#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 -4.03 -3.96 0.00 0.31 -1.26 -2.93 118.33 106.46 1de3 n VAL 2 Ca 0.00 1.80 -0.31 0.00 -0.01 0.00 0.00 64.34 65.82 1de3 n VAL 2 Cb 0.00 -2.57 -0.14 0.00 -0.91 0.00 0.00 33.84 30.22 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 -3.74 2.53 -0.66 2.52 2.01 -1.26 -2.90 115.64 114.14 1de3 s THR 3 Ca 0.00 -2.96 -0.27 0.00 0.31 0.00 0.00 61.69 58.77 1de3 s THR 3 Cb 0.00 -2.79 0.03 0.00 0.01 0.00 0.00 72.50 69.75 1de3 s THR 3 CO 0.00 -0.73 1.22 0.26 -0.69 0.00 0.00 174.62 174.67 1de3 s TRP 4 N 0.15 2.46 -0.17 4.92 0.52 0.12 -3.90 118.94 123.04 1de3 s TRP 4 Ca 0.15 0.14 -0.04 0.00 0.02 0.00 0.00 56.10 56.37 1de3 s TRP 4 Cb -0.23 -4.54 -0.03 0.00 -1.15 0.00 0.00 33.47 27.52 1de3 s TRP 4 CO -0.03 -1.81 -0.03 0.99 0.02 0.00 0.00 176.95 176.09 1de3 s THR 5 N 5.25 3.86 -0.06 2.01 2.01 -0.91 0.26 115.64 128.07 1de3 s THR 5 Ca 0.38 -0.36 0.05 0.00 0.31 0.00 0.00 61.69 62.07 1de3 s THR 5 Cb -0.08 -2.71 -0.02 0.00 0.01 0.00 0.00 72.50 69.70 1de3 s THR 5 CO 0.20 0.47 -0.21 0.00 -0.69 0.00 0.00 174.62 174.40 1de3 s LEU 7 N -0.37 6.41 0.36 0.00 1.43 -1.26 0.40 118.68 125.65 1de3 s LEU 7 Ca 0.03 -3.06 -0.02 0.00 -1.03 0.00 0.00 54.13 50.05 1de3 s LEU 7 Cb -0.12 -2.15 -0.04 0.00 0.03 0.00 0.00 46.19 43.91 1de3 s LEU 7 CO 0.02 -0.44 0.59 0.20 0.23 0.00 0.00 176.35 176.96 1de3 s ASN 8 N 1.59 6.33 -0.22 2.29 -0.87 -1.17 -4.63 114.94 118.26 1de3 s ASN 8 Ca 0.22 0.61 -0.13 0.00 -1.57 0.00 0.00 52.86 51.99 1de3 s ASN 8 Cb -0.11 -2.10 -0.04 0.00 -0.02 0.00 0.00 41.25 38.98 1de3 s ASN 8 CO -0.08 -0.32 0.29 -0.62 -2.57 0.00 0.00 177.10 173.79 1de3 s ASP 9 N -3.83 6.29 -0.13 -1.22 2.15 -1.26 -1.90 116.67 116.78 1de3 s ASP 9 Ca 0.42 0.33 0.03 0.00 0.43 0.00 0.00 52.55 53.76 1de3 s ASP 9 Cb -0.10 -2.17 0.00 0.00 -0.30 0.00 0.00 42.92 40.35 1de3 s ASP 9 CO 0.36 -0.01 -0.21 -1.10 -0.17 0.00 0.00 175.17 174.04 1de3 s GLN 10 N 1.17 3.08 -1.28 4.34 -0.21 0.24 0.49 119.66 127.50 1de3 s GLN 10 Ca 0.14 -0.84 -0.16 0.00 0.02 0.00 0.00 55.36 54.52 1de3 s GLN 10 Cb -0.14 -2.42 0.11 0.00 1.00 0.00 0.00 33.01 31.56 1de3 s GLN 10 CO 0.06 0.08 1.67 1.17 -2.12 0.00 0.00 175.29 176.16 1de3 n LYS 11 N 3.81 3.26 -1.68 2.91 4.81 -1.26 0.04 118.16 130.05 1de3 n LYS 11 Ca -0.19 -3.45 -0.56 0.00 -0.87 0.00 0.00 58.31 53.23 1de3 n LYS 11 Cb 0.52 -3.29 -0.07 0.00 0.02 0.00 0.00 35.03 32.21 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 7.02 2.22 0.14 3.14 5.15 0.56 -4.73 115.26 128.75 1de3 n ASN 12 Ca 0.44 1.08 -0.01 0.00 -0.60 0.00 0.00 54.58 55.50 1de3 n ASN 12 Cb 0.44 -1.16 0.17 0.00 -0.53 0.00 0.00 39.78 38.70 1de3 n ASN 12 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 1de3 h PRO 13 N 6.57 0.00 -0.09 1.20 0.13 -1.93 0.24 132.00 138.12 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 1.32 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.45 1de3 h PRO 13 CO 0.91 0.61 0.04 -0.22 -0.23 0.00 0.00 178.00 179.11 1de3 h LYS 14 N 0.00 0.13 -0.01 0.86 3.11 -1.96 -2.82 116.57 115.88 1de3 h LYS 14 Ca -0.01 -0.02 0.00 0.00 -2.81 0.00 0.00 60.65 57.81 1de3 h LYS 14 Cb 1.12 -0.02 0.00 0.00 -1.00 0.00 0.00 32.23 32.33 1de3 h LYS 14 CO 0.08 0.23 -0.34 0.25 -2.81 0.00 0.00 179.45 176.86 1de3 n THR 15 N -4.94 0.00 -2.72 1.00 -2.24 -1.22 -4.95 114.28 99.20 1de3 n THR 15 Ca -0.06 -0.21 -0.11 0.00 -2.27 0.00 0.00 64.05 61.41 1de3 n THR 15 Cb 0.10 0.84 -0.01 0.00 -2.10 0.00 0.00 70.33 69.16 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 -0.24 -2.61 -4.25 3.42 2.85 0.80 -4.91 115.26 110.31 1de3 n ASN 16 Ca 0.11 0.15 -0.17 0.00 -0.11 0.00 0.00 54.58 54.56 1de3 n ASN 16 Cb 0.41 -2.27 -0.11 0.00 1.24 0.00 0.00 39.78 39.06 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 -5.29 1.06 0.03 1.20 2.20 -0.86 -4.92 119.74 113.16 1de3 s LYS 17 Ca 0.11 -1.33 -0.27 0.00 -0.36 0.00 0.00 55.97 54.11 1de3 s LYS 17 Cb -0.06 -0.84 -0.05 0.00 -1.51 0.00 0.00 37.83 35.37 1de3 s LYS 17 CO 0.13 0.15 0.85 0.71 -0.36 0.00 0.00 175.35 176.83 1de3 s TYR 18 N -2.56 3.71 0.05 4.03 2.02 -1.26 -0.32 117.35 123.02 1de3 s TYR 18 Ca 0.12 1.56 0.03 0.00 -0.37 0.00 0.00 57.07 58.41 1de3 s TYR 18 Cb -0.02 -2.94 -0.03 0.00 -0.40 0.00 0.00 41.96 38.57 1de3 s TYR 18 CO 0.03 0.16 -0.10 -1.21 -1.57 0.00 0.00 175.55 172.86 1de3 s GLU 19 N 0.36 0.61 -1.01 -0.62 2.02 0.11 -4.91 118.70 115.25 1de3 s GLU 19 Ca 0.43 -0.81 -0.08 0.00 0.02 0.00 0.00 54.97 54.54 1de3 s GLU 19 Cb -0.21 -0.45 0.25 0.00 0.10 0.00 0.00 34.13 33.83 1de3 s GLU 19 CO 0.25 0.09 0.97 0.99 0.02 0.00 0.00 175.26 177.58 1de3 s THR 20 N -1.33 5.49 1.06 3.63 2.01 -1.26 0.82 115.64 126.06 1de3 s THR 20 Ca -0.08 -3.41 -0.13 0.00 0.31 0.00 0.00 61.69 58.38 1de3 s THR 20 Cb -0.10 -4.33 0.22 0.00 0.01 0.00 0.00 72.50 68.30 1de3 s THR 20 CO 0.01 -1.14 1.08 -0.54 -0.69 0.00 0.00 174.62 173.34 1de3 s LYS 21 N -1.09 -0.09 -0.47 4.92 -0.14 -0.80 -4.84 119.74 117.23 1de3 s LYS 21 Ca 0.28 0.50 -0.02 0.00 -1.36 0.00 0.00 55.97 55.38 1de3 s LYS 21 Cb -0.10 -1.68 0.13 0.00 -1.68 0.00 0.00 37.83 34.50 1de3 s LYS 21 CO -0.09 -3.08 0.27 1.03 -0.76 0.00 0.00 175.35 172.72 1de3 s ARG 22 N -4.89 2.12 -1.01 1.68 0.52 -1.26 -3.07 118.95 113.05 1de3 s ARG 22 Ca 0.66 -2.09 -0.22 0.00 -0.52 0.00 0.00 55.73 53.57 1de3 s ARG 22 Cb -0.19 -3.58 0.07 0.00 0.52 0.00 0.00 34.95 31.76 1de3 s ARG 22 CO 0.59 -1.10 1.39 -0.51 0.02 0.00 0.00 175.30 175.69 1de3 s LEU 23 N 0.67 3.85 -0.09 2.53 1.02 0.16 -4.88 118.68 121.95 1de3 s LEU 23 Ca 0.12 -1.61 -0.30 0.00 0.02 0.00 0.00 54.13 52.36 1de3 s LEU 23 Cb -0.22 -2.53 -0.02 0.00 0.02 0.00 0.00 46.19 43.44 1de3 s LEU 23 CO -0.04 -1.40 1.05 -0.22 0.02 0.00 0.00 176.35 175.76 1de3 s LEU 24 N 4.45 4.26 -0.05 1.79 1.98 -1.26 -0.15 118.68 129.70 1de3 s LEU 24 Ca 0.43 1.61 0.05 0.00 -2.89 0.00 0.00 54.13 53.33 1de3 s LEU 24 Cb -0.01 -3.56 -0.01 0.00 0.66 0.00 0.00 46.19 43.28 1de3 s LEU 24 CO -0.09 -0.47 -0.20 -0.31 -1.89 0.00 0.00 176.35 173.38 1de3 s TYR 25 N 2.01 2.00 -0.27 5.38 1.51 0.14 -4.68 117.35 123.44 1de3 s TYR 25 Ca 0.50 -0.60 -0.16 0.00 -1.01 0.00 0.00 57.07 55.81 1de3 s TYR 25 Cb -0.20 -1.33 -0.03 0.00 -0.11 0.00 0.00 41.96 40.28 1de3 s TYR 25 CO 0.19 -0.20 0.42 1.21 -1.11 0.00 0.00 175.55 176.06 1de3 s ASN 26 N -0.01 6.31 0.34 2.29 2.47 -1.26 0.15 114.94 125.23 1de3 s ASN 26 Ca -0.05 0.36 0.11 0.00 0.42 0.00 0.00 52.86 53.71 1de3 s ASN 26 Cb -0.13 -2.23 0.90 0.00 -1.45 0.00 0.00 41.25 38.34 1de3 s ASN 26 CO 0.03 -0.21 1.76 -0.61 -3.72 0.00 0.00 177.10 174.35 1de3 h GLN 27 N 8.11 0.57 -0.89 0.43 -0.00 -1.41 0.91 115.11 122.84 1de3 h GLN 27 Ca -0.31 -0.03 0.17 0.00 -0.00 0.00 0.00 58.65 58.48 1de3 h GLN 27 Cb 1.16 -0.13 -0.10 0.00 0.00 0.00 0.00 27.48 28.40 1de3 h GLN 27 CO 0.67 0.38 0.47 -0.97 0.00 0.00 0.00 178.83 179.37 1de3 h ASN 28 N 0.59 0.55 0.53 -0.69 -1.24 -1.83 0.84 115.58 114.34 1de3 h ASN 28 Ca 0.61 0.10 -0.11 0.00 0.71 0.00 0.00 56.30 57.61 1de3 h ASN 28 Cb 1.18 0.02 -0.02 0.00 0.73 0.00 0.00 38.32 40.24 1de3 h ASN 28 CO -0.39 0.20 -0.50 0.11 -1.29 0.00 0.00 177.43 175.55 1de3 h LYS 29 N 0.62 0.00 0.07 6.67 6.56 -1.20 -0.94 116.57 128.35 1de3 h LYS 29 Ca 0.50 0.00 -0.00 0.00 -1.06 0.00 0.00 60.65 60.09 1de3 h LYS 29 Cb 0.78 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.44 1de3 h LYS 29 CO -0.40 0.50 -0.03 0.00 -2.06 0.00 0.00 179.45 177.46 1de3 h ALA 30 N 1.50 -0.10 -0.94 3.86 0.00 -0.06 0.15 119.26 123.67 1de3 h ALA 30 Ca -0.01 -0.02 0.25 0.00 0.00 0.00 0.00 54.91 55.13 1de3 h ALA 30 Cb 0.91 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.68 1de3 h ALA 30 CO 0.07 -0.09 0.65 1.05 0.00 0.00 0.00 179.25 180.92 1de3 h GLU 31 N -0.99 0.17 0.18 0.00 -0.00 0.46 0.48 114.58 114.87 1de3 h GLU 31 Ca -0.01 -0.01 -0.25 0.00 -0.00 0.00 0.00 59.36 59.09 1de3 h GLU 31 Cb 0.07 -0.04 0.03 0.00 -0.00 0.00 0.00 28.75 28.81 1de3 h GLU 31 CO 0.02 0.11 -1.10 1.03 -0.00 0.00 0.00 179.01 179.07 1de3 h SER 32 N 0.18 0.66 -0.68 3.06 0.87 -1.21 -1.54 113.55 114.89 1de3 h SER 32 Ca 0.47 -0.92 -0.03 0.00 -1.23 0.00 0.00 61.79 60.09 1de3 h SER 32 Cb 1.55 -0.21 -0.03 0.00 -0.44 0.00 0.00 62.40 63.27 1de3 h SER 32 CO -0.10 1.53 0.33 0.78 -0.53 0.00 0.00 176.83 178.84 1de3 h ASN 33 N -0.10 0.89 1.42 6.23 2.35 0.10 0.94 115.58 127.42 1de3 h ASN 33 Ca -0.19 -0.10 -0.03 0.00 -0.55 0.00 0.00 56.30 55.44 1de3 h ASN 33 Cb 1.85 -0.23 -0.00 0.00 0.05 0.00 0.00 38.32 39.99 1de3 h ASN 33 CO 0.21 0.76 -0.14 0.77 -1.65 0.00 0.00 177.43 177.38 1de3 h SER 34 N 0.99 0.00 -0.01 5.81 4.64 -0.17 -2.53 113.55 122.27 1de3 h SER 34 Ca 0.24 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.56 1de3 h SER 34 Cb 0.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.19 1de3 h SER 34 CO -0.03 0.14 -0.03 1.41 -0.87 0.00 0.00 176.83 177.44 1de3 n HIS 35 N -3.19 0.00 0.41 4.77 8.25 -0.32 -3.39 115.22 121.75 1de3 n HIS 35 Ca 0.02 0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.55 1de3 n HIS 35 Cb 0.49 -0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.50 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 0.76 0.00 -3.73 4.41 -0.00 0.18 -4.98 115.22 111.86 1de3 n HIS 36 Ca 0.16 0.00 -0.34 0.00 -0.00 0.00 0.00 57.72 57.54 1de3 n HIS 36 Cb 0.49 -0.12 -0.05 0.00 -0.00 0.00 0.00 29.99 30.31 1de3 n HIS 36 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1de3 s ALA 37 N -2.57 3.83 0.39 -1.41 0.00 -0.97 -5.08 121.76 115.95 1de3 s ALA 37 Ca 0.01 -0.56 -0.25 0.00 0.00 0.00 0.00 51.96 51.16 1de3 s ALA 37 Cb 0.10 -2.09 -0.09 0.00 0.00 0.00 0.00 23.12 21.04 1de3 s ALA 37 CO 0.58 0.66 1.13 -1.25 0.00 0.00 0.00 175.76 176.88 1de3 s PRO 38 N -2.02 4.14 -1.10 0.00 0.04 -1.26 -4.94 135.00 129.86 1de3 s PRO 38 Ca 0.32 1.75 -0.18 0.00 0.04 0.00 0.00 61.00 62.93 1de3 s PRO 38 Cb -0.13 -2.70 0.11 0.00 0.04 0.00 0.00 34.50 31.82 1de3 s PRO 38 CO 0.19 -0.22 1.40 -0.51 0.04 0.00 0.00 177.00 177.90 1de3 s LEU 39 N -2.42 4.48 -0.29 -3.56 1.43 -1.26 -4.45 118.68 112.61 1de3 s LEU 39 Ca 0.56 -2.26 -0.15 0.00 -1.03 0.00 0.00 54.13 51.25 1de3 s LEU 39 Cb -0.29 -2.47 0.10 0.00 0.03 0.00 0.00 46.19 43.56 1de3 s LEU 39 CO 0.36 -1.09 0.74 -0.94 0.23 0.00 0.00 176.35 175.65 1de3 s SER 40 N 3.82 -0.90 -0.16 2.29 1.04 -1.26 -5.01 113.70 113.52 1de3 s SER 40 Ca 0.43 1.39 -0.29 0.00 0.48 0.00 0.00 55.95 57.95 1de3 s SER 40 Cb -0.01 1.55 -0.01 0.00 0.10 0.00 0.00 66.02 67.64 1de3 s SER 40 CO -0.04 -0.21 1.15 -0.62 0.98 0.00 0.00 173.24 174.50 1de3 s ASP 41 N 1.87 7.04 -0.83 7.02 2.15 -1.19 -4.16 116.67 128.57 1de3 s ASP 41 Ca -0.09 1.59 -0.02 0.00 0.43 0.00 0.00 52.55 54.46 1de3 s ASP 41 Cb -0.06 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 40.02 1de3 s ASP 41 CO -0.19 -0.67 0.64 0.61 -0.17 0.00 0.00 175.17 175.39 1de3 n GLY 42 N 3.42 -1.27 1.23 2.66 0.00 -1.18 -4.47 105.19 105.58 1de3 n GLY 42 Ca 0.12 0.56 -0.01 0.00 0.00 0.00 0.00 46.02 46.69 1de3 n GLY 42 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1de3 n LYS 43 N -2.53 0.00 -4.20 1.61 3.00 -1.26 -5.02 118.16 109.76 1de3 n LYS 43 Ca -0.22 -1.48 -0.12 0.00 -0.00 0.00 0.00 58.31 56.49 1de3 n LYS 43 Cb 0.63 0.21 -0.10 0.00 0.00 0.00 0.00 35.03 35.78 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 0.00 0.01 3.15 2.01 -1.26 -5.02 115.64 114.53 1de3 s THR 44 Ca 0.17 -2.00 -0.04 0.00 0.31 0.00 0.00 61.69 60.13 1de3 s THR 44 Cb 0.20 -2.49 -0.02 0.00 0.01 0.00 0.00 72.50 70.19 1de3 s THR 44 CO -0.09 -0.01 1.07 1.23 -0.69 0.00 0.00 174.62 176.14 1de3 h GLY 45 N 2.62 -1.05 1.60 4.40 0.00 -1.60 -1.19 103.07 107.86 1de3 h GLY 45 Ca -0.36 0.46 0.00 0.00 0.00 0.00 0.00 47.33 47.43 1de3 h GLY 45 CO 0.53 -0.38 0.00 -1.26 0.00 0.00 0.00 176.54 175.43 1de3 n SER 46 N -2.76 0.00 0.00 0.19 2.88 -0.11 -3.87 113.62 109.94 1de3 n SER 46 Ca -0.01 0.16 0.00 0.00 -1.33 0.00 0.00 58.87 57.69 1de3 n SER 46 Cb 0.05 -0.30 0.00 0.00 -0.75 0.00 0.00 64.21 63.22 1de3 n SER 46 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1de3 n SER 47 N -1.30 0.00 -4.84 -3.46 3.41 -0.45 -5.01 113.62 101.96 1de3 n SER 47 Ca 0.05 0.00 -0.37 0.00 -0.26 0.00 0.00 58.87 58.29 1de3 n SER 47 Cb 0.08 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 63.97 1de3 n SER 47 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 1de3 s TYR 48 N -3.45 3.68 0.11 7.33 2.02 -1.25 -3.06 117.35 122.73 1de3 s TYR 48 Ca 0.00 0.96 -0.30 0.00 -0.37 0.00 0.00 57.07 57.36 1de3 s TYR 48 Cb 0.00 -2.27 -0.06 0.00 -0.40 0.00 0.00 41.96 39.23 1de3 s TYR 48 CO 0.00 0.58 1.08 -1.25 -1.57 0.00 0.00 175.55 174.39 1de3 s PRO 49 N -1.43 4.57 0.69 -1.71 0.04 -1.26 -4.63 135.00 131.27 1de3 s PRO 49 Ca 0.28 1.64 -0.01 0.00 0.04 0.00 0.00 61.00 62.96 1de3 s PRO 49 Cb -0.16 -3.34 0.14 0.00 0.04 0.00 0.00 34.50 31.18 1de3 s PRO 49 CO 0.16 0.00 0.95 -2.39 0.04 0.00 0.00 177.00 175.75 1de3 n HIS 50 N 3.03 -3.02 -3.18 0.56 1.44 -1.17 -3.11 115.22 109.77 1de3 n HIS 50 Ca 0.05 -1.62 -0.39 0.00 -2.01 0.00 0.00 57.72 53.75 1de3 n HIS 50 Cb 0.47 -0.69 -0.06 0.00 0.12 0.00 0.00 29.99 29.83 1de3 n HIS 50 CO 0.00 0.00 0.00 -0.46 -2.81 0.00 0.00 176.34 173.07 1de3 s TRP 51 N -2.90 3.48 -0.77 -1.40 -0.00 -1.26 -1.57 118.94 114.50 1de3 s TRP 51 Ca 0.62 0.98 -0.16 0.00 -0.00 0.00 0.00 56.10 57.55 1de3 s TRP 51 Cb -0.03 -2.70 0.18 0.00 -0.00 0.00 0.00 33.47 30.91 1de3 s TRP 51 CO 0.41 0.02 0.77 0.12 -0.00 0.00 0.00 176.95 178.28 1de3 s PHE 52 N 1.15 3.51 0.32 5.86 5.36 0.11 -4.82 117.98 129.46 1de3 s PHE 52 Ca 0.30 -1.68 0.19 0.00 -0.96 0.00 0.00 56.93 54.78 1de3 s PHE 52 Cb -0.16 -3.91 1.15 0.00 -0.34 0.00 0.00 43.02 39.76 1de3 s PHE 52 CO 0.12 -1.10 1.32 0.25 -1.46 0.00 0.00 175.22 174.35 1de3 n THR 53 N 4.57 -0.32 -3.16 0.12 -2.24 -1.26 -4.49 114.28 107.49 1de3 n THR 53 Ca 0.08 1.66 -0.22 0.00 -2.27 0.00 0.00 64.05 63.31 1de3 n THR 53 Cb 0.46 -2.70 0.01 0.00 -2.10 0.00 0.00 70.33 65.99 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 -4.79 -4.43 0.00 3.42 4.05 -1.26 0.00 115.26 112.25 1de3 n ASN 54 Ca 0.32 -0.30 0.00 0.00 0.45 0.00 0.00 54.58 55.05 1de3 n ASN 54 Cb 1.12 -3.64 0.00 0.00 1.23 0.00 0.00 39.78 38.49 1de3 n ASN 54 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1de3 n GLY 55 N -1.23 2.28 3.80 8.20 0.00 -1.26 -4.14 105.19 112.84 1de3 n GLY 55 Ca -0.06 -0.23 -0.34 0.00 0.00 0.00 0.00 46.02 45.38 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 -0.83 3.37 0.27 1.61 2.02 0.10 -4.04 117.35 119.84 1de3 s TYR 56 Ca 0.00 1.65 -0.04 0.00 -0.37 0.00 0.00 57.07 58.31 1de3 s TYR 56 Cb 0.00 -2.91 0.06 0.00 -0.40 0.00 0.00 41.96 38.71 1de3 s TYR 56 CO 0.00 -0.15 0.37 -0.25 -1.57 0.00 0.00 175.55 173.94 1de3 n ASP 57 N -0.33 0.10 -0.08 2.29 9.92 0.20 -4.41 116.55 124.24 1de3 n ASP 57 Ca 0.06 -1.18 0.26 0.00 -0.53 0.00 0.00 54.79 53.40 1de3 n ASP 57 Cb 0.52 -0.27 0.65 0.00 -0.64 0.00 0.00 41.12 41.38 1de3 n ASP 57 CO 0.00 0.00 0.00 1.23 0.13 0.00 0.00 177.20 178.56 1de3 h GLY 58 N -0.44 0.00 0.00 0.44 0.00 -1.86 -3.24 103.07 97.97 1de3 h GLY 58 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.21 1de3 h GLY 58 CO 0.09 0.00 0.00 2.09 0.00 0.00 0.00 176.54 178.72 1de3 n ASP 59 N -3.60 0.00 -0.76 0.19 5.75 -1.26 -0.79 116.55 116.08 1de3 n ASP 59 Ca 0.16 0.00 -0.00 0.00 -0.01 0.00 0.00 54.79 54.94 1de3 n ASP 59 Cb 1.04 0.00 -0.00 0.00 -1.03 0.00 0.00 41.12 41.13 1de3 n ASP 59 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1de3 n GLY 60 N 2.85 -0.57 3.36 6.12 0.00 -1.22 -3.75 105.19 111.97 1de3 n GLY 60 Ca 0.00 -0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 1.73 0.05 1.61 -0.14 -1.26 -4.78 119.74 116.96 1de3 s LYS 61 Ca 0.00 -1.15 0.03 0.00 -1.36 0.00 0.00 55.97 53.49 1de3 s LYS 61 Cb 0.00 -1.97 -0.04 0.00 -1.68 0.00 0.00 37.83 34.14 1de3 s LYS 61 CO -0.00 0.50 0.02 -0.51 -0.76 0.00 0.00 175.35 174.60 1de3 s LEU 62 N -1.40 3.57 0.00 3.17 1.02 -1.26 0.63 118.68 124.41 1de3 s LEU 62 Ca 0.12 -0.07 0.00 0.00 0.02 0.00 0.00 54.13 54.21 1de3 s LEU 62 Cb -0.10 -2.19 0.00 0.00 0.02 0.00 0.00 46.19 43.92 1de3 s LEU 62 CO 0.03 0.22 0.00 -0.81 0.02 0.00 0.00 176.35 175.81 1de3 n PRO 63 N 0.88 0.14 -2.76 1.29 -0.04 -1.26 -4.94 135.00 128.31 1de3 n PRO 63 Ca -0.12 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 62.92 1de3 n PRO 63 Cb 0.52 0.00 -0.04 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 -1.35 3.16 0.00 0.54 2.36 -1.26 -4.02 119.74 119.17 1de3 s LYS 64 Ca 0.00 -0.58 0.00 0.00 -2.55 0.00 0.00 55.97 52.84 1de3 s LYS 64 Cb 0.00 -4.19 0.00 0.00 -1.05 0.00 0.00 37.83 32.59 1de3 s LYS 64 CO 0.00 -1.87 0.00 0.41 1.55 0.00 0.00 175.35 175.44 1de3 n GLY 65 N 5.31 0.77 3.47 5.54 0.00 -1.26 -5.14 105.19 113.89 1de3 n GLY 65 Ca -0.01 -0.70 -0.24 0.00 0.00 0.00 0.00 46.02 45.08 1de3 n GLY 65 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1de3 s ARG 66 N -2.15 1.66 -0.35 1.61 6.06 -1.26 -5.13 118.95 119.39 1de3 s ARG 66 Ca 0.00 -1.80 0.02 0.00 -2.50 0.00 0.00 55.73 51.45 1de3 s ARG 66 Cb 0.00 -1.60 0.15 0.00 0.06 0.00 0.00 34.95 33.56 1de3 s ARG 66 CO 0.00 0.22 0.33 -0.08 -2.50 0.00 0.00 175.30 173.28 1de3 s THR 67 N -2.65 -0.28 -0.52 4.11 -1.32 -1.26 -5.06 115.64 108.66 1de3 s THR 67 Ca 0.30 -0.98 -0.28 0.00 -1.21 0.00 0.00 61.69 59.52 1de3 s THR 67 Cb -0.01 -0.81 0.01 0.00 -1.51 0.00 0.00 72.50 70.17 1de3 s THR 67 CO 0.14 -0.62 1.51 -2.16 -2.21 0.00 0.00 174.62 171.28 1de3 s PRO 68 N 1.60 3.27 -0.49 7.08 0.04 -1.26 -4.60 135.00 140.63 1de3 s PRO 68 Ca 0.15 0.66 -0.43 0.00 0.04 0.00 0.00 61.00 61.42 1de3 s PRO 68 Cb -0.16 -4.15 -0.19 0.00 0.04 0.00 0.00 34.50 30.05 1de3 s PRO 68 CO -0.10 -1.97 2.09 -0.89 0.04 0.00 0.00 177.00 176.18 1de3 n ILE 69 N 7.00 0.00 -2.78 0.56 5.41 -1.26 -4.81 119.36 123.47 1de3 n ILE 69 Ca 0.15 0.00 -0.43 0.00 1.00 0.00 0.00 62.75 63.47 1de3 n ILE 69 Cb 0.49 -0.49 -0.03 0.00 -0.71 0.00 0.00 39.64 38.90 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 5.87 3.44 0.15 0.38 2.36 -1.26 -4.84 119.74 125.84 1de3 s LYS 70 Ca 1.17 -1.22 -0.12 0.00 -2.55 0.00 0.00 55.97 53.25 1de3 s LYS 70 Cb -1.47 -4.79 0.03 0.00 -1.05 0.00 0.00 37.83 30.55 1de3 s LYS 70 CO 0.64 -1.93 1.63 0.74 1.55 0.00 0.00 175.35 177.98 1de3 h PHE 71 N 9.38 0.95 0.00 4.03 -1.00 -1.93 -3.48 116.94 124.89 1de3 h PHE 71 Ca 0.02 -0.15 0.00 0.00 2.81 0.00 0.00 57.97 60.65 1de3 h PHE 71 Cb 1.03 -0.25 0.00 0.00 3.61 0.00 0.00 35.95 40.34 1de3 h PHE 71 CO 1.14 0.87 0.00 0.41 -1.61 0.00 0.00 178.31 179.12 1de3 n GLY 72 N -0.47 1.91 0.00 -1.45 0.00 -1.26 -5.11 105.19 98.80 1de3 n GLY 72 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1de3 n GLY 72 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1de3 n LYS 73 N -0.66 1.68 -0.01 1.61 4.76 -1.26 -5.08 118.16 119.20 1de3 n LYS 73 Ca 0.00 0.00 -0.05 0.00 -2.87 0.00 0.00 58.31 55.39 1de3 n LYS 73 Cb 0.00 0.00 -0.02 0.00 -1.84 0.00 0.00 35.03 33.17 1de3 n LYS 73 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90 1de3 n SER 74 N -1.89 0.57 0.08 4.39 3.41 -1.26 -4.22 113.62 114.69 1de3 n SER 74 Ca 0.00 0.09 -0.08 0.00 -0.26 0.00 0.00 58.87 58.62 1de3 n SER 74 Cb 0.00 -0.21 -0.07 0.00 -0.26 0.00 0.00 64.21 63.67 1de3 n SER 74 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1de3 h ASP 75 N -0.19 0.10 1.13 4.04 3.32 -1.99 0.17 116.42 123.00 1de3 h ASP 75 Ca -0.10 -0.09 -0.11 0.00 0.02 0.00 0.00 57.03 56.75 1de3 h ASP 75 Cb 0.91 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 40.41 1de3 h ASP 75 CO -0.06 1.01 -0.50 0.00 -1.72 0.00 0.00 179.24 177.96 1de3 h ASP 77 N 0.00 0.00 -3.73 0.00 3.58 -1.68 -3.48 116.42 111.11 1de3 h ASP 77 Ca -0.01 -0.14 -0.50 0.00 0.42 0.00 0.00 57.03 56.80 1de3 h ASP 77 Cb 1.20 0.00 0.21 0.00 1.72 0.00 0.00 39.33 42.46 1de3 h ASP 77 CO 0.07 0.07 -0.10 -2.11 -2.88 0.00 0.00 179.24 174.28 1de3 n ARG 78 N -2.34 -0.90 -2.32 0.28 1.85 0.57 -4.93 116.66 108.87 1de3 n ARG 78 Ca 0.02 -0.21 -0.43 0.00 -1.00 0.00 0.00 57.85 56.23 1de3 n ARG 78 Cb 0.48 -2.17 -0.02 0.00 -1.05 0.00 0.00 32.46 29.70 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 -4.28 4.10 -0.40 2.89 0.04 -1.26 -4.96 135.00 131.13 1de3 s PRO 79 Ca 0.64 1.65 -0.29 0.00 0.04 0.00 0.00 61.00 63.05 1de3 s PRO 79 Cb -0.22 -3.86 0.01 0.00 0.04 0.00 0.00 34.50 30.47 1de3 s PRO 79 CO 0.62 -0.89 1.47 -1.25 0.04 0.00 0.00 177.00 176.98 1de3 s PRO 80 N 3.88 3.54 -1.28 0.56 0.04 -1.25 -4.93 135.00 135.57 1de3 s PRO 80 Ca 0.60 1.01 -0.12 0.00 0.04 0.00 0.00 61.00 62.52 1de3 s PRO 80 Cb -0.23 -4.05 0.15 0.00 0.04 0.00 0.00 34.50 30.41 1de3 s PRO 80 CO 0.21 -1.60 1.74 1.17 0.04 0.00 0.00 177.00 178.55 1de3 n LYS 81 N 8.12 3.41 -2.70 4.56 4.81 -1.12 -4.21 118.16 131.03 1de3 n LYS 81 Ca 0.17 -3.52 -0.42 0.00 -0.87 0.00 0.00 58.31 53.67 1de3 n LYS 81 Cb 0.48 -3.06 -0.03 0.00 0.02 0.00 0.00 35.03 32.44 1de3 n LYS 81 CO 0.00 0.00 0.00 -1.58 1.17 0.00 0.00 177.40 176.99 1de3 s HIS 82 N 1.49 3.50 0.00 5.64 5.65 0.03 -3.16 115.29 128.43 1de3 s HIS 82 Ca 0.43 1.56 0.00 0.00 0.25 0.00 0.00 55.06 57.30 1de3 s HIS 82 Cb 0.05 -3.18 0.00 0.00 -1.18 0.00 0.00 32.58 28.27 1de3 s HIS 82 CO 0.00 -0.24 0.00 0.45 -0.65 0.00 0.00 174.74 174.30 1de3 n SER 83 N 5.10 0.00 0.00 9.88 2.88 -1.26 -4.44 113.62 125.78 1de3 n SER 83 Ca 0.09 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.50 1de3 n SER 83 Cb 0.49 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.86 1de3 n SER 83 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 1de3 h LYS 84 N 0.00 0.01 -0.21 -1.46 1.79 -1.97 -3.30 116.57 111.43 1de3 h LYS 84 Ca 0.00 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1de3 h LYS 84 Cb 0.00 -0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 1de3 h LYS 84 CO 0.00 0.33 0.00 -0.40 -1.08 0.00 0.00 179.45 178.30 1de3 n ASP 85 N -4.93 2.79 -3.68 0.86 5.68 -1.26 -4.98 116.55 111.03 1de3 n ASP 85 Ca -0.08 -2.24 -0.25 0.00 -0.50 0.00 0.00 54.79 51.72 1de3 n ASP 85 Cb 0.18 -0.23 0.03 0.00 -1.14 0.00 0.00 41.12 39.96 1de3 n ASP 85 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1de3 n GLY 86 N -0.07 -0.62 1.58 6.12 0.00 -1.24 -3.20 105.19 107.76 1de3 n GLY 86 Ca 0.10 0.30 -0.01 0.00 0.00 0.00 0.00 46.02 46.41 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 -2.93 0.02 -3.40 1.61 6.94 -1.26 -3.47 115.26 112.77 1de3 n ASN 87 Ca -0.20 -2.03 0.00 0.00 -0.02 0.00 0.00 54.58 52.33 1de3 n ASN 87 Cb 0.64 0.02 0.00 0.00 -2.36 0.00 0.00 39.78 38.08 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 -0.04 -1.74 0.20 4.83 0.00 -1.26 -4.93 105.19 102.25 1de3 n GLY 88 Ca -0.10 -1.44 0.01 0.00 0.00 0.00 0.00 46.02 44.49 1de3 n GLY 88 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1de3 h LYS 89 N 0.00 0.16 -0.65 1.61 -0.00 -2.00 -3.36 116.57 112.33 1de3 h LYS 89 Ca 0.00 -0.06 -0.33 0.00 -0.00 0.00 0.00 60.65 60.26 1de3 h LYS 89 Cb 0.00 -0.01 -0.22 0.00 -0.00 0.00 0.00 32.23 32.00 1de3 h LYS 89 CO 0.00 0.48 -0.69 0.25 -0.00 0.00 0.00 179.45 179.49 1de3 n THR 90 N -4.11 -0.17 -1.82 0.07 -2.24 -1.26 -5.03 114.28 99.72 1de3 n THR 90 Ca -0.01 -2.37 -0.40 0.00 -2.27 0.00 0.00 64.05 58.99 1de3 n THR 90 Cb 0.40 0.55 -0.01 0.00 -2.10 0.00 0.00 70.33 69.18 1de3 n THR 90 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1de3 n ASP 91 N 1.18 7.65 -3.53 3.42 5.75 -1.26 -4.76 116.55 125.00 1de3 n ASP 91 Ca 0.13 -2.95 -0.41 0.00 -0.01 0.00 0.00 54.79 51.55 1de3 n ASP 91 Cb 0.63 -1.45 -0.01 0.00 -1.03 0.00 0.00 41.12 39.25 1de3 n ASP 91 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1de3 n HIS 92 N 2.81 2.94 -3.63 2.11 1.44 -1.19 -4.80 115.22 114.90 1de3 n HIS 92 Ca 0.64 -3.02 -0.26 0.00 -2.01 0.00 0.00 57.72 53.07 1de3 n HIS 92 Cb 0.26 -2.46 -0.03 0.00 0.12 0.00 0.00 29.99 27.89 1de3 n HIS 92 CO 0.00 0.00 0.00 1.52 -2.81 0.00 0.00 176.34 175.05 1de3 s TYR 93 N 2.34 3.48 -0.45 -1.40 -0.85 -1.26 -2.80 117.35 116.41 1de3 s TYR 93 Ca 0.58 0.34 -0.26 0.00 -0.52 0.00 0.00 57.07 57.21 1de3 s TYR 93 Cb 0.16 -1.86 0.03 0.00 0.38 0.00 0.00 41.96 40.66 1de3 s TYR 93 CO -0.07 0.32 0.95 -0.51 -1.52 0.00 0.00 175.55 174.72 1de3 s LEU 94 N -3.55 3.97 0.47 -3.49 1.43 -1.26 -3.80 118.68 112.44 1de3 s LEU 94 Ca 0.39 0.23 -0.10 0.00 -1.03 0.00 0.00 54.13 53.61 1de3 s LEU 94 Cb -0.11 -3.24 -0.06 0.00 0.03 0.00 0.00 46.19 42.82 1de3 s LEU 94 CO 0.30 -1.04 0.84 -0.76 0.23 0.00 0.00 176.35 175.92 1de3 s LEU 95 N 3.78 3.68 -0.35 1.79 1.02 -0.02 0.08 118.68 128.65 1de3 s LEU 95 Ca 0.38 1.18 -0.01 0.00 0.02 0.00 0.00 54.13 55.71 1de3 s LEU 95 Cb -0.10 -4.11 0.12 0.00 0.02 0.00 0.00 46.19 42.13 1de3 s LEU 95 CO 0.26 -0.53 0.18 -0.70 0.02 0.00 0.00 176.35 175.58 1de3 s GLU 96 N -4.26 0.66 0.05 1.70 2.12 -0.61 -3.15 118.70 115.21 1de3 s GLU 96 Ca 0.52 -1.26 -0.23 0.00 0.36 0.00 0.00 54.97 54.36 1de3 s GLU 96 Cb -0.10 -1.61 -0.06 0.00 0.26 0.00 0.00 34.13 32.62 1de3 s GLU 96 CO 0.37 -1.12 0.69 0.12 -0.54 0.00 0.00 175.26 174.78 1de3 s PHE 97 N 1.23 3.76 -1.05 5.30 2.19 -0.88 -3.80 117.98 124.73 1de3 s PHE 97 Ca 0.15 1.39 -0.23 0.00 0.33 0.00 0.00 56.93 58.57 1de3 s PHE 97 Cb -0.21 -2.71 0.02 0.00 -1.31 0.00 0.00 43.02 38.81 1de3 s PHE 97 CO -0.12 0.37 1.66 -1.25 1.83 0.00 0.00 175.22 177.72 1de3 s PRO 98 N -0.40 3.29 0.48 10.12 0.04 -1.26 -0.40 135.00 146.88 1de3 s PRO 98 Ca 0.35 -1.05 -0.21 0.00 0.04 0.00 0.00 61.00 60.13 1de3 s PRO 98 Cb -0.20 -5.30 -0.08 0.00 0.04 0.00 0.00 34.50 28.96 1de3 s PRO 98 CO 0.21 -2.67 1.06 -0.08 0.04 0.00 0.00 177.00 175.56 1de3 s THR 99 N 6.69 3.64 0.11 1.26 -1.32 -1.16 -4.79 115.64 120.07 1de3 s THR 99 Ca 0.55 1.07 0.10 0.00 -1.21 0.00 0.00 61.69 62.20 1de3 s THR 99 Cb -0.01 -3.46 -0.04 0.00 -1.51 0.00 0.00 72.50 67.48 1de3 s THR 99 CO -0.03 -0.17 -0.22 -0.36 -2.21 0.00 0.00 174.62 171.63 1de3 s PHE 100 N -1.87 2.44 0.04 9.09 0.40 -1.26 -4.58 117.98 122.24 1de3 s PHE 100 Ca 0.66 -0.31 -0.17 0.00 -0.60 0.00 0.00 56.93 56.51 1de3 s PHE 100 Cb -0.19 -1.32 -0.22 0.00 0.51 0.00 0.00 43.02 41.80 1de3 s PHE 100 CO 0.23 0.35 1.15 -1.00 0.70 0.00 0.00 175.22 176.65 1de3 h PRO 101 N 3.88 0.53 -1.38 0.24 0.13 -1.92 -3.16 132.00 130.32 1de3 h PRO 101 Ca -0.50 -0.55 0.42 0.00 -0.87 0.00 0.00 66.00 64.50 1de3 h PRO 101 Cb 1.17 0.15 -0.10 0.00 0.13 0.00 0.00 31.00 32.35 1de3 h PRO 101 CO 0.43 1.18 0.94 -0.44 -0.23 0.00 0.00 178.00 179.88 1de3 h ASP 102 N 0.11 0.18 0.00 1.44 5.19 -1.97 -3.45 116.42 117.92 1de3 h ASP 102 Ca -0.09 0.07 0.00 0.00 -0.62 0.00 0.00 57.03 56.40 1de3 h ASP 102 Cb 1.42 0.06 0.00 0.00 0.18 0.00 0.00 39.33 40.99 1de3 h ASP 102 CO 0.15 -0.07 0.00 0.61 -3.12 0.00 0.00 179.24 176.81 1de3 n GLY 103 N -1.64 0.81 3.85 2.75 0.00 -1.20 -5.06 105.19 104.69 1de3 n GLY 103 Ca 0.34 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.05 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 -2.12 3.43 -1.07 1.61 -3.43 -1.26 -4.97 115.29 107.47 1de3 s HIS 104 Ca 0.00 1.36 -0.10 0.00 -0.80 0.00 0.00 55.06 55.52 1de3 s HIS 104 Cb 0.00 -2.79 0.26 0.00 -1.43 0.00 0.00 32.58 28.62 1de3 s HIS 104 CO 0.00 -0.82 1.08 0.16 -2.00 0.00 0.00 174.74 173.16 1de3 s ASP 105 N -3.84 7.21 0.20 7.38 -4.77 -1.26 -4.49 116.67 117.10 1de3 s ASP 105 Ca 0.57 -3.40 -0.18 0.00 -3.30 0.00 0.00 52.55 46.25 1de3 s ASP 105 Cb -0.12 -2.22 -0.11 0.00 -1.09 0.00 0.00 42.92 39.37 1de3 s ASP 105 CO 0.50 -0.37 0.24 0.00 0.70 0.00 0.00 175.17 176.24 1de3 n TYR 106 N 3.14 -0.81 -0.99 2.11 9.36 -1.26 -4.69 117.16 124.01 1de3 n TYR 106 Ca 0.23 0.58 -0.43 0.00 3.32 0.00 0.00 57.90 61.60 1de3 n TYR 106 Cb 0.41 -1.32 -0.08 0.00 -0.63 0.00 0.00 39.34 37.72 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 0.80 1.00 0.02 2.98 0.00 -1.26 -4.60 118.16 117.09 1de3 n LYS 107 Ca 0.11 -1.60 0.08 0.00 -0.00 0.00 0.00 58.31 56.89 1de3 n LYS 107 Cb 0.22 -2.84 0.35 0.00 -0.00 0.00 0.00 35.03 32.75 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 8.56 0.14 0.85 5.58 1.16 -1.26 -1.27 117.46 131.22 1de3 n PHE 108 Ca 0.48 0.05 0.10 0.00 -1.87 0.00 0.00 57.45 56.22 1de3 n PHE 108 Cb 0.41 -0.59 0.09 0.00 -1.61 0.00 0.00 39.48 37.78 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 -1.63 2.73 -4.48 5.98 -0.08 -1.26 -0.94 116.55 116.88 1de3 n ASP 109 Ca 0.03 -1.86 -0.43 0.00 -1.51 0.00 0.00 54.79 51.02 1de3 n ASP 109 Cb 0.18 -0.00 -0.03 0.00 2.34 0.00 0.00 41.12 43.61 1de3 n ASP 109 CO 0.00 0.00 0.00 -0.44 0.12 0.00 0.00 177.20 176.88 1de3 s SER 110 N -1.72 6.46 0.02 1.67 0.01 -0.40 -3.31 113.70 116.43 1de3 s SER 110 Ca 0.24 -1.55 -0.15 0.00 1.31 0.00 0.00 55.95 55.79 1de3 s SER 110 Cb 0.17 -2.45 -0.09 0.00 0.21 0.00 0.00 66.02 63.87 1de3 s SER 110 CO 0.26 -1.30 1.16 0.50 0.41 0.00 0.00 173.24 174.27 1de3 h LYS 111 N 9.30 -0.54 -4.02 12.44 3.64 -1.87 -3.07 116.57 132.45 1de3 h LYS 111 Ca 0.02 0.04 -0.50 0.00 -1.27 0.00 0.00 60.65 58.94 1de3 h LYS 111 Cb 1.03 0.12 -0.37 0.00 -0.41 0.00 0.00 32.23 32.60 1de3 h LYS 111 CO 1.20 -0.36 -0.79 0.21 -2.27 0.00 0.00 179.45 177.45 1de3 s LYS 112 N -4.10 1.17 1.05 1.90 2.36 -1.26 -3.51 119.74 117.35 1de3 s LYS 112 Ca -0.08 -0.15 -0.18 0.00 -2.55 0.00 0.00 55.97 53.01 1de3 s LYS 112 Cb 0.01 -1.41 0.25 0.00 -1.05 0.00 0.00 37.83 35.63 1de3 s LYS 112 CO 0.24 -0.30 1.30 -1.25 1.55 0.00 0.00 175.35 176.90 1de3 s PRO 113 N 1.80 -0.10 -0.28 4.03 0.04 -1.26 -5.17 135.00 134.06 1de3 s PRO 113 Ca 0.05 -0.46 -0.00 0.00 0.04 0.00 0.00 61.00 60.62 1de3 s PRO 113 Cb -0.13 -1.76 0.14 0.00 0.04 0.00 0.00 34.50 32.79 1de3 s PRO 113 CO -0.07 -2.90 0.33 0.21 0.04 0.00 0.00 177.00 174.61 1de3 s LYS 114 N -5.87 0.35 0.41 4.56 2.20 -1.23 -4.72 119.74 115.44 1de3 s LYS 114 Ca 0.76 0.04 -0.26 0.00 -0.36 0.00 0.00 55.97 56.15 1de3 s LYS 114 Cb -0.03 -0.56 -0.08 0.00 -1.51 0.00 0.00 37.83 35.64 1de3 s LYS 114 CO 0.54 -0.96 1.28 -2.00 -0.36 0.00 0.00 175.35 173.85 1de3 s GLU 115 N 2.44 3.93 0.19 4.03 2.12 -1.26 -4.95 118.70 125.20 1de3 s GLU 115 Ca 0.10 2.11 -0.31 0.00 0.36 0.00 0.00 54.97 57.22 1de3 s GLU 115 Cb -0.14 -2.71 -0.16 0.00 0.26 0.00 0.00 34.13 31.38 1de3 s GLU 115 CO -0.29 -0.51 0.93 -1.71 -0.54 0.00 0.00 175.26 173.15 1de3 n ASN 116 N 0.05 0.46 -3.62 -1.70 2.85 -1.26 -4.96 115.26 107.08 1de3 n ASN 116 Ca 0.04 1.15 -0.30 0.00 -0.11 0.00 0.00 54.58 55.36 1de3 n ASN 116 Cb 0.44 -1.13 0.25 0.00 1.24 0.00 0.00 39.78 40.59 1de3 n ASN 116 CO 0.00 0.00 0.00 -2.16 -2.11 0.00 0.00 177.26 172.99 1de3 s PRO 117 N -0.81 -1.54 0.52 1.20 0.04 -1.26 -5.07 135.00 128.07 1de3 s PRO 117 Ca 0.69 -0.21 -0.05 0.00 0.04 0.00 0.00 61.00 61.47 1de3 s PRO 117 Cb -0.88 -1.57 -0.02 0.00 0.04 0.00 0.00 34.50 32.07 1de3 s PRO 117 CO 0.56 -3.90 0.82 0.20 0.04 0.00 0.00 177.00 174.72 1de3 s GLY 118 N -4.03 1.54 -0.06 0.56 0.00 -1.26 -5.05 107.32 99.02 1de3 s GLY 118 Ca 0.72 -0.59 -0.25 0.00 0.00 0.00 0.00 44.72 44.60 1de3 s GLY 118 CO 0.56 -0.38 1.02 -0.56 0.00 0.00 0.00 173.10 173.74 1de3 h PRO 119 N 0.10 -0.05 -6.38 2.90 0.13 -1.87 -3.44 132.00 123.38 1de3 h PRO 119 Ca -0.46 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.13 1de3 h PRO 119 Cb 1.22 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.34 1de3 h PRO 119 CO 0.61 0.55 0.37 0.00 -0.23 0.00 0.00 178.00 179.30 1de3 s ALA 120 N -3.56 3.18 0.05 -0.56 0.00 -1.26 -3.34 121.76 116.28 1de3 s ALA 120 Ca -0.16 0.51 0.05 0.00 0.00 0.00 0.00 51.96 52.36 1de3 s ALA 120 Cb 0.00 -3.33 -0.02 0.00 0.00 0.00 0.00 23.12 19.77 1de3 s ALA 120 CO 0.62 -0.25 -0.14 1.03 0.00 0.00 0.00 175.76 177.03 1de3 s ARG 121 N 1.06 0.89 -0.02 0.00 0.52 0.17 -3.00 118.95 118.57 1de3 s ARG 121 Ca 0.51 -0.80 -0.20 0.00 -0.52 0.00 0.00 55.73 54.72 1de3 s ARG 121 Cb -0.21 -0.89 -0.05 0.00 0.52 0.00 0.00 34.95 34.32 1de3 s ARG 121 CO 0.27 0.21 0.59 0.54 0.02 0.00 0.00 175.30 176.93 1de3 s VAL 122 N -0.96 4.95 -0.07 3.52 0.11 0.47 -0.59 120.40 127.84 1de3 s VAL 122 Ca 0.00 1.22 0.02 0.00 -2.93 0.00 0.00 61.98 60.29 1de3 s VAL 122 Cb -0.08 -3.92 -0.03 0.00 -1.53 0.00 0.00 36.38 30.82 1de3 s VAL 122 CO 0.01 0.40 -0.10 -0.63 -3.33 0.00 0.00 175.10 171.45 1de3 s ILE 123 N -0.04 3.41 -0.26 7.04 -1.09 -0.20 -2.06 121.20 128.00 1de3 s ILE 123 Ca 0.31 -0.59 -0.28 0.00 -2.23 0.00 0.00 60.65 57.86 1de3 s ILE 123 Cb -0.18 -2.38 0.17 0.00 -1.58 0.00 0.00 42.46 38.49 1de3 s ILE 123 CO 0.16 0.59 1.25 -0.72 -1.23 0.00 0.00 174.94 174.99 1de3 s TYR 124 N -0.64 -0.18 0.00 3.97 1.13 -1.19 -0.95 117.35 119.49 1de3 s TYR 124 Ca 0.09 0.37 0.00 0.00 -1.41 0.00 0.00 57.07 56.13 1de3 s TYR 124 Cb -0.11 0.46 0.00 0.00 -1.10 0.00 0.00 41.96 41.21 1de3 s TYR 124 CO 0.01 -0.13 0.00 0.25 -2.51 0.00 0.00 175.55 173.17 1de3 n THR 125 N 1.07 0.00 -3.60 -3.49 -2.24 -1.25 -0.84 114.28 103.93 1de3 n THR 125 Ca -0.07 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.63 1de3 n THR 125 Cb 0.58 -1.61 -0.05 0.00 -2.10 0.00 0.00 70.33 67.14 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 0.17 -0.29 -2.00 4.78 6.14 -1.25 -2.42 117.35 122.48 1de3 s TYR 126 Ca 0.00 0.54 0.23 0.00 0.64 0.00 0.00 57.07 58.48 1de3 s TYR 126 Cb 0.00 0.45 1.38 0.00 0.42 0.00 0.00 41.96 44.22 1de3 s TYR 126 CO 0.00 -0.25 1.77 -0.35 0.64 0.00 0.00 175.55 177.36 1de3 n PRO 127 N 0.86 0.77 -0.18 4.97 -0.04 -1.26 -4.36 135.00 135.76 1de3 n PRO 127 Ca -0.08 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.37 1de3 n PRO 127 Cb 0.58 -1.47 0.09 0.00 -0.04 0.00 0.00 33.50 32.66 1de3 n PRO 127 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 1de3 h ASN 128 N 0.00 0.15 -5.63 3.54 2.35 -2.00 -3.45 115.58 110.53 1de3 h ASN 128 Ca 0.00 0.08 -0.41 0.00 -0.55 0.00 0.00 56.30 55.42 1de3 h ASN 128 Cb 0.00 0.08 0.11 0.00 0.05 0.00 0.00 38.32 38.56 1de3 h ASN 128 CO 0.00 0.10 -0.67 0.29 -1.65 0.00 0.00 177.43 175.50 1de3 n LYS 129 N -5.03 -7.29 -2.00 0.81 5.02 -1.02 -4.86 118.16 103.79 1de3 n LYS 129 Ca 0.07 0.83 -0.26 0.00 -2.02 0.00 0.00 58.31 56.93 1de3 n LYS 129 Cb 0.25 -5.84 -0.06 0.00 -0.02 0.00 0.00 35.03 29.36 1de3 n LYS 129 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1de3 s VAL 130 N -3.29 3.44 -0.39 -0.18 1.01 -1.26 -4.66 120.40 115.06 1de3 s VAL 130 Ca 0.54 -0.59 -0.40 0.00 0.00 0.00 0.00 61.98 61.54 1de3 s VAL 130 Cb -0.24 -4.21 -0.16 0.00 0.00 0.00 0.00 36.38 31.77 1de3 s VAL 130 CO 0.67 -0.86 2.02 0.33 0.00 0.00 0.00 175.10 177.26 1de3 n PHE 131 N 14.83 1.59 -0.06 5.22 7.35 -1.26 -3.75 117.46 141.37 1de3 n PHE 131 Ca 0.43 0.57 -0.03 0.00 -0.76 0.00 0.00 57.45 57.66 1de3 n PHE 131 Cb 0.47 -2.41 -0.01 0.00 0.35 0.00 0.00 39.48 37.87 1de3 n PHE 131 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1de3 n GLY 133 N 1.67 1.75 2.88 0.00 0.00 -1.21 -5.04 105.19 105.25 1de3 n GLY 133 Ca -0.05 -0.48 -0.22 0.00 0.00 0.00 0.00 46.02 45.27 1de3 n GLY 133 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1de3 s ILE 134 N -1.64 0.64 -0.01 -0.61 1.09 -1.26 -1.03 121.20 118.38 1de3 s ILE 134 Ca 0.00 -0.12 0.06 0.00 -1.10 0.00 0.00 60.65 59.49 1de3 s ILE 134 Cb 0.00 -0.68 -0.03 0.00 -1.06 0.00 0.00 42.46 40.69 1de3 s ILE 134 CO 0.00 0.27 -0.19 0.27 -0.10 0.00 0.00 174.94 175.19 1de3 s ILE 135 N 1.31 2.65 0.12 2.92 -4.36 0.24 -0.25 121.20 123.83 1de3 s ILE 135 Ca -0.04 -0.98 0.00 0.00 -0.26 0.00 0.00 60.65 59.37 1de3 s ILE 135 Cb -0.14 -2.02 -0.04 0.00 1.25 0.00 0.00 42.46 41.51 1de3 s ILE 135 CO -0.02 0.52 -0.00 0.00 0.24 0.00 0.00 174.94 175.67 1de3 s ALA 136 N -0.75 0.96 -0.18 2.27 0.00 -0.25 0.44 121.76 124.26 1de3 s ALA 136 Ca 0.12 -1.43 -0.22 0.00 0.00 0.00 0.00 51.96 50.42 1de3 s ALA 136 Cb -0.10 0.51 -0.02 0.00 0.00 0.00 0.00 23.12 23.50 1de3 s ALA 136 CO 0.01 -0.36 0.69 -1.01 0.00 0.00 0.00 175.76 175.10 1de3 s HIS 137 N -3.82 3.41 -0.06 0.00 3.76 -1.21 0.42 115.29 117.79 1de3 s HIS 137 Ca 0.18 1.05 -0.03 0.00 -0.15 0.00 0.00 55.06 56.12 1de3 s HIS 137 Cb 0.07 -2.86 -0.09 0.00 1.11 0.00 0.00 32.58 30.81 1de3 s HIS 137 CO -0.01 -0.17 2.72 0.25 -0.85 0.00 0.00 174.74 176.68 1de3 n THR 138 N 4.61 2.57 0.00 1.30 -2.24 -1.25 -3.92 114.28 115.34 1de3 n THR 138 Ca 0.00 -1.18 0.00 0.00 -2.27 0.00 0.00 64.05 60.61 1de3 n THR 138 Cb 0.50 -1.70 0.00 0.00 -2.10 0.00 0.00 70.33 67.03 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 1.77 0.00 0.00 -0.78 4.81 -1.24 -4.20 118.16 118.51 1de3 n LYS 139 Ca 0.23 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.67 1de3 n LYS 139 Cb 0.68 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.73 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 -1.35 1.64 -0.58 0.18 -1.39 120.64 119.14 1de3 n GLU 140 Ca 0.00 0.00 -0.03 0.00 -0.42 0.00 0.00 57.16 56.71 1de3 n GLU 140 Cb 0.00 0.00 -0.02 0.00 -0.57 0.00 0.00 31.44 30.85 1de3 n GLU 140 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1de3 n ASN 141 N 3.56 -0.37 -3.74 1.62 4.13 -1.26 -4.65 115.26 114.55 1de3 n ASN 141 Ca 0.00 -2.02 -0.10 0.00 1.68 0.00 0.00 54.58 54.14 1de3 n ASN 141 Cb 0.00 0.13 -0.06 0.00 -1.54 0.00 0.00 39.78 38.31 1de3 n ASN 141 CO 0.00 0.00 0.00 -1.10 0.28 0.00 0.00 177.26 176.44 1de3 s GLN 142 N -0.14 0.97 0.00 3.52 -0.21 -0.49 -4.97 119.66 118.34 1de3 s GLN 142 Ca 0.11 -0.83 0.00 0.00 0.02 0.00 0.00 55.36 54.66 1de3 s GLN 142 Cb 0.16 0.41 0.00 0.00 1.00 0.00 0.00 33.01 34.58 1de3 s GLN 142 CO -0.06 -0.35 0.00 0.41 -2.12 0.00 0.00 175.29 173.17 1de3 n GLY 143 N -0.15 -0.37 3.71 3.09 0.00 -1.26 -3.72 105.19 106.48 1de3 n GLY 143 Ca -0.15 -1.70 -0.66 0.00 0.00 0.00 0.00 46.02 43.50 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 -0.26 0.02 -2.21 1.61 4.71 -1.26 -4.64 120.64 118.61 1de3 n GLU 144 Ca 0.00 0.01 -0.43 0.00 -0.01 0.00 0.00 57.16 56.73 1de3 n GLU 144 Cb 0.00 -1.51 -0.02 0.00 -1.01 0.00 0.00 31.44 28.90 1de3 n GLU 144 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 1de3 s LEU 145 N 2.51 3.72 -0.03 -4.62 1.02 -1.26 -3.84 118.68 116.18 1de3 s LEU 145 Ca 1.03 1.26 -0.27 0.00 0.02 0.00 0.00 54.13 56.16 1de3 s LEU 145 Cb -1.46 -3.53 -0.03 0.00 0.02 0.00 0.00 46.19 41.19 1de3 s LEU 145 CO 0.78 -1.37 0.85 -0.75 0.02 0.00 0.00 176.35 175.88 1de3 s LYS 146 N 4.86 4.50 -0.42 1.70 2.20 0.17 -4.77 119.74 127.98 1de3 s LYS 146 Ca 0.68 1.17 -0.27 0.00 -0.36 0.00 0.00 55.97 57.18 1de3 s LYS 146 Cb -0.20 -3.46 -0.03 0.00 -1.51 0.00 0.00 37.83 32.64 1de3 s LYS 146 CO 0.30 -0.00 1.96 -1.17 -0.36 0.00 0.00 175.35 176.08 1de3 s LEU 147 N 0.92 3.42 1.03 5.43 2.96 -1.26 -1.09 118.68 130.09 1de3 s LEU 147 Ca 0.45 1.09 -0.17 0.00 -0.22 0.00 0.00 54.13 55.28 1de3 s LEU 147 Cb -0.19 -3.10 0.03 0.00 0.50 0.00 0.00 46.19 43.43 1de3 s LEU 147 CO 0.23 -2.10 -0.03 0.00 -1.32 0.00 0.00 176.35 173.13 1de3 s SER 149 N -1.77 0.64 0.00 0.00 0.01 -1.08 -4.77 113.70 106.73 1de3 s SER 149 Ca 0.53 -0.09 0.15 0.00 1.31 0.00 0.00 55.95 57.86 1de3 s SER 149 Cb -0.14 -0.22 0.12 0.00 0.21 0.00 0.00 66.02 65.99 1de3 s SER 149 CO 0.68 -0.01 0.98 0.00 0.41 0.00 0.00 173.24 175.30