#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 -4.17 -3.85 0.00 0.31 -1.26 -3.08 118.33 106.29 1de3 n VAL 2 Ca 0.00 1.88 -0.35 0.00 -0.01 0.00 0.00 64.34 65.87 1de3 n VAL 2 Cb 0.00 -2.70 -0.12 0.00 -0.91 0.00 0.00 33.84 30.10 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 -3.85 3.01 -0.87 2.52 2.01 -1.26 -2.60 115.64 114.59 1de3 s THR 3 Ca 0.00 -2.25 -0.25 0.00 0.31 0.00 0.00 61.69 59.51 1de3 s THR 3 Cb 0.00 -3.10 0.02 0.00 0.01 0.00 0.00 72.50 69.44 1de3 s THR 3 CO 0.00 -0.68 1.50 0.26 -0.69 0.00 0.00 174.62 175.00 1de3 s TRP 4 N 0.94 2.27 0.07 4.92 0.52 -0.79 -3.96 118.94 122.91 1de3 s TRP 4 Ca 0.10 -0.23 -0.28 0.00 0.02 0.00 0.00 56.10 55.71 1de3 s TRP 4 Cb -0.22 -4.53 -0.05 0.00 -1.15 0.00 0.00 33.47 27.52 1de3 s TRP 4 CO -0.05 -2.00 0.87 0.99 0.02 0.00 0.00 176.95 176.79 1de3 s THR 5 N 6.30 4.65 -0.09 2.01 2.01 0.15 -0.42 115.64 130.25 1de3 s THR 5 Ca 0.48 1.87 0.00 0.00 0.31 0.00 0.00 61.69 64.35 1de3 s THR 5 Cb -0.05 -4.23 0.02 0.00 0.01 0.00 0.00 72.50 68.25 1de3 s THR 5 CO 0.03 0.32 -0.08 0.00 -0.69 0.00 0.00 174.62 174.20 1de3 s LEU 7 N 1.34 6.07 0.40 0.00 1.43 -1.26 0.01 118.68 126.67 1de3 s LEU 7 Ca -0.03 -2.10 0.08 0.00 -1.03 0.00 0.00 54.13 51.05 1de3 s LEU 7 Cb -0.14 -2.26 -0.02 0.00 0.03 0.00 0.00 46.19 43.81 1de3 s LEU 7 CO -0.03 -0.83 0.39 0.54 0.23 0.00 0.00 176.35 176.64 1de3 s ASN 8 N 3.04 5.21 0.00 2.29 6.03 -1.11 -4.71 114.94 125.70 1de3 s ASN 8 Ca 0.15 -0.63 -0.03 0.00 -1.03 0.00 0.00 52.86 51.32 1de3 s ASN 8 Cb -0.17 -0.68 -0.04 0.00 -3.03 0.00 0.00 41.25 37.32 1de3 s ASN 8 CO -0.03 -0.60 0.20 -0.62 -2.03 0.00 0.00 177.10 174.02 1de3 s ASP 9 N -4.14 6.39 -0.09 3.54 2.15 -1.26 -1.11 116.67 122.16 1de3 s ASP 9 Ca 0.48 0.37 -0.03 0.00 0.43 0.00 0.00 52.55 53.80 1de3 s ASP 9 Cb -0.05 -2.01 0.04 0.00 -0.30 0.00 0.00 42.92 40.60 1de3 s ASP 9 CO 0.28 0.25 0.06 -1.10 -0.17 0.00 0.00 175.17 174.49 1de3 s GLN 10 N -2.00 0.11 -1.20 4.34 -0.21 0.93 -0.53 119.66 121.11 1de3 s GLN 10 Ca 0.28 0.16 -0.19 0.00 0.02 0.00 0.00 55.36 55.64 1de3 s GLN 10 Cb -0.13 -1.03 -0.03 0.00 1.00 0.00 0.00 33.01 32.82 1de3 s GLN 10 CO 0.20 -0.43 1.98 1.17 -2.12 0.00 0.00 175.29 176.08 1de3 n LYS 11 N 5.25 2.38 -1.66 2.91 4.81 -1.26 -0.50 118.16 130.10 1de3 n LYS 11 Ca -0.05 -2.56 -0.56 0.00 -0.87 0.00 0.00 58.31 54.27 1de3 n LYS 11 Cb 0.50 -3.33 -0.07 0.00 0.02 0.00 0.00 35.03 32.15 1de3 n LYS 11 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 1de3 n ASN 12 N 8.50 1.94 0.19 3.14 5.15 0.08 -4.71 115.26 129.55 1de3 n ASN 12 Ca 0.49 1.10 0.05 0.00 -0.60 0.00 0.00 54.58 55.62 1de3 n ASN 12 Cb 0.42 -1.13 0.37 0.00 -0.53 0.00 0.00 39.78 38.91 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 5.92 0.00 0.44 1.20 0.13 -1.92 0.25 132.00 138.01 1de3 h PRO 13 Ca -0.47 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.64 1de3 h PRO 13 Cb 1.33 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.47 1de3 h PRO 13 CO 0.88 0.37 -0.21 -0.22 -0.23 0.00 0.00 178.00 178.59 1de3 h LYS 14 N 0.00 -0.57 0.00 0.86 3.11 -1.96 -3.12 116.57 114.90 1de3 h LYS 14 Ca -0.00 0.04 0.00 0.00 -2.81 0.00 0.00 60.65 57.87 1de3 h LYS 14 Cb 0.78 0.13 0.00 0.00 -1.00 0.00 0.00 32.23 32.14 1de3 h LYS 14 CO 0.05 -0.29 -0.34 0.25 -2.81 0.00 0.00 179.45 176.31 1de3 n THR 15 N -5.27 0.39 -2.46 1.00 -2.24 -1.22 -4.94 114.28 99.53 1de3 n THR 15 Ca -0.11 -0.23 -0.15 0.00 -2.27 0.00 0.00 64.05 61.29 1de3 n THR 15 Cb 0.29 -0.29 -0.01 0.00 -2.10 0.00 0.00 70.33 68.22 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 -2.07 -4.45 -4.21 3.42 2.85 0.86 -4.94 115.26 106.72 1de3 n ASN 16 Ca 0.05 0.12 -0.12 0.00 -0.11 0.00 0.00 54.58 54.52 1de3 n ASN 16 Cb 0.42 -3.75 -0.10 0.00 1.24 0.00 0.00 39.78 37.59 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 -5.07 0.94 -0.07 1.20 2.20 -1.05 -4.91 119.74 112.99 1de3 s LYS 17 Ca 0.01 -1.40 -0.25 0.00 -0.36 0.00 0.00 55.97 53.98 1de3 s LYS 17 Cb -0.01 -0.35 -0.03 0.00 -1.51 0.00 0.00 37.83 35.93 1de3 s LYS 17 CO 0.02 -0.00 0.76 0.71 -0.36 0.00 0.00 175.35 176.47 1de3 s TYR 18 N -3.53 3.56 0.04 4.03 2.02 -1.26 -0.74 117.35 121.48 1de3 s TYR 18 Ca 0.15 1.31 0.04 0.00 -0.37 0.00 0.00 57.07 58.20 1de3 s TYR 18 Cb 0.05 -2.88 -0.02 0.00 -0.40 0.00 0.00 41.96 38.71 1de3 s TYR 18 CO -0.02 0.03 -0.12 -1.21 -1.57 0.00 0.00 175.55 172.66 1de3 s GLU 19 N 1.03 0.79 -0.57 -0.62 2.02 0.35 -4.87 118.70 116.83 1de3 s GLU 19 Ca 0.40 -0.74 -0.19 0.00 0.02 0.00 0.00 54.97 54.46 1de3 s GLU 19 Cb -0.18 -0.74 0.10 0.00 0.10 0.00 0.00 34.13 33.40 1de3 s GLU 19 CO 0.19 0.18 0.67 0.99 0.02 0.00 0.00 175.26 177.30 1de3 s THR 20 N -0.96 4.87 0.57 3.63 2.01 -1.26 -0.05 115.64 124.45 1de3 s THR 20 Ca -0.01 -0.94 -0.00 0.00 0.31 0.00 0.00 61.69 61.05 1de3 s THR 20 Cb -0.08 -4.44 0.03 0.00 0.01 0.00 0.00 72.50 68.03 1de3 s THR 20 CO 0.01 -1.04 0.80 -0.54 -0.69 0.00 0.00 174.62 173.17 1de3 s LYS 21 N 2.58 2.54 -0.93 4.92 -0.14 -0.26 -4.93 119.74 123.52 1de3 s LYS 21 Ca 0.11 -0.66 -0.05 0.00 -1.36 0.00 0.00 55.97 54.01 1de3 s LYS 21 Cb -0.24 -2.44 0.23 0.00 -1.68 0.00 0.00 37.83 33.70 1de3 s LYS 21 CO 0.07 -0.75 0.85 1.03 -0.76 0.00 0.00 175.35 175.78 1de3 s ARG 22 N -4.82 3.51 -1.11 1.68 0.52 -1.26 -2.75 118.95 114.73 1de3 s ARG 22 Ca 0.57 -3.13 -0.19 0.00 -0.52 0.00 0.00 55.73 52.46 1de3 s ARG 22 Cb -0.10 -4.15 0.09 0.00 0.52 0.00 0.00 34.95 31.31 1de3 s ARG 22 CO 0.39 -1.25 1.45 -0.51 0.02 0.00 0.00 175.30 175.41 1de3 s LEU 23 N -1.08 4.20 0.33 2.53 1.02 0.10 -4.86 118.68 120.92 1de3 s LEU 23 Ca 0.27 -2.11 -0.10 0.00 0.02 0.00 0.00 54.13 52.20 1de3 s LEU 23 Cb -0.10 -2.51 -0.07 0.00 0.02 0.00 0.00 46.19 43.54 1de3 s LEU 23 CO -0.10 -1.19 0.67 -1.48 0.02 0.00 0.00 176.35 174.27 1de3 s LEU 24 N 3.69 3.99 0.00 1.79 2.34 -1.26 -1.04 118.68 128.19 1de3 s LEU 24 Ca 0.45 1.02 0.05 0.00 0.06 0.00 0.00 54.13 55.70 1de3 s LEU 24 Cb -0.00 -3.85 -0.02 0.00 -0.56 0.00 0.00 46.19 41.76 1de3 s LEU 24 CO -0.03 -0.26 0.18 -1.22 -1.06 0.00 0.00 176.35 173.96 1de3 n TYR 25 N -0.84 -0.13 -4.73 3.48 4.02 0.44 -4.75 117.16 114.66 1de3 n TYR 25 Ca 0.01 -2.57 -0.33 0.00 -0.01 0.00 0.00 57.90 55.01 1de3 n TYR 25 Cb 0.54 0.08 -0.16 0.00 -0.02 0.00 0.00 39.34 39.77 1de3 n TYR 25 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 176.86 177.06 1de3 s ASN 26 N -3.36 3.24 0.52 7.72 3.84 -1.26 -1.88 114.94 123.75 1de3 s ASN 26 Ca 0.25 -0.56 0.16 0.00 0.21 0.00 0.00 52.86 52.92 1de3 s ASN 26 Cb 0.01 -1.47 1.26 0.00 -0.55 0.00 0.00 41.25 40.50 1de3 s ASN 26 CO 0.18 0.09 2.15 -0.61 -2.79 0.00 0.00 177.10 176.12 1de3 h GLN 27 N 7.21 0.02 0.46 0.43 -0.00 -1.43 -1.41 115.11 120.40 1de3 h GLN 27 Ca -0.30 -0.00 -0.02 0.00 -0.00 0.00 0.00 58.65 58.32 1de3 h GLN 27 Cb 1.20 -0.00 0.00 0.00 0.00 0.00 0.00 27.48 28.68 1de3 h GLN 27 CO 0.54 0.01 -0.22 -0.91 0.00 0.00 0.00 178.83 178.26 1de3 h ASN 28 N 0.02 -0.52 -0.59 -0.69 4.21 -1.82 0.28 115.58 116.46 1de3 h ASN 28 Ca 0.01 0.02 0.17 0.00 1.21 0.00 0.00 56.30 57.71 1de3 h ASN 28 Cb 0.01 0.14 -0.02 0.00 -1.12 0.00 0.00 38.32 37.32 1de3 h ASN 28 CO -0.00 -0.32 0.54 0.11 -1.29 0.00 0.00 177.43 176.48 1de3 h LYS 29 N -0.73 0.00 0.01 0.81 6.56 -1.87 0.64 116.57 121.98 1de3 h LYS 29 Ca -0.06 0.00 -0.00 0.00 -1.06 0.00 0.00 60.65 59.53 1de3 h LYS 29 Cb 0.47 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.13 1de3 h LYS 29 CO 0.10 0.00 -0.01 0.00 -2.06 0.00 0.00 179.45 177.49 1de3 h ALA 30 N 1.47 -0.31 -0.58 3.86 0.00 -1.06 0.20 119.26 122.84 1de3 h ALA 30 Ca 0.28 -0.00 0.17 0.00 0.00 0.00 0.00 54.91 55.36 1de3 h ALA 30 Cb 1.37 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.14 1de3 h ALA 30 CO -0.00 -0.30 0.46 1.05 0.00 0.00 0.00 179.25 180.45 1de3 h GLU 31 N -0.05 0.00 0.21 0.00 -0.00 0.32 -0.32 114.58 114.75 1de3 h GLU 31 Ca -0.00 0.00 -0.32 0.00 -0.00 0.00 0.00 59.36 59.04 1de3 h GLU 31 Cb 0.01 0.00 0.03 0.00 -0.00 0.00 0.00 28.75 28.79 1de3 h GLU 31 CO 0.00 0.00 -1.45 1.03 -0.00 0.00 0.00 179.01 178.59 1de3 h SER 32 N 0.00 0.71 0.17 3.06 0.87 0.19 -2.18 113.55 116.36 1de3 h SER 32 Ca 0.27 -0.93 -0.01 0.00 -1.23 0.00 0.00 61.79 59.90 1de3 h SER 32 Cb 1.19 -0.23 0.00 0.00 -0.44 0.00 0.00 62.40 62.92 1de3 h SER 32 CO -0.00 1.68 -0.08 0.78 -0.53 0.00 0.00 176.83 178.68 1de3 h ASN 33 N 0.03 -0.19 -0.70 6.23 2.35 0.82 -1.57 115.58 122.55 1de3 h ASN 33 Ca -0.27 -0.01 0.01 0.00 -0.55 0.00 0.00 56.30 55.48 1de3 h ASN 33 Cb 2.05 0.05 -0.04 0.00 0.05 0.00 0.00 38.32 40.43 1de3 h ASN 33 CO 0.22 -0.12 0.47 0.77 -1.65 0.00 0.00 177.43 177.12 1de3 h SER 34 N -0.25 0.80 0.55 5.81 4.64 -1.22 -0.12 113.55 123.76 1de3 h SER 34 Ca -0.02 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 1de3 h SER 34 Cb 0.19 -0.20 0.00 0.00 -0.31 0.00 0.00 62.40 62.08 1de3 h SER 34 CO 0.04 0.58 0.00 1.41 -0.87 0.00 0.00 176.83 177.99 1de3 n HIS 35 N -4.43 0.29 0.87 4.77 8.25 -0.82 -0.89 115.22 123.26 1de3 n HIS 35 Ca 0.08 0.11 0.09 0.00 -0.26 0.00 0.00 57.72 57.74 1de3 n HIS 35 Cb 0.04 -0.68 -0.08 0.00 1.12 0.00 0.00 29.99 30.38 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 -1.76 0.00 -3.74 4.41 -0.00 -0.17 -4.96 115.22 109.00 1de3 n HIS 36 Ca 0.03 0.00 -0.36 0.00 -0.00 0.00 0.00 57.72 57.39 1de3 n HIS 36 Cb 0.18 0.00 -0.06 0.00 -0.00 0.00 0.00 29.99 30.11 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 -2.64 3.83 0.83 1.57 0.00 -0.07 -5.08 121.76 120.20 1de3 s ALA 37 Ca 0.09 -0.52 -0.11 0.00 0.00 0.00 0.00 51.96 51.41 1de3 s ALA 37 Cb 0.14 -2.10 0.09 0.00 0.00 0.00 0.00 23.12 21.25 1de3 s ALA 37 CO 0.70 0.61 1.09 -1.25 0.00 0.00 0.00 175.76 176.92 1de3 s PRO 38 N -1.48 1.79 -1.08 0.00 0.04 -1.26 -4.93 135.00 128.08 1de3 s PRO 38 Ca 0.24 0.94 -0.09 0.00 0.04 0.00 0.00 61.00 62.12 1de3 s PRO 38 Cb -0.14 -1.86 0.27 0.00 0.04 0.00 0.00 34.50 32.82 1de3 s PRO 38 CO 0.13 -1.90 1.07 -0.51 0.04 0.00 0.00 177.00 175.83 1de3 s LEU 39 N -6.03 6.36 -0.30 -3.56 1.43 -1.26 -4.45 118.68 110.87 1de3 s LEU 39 Ca 0.62 -3.52 -0.13 0.00 -1.03 0.00 0.00 54.13 50.07 1de3 s LEU 39 Cb -0.17 -2.20 0.14 0.00 0.03 0.00 0.00 46.19 43.99 1de3 s LEU 39 CO 0.56 -0.31 0.80 -0.94 0.23 0.00 0.00 176.35 176.70 1de3 s SER 40 N 1.35 -0.87 0.12 2.29 1.04 -1.26 -5.00 113.70 111.37 1de3 s SER 40 Ca 0.30 1.23 -0.31 0.00 0.48 0.00 0.00 55.95 57.64 1de3 s SER 40 Cb -0.10 1.90 -0.08 0.00 0.10 0.00 0.00 66.02 67.84 1de3 s SER 40 CO -0.08 -0.17 1.39 -0.62 0.98 0.00 0.00 173.24 174.73 1de3 s ASP 41 N 2.50 6.82 -1.19 7.02 2.15 -1.19 -3.92 116.67 128.85 1de3 s ASP 41 Ca -0.05 2.35 -0.29 0.00 0.43 0.00 0.00 52.55 54.98 1de3 s ASP 41 Cb -0.09 -2.59 0.04 0.00 -0.30 0.00 0.00 42.92 39.99 1de3 s ASP 41 CO -0.18 -0.65 0.56 0.61 -0.17 0.00 0.00 175.17 175.33 1de3 n GLY 42 N 3.41 -0.69 0.81 2.66 0.00 -1.20 -4.52 105.19 105.66 1de3 n GLY 42 Ca 0.11 0.29 0.02 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 -4.82 0.14 -4.40 1.61 3.00 -1.25 -5.02 118.16 107.43 1de3 n LYS 43 Ca -0.13 -1.52 -0.22 0.00 -0.00 0.00 0.00 58.31 56.44 1de3 n LYS 43 Cb 0.55 -0.44 -0.09 0.00 0.00 0.00 0.00 35.03 35.05 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 -0.31 0.39 0.00 3.15 2.01 -1.26 -5.02 115.64 114.60 1de3 s THR 44 Ca 0.15 -2.00 0.00 0.00 0.31 0.00 0.00 61.69 60.15 1de3 s THR 44 Cb 0.16 -2.45 0.00 0.00 0.01 0.00 0.00 72.50 70.22 1de3 s THR 44 CO -0.06 0.00 1.00 0.61 -0.69 0.00 0.00 174.62 175.48 1de3 n GLY 45 N -0.72 -2.60 0.00 4.40 0.00 -1.19 -1.67 105.19 103.41 1de3 n GLY 45 Ca -0.01 0.14 0.04 0.00 0.00 0.00 0.00 46.02 46.19 1de3 n GLY 45 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1de3 n SER 46 N -2.23 0.00 0.00 1.61 3.41 -0.45 -3.95 113.62 112.02 1de3 n SER 46 Ca 0.00 0.10 0.00 0.00 -0.26 0.00 0.00 58.87 58.71 1de3 n SER 46 Cb 0.00 -0.25 0.00 0.00 -0.26 0.00 0.00 64.21 63.70 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 -1.25 -2.53 -4.45 4.04 2.88 -0.67 -5.03 113.62 106.62 1de3 n SER 47 Ca 0.05 0.00 -0.32 0.00 -1.33 0.00 0.00 58.87 57.27 1de3 n SER 47 Cb 0.07 -0.46 -0.13 0.00 -0.75 0.00 0.00 64.21 62.94 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 2.60 -0.12 0.66 2.02 -1.26 -2.84 117.35 116.42 1de3 s TYR 48 Ca 0.00 -0.23 -0.29 0.00 -0.37 0.00 0.00 57.07 56.18 1de3 s TYR 48 Cb 0.00 -1.54 -0.01 0.00 -0.40 0.00 0.00 41.96 40.01 1de3 s TYR 48 CO 0.00 0.20 1.01 -1.25 -1.57 0.00 0.00 175.55 173.94 1de3 s PRO 49 N -1.06 4.41 0.02 -1.71 0.04 -1.26 -4.56 135.00 130.87 1de3 s PRO 49 Ca 0.13 1.39 -0.19 0.00 0.04 0.00 0.00 61.00 62.37 1de3 s PRO 49 Cb -0.10 -3.55 -0.06 0.00 0.04 0.00 0.00 34.50 30.82 1de3 s PRO 49 CO 0.03 -0.35 0.54 -3.38 0.04 0.00 0.00 177.00 173.88 1de3 s HIS 50 N 2.14 3.73 0.17 0.56 -3.43 -1.13 -3.22 115.29 114.10 1de3 s HIS 50 Ca 0.48 1.17 -0.32 0.00 -0.80 0.00 0.00 55.06 55.58 1de3 s HIS 50 Cb -0.18 -2.50 -0.16 0.00 -1.43 0.00 0.00 32.58 28.31 1de3 s HIS 50 CO 0.17 0.49 1.00 1.87 -2.00 0.00 0.00 174.74 176.27 1de3 n TRP 51 N 2.23 0.85 -3.30 0.38 -0.00 -1.26 -1.16 117.44 115.17 1de3 n TRP 51 Ca -0.10 0.79 -0.46 0.00 -0.00 0.00 0.00 57.50 57.74 1de3 n TRP 51 Cb 0.51 -2.19 -0.05 0.00 -0.00 0.00 0.00 31.31 29.59 1de3 n TRP 51 CO 0.00 0.00 0.00 0.12 -0.00 0.00 0.00 177.69 177.81 1de3 s PHE 52 N -0.43 3.29 0.29 5.87 5.36 0.15 -4.65 117.98 127.87 1de3 s PHE 52 Ca 0.72 -1.35 0.01 0.00 -0.96 0.00 0.00 56.93 55.35 1de3 s PHE 52 Cb -0.91 -3.81 0.71 0.00 -0.34 0.00 0.00 43.02 38.67 1de3 s PHE 52 CO 0.55 -1.03 1.60 1.79 -1.46 0.00 0.00 175.22 176.67 1de3 h THR 53 N 5.78 0.14 -4.41 0.12 1.35 -1.79 -3.40 112.91 110.70 1de3 h THR 53 Ca -0.26 -0.02 -0.25 0.00 -0.55 0.00 0.00 66.41 65.32 1de3 h THR 53 Cb 1.09 0.07 -0.03 0.00 -1.73 0.00 0.00 68.15 67.55 1de3 h THR 53 CO 1.01 0.01 -0.35 -3.20 -0.25 0.00 0.00 175.52 172.75 1de3 n ASN 54 N -5.40 -3.54 0.00 5.36 5.15 -1.26 -0.46 115.26 115.11 1de3 n ASN 54 Ca 0.22 0.07 0.00 0.00 -0.60 0.00 0.00 54.58 54.26 1de3 n ASN 54 Cb 0.71 -3.00 0.00 0.00 -0.53 0.00 0.00 39.78 36.96 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 -0.88 3.10 3.76 8.20 0.00 -1.26 -4.01 105.19 114.10 1de3 n GLY 55 Ca -0.09 -0.74 -0.39 0.00 0.00 0.00 0.00 46.02 44.79 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 -1.30 2.55 -0.66 1.61 1.51 0.39 -3.68 117.35 117.77 1de3 s TYR 56 Ca 0.00 1.34 0.25 0.00 -1.01 0.00 0.00 57.07 57.65 1de3 s TYR 56 Cb 0.00 -3.80 0.61 0.00 -0.11 0.00 0.00 41.96 38.66 1de3 s TYR 56 CO 0.00 -2.62 1.62 -0.44 -1.11 0.00 0.00 175.55 172.99 1de3 h ASP 57 N 2.25 0.00 0.00 2.29 5.19 0.30 -3.41 116.42 123.03 1de3 h ASP 57 Ca -0.50 -0.06 0.00 0.00 -0.62 0.00 0.00 57.03 55.85 1de3 h ASP 57 Cb 1.27 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.78 1de3 h ASP 57 CO 0.61 0.03 0.00 0.61 -3.12 0.00 0.00 179.24 177.37 1de3 n GLY 58 N 1.29 1.23 0.07 2.75 0.00 -1.26 -4.93 105.19 104.34 1de3 n GLY 58 Ca 0.05 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.99 1de3 n GLY 58 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1de3 n ASP 59 N 0.00 1.64 0.00 1.61 9.92 -1.26 -0.64 116.55 127.81 1de3 n ASP 59 Ca 0.00 -0.02 0.00 0.00 -0.53 0.00 0.00 54.79 54.24 1de3 n ASP 59 Cb 0.00 0.68 0.00 0.00 -0.64 0.00 0.00 41.12 41.16 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 2.20 0.54 3.68 0.44 0.00 -1.26 -4.82 105.19 105.96 1de3 n GLY 60 Ca -0.25 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.34 1de3 n GLY 60 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1de3 n LYS 61 N 0.00 2.73 -4.26 1.61 4.76 -1.26 -4.67 118.16 117.07 1de3 n LYS 61 Ca 0.00 1.00 -0.25 0.00 -2.87 0.00 0.00 58.31 56.19 1de3 n LYS 61 Cb 0.00 -2.90 -0.08 0.00 -1.84 0.00 0.00 35.03 30.21 1de3 n LYS 61 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1de3 s LEU 62 N 3.29 3.05 0.00 -0.35 1.43 -1.26 0.93 118.68 125.78 1de3 s LEU 62 Ca 0.85 -1.07 0.00 0.00 -1.03 0.00 0.00 54.13 52.87 1de3 s LEU 62 Cb -0.50 -1.35 0.00 0.00 0.03 0.00 0.00 46.19 44.37 1de3 s LEU 62 CO 0.40 -0.42 0.07 -0.81 0.23 0.00 0.00 176.35 175.83 1de3 n PRO 63 N -1.11 0.00 -1.17 1.29 -0.04 -1.24 -4.32 135.00 128.42 1de3 n PRO 63 Ca -0.03 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.09 1de3 n PRO 63 Cb 0.64 -0.38 -0.02 0.00 -0.04 0.00 0.00 33.50 33.69 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 -0.19 2.80 0.00 0.54 4.81 -1.26 -4.59 118.16 120.27 1de3 n LYS 64 Ca 0.00 -1.98 0.00 0.00 -0.87 0.00 0.00 58.31 55.46 1de3 n LYS 64 Cb 0.00 -2.77 0.00 0.00 0.02 0.00 0.00 35.03 32.28 1de3 n LYS 64 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1de3 n GLY 65 N 3.82 1.27 3.18 3.14 0.00 -1.26 -4.40 105.19 110.94 1de3 n GLY 65 Ca 0.60 -0.02 0.05 0.00 0.00 0.00 0.00 46.02 46.65 1de3 n GLY 65 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1de3 s ARG 66 N 0.00 0.24 -0.47 1.61 0.52 -1.26 -4.11 118.95 115.48 1de3 s ARG 66 Ca 0.00 0.45 0.09 0.00 -0.52 0.00 0.00 55.73 55.74 1de3 s ARG 66 Cb 0.00 0.25 0.37 0.00 0.52 0.00 0.00 34.95 36.09 1de3 s ARG 66 CO 0.00 -0.23 0.90 2.41 0.02 0.00 0.00 175.30 178.40 1de3 n THR 67 N 5.38 1.74 -2.55 0.02 -1.04 -1.26 -5.01 114.28 111.56 1de3 n THR 67 Ca -0.07 -4.92 -0.42 0.00 -2.04 0.00 0.00 64.05 56.60 1de3 n THR 67 Cb 0.53 -0.81 -0.02 0.00 -1.82 0.00 0.00 70.33 68.21 1de3 n THR 67 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1de3 s PRO 68 N -3.12 3.50 -0.47 -2.82 0.04 -1.26 -4.42 135.00 126.45 1de3 s PRO 68 Ca 0.44 0.32 -0.45 0.00 0.04 0.00 0.00 61.00 61.35 1de3 s PRO 68 Cb 0.34 -4.03 -0.19 0.00 0.04 0.00 0.00 34.50 30.66 1de3 s PRO 68 CO -0.11 -1.70 1.76 -0.89 0.04 0.00 0.00 177.00 176.10 1de3 n ILE 69 N 6.73 0.04 -2.83 0.56 5.41 -1.26 -4.86 119.36 123.15 1de3 n ILE 69 Ca 0.10 -0.01 -0.42 0.00 1.00 0.00 0.00 62.75 63.41 1de3 n ILE 69 Cb 0.49 -0.61 -0.04 0.00 -0.71 0.00 0.00 39.64 38.78 1de3 n ILE 69 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 176.55 176.01 1de3 s LYS 70 N 3.88 4.07 -0.21 0.38 1.02 -1.26 -4.68 119.74 122.94 1de3 s LYS 70 Ca 1.08 0.86 0.16 0.00 0.02 0.00 0.00 55.97 58.09 1de3 s LYS 70 Cb -1.44 -3.70 -0.24 0.00 -0.52 0.00 0.00 37.83 31.93 1de3 s LYS 70 CO 0.76 -0.70 0.03 1.19 -0.92 0.00 0.00 175.35 175.71 1de3 n PHE 71 N 6.34 0.00 0.00 3.18 3.72 -1.26 -4.95 117.46 124.49 1de3 n PHE 71 Ca 0.07 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.47 1de3 n PHE 71 Cb 0.47 -0.99 0.00 0.00 -0.94 0.00 0.00 39.48 38.02 1de3 n PHE 71 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1de3 n GLY 72 N 1.82 1.11 3.24 1.37 0.00 -1.26 -4.91 105.19 106.56 1de3 n GLY 72 Ca -0.34 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.34 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 -0.05 3.22 0.59 1.61 1.02 -1.26 -4.99 119.74 119.87 1de3 s LYS 73 Ca 0.00 -0.73 0.28 0.00 0.02 0.00 0.00 55.97 55.55 1de3 s LYS 73 Cb 0.00 -2.74 1.62 0.00 -0.52 0.00 0.00 37.83 36.19 1de3 s LYS 73 CO 0.00 -0.11 2.07 0.77 -0.92 0.00 0.00 175.35 177.16 1de3 h SER 74 N 7.72 0.00 0.62 2.83 0.02 -1.99 0.13 113.55 122.88 1de3 h SER 74 Ca -0.39 0.00 -0.26 0.00 -0.84 0.00 0.00 61.79 60.30 1de3 h SER 74 Cb 1.17 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.71 1de3 h SER 74 CO 0.60 0.00 -1.18 0.44 -1.14 0.00 0.00 176.83 175.55 1de3 h ASP 75 N 0.00 0.41 0.88 3.07 5.19 -1.95 -0.23 116.42 123.80 1de3 h ASP 75 Ca 0.11 -0.42 -0.14 0.00 -0.62 0.00 0.00 57.03 55.96 1de3 h ASP 75 Cb 0.59 -0.13 -0.02 0.00 0.18 0.00 0.00 39.33 39.94 1de3 h ASP 75 CO -0.00 1.31 -0.66 0.00 -3.12 0.00 0.00 179.24 176.77 1de3 n ASP 77 N -3.55 0.62 -4.63 0.00 2.03 0.28 -4.93 116.55 106.38 1de3 n ASP 77 Ca -0.00 0.22 -0.32 0.00 0.52 0.00 0.00 54.79 55.20 1de3 n ASP 77 Cb 0.70 -0.13 0.14 0.00 -0.72 0.00 0.00 41.12 41.11 1de3 n ASP 77 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1de3 n ARG 78 N -1.99 -0.19 -2.03 -0.67 1.74 -0.10 -4.93 116.66 108.48 1de3 n ARG 78 Ca 0.05 0.01 -0.43 0.00 -0.77 0.00 0.00 57.85 56.71 1de3 n ARG 78 Cb 0.41 -2.30 -0.03 0.00 -1.02 0.00 0.00 32.46 29.53 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 -4.23 3.74 -0.44 5.56 0.04 -1.26 -4.95 135.00 133.46 1de3 s PRO 79 Ca 0.68 1.75 -0.28 0.00 0.04 0.00 0.00 61.00 63.18 1de3 s PRO 79 Cb -0.25 -4.08 0.01 0.00 0.04 0.00 0.00 34.50 30.21 1de3 s PRO 79 CO 0.57 -1.36 1.44 -1.25 0.04 0.00 0.00 177.00 176.44 1de3 s PRO 80 N 4.85 3.48 -1.27 0.56 0.04 -1.26 -4.88 135.00 136.52 1de3 s PRO 80 Ca 0.75 0.85 -0.15 0.00 0.04 0.00 0.00 61.00 62.49 1de3 s PRO 80 Cb -0.27 -4.06 0.13 0.00 0.04 0.00 0.00 34.50 30.34 1de3 s PRO 80 CO 0.31 -1.69 1.64 1.17 0.04 0.00 0.00 177.00 178.47 1de3 n LYS 81 N 8.24 3.30 -2.78 4.56 3.00 -1.26 -4.17 118.16 129.06 1de3 n LYS 81 Ca 0.16 -3.53 -0.41 0.00 -0.00 0.00 0.00 58.31 54.53 1de3 n LYS 81 Cb 0.48 -3.22 -0.04 0.00 0.00 0.00 0.00 35.03 32.25 1de3 n LYS 81 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.40 175.82 1de3 s HIS 82 N 2.55 3.79 0.00 5.64 5.65 0.18 -4.01 115.29 129.09 1de3 s HIS 82 Ca 0.47 1.73 0.00 0.00 0.25 0.00 0.00 55.06 57.51 1de3 s HIS 82 Cb 0.02 -3.01 0.00 0.00 -1.18 0.00 0.00 32.58 28.41 1de3 s HIS 82 CO 0.03 0.20 0.00 0.45 -0.65 0.00 0.00 174.74 174.77 1de3 n SER 83 N 2.87 0.00 0.33 9.88 2.88 -1.26 -4.64 113.62 123.68 1de3 n SER 83 Ca 0.02 0.00 -0.14 0.00 -1.33 0.00 0.00 58.87 57.42 1de3 n SER 83 Cb 0.49 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.89 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 -0.85 -0.49 -1.46 1.57 -1.98 -3.33 116.57 110.03 1de3 h LYS 84 Ca 0.00 0.06 -0.06 0.00 -1.87 0.00 0.00 60.65 58.77 1de3 h LYS 84 Cb 0.00 0.19 -0.04 0.00 0.08 0.00 0.00 32.23 32.47 1de3 h LYS 84 CO 0.00 -0.56 0.06 -0.40 -0.57 0.00 0.00 179.45 177.98 1de3 n ASP 85 N -5.36 4.69 -3.98 0.86 5.75 -1.26 -4.92 116.55 112.32 1de3 n ASP 85 Ca -0.11 -3.09 -0.26 0.00 -0.01 0.00 0.00 54.79 51.32 1de3 n ASP 85 Cb 0.35 -0.65 -0.03 0.00 -1.03 0.00 0.00 41.12 39.76 1de3 n ASP 85 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1de3 n GLY 86 N -0.07 -0.22 2.71 6.12 0.00 -1.25 -3.14 105.19 109.33 1de3 n GLY 86 Ca 0.29 0.15 -0.09 0.00 0.00 0.00 0.00 46.02 46.37 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 -2.97 -2.71 -2.36 1.61 6.94 -1.26 -3.78 115.26 110.72 1de3 n ASN 87 Ca -0.30 -3.24 0.00 0.00 -0.02 0.00 0.00 54.58 51.01 1de3 n ASN 87 Cb 0.68 1.65 0.00 0.00 -2.36 0.00 0.00 39.78 39.76 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 1.70 0.90 0.17 4.83 0.00 -1.26 -4.97 105.19 106.57 1de3 n GLY 88 Ca 0.10 -1.60 -0.12 0.00 0.00 0.00 0.00 46.02 44.41 1de3 n GLY 88 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1de3 h LYS 89 N 0.00 -0.32 -0.79 1.61 3.64 -2.00 -3.38 116.57 115.32 1de3 h LYS 89 Ca 0.00 0.02 -0.34 0.00 -1.27 0.00 0.00 60.65 59.06 1de3 h LYS 89 Cb 0.00 0.07 -0.40 0.00 -0.41 0.00 0.00 32.23 31.49 1de3 h LYS 89 CO 0.00 0.04 -1.11 0.25 -2.27 0.00 0.00 179.45 176.36 1de3 n THR 90 N -5.03 1.28 -1.67 1.00 -2.24 -1.26 -5.10 114.28 101.27 1de3 n THR 90 Ca -0.08 -3.19 -0.51 0.00 -2.27 0.00 0.00 64.05 58.00 1de3 n THR 90 Cb 0.26 0.69 -0.05 0.00 -2.10 0.00 0.00 70.33 69.13 1de3 n THR 90 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1de3 n ASP 91 N -0.34 2.72 -2.63 3.42 9.92 -1.26 -4.90 116.55 123.48 1de3 n ASP 91 Ca 0.12 1.06 -0.23 0.00 -0.53 0.00 0.00 54.79 55.21 1de3 n ASP 91 Cb 0.81 -1.29 -0.00 0.00 -0.64 0.00 0.00 41.12 40.00 1de3 n ASP 91 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1de3 n HIS 92 N 4.66 2.83 -3.32 1.24 1.44 -1.26 -4.25 115.22 116.57 1de3 n HIS 92 Ca 0.21 -3.22 -0.28 0.00 -2.01 0.00 0.00 57.72 52.42 1de3 n HIS 92 Cb 0.23 -0.23 -0.03 0.00 0.12 0.00 0.00 29.99 30.08 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 -3.37 3.48 -0.02 -1.40 1.13 -1.26 -4.03 117.35 111.88 1de3 s TYR 93 Ca 0.43 0.61 -0.24 0.00 -1.41 0.00 0.00 57.07 56.46 1de3 s TYR 93 Cb 0.39 -2.08 -0.04 0.00 -1.10 0.00 0.00 41.96 39.13 1de3 s TYR 93 CO -0.13 0.15 0.73 -0.51 -2.51 0.00 0.00 175.55 173.29 1de3 s LEU 94 N -3.69 4.38 0.13 -3.49 1.43 -1.26 -3.58 118.68 112.61 1de3 s LEU 94 Ca 0.43 1.31 0.07 0.00 -1.03 0.00 0.00 54.13 54.92 1de3 s LEU 94 Cb -0.11 -3.16 -0.04 0.00 0.03 0.00 0.00 46.19 42.92 1de3 s LEU 94 CO 0.31 -0.06 -0.06 -0.76 0.23 0.00 0.00 176.35 176.01 1de3 s LEU 95 N 0.41 3.15 -0.14 1.79 1.02 -0.58 0.30 118.68 124.63 1de3 s LEU 95 Ca 0.38 -0.40 0.00 0.00 0.02 0.00 0.00 54.13 54.13 1de3 s LEU 95 Cb -0.19 -1.88 0.03 0.00 0.02 0.00 0.00 46.19 44.17 1de3 s LEU 95 CO 0.20 0.14 -0.11 -1.83 0.02 0.00 0.00 176.35 174.78 1de3 s GLU 96 N -2.53 1.94 -0.08 1.70 -1.05 -0.31 -2.91 118.70 115.46 1de3 s GLU 96 Ca 0.24 -0.49 -0.01 0.00 -0.15 0.00 0.00 54.97 54.57 1de3 s GLU 96 Cb -0.10 -1.96 -0.03 0.00 -0.44 0.00 0.00 34.13 31.59 1de3 s GLU 96 CO 0.16 -0.28 -0.02 0.12 0.95 0.00 0.00 175.26 176.18 1de3 s PHE 97 N 1.56 3.08 -0.92 4.83 2.19 -0.24 -3.27 117.98 125.21 1de3 s PHE 97 Ca 0.04 0.11 -0.24 0.00 0.33 0.00 0.00 56.93 57.17 1de3 s PHE 97 Cb -0.13 -1.77 -0.04 0.00 -1.31 0.00 0.00 43.02 39.76 1de3 s PHE 97 CO -0.09 0.40 1.92 -1.25 1.83 0.00 0.00 175.22 178.03 1de3 s PRO 98 N -0.80 2.61 -0.12 10.12 0.04 -1.26 -0.43 135.00 145.16 1de3 s PRO 98 Ca 0.12 -0.36 -0.23 0.00 0.04 0.00 0.00 61.00 60.57 1de3 s PRO 98 Cb -0.11 -5.08 -0.03 0.00 0.04 0.00 0.00 34.50 29.31 1de3 s PRO 98 CO 0.02 -3.34 0.71 -0.08 0.04 0.00 0.00 177.00 174.35 1de3 s THR 99 N 9.85 5.01 0.14 1.26 -1.32 -1.20 -4.80 115.64 124.57 1de3 s THR 99 Ca 0.69 1.41 -0.04 0.00 -1.21 0.00 0.00 61.69 62.54 1de3 s THR 99 Cb -0.06 -4.03 -0.05 0.00 -1.51 0.00 0.00 72.50 66.84 1de3 s THR 99 CO -0.01 0.17 0.36 -0.36 -2.21 0.00 0.00 174.62 172.57 1de3 s PHE 100 N 1.37 3.48 0.04 9.09 0.40 -1.26 -4.54 117.98 126.56 1de3 s PHE 100 Ca 0.35 0.51 -0.18 0.00 -0.60 0.00 0.00 56.93 57.01 1de3 s PHE 100 Cb -0.17 -1.97 -0.19 0.00 0.51 0.00 0.00 43.02 41.20 1de3 s PHE 100 CO 0.15 0.44 1.21 -1.00 0.70 0.00 0.00 175.22 176.72 1de3 h PRO 101 N 2.79 0.53 -1.02 0.24 0.13 -1.93 -3.19 132.00 129.55 1de3 h PRO 101 Ca -0.46 -0.46 0.25 0.00 -0.87 0.00 0.00 66.00 64.46 1de3 h PRO 101 Cb 1.17 0.10 -0.11 0.00 0.13 0.00 0.00 31.00 32.29 1de3 h PRO 101 CO 0.73 1.09 0.62 0.22 -0.23 0.00 0.00 178.00 180.43 1de3 h ASP 102 N 0.12 0.60 0.00 1.44 1.82 -1.96 -3.44 116.42 115.00 1de3 h ASP 102 Ca -0.05 0.11 0.00 0.00 -0.39 0.00 0.00 57.03 56.71 1de3 h ASP 102 Cb 1.22 0.02 0.00 0.00 0.68 0.00 0.00 39.33 41.25 1de3 h ASP 102 CO 0.12 0.11 0.00 0.61 -1.61 0.00 0.00 179.24 178.47 1de3 n GLY 103 N -1.37 1.03 3.65 -0.78 0.00 -1.21 -5.07 105.19 101.44 1de3 n GLY 103 Ca 0.26 -0.05 -0.41 0.00 0.00 0.00 0.00 46.02 45.82 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 3.36 -0.60 1.61 -3.43 -1.26 -4.95 115.29 108.02 1de3 s HIS 104 Ca 0.00 1.02 -0.26 0.00 -0.80 0.00 0.00 55.06 55.02 1de3 s HIS 104 Cb 0.00 -2.90 -0.24 0.00 -1.43 0.00 0.00 32.58 28.01 1de3 s HIS 104 CO 0.00 -0.26 1.83 -0.40 -2.00 0.00 0.00 174.74 173.91 1de3 n ASP 105 N 5.38 1.88 -3.70 7.38 5.68 -1.26 -4.51 116.55 127.41 1de3 n ASP 105 Ca 0.01 -2.59 -0.45 0.00 -0.50 0.00 0.00 54.79 51.26 1de3 n ASP 105 Cb 0.49 -1.07 -0.05 0.00 -1.14 0.00 0.00 41.12 39.35 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 10.88 0.15 -1.53 2.11 9.36 -1.26 -4.65 117.16 132.22 1de3 n TYR 106 Ca 0.47 0.85 -0.13 0.00 3.32 0.00 0.00 57.90 62.41 1de3 n TYR 106 Cb 0.43 -1.69 -0.11 0.00 -0.63 0.00 0.00 39.34 37.34 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 1.08 0.14 0.00 2.98 2.85 -1.26 -4.66 118.16 119.28 1de3 n LYS 107 Ca 0.16 -1.46 0.15 0.00 -1.05 0.00 0.00 58.31 56.11 1de3 n LYS 107 Cb 0.12 -3.67 0.78 0.00 -0.65 0.00 0.00 35.03 31.61 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 18.60 0.00 0.86 5.58 1.16 -1.26 -2.47 117.46 139.93 1de3 n PHE 108 Ca 0.39 0.00 0.09 0.00 -1.87 0.00 0.00 57.45 56.06 1de3 n PHE 108 Cb 0.46 -0.23 -0.05 0.00 -1.61 0.00 0.00 39.48 38.05 1de3 n PHE 108 CO 0.00 0.00 0.00 -3.47 -1.87 0.00 0.00 176.76 171.42 1de3 n ASP 109 N -1.21 1.39 -4.44 5.98 2.03 -1.26 -1.34 116.55 117.71 1de3 n ASP 109 Ca 0.16 -1.20 -0.44 0.00 0.52 0.00 0.00 54.79 53.84 1de3 n ASP 109 Cb 0.22 0.72 -0.03 0.00 -0.72 0.00 0.00 41.12 41.31 1de3 n ASP 109 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 1de3 s SER 110 N -2.44 6.35 0.02 1.67 0.15 -1.03 -3.16 113.70 115.27 1de3 s SER 110 Ca 0.12 -1.47 -0.15 0.00 0.70 0.00 0.00 55.95 55.16 1de3 s SER 110 Cb 0.15 -2.39 -0.08 0.00 -1.71 0.00 0.00 66.02 61.99 1de3 s SER 110 CO 0.61 -1.25 1.22 0.50 1.20 0.00 0.00 173.24 175.52 1de3 h LYS 111 N 9.22 -0.50 -3.94 5.44 3.64 -1.88 -3.12 116.57 125.43 1de3 h LYS 111 Ca -0.12 0.03 -0.47 0.00 -1.27 0.00 0.00 60.65 58.83 1de3 h LYS 111 Cb 1.06 0.11 -0.37 0.00 -0.41 0.00 0.00 32.23 32.62 1de3 h LYS 111 CO 1.14 -0.33 -0.78 0.21 -2.27 0.00 0.00 179.45 177.42 1de3 s LYS 112 N -4.15 0.98 1.03 1.90 2.47 -1.26 -3.78 119.74 116.94 1de3 s LYS 112 Ca -0.08 -0.06 -0.17 0.00 -1.56 0.00 0.00 55.97 54.10 1de3 s LYS 112 Cb 0.01 -1.18 0.23 0.00 -1.46 0.00 0.00 37.83 35.43 1de3 s LYS 112 CO 0.23 -0.25 1.30 -1.25 0.16 0.00 0.00 175.35 175.54 1de3 s PRO 113 N 1.72 0.09 -0.29 4.03 0.04 -1.26 -5.18 135.00 134.14 1de3 s PRO 113 Ca 0.03 -0.42 -0.00 0.00 0.04 0.00 0.00 61.00 60.64 1de3 s PRO 113 Cb -0.13 -1.78 0.18 0.00 0.04 0.00 0.00 34.50 32.81 1de3 s PRO 113 CO -0.05 -2.78 0.56 0.21 0.04 0.00 0.00 177.00 174.97 1de3 s LYS 114 N -5.85 0.53 0.40 4.56 2.20 -1.25 -4.74 119.74 115.60 1de3 s LYS 114 Ca 0.75 0.86 -0.26 0.00 -0.36 0.00 0.00 55.97 56.96 1de3 s LYS 114 Cb -0.04 0.34 -0.09 0.00 -1.51 0.00 0.00 37.83 36.53 1de3 s LYS 114 CO 0.54 -0.68 1.30 -2.00 -0.36 0.00 0.00 175.35 174.15 1de3 s GLU 115 N 2.80 3.99 0.22 4.03 2.12 -1.26 -4.95 118.70 125.64 1de3 s GLU 115 Ca 0.18 2.15 -0.31 0.00 0.36 0.00 0.00 54.97 57.36 1de3 s GLU 115 Cb -0.14 -2.77 -0.15 0.00 0.26 0.00 0.00 34.13 31.32 1de3 s GLU 115 CO -0.21 -0.48 1.03 -1.71 -0.54 0.00 0.00 175.26 173.35 1de3 n ASN 116 N 0.16 1.00 -2.71 -1.70 5.15 -1.26 -4.98 115.26 110.92 1de3 n ASN 116 Ca 0.03 1.16 -0.05 0.00 -0.60 0.00 0.00 54.58 55.12 1de3 n ASN 116 Cb 0.43 -1.21 0.04 0.00 -0.53 0.00 0.00 39.78 38.52 1de3 n ASN 116 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 1de3 n PRO 117 N 1.28 -1.45 -3.46 1.20 -0.04 -1.26 -5.08 135.00 126.18 1de3 n PRO 117 Ca 0.13 -0.28 -0.20 0.00 -0.04 0.00 0.00 63.50 63.12 1de3 n PRO 117 Cb 0.27 -0.27 -0.00 0.00 -0.04 0.00 0.00 33.50 33.46 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 -2.76 1.56 -0.04 0.55 0.00 -1.26 -5.06 107.32 100.31 1de3 s GLY 118 Ca 0.11 -1.39 -0.26 0.00 0.00 0.00 0.00 44.72 43.18 1de3 s GLY 118 CO 0.09 -1.31 1.14 -0.56 0.00 0.00 0.00 173.10 172.46 1de3 h PRO 119 N 0.86 0.06 -6.25 2.90 0.13 -1.90 -3.44 132.00 124.36 1de3 h PRO 119 Ca -0.46 -0.04 -0.57 0.00 -0.87 0.00 0.00 66.00 64.06 1de3 h PRO 119 Cb 1.25 0.01 -0.04 0.00 0.13 0.00 0.00 31.00 32.35 1de3 h PRO 119 CO 0.54 0.67 0.00 0.00 -0.23 0.00 0.00 178.00 178.99 1de3 s ALA 120 N -3.70 3.55 0.02 -0.56 0.00 -1.26 -3.16 121.76 116.65 1de3 s ALA 120 Ca -0.16 0.08 0.03 0.00 0.00 0.00 0.00 51.96 51.91 1de3 s ALA 120 Cb 0.01 -2.71 -0.01 0.00 0.00 0.00 0.00 23.12 20.41 1de3 s ALA 120 CO 0.69 0.34 -0.09 1.03 0.00 0.00 0.00 175.76 177.73 1de3 s ARG 121 N -0.94 0.67 0.34 0.00 0.52 0.17 -3.27 118.95 116.44 1de3 s ARG 121 Ca 0.30 -0.50 -0.26 0.00 -0.52 0.00 0.00 55.73 54.76 1de3 s ARG 121 Cb -0.20 -0.62 -0.10 0.00 0.52 0.00 0.00 34.95 34.56 1de3 s ARG 121 CO 0.20 0.16 0.95 0.54 0.02 0.00 0.00 175.30 177.17 1de3 s VAL 122 N -0.61 4.18 0.07 3.52 0.11 0.43 -0.76 120.40 127.34 1de3 s VAL 122 Ca -0.00 1.76 0.08 0.00 -2.93 0.00 0.00 61.98 60.89 1de3 s VAL 122 Cb -0.06 -3.96 -0.03 0.00 -1.53 0.00 0.00 36.38 30.81 1de3 s VAL 122 CO 0.00 0.10 -0.22 -0.63 -3.33 0.00 0.00 175.10 171.03 1de3 s ILE 123 N -1.65 1.78 -0.27 7.04 -1.09 -0.03 -1.07 121.20 125.91 1de3 s ILE 123 Ca 0.52 -1.39 -0.26 0.00 -2.23 0.00 0.00 60.65 57.28 1de3 s ILE 123 Cb -0.18 -1.57 0.16 0.00 -1.58 0.00 0.00 42.46 39.28 1de3 s ILE 123 CO 0.23 0.11 1.24 -0.72 -1.23 0.00 0.00 174.94 174.58 1de3 s TYR 124 N -0.95 -0.22 0.00 3.97 1.13 -1.15 -0.47 117.35 119.66 1de3 s TYR 124 Ca 0.08 0.50 0.00 0.00 -1.41 0.00 0.00 57.07 56.24 1de3 s TYR 124 Cb -0.09 0.44 0.00 0.00 -1.10 0.00 0.00 41.96 41.21 1de3 s TYR 124 CO 0.03 -0.14 0.00 0.25 -2.51 0.00 0.00 175.55 173.18 1de3 n THR 125 N 1.47 0.00 -3.63 -3.49 -2.24 -1.20 -1.52 114.28 103.67 1de3 n THR 125 Ca -0.09 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.59 1de3 n THR 125 Cb 0.57 -0.91 -0.07 0.00 -2.10 0.00 0.00 70.33 67.83 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 -0.36 -0.45 -1.56 4.78 5.04 -1.23 -2.36 117.35 121.21 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 0.38 1.25 0.00 0.35 0.00 0.00 41.96 43.94 1de3 s TYR 126 CO 0.00 -0.25 1.79 -0.35 -1.34 0.00 0.00 175.55 175.40 1de3 n PRO 127 N 1.92 0.43 -0.28 4.97 -0.04 -1.26 -4.29 135.00 136.45 1de3 n PRO 127 Ca -0.12 0.05 0.09 0.00 -0.04 0.00 0.00 63.50 63.48 1de3 n PRO 127 Cb 0.56 -1.50 0.22 0.00 -0.04 0.00 0.00 33.50 32.74 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 -0.26 -3.26 3.54 -0.26 -1.95 -3.45 115.58 109.93 1de3 h ASN 128 Ca 0.00 0.21 -0.38 0.00 -0.56 0.00 0.00 56.30 55.57 1de3 h ASN 128 Cb 0.17 0.34 -0.02 0.00 -1.06 0.00 0.00 38.32 37.76 1de3 h ASN 128 CO 0.00 -0.20 -0.50 0.29 -1.06 0.00 0.00 177.43 175.96 1de3 n LYS 129 N -5.33 -1.96 -2.18 0.81 5.02 -1.00 -4.86 118.16 108.67 1de3 n LYS 129 Ca 0.17 0.92 -0.30 0.00 -2.02 0.00 0.00 58.31 57.08 1de3 n LYS 129 Cb 0.58 -5.59 -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 -2.97 3.57 -0.25 -0.18 1.01 -1.26 -4.62 120.40 115.70 1de3 s VAL 130 Ca 0.02 -0.46 -0.33 0.00 0.00 0.00 0.00 61.98 61.21 1de3 s VAL 130 Cb -0.01 -4.27 -0.15 0.00 0.00 0.00 0.00 36.38 31.96 1de3 s VAL 130 CO 0.02 -1.20 1.05 0.33 0.00 0.00 0.00 175.10 175.30 1de3 n PHE 131 N 12.69 1.03 -0.08 5.22 7.35 -1.26 -3.25 117.46 139.15 1de3 n PHE 131 Ca 0.38 0.82 -0.08 0.00 -0.76 0.00 0.00 57.45 57.82 1de3 n PHE 131 Cb 0.48 -1.60 -0.03 0.00 0.35 0.00 0.00 39.48 38.68 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 1.51 1.69 2.90 0.00 0.00 -1.21 -4.89 105.19 105.19 1de3 n GLY 133 Ca -0.12 -0.69 -0.25 0.00 0.00 0.00 0.00 46.02 44.96 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 -2.45 0.87 0.02 -0.61 1.09 -1.26 -0.85 121.20 118.01 1de3 s ILE 134 Ca 0.00 -0.22 0.03 0.00 -1.10 0.00 0.00 60.65 59.36 1de3 s ILE 134 Cb 0.00 -0.90 -0.04 0.00 -1.06 0.00 0.00 42.46 40.46 1de3 s ILE 134 CO 0.00 0.33 -0.03 0.27 -0.10 0.00 0.00 174.94 175.41 1de3 s ILE 135 N 1.53 3.92 0.04 2.92 -5.25 0.06 0.24 121.20 124.67 1de3 s ILE 135 Ca 0.01 -0.75 -0.01 0.00 -0.99 0.00 0.00 60.65 58.91 1de3 s ILE 135 Cb -0.13 -2.75 -0.03 0.00 2.95 0.00 0.00 42.46 42.49 1de3 s ILE 135 CO -0.05 0.34 -0.01 0.00 -1.79 0.00 0.00 174.94 173.42 1de3 s ALA 136 N -1.09 0.32 -0.38 2.27 0.00 -1.13 0.43 121.76 122.18 1de3 s ALA 136 Ca 0.20 -0.96 -0.27 0.00 0.00 0.00 0.00 51.96 50.93 1de3 s ALA 136 Cb -0.11 0.24 0.02 0.00 0.00 0.00 0.00 23.12 23.27 1de3 s ALA 136 CO 0.11 -0.31 0.99 -1.01 0.00 0.00 0.00 175.76 175.53 1de3 s HIS 137 N -3.14 3.04 0.00 0.00 3.76 -1.19 -0.62 115.29 117.15 1de3 s HIS 137 Ca -0.00 0.81 -0.04 0.00 -0.15 0.00 0.00 55.06 55.68 1de3 s HIS 137 Cb 0.02 -3.80 -0.18 0.00 1.11 0.00 0.00 32.58 29.73 1de3 s HIS 137 CO -0.07 -0.91 2.86 0.25 -0.85 0.00 0.00 174.74 176.02 1de3 n THR 138 N 6.13 2.38 0.00 1.30 -2.24 -1.26 -3.89 114.28 116.70 1de3 n THR 138 Ca 0.09 -1.10 0.00 0.00 -2.27 0.00 0.00 64.05 60.77 1de3 n THR 138 Cb 0.48 -1.82 0.00 0.00 -2.10 0.00 0.00 70.33 66.89 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 2.36 0.00 0.00 -0.78 4.81 -1.23 -4.06 118.16 119.26 1de3 n LYS 139 Ca 0.29 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.73 1de3 n LYS 139 Cb 0.71 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.76 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 -1.93 1.64 1.02 0.31 -1.29 120.64 120.39 1de3 n GLU 140 Ca 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 57.16 57.11 1de3 n GLU 140 Cb 0.00 0.00 0.03 0.00 -0.02 0.00 0.00 31.44 31.45 1de3 n GLU 140 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1de3 n ASN 141 N 2.47 -0.51 -3.84 1.62 2.85 -1.26 -4.66 115.26 111.93 1de3 n ASN 141 Ca 0.00 -2.08 -0.09 0.00 -0.11 0.00 0.00 54.58 52.30 1de3 n ASN 141 Cb 0.00 0.24 -0.04 0.00 1.24 0.00 0.00 39.78 41.22 1de3 n ASN 141 CO 0.00 0.00 0.00 -1.58 -2.11 0.00 0.00 177.26 173.57 1de3 s GLN 142 N -0.50 1.42 0.00 1.20 2.00 -0.41 -4.99 119.66 118.38 1de3 s GLN 142 Ca 0.12 -1.00 0.00 0.00 -2.00 0.00 0.00 55.36 52.47 1de3 s GLN 142 Cb 0.26 0.50 0.00 0.00 0.80 0.00 0.00 33.01 34.57 1de3 s GLN 142 CO -0.08 -0.60 0.00 0.41 -0.50 0.00 0.00 175.29 174.53 1de3 n GLY 143 N -0.34 -1.36 3.74 2.59 0.00 -1.26 -3.58 105.19 104.98 1de3 n GLY 143 Ca -0.07 -1.53 -0.67 0.00 0.00 0.00 0.00 46.02 43.75 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 -0.85 0.11 -2.10 1.61 -0.58 -1.26 -4.52 120.64 113.04 1de3 n GLU 144 Ca 0.00 0.04 -0.35 0.00 -0.42 0.00 0.00 57.16 56.43 1de3 n GLU 144 Cb 0.00 -1.56 0.02 0.00 -0.57 0.00 0.00 31.44 29.33 1de3 n GLU 144 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1de3 s LEU 145 N 2.99 3.64 -0.17 -4.62 1.02 -1.26 -3.98 118.68 116.30 1de3 s LEU 145 Ca 1.04 2.14 -0.00 0.00 0.02 0.00 0.00 54.13 57.33 1de3 s LEU 145 Cb -1.46 -4.57 0.04 0.00 0.02 0.00 0.00 46.19 40.22 1de3 s LEU 145 CO 0.80 -1.36 -0.07 -0.75 0.02 0.00 0.00 176.35 174.99 1de3 s LYS 146 N -3.52 1.66 -0.65 1.70 2.20 0.21 -4.89 119.74 116.45 1de3 s LYS 146 Ca 0.71 -0.60 -0.36 0.00 -0.36 0.00 0.00 55.97 55.36 1de3 s LYS 146 Cb -0.23 -2.12 -0.17 0.00 -1.51 0.00 0.00 37.83 33.80 1de3 s LYS 146 CO 0.31 -0.41 2.38 -0.11 -0.36 0.00 0.00 175.35 177.16 1de3 n LEU 147 N 4.82 1.02 -4.31 5.43 7.94 -1.26 -2.82 117.00 127.81 1de3 n LEU 147 Ca -0.13 0.33 -0.31 0.00 -1.11 0.00 0.00 56.01 54.79 1de3 n LEU 147 Cb 0.48 -1.05 0.20 0.00 0.53 0.00 0.00 43.42 43.58 1de3 n LEU 147 CO 0.18 -0.82 -0.24 0.00 -1.11 0.00 0.00 177.39 175.39 1de3 s SER 149 N -2.01 -0.29 0.00 0.00 1.04 -0.36 -4.75 113.70 107.33 1de3 s SER 149 Ca 0.59 -0.22 0.13 0.00 0.48 0.00 0.00 55.95 56.92 1de3 s SER 149 Cb -0.15 0.48 0.10 0.00 0.10 0.00 0.00 66.02 66.55 1de3 s SER 149 CO 0.64 -0.84 0.90 0.00 0.98 0.00 0.00 173.24 174.93