0.00 0.00 58.31 56.16 1de3 n LYS 107 Cb 0.11 -2.64 0.36 0.00 -0.65 0.00 0.00 35.03 32.21 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 8.08 0.32 1.04 5.58 1.16 -1.26 -1.44 117.46 130.94 1de3 n PHE 108 Ca 0.46 0.13 0.11 0.00 -1.87 0.00 0.00 57.45 56.28 1de3 n PHE 108 Cb 0.39 -0.71 0.10 0.00 -1.61 0.00 0.00 39.48 37.65 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 -1.79 1.00 -4.44 5.98 5.75 -1.26 -0.33 116.55 121.47 1de3 n ASP 109 Ca 0.02 -0.82 -0.44 0.00 -0.01 0.00 0.00 54.79 53.55 1de3 n ASP 109 Cb 0.17 0.53 -0.03 0.00 -1.03 0.00 0.00 41.12 40.75 1de3 n ASP 109 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 1de3 s SER 110 N -2.84 6.39 0.03 -1.12 0.15 -0.52 -3.22 113.70 112.57 1de3 s SER 110 Ca 0.13 -1.56 -0.18 0.00 0.70 0.00 0.00 55.95 55.04 1de3 s SER 110 Cb 0.17 -2.39 -0.10 0.00 -1.71 0.00 0.00 66.02 62.00 1de3 s SER 110 CO 0.71 -1.21 1.27 0.50 1.20 0.00 0.00 173.24 175.71 1de3 h LYS 111 N 9.15 -0.62 -3.91 5.44 3.64 -1.86 -3.15 116.57 125.26 1de3 h LYS 111 Ca -0.08 0.04 -0.46 0.00 -1.27 0.00 0.00 60.65 58.88 1de3 h LYS 111 Cb 1.05 0.14 -0.37 0.00 -0.41 0.00 0.00 32.23 32.64 1de3 h LYS 111 CO 1.13 -0.41 -0.78 -1.59 -2.27 0.00 0.00 179.45 175.53 1de3 s LYS 112 N -4.41 0.92 1.01 1.90 -2.85 -1.26 -3.77 119.74 111.27 1de3 s LYS 112 Ca -0.09 -0.03 -0.17 0.00 -1.00 0.00 0.00 55.97 54.67 1de3 s LYS 112 Cb 0.01 -1.13 0.24 0.00 -2.06 0.00 0.00 37.83 34.88 1de3 s LYS 112 CO 0.28 -0.26 1.24 -0.35 0.10 0.00 0.00 175.35 176.37 1de3 n PRO 113 N 4.91 -1.69 -3.16 1.78 -0.04 -1.26 -5.18 135.00 130.36 1de3 n PRO 113 Ca -0.11 -1.93 0.03 0.00 -0.04 0.00 0.00 63.50 61.46 1de3 n PRO 113 Cb 0.50 -1.39 -0.01 0.00 -0.04 0.00 0.00 33.50 32.56 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 -5.72 0.56 0.40 0.54 2.20 -1.25 -4.75 119.74 111.72 1de3 s LYS 114 Ca 0.72 0.99 -0.26 0.00 -0.36 0.00 0.00 55.97 57.06 1de3 s LYS 114 Cb -0.03 0.51 -0.09 0.00 -1.51 0.00 0.00 37.83 36.71 1de3 s LYS 114 CO 0.52 -0.62 1.32 -2.00 -0.36 0.00 0.00 175.35 174.20 1de3 s GLU 115 N 2.84 3.97 0.17 4.03 2.12 -1.26 -4.94 118.70 125.63 1de3 s GLU 115 Ca 0.21 2.18 -0.32 0.00 0.36 0.00 0.00 54.97 57.40 1de3 s GLU 115 Cb -0.15 -2.77 -0.17 0.00 0.26 0.00 0.00 34.13 31.31 1de3 s GLU 115 CO -0.21 -0.50 0.95 -1.71 -0.54 0.00 0.00 175.26 173.25 1de3 n ASN 116 N 0.14 0.40 -3.82 -1.70 5.15 -1.26 -4.95 115.26 109.22 1de3 n ASN 116 Ca 0.04 1.15 -0.30 0.00 -0.60 0.00 0.00 54.58 54.86 1de3 n ASN 116 Cb 0.43 -1.10 0.24 0.00 -0.53 0.00 0.00 39.78 38.82 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 -0.63 -1.34 0.34 1.20 0.04 -1.26 -5.07 135.00 128.27 1de3 s PRO 117 Ca 0.72 -0.01 0.02 0.00 0.04 0.00 0.00 61.00 61.76 1de3 s PRO 117 Cb -0.93 -1.58 -0.03 0.00 0.04 0.00 0.00 34.50 32.01 1de3 s PRO 117 CO 0.55 -3.80 0.52 0.20 0.04 0.00 0.00 177.00 174.51 1de3 s GLY 118 N -3.78 1.35 -0.07 0.56 0.00 -1.26 -5.07 107.32 99.06 1de3 s GLY 118 Ca 0.70 -1.01 -0.16 0.00 0.00 0.00 0.00 44.72 44.26 1de3 s GLY 118 CO 0.56 -0.95 0.60 -0.56 0.00 0.00 0.00 173.10 172.75 1de3 h PRO 119 N 0.80 -0.21 -6.57 2.90 0.13 -1.87 -3.45 132.00 123.73 1de3 h PRO 119 Ca -0.50 0.01 -0.53 0.00 -0.87 0.00 0.00 66.00 64.12 1de3 h PRO 119 Cb 1.23 0.05 0.03 0.00 0.13 0.00 0.00 31.00 32.44 1de3 h PRO 119 CO 0.60 0.12 0.83 0.00 -0.23 0.00 0.00 178.00 179.33 1de3 s ALA 120 N -3.31 3.71 -0.04 -0.56 0.00 -1.26 -3.92 121.76 116.38 1de3 s ALA 120 Ca -0.09 1.27 0.02 0.00 0.00 0.00 0.00 51.96 53.16 1de3 s ALA 120 Cb 0.00 -3.60 0.01 0.00 0.00 0.00 0.00 23.12 19.53 1de3 s ALA 120 CO 0.33 -0.74 -0.09 1.03 0.00 0.00 0.00 175.76 176.29 1de3 s ARG 121 N 1.23 1.14 0.05 0.00 0.52 0.17 -2.55 118.95 119.51 1de3 s ARG 121 Ca 0.68 -0.29 -0.30 0.00 -0.52 0.00 0.00 55.73 55.31 1de3 s ARG 121 Cb -0.41 -1.03 -0.04 0.00 0.52 0.00 0.00 34.95 33.99 1de3 s ARG 121 CO 0.31 0.04 0.97 0.54 0.02 0.00 0.00 175.30 177.18 1de3 s VAL 122 N 0.50 4.71 -0.04 3.52 0.11 -0.06 -0.48 120.40 128.66 1de3 s VAL 122 Ca -0.09 2.06 0.06 0.00 -2.93 0.00 0.00 61.98 61.09 1de3 s VAL 122 Cb -0.12 -4.32 -0.02 0.00 -1.53 0.00 0.00 36.38 30.39 1de3 s VAL 122 CO 0.01 0.23 -0.22 -0.63 -3.33 0.00 0.00 175.10 171.16 1de3 s ILE 123 N 0.58 2.39 -0.28 7.04 -1.09 -0.29 -1.37 121.20 128.17 1de3 s ILE 123 Ca 0.50 -0.97 -0.25 0.00 -2.23 0.00 0.00 60.65 57.70 1de3 s ILE 123 Cb -0.22 -1.88 0.15 0.00 -1.58 0.00 0.00 42.46 38.93 1de3 s ILE 123 CO 0.29 0.58 1.18 -0.72 -1.23 0.00 0.00 174.94 175.04 1de3 s TYR 124 N -0.53 -0.31 0.00 3.97 1.13 -1.17 -1.44 117.35 119.00 1de3 s TYR 124 Ca 0.07 0.75 0.00 0.00 -1.41 0.00 0.00 57.07 56.48 1de3 s TYR 124 Cb -0.11 0.41 0.00 0.00 -1.10 0.00 0.00 41.96 41.16 1de3 s TYR 124 CO 0.01 -0.16 0.00 0.25 -2.51 0.00 0.00 175.55 173.14 1de3 n THR 125 N 1.89 0.00 -3.63 -3.49 -2.24 -1.24 -2.78 114.28 102.79 1de3 n THR 125 Ca -0.11 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.56 1de3 n THR 125 Cb 0.56 -0.02 -0.07 0.00 -2.10 0.00 0.00 70.33 68.71 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 -0.71 -0.53 -1.86 4.78 5.04 -1.20 -2.09 117.35 120.77 1de3 s TYR 126 Ca 0.00 1.27 0.25 0.00 -2.44 0.00 0.00 57.07 56.15 1de3 s TYR 126 Cb 0.00 0.35 1.45 0.00 0.35 0.00 0.00 41.96 44.11 1de3 s TYR 126 CO 0.00 -0.27 1.86 -0.35 -1.34 0.00 0.00 175.55 175.45 1de3 n PRO 127 N 2.21 0.69 -0.28 4.97 -0.04 -1.26 -4.19 135.00 137.09 1de3 n PRO 127 Ca -0.13 0.01 0.07 0.00 -0.04 0.00 0.00 63.50 63.42 1de3 n PRO 127 Cb 0.56 -1.50 0.18 0.00 -0.04 0.00 0.00 33.50 32.70 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 -0.41 -3.70 3.54 2.35 -1.96 -3.45 115.58 111.96 1de3 h ASN 128 Ca 0.00 0.22 -0.36 0.00 -0.55 0.00 0.00 56.30 55.60 1de3 h ASN 128 Cb 0.05 0.39 -0.01 0.00 0.05 0.00 0.00 38.32 38.80 1de3 h ASN 128 CO 0.00 -0.22 -0.49 0.29 -1.65 0.00 0.00 177.43 175.36 1de3 n LYS 129 N -5.39 -2.56 -1.93 0.81 5.02 -0.89 -4.86 118.16 108.36 1de3 n LYS 129 Ca 0.15 0.83 -0.26 0.00 -2.02 0.00 0.00 58.31 57.01 1de3 n LYS 129 Cb 0.53 -5.52 -0.05 0.00 -0.02 0.00 0.00 35.03 29.96 1de3 n LYS 129 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1de3 s VAL 130 N -2.93 3.33 -0.49 -0.18 1.01 -1.26 -4.69 120.40 115.19 1de3 s VAL 130 Ca 0.08 -0.20 -0.46 0.00 0.00 0.00 0.00 61.98 61.41 1de3 s VAL 130 Cb -0.04 -3.76 -0.19 0.00 0.00 0.00 0.00 36.38 32.38 1de3 s VAL 130 CO 0.10 -0.72 1.75 0.33 0.00 0.00 0.00 175.10 176.56 1de3 n PHE 131 N 14.79 1.61 -0.12 5.22 7.35 -1.26 -3.59 117.46 141.46 1de3 n PHE 131 Ca 0.38 1.02 -0.24 0.00 -0.76 0.00 0.00 57.45 57.85 1de3 n PHE 131 Cb 0.47 -2.26 -0.11 0.00 0.35 0.00 0.00 39.48 37.93 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 1.72 -0.55 2.93 0.00 0.00 -1.13 -5.05 105.19 103.10 1de3 n GLY 133 Ca -0.48 -0.76 -0.18 0.00 0.00 0.00 0.00 46.02 44.60 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 -3.16 0.49 -0.02 -0.61 1.09 -1.26 -1.14 121.20 116.59 1de3 s ILE 134 Ca 0.00 -0.18 0.06 0.00 -1.10 0.00 0.00 60.65 59.43 1de3 s ILE 134 Cb 0.00 -0.47 -0.01 0.00 -1.06 0.00 0.00 42.46 40.92 1de3 s ILE 134 CO 0.00 0.18 -0.20 0.27 -0.10 0.00 0.00 174.94 175.09 1de3 s ILE 135 N 0.39 1.59 0.05 2.92 -4.36 0.37 -0.14 121.20 122.02 1de3 s ILE 135 Ca -0.05 -0.84 0.04 0.00 -0.26 0.00 0.00 60.65 59.54 1de3 s ILE 135 Cb -0.09 -1.33 -0.02 0.00 1.25 0.00 0.00 42.46 42.27 1de3 s ILE 135 CO -0.00 0.45 -0.12 0.00 0.24 0.00 0.00 174.94 175.51 1de3 s ALA 136 N -0.34 0.94 -0.11 2.27 0.00 -0.81 0.46 121.76 124.17 1de3 s ALA 136 Ca 0.05 -0.85 -0.30 0.00 0.00 0.00 0.00 51.96 50.86 1de3 s ALA 136 Cb -0.09 -0.07 -0.03 0.00 0.00 0.00 0.00 23.12 22.93 1de3 s ALA 136 CO 0.00 0.11 1.34 -1.01 0.00 0.00 0.00 175.76 176.21 1de3 s HIS 137 N -1.17 2.73 0.00 0.00 3.76 -1.25 -0.89 115.29 118.46 1de3 s HIS 137 Ca -0.04 0.86 -0.05 0.00 -0.15 0.00 0.00 55.06 55.68 1de3 s HIS 137 Cb -0.09 -3.59 -0.24 0.00 1.11 0.00 0.00 32.58 29.77 1de3 s HIS 137 CO 0.01 -2.14 3.43 0.25 -0.85 0.00 0.00 174.74 175.44 1de3 n THR 138 N 5.20 2.86 0.00 1.30 -2.24 -1.23 -3.79 114.28 116.38 1de3 n THR 138 Ca 0.14 -1.39 0.00 0.00 -2.27 0.00 0.00 64.05 60.53 1de3 n THR 138 Cb 0.44 -1.95 0.00 0.00 -2.10 0.00 0.00 70.33 66.73 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 2.43 0.00 0.00 -0.78 4.81 -1.21 -4.47 118.16 118.94 1de3 n LYS 139 Ca 0.39 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.83 1de3 n LYS 139 Cb 0.87 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.92 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 -1.64 1.64 -0.58 0.63 -0.66 120.64 120.04 1de3 n GLU 140 Ca 0.00 0.00 -0.02 0.00 -0.42 0.00 0.00 57.16 56.72 1de3 n GLU 140 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 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 2.69 -0.27 -3.83 1.62 5.15 -1.26 -4.56 115.26 114.80 1de3 n ASN 141 Ca 0.00 -2.04 -0.09 0.00 -0.60 0.00 0.00 54.58 51.84 1de3 n ASN 141 Cb 0.00 0.12 -0.06 0.00 -0.53 0.00 0.00 39.78 39.31 1de3 n ASN 141 CO 0.00 0.00 0.00 -1.58 1.40 0.00 0.00 177.26 177.08 1de3 s GLN 142 N -0.39 1.01 0.00 1.20 0.74 0.17 -4.97 119.66 117.42 1de3 s GLN 142 Ca 0.14 -0.96 0.00 0.00 0.05 0.00 0.00 55.36 54.59 1de3 s GLN 142 Cb 0.22 0.39 0.00 0.00 1.10 0.00 0.00 33.01 34.72 1de3 s GLN 142 CO -0.07 -0.36 0.00 0.41 -0.55 0.00 0.00 175.29 174.72 1de3 n GLY 143 N -0.15 -0.26 3.69 2.59 0.00 -1.26 -3.29 105.19 106.50 1de3 n GLY 143 Ca -0.13 -1.75 -0.59 0.00 0.00 0.00 0.00 46.02 43.55 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 -0.18 0.80 -2.27 1.61 1.02 -1.26 -4.55 120.64 115.80 1de3 n GLU 144 Ca 0.00 0.29 -0.43 0.00 -0.02 0.00 0.00 57.16 57.00 1de3 n GLU 144 Cb 0.00 -1.91 -0.02 0.00 -0.02 0.00 0.00 31.44 29.49 1de3 n GLU 144 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1de3 s LEU 145 N 2.70 3.98 -0.21 -4.62 1.02 -1.26 -3.48 118.68 116.81 1de3 s LEU 145 Ca 0.97 1.55 -0.19 0.00 0.02 0.00 0.00 54.13 56.49 1de3 s LEU 145 Cb -1.17 -3.54 -0.03 0.00 0.02 0.00 0.00 46.19 41.47 1de3 s LEU 145 CO 0.66 -1.07 0.54 -0.54 0.02 0.00 0.00 176.35 175.96 1de3 s LYS 146 N 4.22 4.17 -0.36 1.70 1.02 -0.07 -4.82 119.74 125.59 1de3 s LYS 146 Ca 0.63 0.43 -0.29 0.00 0.02 0.00 0.00 55.97 56.76 1de3 s LYS 146 Cb -0.22 -3.58 -0.08 0.00 -0.52 0.00 0.00 37.83 33.43 1de3 s LYS 146 CO 0.24 -0.20 2.29 -0.11 -0.92 0.00 0.00 175.35 176.65 1de3 n LEU 147 N 4.98 2.60 -4.29 3.17 7.94 -1.26 -1.92 117.00 128.22 1de3 n LEU 147 Ca -0.04 0.05 -0.32 0.00 -1.11 0.00 0.00 56.01 54.58 1de3 n LEU 147 Cb 0.50 -1.47 0.17 0.00 0.53 0.00 0.00 43.42 43.15 1de3 n LEU 147 CO 0.42 -0.95 -0.51 0.00 -1.11 0.00 0.00 177.39 175.24 1de3 s SER 149 N -1.85 0.48 0.00 0.00 1.04 -0.67 -4.78 113.70 107.93 1de3 s SER 149 Ca 0.56 -0.56 0.02 0.00 0.48 0.00 0.00 55.95 56.45 1de3 s SER 149 Cb -0.13 0.08 0.01 0.00 0.10 0.00 0.00 66.02 66.09 1de3 s SER 149 CO 0.66 -0.29 0.55 0.00 0.98 0.00 0.00 173.24 175.15