#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1de3 s VAL 2 N 0.00 5.09 -1.09 0.00 1.01 -1.26 -4.86 120.40 119.28 1de3 s VAL 2 Ca 0.00 0.08 -0.21 0.00 0.00 0.00 0.00 61.98 61.86 1de3 s VAL 2 Cb 0.00 -3.36 0.07 0.00 0.00 0.00 0.00 36.38 33.09 1de3 s VAL 2 CO 0.00 0.36 1.48 -0.89 0.00 0.00 0.00 175.10 176.05 1de3 s THR 3 N 1.05 4.15 -0.51 3.92 2.01 -1.26 -0.26 115.64 124.73 1de3 s THR 3 Ca 0.06 -1.28 -0.28 0.00 0.31 0.00 0.00 61.69 60.50 1de3 s THR 3 Cb -0.14 -5.05 0.03 0.00 0.01 0.00 0.00 72.50 67.35 1de3 s THR 3 CO 0.04 -1.89 1.09 0.26 -0.69 0.00 0.00 174.62 173.44 1de3 s TRP 4 N 4.28 2.77 -0.09 4.92 0.52 0.50 -3.93 118.94 127.91 1de3 s TRP 4 Ca 0.46 0.49 -0.00 0.00 0.02 0.00 0.00 56.10 57.07 1de3 s TRP 4 Cb 0.00 -4.34 -0.03 0.00 -1.15 0.00 0.00 33.47 27.96 1de3 s TRP 4 CO -0.05 -1.34 -0.06 0.99 0.02 0.00 0.00 176.95 176.51 1de3 s THR 5 N 4.42 3.72 0.09 2.01 2.01 0.16 0.09 115.64 128.14 1de3 s THR 5 Ca 0.43 -0.46 0.07 0.00 0.31 0.00 0.00 61.69 62.04 1de3 s THR 5 Cb -0.08 -2.54 -0.03 0.00 0.01 0.00 0.00 72.50 69.85 1de3 s THR 5 CO 0.28 0.58 -0.18 0.00 -0.69 0.00 0.00 174.62 174.60 1de3 s LEU 7 N -1.83 5.40 0.18 0.00 1.43 -1.26 0.48 118.68 123.09 1de3 s LEU 7 Ca 0.03 -3.33 -0.03 0.00 -1.03 0.00 0.00 54.13 49.76 1de3 s LEU 7 Cb -0.10 -1.88 -0.05 0.00 0.03 0.00 0.00 46.19 44.19 1de3 s LEU 7 CO 0.03 -0.27 0.40 0.20 0.23 0.00 0.00 176.35 176.95 1de3 s ASN 8 N 0.19 6.45 -0.47 2.29 0.02 -1.12 -4.54 114.94 117.76 1de3 s ASN 8 Ca 0.22 0.54 -0.18 0.00 -1.02 0.00 0.00 52.86 52.42 1de3 s ASN 8 Cb -0.13 -2.07 0.05 0.00 0.02 0.00 0.00 41.25 39.12 1de3 s ASN 8 CO -0.09 -0.01 0.54 -0.62 0.02 0.00 0.00 177.10 176.94 1de3 s ASP 9 N -2.78 6.21 -0.19 -1.22 2.15 0.15 -2.06 116.67 118.93 1de3 s ASP 9 Ca 0.40 -0.88 -0.08 0.00 0.43 0.00 0.00 52.55 52.42 1de3 s ASP 9 Cb -0.12 -2.26 -0.04 0.00 -0.30 0.00 0.00 42.92 40.21 1de3 s ASP 9 CO 0.27 -0.76 0.07 -1.10 -0.17 0.00 0.00 175.17 173.48 1de3 s GLN 10 N 2.34 4.00 -1.33 4.34 -0.21 0.13 -2.28 119.66 126.65 1de3 s GLN 10 Ca 0.13 -0.33 -0.17 0.00 0.02 0.00 0.00 55.36 55.01 1de3 s GLN 10 Cb -0.19 -3.26 0.05 0.00 1.00 0.00 0.00 33.01 30.61 1de3 s GLN 10 CO 0.12 0.26 1.91 1.17 -2.12 0.00 0.00 175.29 176.62 1de3 n LYS 11 N 3.59 2.97 -1.68 2.91 4.81 -1.26 0.01 118.16 129.50 1de3 n LYS 11 Ca -0.16 -2.99 -0.55 0.00 -0.87 0.00 0.00 58.31 53.73 1de3 n LYS 11 Cb 0.52 -3.43 -0.07 0.00 0.02 0.00 0.00 35.03 32.07 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 7.96 2.31 0.19 3.14 5.15 0.39 -4.73 115.26 129.68 1de3 n ASN 12 Ca 0.50 1.08 0.05 0.00 -0.60 0.00 0.00 54.58 55.61 1de3 n ASN 12 Cb 0.44 -1.17 0.37 0.00 -0.53 0.00 0.00 39.78 38.88 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 6.73 0.00 -0.00 1.20 0.13 -1.92 0.21 132.00 138.35 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 0.92 0.37 0.00 -0.22 -0.23 0.00 0.00 178.00 178.84 1de3 h LYS 14 N 0.00 0.01 -0.01 0.86 1.63 -1.96 -3.08 116.57 114.01 1de3 h LYS 14 Ca -0.00 -0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.79 1de3 h LYS 14 Cb 0.80 -0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.43 1de3 h LYS 14 CO 0.05 0.21 -0.33 0.25 -3.45 0.00 0.00 179.45 176.18 1de3 n THR 15 N -4.99 0.00 -2.88 1.00 -2.24 -1.21 -4.95 114.28 99.01 1de3 n THR 15 Ca -0.08 -0.21 -0.12 0.00 -2.27 0.00 0.00 64.05 61.37 1de3 n THR 15 Cb 0.13 0.82 -0.01 0.00 -2.10 0.00 0.00 70.33 69.17 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 -2.31 -4.27 3.42 5.15 0.72 -4.91 115.26 112.82 1de3 n ASN 16 Ca 0.11 0.06 -0.15 0.00 -0.60 0.00 0.00 54.58 54.00 1de3 n ASN 16 Cb 0.41 -2.02 -0.10 0.00 -0.53 0.00 0.00 39.78 37.54 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 -5.46 1.14 -0.37 1.20 1.02 -1.02 -4.91 119.74 111.34 1de3 s LYS 17 Ca 0.17 -1.52 -0.24 0.00 0.02 0.00 0.00 55.97 54.40 1de3 s LYS 17 Cb -0.10 -0.56 0.01 0.00 -0.52 0.00 0.00 37.83 36.67 1de3 s LYS 17 CO 0.21 -0.01 0.83 0.71 -0.92 0.00 0.00 175.35 176.17 1de3 s TYR 18 N -3.41 3.09 0.03 3.18 2.02 -1.26 -0.46 117.35 120.55 1de3 s TYR 18 Ca 0.21 0.59 0.06 0.00 -0.37 0.00 0.00 57.07 57.55 1de3 s TYR 18 Cb 0.04 -3.50 -0.03 0.00 -0.40 0.00 0.00 41.96 38.07 1de3 s TYR 18 CO 0.03 -0.78 -0.14 -1.21 -1.57 0.00 0.00 175.55 171.88 1de3 s GLU 19 N 3.23 2.22 -1.09 -0.62 2.02 0.10 -4.86 118.70 119.70 1de3 s GLU 19 Ca 0.33 -0.91 -0.09 0.00 0.02 0.00 0.00 54.97 54.33 1de3 s GLU 19 Cb -0.13 -2.29 0.27 0.00 0.10 0.00 0.00 34.13 32.09 1de3 s GLU 19 CO 0.18 0.56 1.08 0.99 0.02 0.00 0.00 175.26 178.08 1de3 s THR 20 N -0.97 5.88 0.79 3.63 2.01 -1.26 0.17 115.64 125.89 1de3 s THR 20 Ca 0.16 -3.44 -0.12 0.00 0.31 0.00 0.00 61.69 58.60 1de3 s THR 20 Cb -0.11 -4.53 0.06 0.00 0.01 0.00 0.00 72.50 67.93 1de3 s THR 20 CO 0.07 -1.18 1.11 -0.54 -0.69 0.00 0.00 174.62 173.39 1de3 s LYS 21 N -1.24 2.18 -0.46 4.92 -0.14 -0.88 -4.85 119.74 119.28 1de3 s LYS 21 Ca 0.30 0.50 -0.11 0.00 -1.36 0.00 0.00 55.97 55.30 1de3 s LYS 21 Cb -0.10 -1.94 0.10 0.00 -1.68 0.00 0.00 37.83 34.21 1de3 s LYS 21 CO -0.08 -1.52 0.34 1.03 -0.76 0.00 0.00 175.35 174.35 1de3 s ARG 22 N -5.27 2.63 -1.16 1.68 0.52 -1.26 -2.77 118.95 113.32 1de3 s ARG 22 Ca 0.60 -1.60 -0.19 0.00 -0.52 0.00 0.00 55.73 54.02 1de3 s ARG 22 Cb -0.13 -3.93 0.08 0.00 0.52 0.00 0.00 34.95 31.49 1de3 s ARG 22 CO 0.53 -1.10 1.54 -0.51 0.02 0.00 0.00 175.30 175.78 1de3 s LEU 23 N 1.44 4.01 -0.11 2.53 1.02 0.18 -4.86 118.68 122.89 1de3 s LEU 23 Ca 0.04 -2.16 -0.30 0.00 0.02 0.00 0.00 54.13 51.74 1de3 s LEU 23 Cb -0.25 -2.53 -0.02 0.00 0.02 0.00 0.00 46.19 43.40 1de3 s LEU 23 CO 0.01 -1.21 1.17 -0.22 0.02 0.00 0.00 176.35 176.12 1de3 s LEU 24 N 3.97 4.23 -0.03 1.79 1.98 -1.26 -0.62 118.68 128.74 1de3 s LEU 24 Ca 0.48 1.70 0.07 0.00 -2.89 0.00 0.00 54.13 53.50 1de3 s LEU 24 Cb 0.01 -3.55 -0.02 0.00 0.66 0.00 0.00 46.19 43.29 1de3 s LEU 24 CO -0.01 -0.62 -0.25 -0.31 -1.89 0.00 0.00 176.35 173.28 1de3 s TYR 25 N 2.59 2.37 -0.36 5.38 1.51 0.11 -4.78 117.35 124.18 1de3 s TYR 25 Ca 0.53 -0.43 -0.18 0.00 -1.01 0.00 0.00 57.07 55.98 1de3 s TYR 25 Cb -0.22 -1.52 -0.00 0.00 -0.11 0.00 0.00 41.96 40.11 1de3 s TYR 25 CO 0.18 -0.03 0.49 1.21 -1.11 0.00 0.00 175.55 176.29 1de3 s ASN 26 N -0.59 6.28 0.54 2.29 2.47 -1.26 -0.37 114.94 124.30 1de3 s ASN 26 Ca 0.09 -0.15 0.26 0.00 0.42 0.00 0.00 52.86 53.49 1de3 s ASN 26 Cb -0.10 -2.26 1.43 0.00 -1.45 0.00 0.00 41.25 38.87 1de3 s ASN 26 CO -0.01 -0.49 1.99 -0.61 -3.72 0.00 0.00 177.10 174.26 1de3 h GLN 27 N 8.52 0.00 -0.74 0.43 4.15 -0.96 0.79 115.11 127.30 1de3 h GLN 27 Ca -0.28 0.00 0.17 0.00 0.77 0.00 0.00 58.65 59.31 1de3 h GLN 27 Cb 1.12 0.00 -0.13 0.00 0.21 0.00 0.00 27.48 28.68 1de3 h GLN 27 CO 0.77 0.00 -0.03 -0.97 -1.93 0.00 0.00 178.83 176.68 1de3 h ASN 28 N 0.00 -0.40 0.43 -0.69 -1.24 -1.91 0.72 115.58 112.49 1de3 h ASN 28 Ca 0.25 0.20 -0.15 0.00 0.71 0.00 0.00 56.30 57.31 1de3 h ASN 28 Cb 1.05 0.36 -0.01 0.00 0.73 0.00 0.00 38.32 40.44 1de3 h ASN 28 CO -0.00 -0.19 -0.64 0.11 -1.29 0.00 0.00 177.43 175.42 1de3 h LYS 29 N 0.08 0.19 0.31 6.67 6.56 -1.23 0.02 116.57 129.18 1de3 h LYS 29 Ca 0.40 -0.14 -0.02 0.00 -1.06 0.00 0.00 60.65 59.83 1de3 h LYS 29 Cb 0.69 0.02 0.00 0.00 -0.57 0.00 0.00 32.23 32.37 1de3 h LYS 29 CO -0.67 0.77 -0.15 0.00 -2.06 0.00 0.00 179.45 177.33 1de3 h ALA 30 N 1.20 -0.42 -0.70 3.86 0.00 -0.67 0.83 119.26 123.35 1de3 h ALA 30 Ca -0.01 -0.19 0.04 0.00 0.00 0.00 0.00 54.91 54.75 1de3 h ALA 30 Cb 1.15 0.16 -0.04 0.00 0.00 0.00 0.00 17.79 19.07 1de3 h ALA 30 CO 0.10 -0.55 0.46 1.05 0.00 0.00 0.00 179.25 180.31 1de3 h GLU 31 N -0.79 0.80 -0.00 0.00 -0.00 0.33 -0.51 114.58 114.41 1de3 h GLU 31 Ca -0.04 -0.05 -0.01 0.00 -0.00 0.00 0.00 59.36 59.26 1de3 h GLU 31 Cb 0.51 -0.18 0.00 0.00 -0.00 0.00 0.00 28.75 29.08 1de3 h GLU 31 CO 0.07 0.53 -0.03 1.03 -0.00 0.00 0.00 179.01 180.61 1de3 h SER 32 N 0.83 0.03 -0.50 3.06 0.87 -0.82 -1.46 113.55 115.56 1de3 h SER 32 Ca 0.28 -0.70 0.10 0.00 -1.23 0.00 0.00 61.79 60.24 1de3 h SER 32 Cb 0.09 -0.01 -0.08 0.00 -0.44 0.00 0.00 62.40 61.96 1de3 h SER 32 CO -0.08 0.72 0.03 0.78 -0.53 0.00 0.00 176.83 177.75 1de3 h ASN 33 N -0.65 -0.16 -0.62 6.23 2.35 0.10 0.25 115.58 123.09 1de3 h ASN 33 Ca -0.00 0.11 -0.08 0.00 -0.55 0.00 0.00 56.30 55.78 1de3 h ASN 33 Cb 0.72 0.19 -0.02 0.00 0.05 0.00 0.00 38.32 39.26 1de3 h ASN 33 CO 0.01 -0.05 0.08 0.77 -1.65 0.00 0.00 177.43 176.59 1de3 h SER 34 N 0.15 1.00 0.62 5.81 4.64 -1.16 0.13 113.55 124.74 1de3 h SER 34 Ca 0.26 -0.27 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1de3 h SER 34 Cb 0.38 -0.27 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 1de3 h SER 34 CO -0.40 1.02 0.00 0.45 -0.87 0.00 0.00 176.83 177.03 1de3 h HIS 35 N 0.94 0.00 0.07 4.77 3.86 -0.04 -2.61 115.15 122.15 1de3 h HIS 35 Ca 0.18 0.00 -0.29 0.00 -1.16 0.00 0.00 60.37 59.10 1de3 h HIS 35 Cb 0.46 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.91 1de3 h HIS 35 CO 0.03 0.00 -1.57 0.45 0.86 0.00 0.00 177.93 177.70 1de3 h HIS 36 N 0.00 0.29 -3.68 2.45 -0.00 0.04 -3.47 115.15 110.77 1de3 h HIS 36 Ca 0.00 -0.21 -0.53 0.00 -0.00 0.00 0.00 60.37 59.63 1de3 h HIS 36 Cb 0.31 -0.01 0.08 0.00 -0.00 0.00 0.00 27.41 27.79 1de3 h HIS 36 CO 0.00 1.62 0.75 0.00 -0.00 0.00 0.00 177.93 180.30 1de3 s ALA 37 N -2.46 3.59 0.75 2.45 0.00 0.41 -5.01 121.76 121.49 1de3 s ALA 37 Ca -0.24 1.41 -0.11 0.00 0.00 0.00 0.00 51.96 53.02 1de3 s ALA 37 Cb 0.06 -3.56 0.04 0.00 0.00 0.00 0.00 23.12 19.66 1de3 s ALA 37 CO 0.70 -0.84 1.09 -1.25 0.00 0.00 0.00 175.76 175.46 1de3 s PRO 38 N -1.31 2.42 -1.13 0.00 0.04 -1.26 -4.88 135.00 128.87 1de3 s PRO 38 Ca 0.55 1.18 -0.13 0.00 0.04 0.00 0.00 61.00 62.64 1de3 s PRO 38 Cb -0.43 -1.92 0.20 0.00 0.04 0.00 0.00 34.50 32.39 1de3 s PRO 38 CO 0.53 -1.52 1.27 -0.51 0.04 0.00 0.00 177.00 176.81 1de3 s LEU 39 N -5.70 5.48 -0.29 -3.56 1.43 -1.26 -4.49 118.68 110.29 1de3 s LEU 39 Ca 0.62 -3.01 -0.14 0.00 -1.03 0.00 0.00 54.13 50.57 1de3 s LEU 39 Cb -0.17 -2.34 0.13 0.00 0.03 0.00 0.00 46.19 43.83 1de3 s LEU 39 CO 0.53 -0.66 0.79 -0.94 0.23 0.00 0.00 176.35 176.30 1de3 s SER 40 N 2.51 -0.86 -0.16 2.29 1.04 -1.26 -4.93 113.70 112.34 1de3 s SER 40 Ca 0.37 1.26 -0.29 0.00 0.48 0.00 0.00 55.95 57.77 1de3 s SER 40 Cb -0.05 1.70 -0.01 0.00 0.10 0.00 0.00 66.02 67.76 1de3 s SER 40 CO -0.04 -0.19 1.22 -0.62 0.98 0.00 0.00 173.24 174.60 1de3 s ASP 41 N 2.15 6.98 -0.90 7.02 2.15 -0.85 -4.11 116.67 129.11 1de3 s ASP 41 Ca -0.07 1.67 -0.07 0.00 0.43 0.00 0.00 52.55 54.51 1de3 s ASP 41 Cb -0.07 -2.54 -0.00 0.00 -0.30 0.00 0.00 42.92 40.01 1de3 s ASP 41 CO -0.18 -0.72 0.69 0.61 -0.17 0.00 0.00 175.17 175.40 1de3 n GLY 42 N 3.53 -1.19 2.10 2.66 0.00 -1.10 -4.38 105.19 106.81 1de3 n GLY 42 Ca 0.13 0.52 -0.01 0.00 0.00 0.00 0.00 46.02 46.65 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 -2.91 0.88 -4.08 1.61 4.81 -1.14 -5.03 118.16 112.29 1de3 n LYS 43 Ca -0.16 -1.96 -0.12 0.00 -0.87 0.00 0.00 58.31 55.20 1de3 n LYS 43 Cb 0.60 -0.21 -0.06 0.00 0.02 0.00 0.00 35.03 35.39 1de3 n LYS 43 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 1de3 s THR 44 N -1.01 0.00 0.00 3.15 2.01 -1.25 -5.02 115.64 113.52 1de3 s THR 44 Ca 0.17 -1.62 0.00 0.00 0.31 0.00 0.00 61.69 60.55 1de3 s THR 44 Cb 0.30 -2.41 0.00 0.00 0.01 0.00 0.00 72.50 70.40 1de3 s THR 44 CO -0.08 0.00 0.90 0.61 -0.69 0.00 0.00 174.62 175.35 1de3 n GLY 45 N -0.41 -2.97 0.00 4.40 0.00 -1.15 -1.28 105.19 103.78 1de3 n GLY 45 Ca 0.00 0.38 0.08 0.00 0.00 0.00 0.00 46.02 46.47 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 0.77 -3.98 113.62 113.20 1de3 n SER 46 Ca 0.00 -0.59 0.00 0.00 -0.26 0.00 0.00 58.87 58.02 1de3 n SER 46 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1de3 n SER 46 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1de3 n SER 47 N -0.94 0.00 -4.76 4.04 2.88 -0.41 -5.00 113.62 109.42 1de3 n SER 47 Ca 0.11 0.00 -0.39 0.00 -1.33 0.00 0.00 58.87 57.26 1de3 n SER 47 Cb 0.05 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 63.52 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 -1.36 2.69 -0.12 0.66 2.02 -1.26 -2.70 117.35 117.28 1de3 s TYR 48 Ca 0.00 1.40 -0.30 0.00 -0.37 0.00 0.00 57.07 57.81 1de3 s TYR 48 Cb 0.00 -3.68 -0.01 0.00 -0.40 0.00 0.00 41.96 37.87 1de3 s TYR 48 CO 0.00 -2.25 1.04 -1.25 -1.57 0.00 0.00 175.55 171.51 1de3 s PRO 49 N -2.44 4.39 0.66 -1.71 0.04 -1.26 -4.55 135.00 130.14 1de3 s PRO 49 Ca 0.61 1.42 -0.07 0.00 0.04 0.00 0.00 61.00 63.00 1de3 s PRO 49 Cb -0.38 -3.56 0.04 0.00 0.04 0.00 0.00 34.50 30.64 1de3 s PRO 49 CO 0.48 -0.38 0.99 -3.38 0.04 0.00 0.00 177.00 174.75 1de3 s HIS 50 N 2.21 3.10 0.45 0.56 -3.43 -1.24 -3.02 115.29 113.92 1de3 s HIS 50 Ca 0.49 0.62 -0.22 0.00 -0.80 0.00 0.00 55.06 55.14 1de3 s HIS 50 Cb -0.19 -3.01 -0.09 0.00 -1.43 0.00 0.00 32.58 27.86 1de3 s HIS 50 CO 0.17 -1.17 1.05 -0.46 -2.00 0.00 0.00 174.74 172.33 1de3 s TRP 51 N -3.18 3.10 -0.52 0.38 -0.00 -1.26 -0.35 118.94 117.12 1de3 s TRP 51 Ca 0.57 1.60 0.04 0.00 -0.00 0.00 0.00 56.10 58.32 1de3 s TRP 51 Cb -0.11 -3.10 0.13 0.00 -0.00 0.00 0.00 33.47 30.39 1de3 s TRP 51 CO 0.46 -0.77 0.27 0.12 -0.00 0.00 0.00 176.95 177.03 1de3 s PHE 52 N -1.83 3.05 0.37 5.86 5.36 0.16 -4.59 117.98 126.36 1de3 s PHE 52 Ca 0.63 -3.10 0.22 0.00 -0.96 0.00 0.00 56.93 53.73 1de3 s PHE 52 Cb -0.19 -2.70 1.34 0.00 -0.34 0.00 0.00 43.02 41.13 1de3 s PHE 52 CO 0.24 -0.73 1.53 0.25 -1.46 0.00 0.00 175.22 175.05 1de3 n THR 53 N 3.09 -0.38 -2.72 0.12 -2.24 -1.26 -4.45 114.28 106.44 1de3 n THR 53 Ca 0.06 1.94 -0.20 0.00 -2.27 0.00 0.00 64.05 63.59 1de3 n THR 53 Cb 0.33 -3.16 0.01 0.00 -2.10 0.00 0.00 70.33 65.40 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 -5.12 -5.22 0.00 3.42 5.15 -1.26 -0.88 115.26 111.35 1de3 n ASN 54 Ca 0.37 -0.09 0.00 0.00 -0.60 0.00 0.00 54.58 54.26 1de3 n ASN 54 Cb 1.30 -4.32 0.00 0.00 -0.53 0.00 0.00 39.78 36.23 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 -1.14 3.07 3.42 8.20 0.00 -1.26 -3.88 105.19 113.61 1de3 n GLY 55 Ca -0.15 -0.54 -0.32 0.00 0.00 0.00 0.00 46.02 45.00 1de3 n GLY 55 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1de3 n TYR 56 N 0.00 -1.09 0.13 1.61 4.01 -0.06 -4.52 117.16 117.25 1de3 n TYR 56 Ca 0.00 0.20 0.11 0.00 -0.16 0.00 0.00 57.90 58.05 1de3 n TYR 56 Cb 0.00 -1.75 -0.11 0.00 -0.31 0.00 0.00 39.34 37.16 1de3 n TYR 56 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 1de3 n ASP 57 N -2.20 0.30 0.00 7.72 8.00 0.09 -4.78 116.55 125.68 1de3 n ASP 57 Ca 0.06 -0.02 0.00 0.00 0.71 0.00 0.00 54.79 55.54 1de3 n ASP 57 Cb 0.56 1.50 0.00 0.00 -0.02 0.00 0.00 41.12 43.16 1de3 n ASP 57 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1de3 n GLY 58 N 1.27 0.91 0.00 0.44 0.00 -1.26 -5.06 105.19 101.48 1de3 n GLY 58 Ca -0.02 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 0.00 -0.67 1.61 9.92 -1.25 -2.93 116.55 123.22 1de3 n ASP 59 Ca 0.00 0.00 -0.03 0.00 -0.53 0.00 0.00 54.79 54.23 1de3 n ASP 59 Cb 0.00 0.00 -0.03 0.00 -0.64 0.00 0.00 41.12 40.45 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 2.83 0.61 3.42 0.44 0.00 -1.26 -2.40 105.19 108.83 1de3 n GLY 60 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1de3 n GLY 60 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1de3 s LYS 61 N 0.00 2.71 0.06 1.61 -0.14 -1.26 -4.98 119.74 117.74 1de3 s LYS 61 Ca 0.00 -0.73 0.10 0.00 -1.36 0.00 0.00 55.97 53.98 1de3 s LYS 61 Cb 0.00 -2.40 -0.03 0.00 -1.68 0.00 0.00 37.83 33.72 1de3 s LYS 61 CO 0.00 0.49 -0.26 -0.51 -0.76 0.00 0.00 175.35 174.31 1de3 s LEU 62 N -0.39 2.20 0.00 3.17 1.02 -1.26 -0.73 118.68 122.68 1de3 s LEU 62 Ca 0.04 -0.62 0.00 0.00 0.02 0.00 0.00 54.13 53.57 1de3 s LEU 62 Cb -0.12 -1.25 0.00 0.00 0.02 0.00 0.00 46.19 44.84 1de3 s LEU 62 CO 0.02 0.23 0.00 -0.81 0.02 0.00 0.00 176.35 175.81 1de3 n PRO 63 N 1.60 -0.85 -2.86 1.29 -0.04 -1.26 -4.95 135.00 127.91 1de3 n PRO 63 Ca -0.17 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 62.86 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 -2.87 3.21 0.00 0.54 2.36 -1.26 -3.82 119.74 117.91 1de3 s LYS 64 Ca 0.00 -1.02 0.00 0.00 -2.55 0.00 0.00 55.97 52.40 1de3 s LYS 64 Cb 0.00 -4.39 0.00 0.00 -1.05 0.00 0.00 37.83 32.39 1de3 s LYS 64 CO 0.00 -1.82 0.00 0.41 1.55 0.00 0.00 175.35 175.49 1de3 n GLY 65 N 5.41 0.93 3.56 5.54 0.00 -1.26 -5.15 105.19 114.20 1de3 n GLY 65 Ca 0.02 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.80 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 0.15 1.99 -0.35 1.61 6.06 -1.25 -5.12 118.95 122.04 1de3 s ARG 66 Ca 0.00 -1.52 0.01 0.00 -2.50 0.00 0.00 55.73 51.71 1de3 s ARG 66 Cb 0.00 -2.00 0.14 0.00 0.06 0.00 0.00 34.95 33.15 1de3 s ARG 66 CO 0.00 0.37 0.26 -0.08 -2.50 0.00 0.00 175.30 173.35 1de3 s THR 67 N -2.24 -0.03 -0.58 4.11 -1.32 -1.26 -5.06 115.64 109.25 1de3 s THR 67 Ca 0.29 -1.41 -0.27 0.00 -1.21 0.00 0.00 61.69 59.09 1de3 s THR 67 Cb -0.06 -0.96 -0.01 0.00 -1.51 0.00 0.00 72.50 69.95 1de3 s THR 67 CO 0.17 -0.84 1.69 -2.16 -2.21 0.00 0.00 174.62 171.26 1de3 s PRO 68 N 1.27 2.93 -0.28 7.08 0.04 -1.25 -4.62 135.00 140.16 1de3 s PRO 68 Ca 0.17 0.57 -0.42 0.00 0.04 0.00 0.00 61.00 61.36 1de3 s PRO 68 Cb -0.20 -4.28 -0.18 0.00 0.04 0.00 0.00 34.50 29.88 1de3 s PRO 68 CO -0.03 -2.38 1.58 -0.89 0.04 0.00 0.00 177.00 175.31 1de3 n ILE 69 N 7.06 0.14 -3.82 0.56 5.41 -1.26 -4.94 119.36 122.51 1de3 n ILE 69 Ca 0.17 -0.02 -0.37 0.00 1.00 0.00 0.00 62.75 63.53 1de3 n ILE 69 Cb 0.50 -0.81 -0.06 0.00 -0.71 0.00 0.00 39.64 38.57 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 2.64 3.59 -0.09 0.38 2.36 -1.26 -4.91 119.74 122.44 1de3 s LYS 70 Ca 0.98 -0.08 0.08 0.00 -2.55 0.00 0.00 55.97 54.40 1de3 s LYS 70 Cb -1.22 -3.22 -0.11 0.00 -1.05 0.00 0.00 37.83 32.22 1de3 s LYS 70 CO 0.68 0.71 0.03 1.19 1.55 0.00 0.00 175.35 179.51 1de3 n PHE 71 N 2.17 0.00 0.00 4.03 3.72 -1.26 -5.01 117.46 121.11 1de3 n PHE 71 Ca -0.19 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.21 1de3 n PHE 71 Cb 0.54 -0.44 0.00 0.00 -0.94 0.00 0.00 39.48 38.65 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 2.45 0.90 3.42 1.37 0.00 -1.26 -5.04 105.19 107.03 1de3 n GLY 72 Ca -0.14 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.64 3.11 0.53 1.61 1.02 -1.26 -4.96 119.74 119.15 1de3 s LYS 73 Ca 0.00 -0.89 0.38 0.00 0.02 0.00 0.00 55.97 55.48 1de3 s LYS 73 Cb 0.00 -3.69 1.55 0.00 -0.52 0.00 0.00 37.83 35.17 1de3 s LYS 73 CO 0.00 -0.56 1.74 0.77 -0.92 0.00 0.00 175.35 176.38 1de3 h SER 74 N 8.42 0.06 -0.01 2.83 0.02 -1.98 0.37 113.55 123.25 1de3 h SER 74 Ca -0.29 0.02 -0.07 0.00 -0.84 0.00 0.00 61.79 60.60 1de3 h SER 74 Cb 1.13 0.01 0.01 0.00 0.14 0.00 0.00 62.40 63.68 1de3 h SER 74 CO 0.65 -0.00 -0.28 0.44 -1.14 0.00 0.00 176.83 176.49 1de3 h ASP 75 N 0.04 0.27 0.49 3.07 3.32 -1.94 0.33 116.42 121.99 1de3 h ASP 75 Ca 0.67 -0.75 -0.00 0.00 0.02 0.00 0.00 57.03 56.97 1de3 h ASP 75 Cb 2.55 -0.08 -0.00 0.00 0.22 0.00 0.00 39.33 42.02 1de3 h ASP 75 CO -0.06 0.98 -0.01 0.00 -1.72 0.00 0.00 179.24 178.43 1de3 n ASP 77 N -3.14 0.38 -4.60 0.00 2.03 0.11 -4.89 116.55 106.43 1de3 n ASP 77 Ca -0.01 0.10 -0.33 0.00 0.52 0.00 0.00 54.79 55.06 1de3 n ASP 77 Cb 0.19 1.32 0.12 0.00 -0.72 0.00 0.00 41.12 42.03 1de3 n ASP 77 CO 0.00 0.00 0.00 -2.11 -1.92 0.00 0.00 177.20 173.17 1de3 n ARG 78 N -2.39 0.02 -2.16 -0.67 -4.01 0.11 -4.90 116.66 102.66 1de3 n ARG 78 Ca -0.02 0.08 -0.43 0.00 -1.04 0.00 0.00 57.85 56.44 1de3 n ARG 78 Cb 0.55 -2.23 -0.02 0.00 -3.04 0.00 0.00 32.46 27.72 1de3 n ARG 78 CO 0.00 0.00 0.00 -1.25 -3.04 0.00 0.00 177.63 173.34 1de3 s PRO 79 N -3.89 3.43 0.33 2.89 0.04 -1.26 -4.99 135.00 131.54 1de3 s PRO 79 Ca 0.68 1.19 -0.28 0.00 0.04 0.00 0.00 61.00 62.62 1de3 s PRO 79 Cb -0.28 -4.13 -0.10 0.00 0.04 0.00 0.00 34.50 30.04 1de3 s PRO 79 CO 0.56 -1.75 1.20 -1.25 0.04 0.00 0.00 177.00 175.80 1de3 s PRO 80 N 5.37 4.40 -0.86 0.56 0.04 -1.01 -4.86 135.00 138.65 1de3 s PRO 80 Ca 0.71 1.99 -0.02 0.00 0.04 0.00 0.00 61.00 63.73 1de3 s PRO 80 Cb -0.18 -3.04 0.21 0.00 0.04 0.00 0.00 34.50 31.53 1de3 s PRO 80 CO 0.33 -0.06 0.73 0.21 0.04 0.00 0.00 177.00 178.25 1de3 s LYS 81 N -1.76 3.18 0.02 4.56 2.20 -1.17 -3.94 119.74 122.82 1de3 s LYS 81 Ca 0.49 -3.19 -0.29 0.00 -0.36 0.00 0.00 55.97 52.62 1de3 s LYS 81 Cb -0.35 -3.92 -0.04 0.00 -1.51 0.00 0.00 37.83 32.01 1de3 s LYS 81 CO 0.46 -1.25 0.92 -1.58 -0.36 0.00 0.00 175.35 173.53 1de3 s HIS 82 N -1.19 3.69 0.00 4.03 5.65 -1.15 -2.92 115.29 123.39 1de3 s HIS 82 Ca 0.26 1.64 0.00 0.00 0.25 0.00 0.00 55.06 57.21 1de3 s HIS 82 Cb -0.09 -3.04 0.00 0.00 -1.18 0.00 0.00 32.58 28.28 1de3 s HIS 82 CO -0.11 0.07 0.00 0.45 -0.65 0.00 0.00 174.74 174.50 1de3 n SER 83 N 3.56 0.00 0.22 9.88 2.88 -1.26 -4.85 113.62 124.04 1de3 n SER 83 Ca 0.04 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.48 1de3 n SER 83 Cb 0.51 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.92 1de3 n SER 83 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 1de3 h LYS 84 N 0.00 -0.57 -0.67 -1.46 3.11 -2.00 -3.33 116.57 111.65 1de3 h LYS 84 Ca 0.00 0.04 -0.21 0.00 -2.81 0.00 0.00 60.65 57.67 1de3 h LYS 84 Cb 0.00 0.13 -0.13 0.00 -1.00 0.00 0.00 32.23 31.23 1de3 h LYS 84 CO 0.00 -0.38 0.24 -0.40 -2.81 0.00 0.00 179.45 176.09 1de3 n ASP 85 N -4.43 4.40 -3.60 4.20 5.68 -1.26 -4.96 116.55 116.57 1de3 n ASP 85 Ca -0.07 -3.30 -0.27 0.00 -0.50 0.00 0.00 54.79 50.65 1de3 n ASP 85 Cb 0.23 -0.72 0.01 0.00 -1.14 0.00 0.00 41.12 39.50 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 -0.38 -0.83 2.04 6.12 0.00 -1.25 -3.17 105.19 107.71 1de3 n GLY 86 Ca 0.40 0.71 0.00 0.00 0.00 0.00 0.00 46.02 47.12 1de3 n GLY 86 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1de3 n ASN 87 N -1.76 -0.68 0.00 1.61 5.15 -1.26 -2.01 115.26 116.30 1de3 n ASN 87 Ca -0.24 0.24 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 1de3 n ASN 87 Cb 0.64 0.81 0.00 0.00 -0.53 0.00 0.00 39.78 40.71 1de3 n ASN 87 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1de3 n GLY 88 N 0.25 1.19 0.10 8.20 0.00 -1.26 -2.82 105.19 110.85 1de3 n GLY 88 Ca 0.00 -0.40 -0.11 0.00 0.00 0.00 0.00 46.02 45.51 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 8.88 0.79 -1.30 1.61 -0.00 -1.26 -4.72 118.16 122.16 1de3 n LYS 89 Ca 0.00 0.02 -0.02 0.00 -0.00 0.00 0.00 58.31 58.31 1de3 n LYS 89 Cb 0.00 -1.50 -0.02 0.00 -0.00 0.00 0.00 35.03 33.51 1de3 n LYS 89 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 1de3 n THR 90 N -2.81 0.03 -1.42 0.58 -2.24 -1.26 -5.14 114.28 102.02 1de3 n THR 90 Ca -0.34 -0.52 -0.40 0.00 -2.27 0.00 0.00 64.05 60.52 1de3 n THR 90 Cb 1.10 0.75 0.02 0.00 -2.10 0.00 0.00 70.33 70.10 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 0.17 -1.41 -3.07 3.42 9.92 -1.13 -4.89 116.55 119.57 1de3 n ASP 91 Ca -0.12 0.82 -0.16 0.00 -0.53 0.00 0.00 54.79 54.80 1de3 n ASP 91 Cb 0.90 -1.08 -0.02 0.00 -0.64 0.00 0.00 41.12 40.28 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 -1.21 0.36 -3.54 1.24 1.44 -1.15 -4.08 115.22 108.29 1de3 n HIS 92 Ca 0.11 -3.57 -0.35 0.00 -2.01 0.00 0.00 57.72 51.90 1de3 n HIS 92 Cb 0.43 -0.39 -0.05 0.00 0.12 0.00 0.00 29.99 30.10 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 -2.55 3.59 -0.23 -1.40 1.13 -1.26 -3.06 117.35 113.56 1de3 s TYR 93 Ca 0.37 0.84 -0.29 0.00 -1.41 0.00 0.00 57.07 56.57 1de3 s TYR 93 Cb 0.37 -2.20 -0.01 0.00 -1.10 0.00 0.00 41.96 39.03 1de3 s TYR 93 CO -0.05 0.50 1.38 -0.51 -2.51 0.00 0.00 175.55 174.36 1de3 s LEU 94 N -1.91 3.99 0.14 -3.49 1.43 -1.26 -3.77 118.68 113.80 1de3 s LEU 94 Ca 0.34 1.49 -0.04 0.00 -1.03 0.00 0.00 54.13 54.89 1de3 s LEU 94 Cb -0.14 -3.54 -0.05 0.00 0.03 0.00 0.00 46.19 42.49 1de3 s LEU 94 CO 0.18 -1.02 0.36 -0.76 0.23 0.00 0.00 176.35 175.34 1de3 s LEU 95 N 4.30 4.27 -0.32 1.79 1.02 -0.05 0.36 118.68 130.05 1de3 s LEU 95 Ca 0.60 0.53 0.01 0.00 0.02 0.00 0.00 54.13 55.30 1de3 s LEU 95 Cb -0.21 -3.26 0.10 0.00 0.02 0.00 0.00 46.19 42.84 1de3 s LEU 95 CO 0.22 0.05 0.07 -0.70 0.02 0.00 0.00 176.35 176.02 1de3 s GLU 96 N -2.72 1.09 -0.06 1.70 2.12 0.53 -2.52 118.70 118.84 1de3 s GLU 96 Ca 0.40 -1.42 -0.15 0.00 0.36 0.00 0.00 54.97 54.16 1de3 s GLU 96 Cb -0.12 -2.55 -0.05 0.00 0.26 0.00 0.00 34.13 31.66 1de3 s GLU 96 CO 0.26 -0.95 0.39 0.12 -0.54 0.00 0.00 175.26 174.54 1de3 s PHE 97 N 1.29 3.62 -0.55 5.30 2.19 -0.36 -3.68 117.98 125.79 1de3 s PHE 97 Ca 0.10 0.87 -0.27 0.00 0.33 0.00 0.00 56.93 57.95 1de3 s PHE 97 Cb -0.18 -2.34 -0.00 0.00 -1.31 0.00 0.00 43.02 39.18 1de3 s PHE 97 CO -0.17 0.46 1.62 -1.25 1.83 0.00 0.00 175.22 177.71 1de3 s PRO 98 N -0.38 3.06 0.10 10.12 0.04 -1.26 0.11 135.00 146.80 1de3 s PRO 98 Ca 0.22 0.61 -0.14 0.00 0.04 0.00 0.00 61.00 61.73 1de3 s PRO 98 Cb -0.15 -4.23 -0.06 0.00 0.04 0.00 0.00 34.50 30.09 1de3 s PRO 98 CO 0.10 -2.22 0.50 -0.08 0.04 0.00 0.00 177.00 175.35 1de3 s THR 99 N 7.22 4.91 0.02 1.26 -1.32 -1.02 -4.82 115.64 121.89 1de3 s THR 99 Ca 0.61 0.83 0.03 0.00 -1.21 0.00 0.00 61.69 61.95 1de3 s THR 99 Cb -0.13 -3.74 -0.04 0.00 -1.51 0.00 0.00 72.50 67.08 1de3 s THR 99 CO 0.24 0.36 -0.04 -0.36 -2.21 0.00 0.00 174.62 172.62 1de3 s PHE 100 N -1.32 2.95 0.04 9.09 0.40 -1.26 -4.62 117.98 123.26 1de3 s PHE 100 Ca 0.33 -0.01 -0.17 0.00 -0.60 0.00 0.00 56.93 56.49 1de3 s PHE 100 Cb -0.16 -1.60 -0.24 0.00 0.51 0.00 0.00 43.02 41.52 1de3 s PHE 100 CO 0.18 0.42 1.14 -1.00 0.70 0.00 0.00 175.22 176.66 1de3 h PRO 101 N 4.23 0.57 -1.16 0.24 0.13 -1.92 -3.11 132.00 130.99 1de3 h PRO 101 Ca -0.48 -0.64 0.33 0.00 -0.87 0.00 0.00 66.00 64.34 1de3 h PRO 101 Cb 1.17 0.19 -0.06 0.00 0.13 0.00 0.00 31.00 32.42 1de3 h PRO 101 CO 0.56 1.25 0.81 0.22 -0.23 0.00 0.00 178.00 180.60 1de3 h ASP 102 N 0.17 0.13 0.00 1.44 3.58 -1.97 -3.43 116.42 116.34 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 1.57 0.01 0.00 0.00 1.72 0.00 0.00 39.33 42.63 1de3 h ASP 102 CO 0.17 0.01 0.00 0.61 -2.88 0.00 0.00 179.24 177.16 1de3 n GLY 103 N -1.68 0.61 3.66 -0.78 0.00 -1.17 -5.05 105.19 100.78 1de3 n GLY 103 Ca 0.26 -0.71 -0.40 0.00 0.00 0.00 0.00 46.02 45.16 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 3.39 -0.97 1.61 -3.43 -1.26 -4.96 115.29 107.66 1de3 s HIS 104 Ca 0.00 1.02 -0.25 0.00 -0.80 0.00 0.00 55.06 55.03 1de3 s HIS 104 Cb 0.00 -2.86 -0.14 0.00 -1.43 0.00 0.00 32.58 28.15 1de3 s HIS 104 CO 0.00 -0.20 2.15 0.16 -2.00 0.00 0.00 174.74 174.85 1de3 s ASP 105 N 1.19 4.18 0.15 7.38 1.47 -1.26 -4.54 116.67 125.25 1de3 s ASP 105 Ca 0.31 -0.70 -0.31 0.00 1.18 0.00 0.00 52.55 53.03 1de3 s ASP 105 Cb -0.16 -2.57 -0.17 0.00 -0.34 0.00 0.00 42.92 39.67 1de3 s ASP 105 CO 0.11 -3.81 0.74 0.00 0.68 0.00 0.00 175.17 172.89 1de3 n TYR 106 N 17.37 0.04 -1.84 2.11 9.36 -1.26 -4.74 117.16 138.19 1de3 n TYR 106 Ca 0.43 0.95 -0.21 0.00 3.32 0.00 0.00 57.90 62.40 1de3 n TYR 106 Cb 0.46 -2.04 -0.07 0.00 -0.63 0.00 0.00 39.34 37.06 1de3 n TYR 106 CO 0.00 0.00 0.00 -1.59 0.22 0.00 0.00 176.86 175.49 1de3 s LYS 107 N -0.73 1.98 0.09 2.98 0.00 -1.26 -4.69 119.74 118.11 1de3 s LYS 107 Ca 0.71 -0.41 0.26 0.00 0.00 0.00 0.00 55.97 56.53 1de3 s LYS 107 Cb -1.00 -5.03 0.81 0.00 0.00 0.00 0.00 37.83 32.60 1de3 s LYS 107 CO 0.56 -4.33 1.68 1.97 0.00 0.00 0.00 175.35 175.23 1de3 n PHE 108 N 16.58 0.42 1.06 1.78 1.16 -1.26 -3.17 117.46 134.03 1de3 n PHE 108 Ca 0.43 0.12 0.12 0.00 -1.87 0.00 0.00 57.45 56.26 1de3 n PHE 108 Cb 0.46 -0.64 0.27 0.00 -1.61 0.00 0.00 39.48 37.96 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 -1.88 0.66 -4.45 5.98 2.03 -1.26 -0.16 116.55 117.46 1de3 n ASP 109 Ca 0.06 -0.44 -0.43 0.00 0.52 0.00 0.00 54.79 54.49 1de3 n ASP 109 Cb 0.39 0.25 -0.03 0.00 -0.72 0.00 0.00 41.12 41.01 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 -2.87 6.46 0.03 1.67 0.15 -1.19 -3.26 113.70 114.68 1de3 s SER 110 Ca 0.14 -1.65 -0.16 0.00 0.70 0.00 0.00 55.95 54.98 1de3 s SER 110 Cb 0.18 -2.41 -0.09 0.00 -1.71 0.00 0.00 66.02 61.99 1de3 s SER 110 CO 0.66 -1.21 1.24 0.50 1.20 0.00 0.00 173.24 175.64 1de3 h LYS 111 N 9.13 -0.56 -4.14 5.44 3.64 -1.88 -3.17 116.57 125.04 1de3 h LYS 111 Ca -0.01 0.04 -0.49 0.00 -1.27 0.00 0.00 60.65 58.92 1de3 h LYS 111 Cb 1.04 0.13 -0.36 0.00 -0.41 0.00 0.00 32.23 32.62 1de3 h LYS 111 CO 1.15 -0.37 -0.79 -1.59 -2.27 0.00 0.00 179.45 175.57 1de3 s LYS 112 N -4.28 1.27 1.09 1.90 0.00 -1.26 -3.73 119.74 114.73 1de3 s LYS 112 Ca -0.09 -0.18 -0.18 0.00 0.00 0.00 0.00 55.97 55.52 1de3 s LYS 112 Cb 0.01 -1.33 0.25 0.00 0.00 0.00 0.00 37.83 36.76 1de3 s LYS 112 CO 0.26 -0.21 1.24 -1.25 0.00 0.00 0.00 175.35 175.39 1de3 s PRO 113 N 1.51 -0.39 -0.28 1.78 0.04 -1.26 -5.17 135.00 131.23 1de3 s PRO 113 Ca 0.00 -0.32 0.01 0.00 0.04 0.00 0.00 61.00 60.73 1de3 s PRO 113 Cb -0.13 -1.72 0.17 0.00 0.04 0.00 0.00 34.50 32.86 1de3 s PRO 113 CO -0.05 -3.11 0.49 0.21 0.04 0.00 0.00 177.00 174.58 1de3 s LYS 114 N -5.72 0.47 0.62 4.56 2.20 -1.24 -4.74 119.74 115.89 1de3 s LYS 114 Ca 0.74 0.52 -0.18 0.00 -0.36 0.00 0.00 55.97 56.68 1de3 s LYS 114 Cb -0.05 0.00 -0.04 0.00 -1.51 0.00 0.00 37.83 36.23 1de3 s LYS 114 CO 0.55 -0.87 1.02 -1.91 -0.36 0.00 0.00 175.35 173.77 1de3 n GLU 115 N 5.39 0.91 -1.57 4.03 2.13 -1.26 -4.92 120.64 125.35 1de3 n GLU 115 Ca 0.01 0.36 -0.45 0.00 0.66 0.00 0.00 57.16 57.73 1de3 n GLU 115 Cb 0.51 -2.23 -0.02 0.00 0.27 0.00 0.00 31.44 29.97 1de3 n GLU 115 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 1de3 n ASN 116 N -1.02 1.07 -3.07 4.31 2.85 -1.26 -4.99 115.26 113.15 1de3 n ASN 116 Ca 0.14 1.17 0.00 0.00 -0.11 0.00 0.00 54.58 55.79 1de3 n ASN 116 Cb 0.48 -1.25 0.00 0.00 1.24 0.00 0.00 39.78 40.24 1de3 n ASN 116 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 1de3 n PRO 117 N 0.83 0.42 -4.44 1.20 -0.04 -1.26 -5.10 135.00 126.62 1de3 n PRO 117 Ca 0.11 0.00 -0.26 0.00 -0.04 0.00 0.00 63.50 63.31 1de3 n PRO 117 Cb 0.31 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.66 1de3 n PRO 117 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1de3 s GLY 118 N -1.52 1.77 -0.03 0.55 0.00 -1.26 -5.08 107.32 101.74 1de3 s GLY 118 Ca 0.00 -1.72 -0.16 0.00 0.00 0.00 0.00 44.72 42.84 1de3 s GLY 118 CO 0.00 -1.76 0.66 -0.56 0.00 0.00 0.00 173.10 171.44 1de3 h PRO 119 N 2.91 -0.55 -6.32 2.90 0.13 -1.87 -3.43 132.00 125.77 1de3 h PRO 119 Ca -0.44 0.04 -0.57 0.00 -0.87 0.00 0.00 66.00 64.15 1de3 h PRO 119 Cb 1.22 0.12 -0.03 0.00 0.13 0.00 0.00 31.00 32.45 1de3 h PRO 119 CO 0.52 -0.36 1.22 0.00 -0.23 0.00 0.00 178.00 179.14 1de3 s ALA 120 N -3.99 2.98 -0.00 -0.56 0.00 -1.25 -4.03 121.76 114.90 1de3 s ALA 120 Ca -0.08 0.24 0.07 0.00 0.00 0.00 0.00 51.96 52.18 1de3 s ALA 120 Cb 0.01 -3.97 -0.03 0.00 0.00 0.00 0.00 23.12 19.13 1de3 s ALA 120 CO 0.25 -2.46 -0.22 1.03 0.00 0.00 0.00 175.76 174.37 1de3 s ARG 121 N 5.35 2.13 0.09 0.00 0.52 0.13 -2.44 118.95 124.73 1de3 s ARG 121 Ca 0.75 -0.92 -0.24 0.00 -0.52 0.00 0.00 55.73 54.80 1de3 s ARG 121 Cb -0.21 -2.14 -0.07 0.00 0.52 0.00 0.00 34.95 33.05 1de3 s ARG 121 CO 0.33 0.56 0.72 0.54 0.02 0.00 0.00 175.30 177.47 1de3 s VAL 122 N -0.75 4.63 -0.01 3.52 0.11 0.12 -0.56 120.40 127.46 1de3 s VAL 122 Ca 0.12 1.54 0.07 0.00 -2.93 0.00 0.00 61.98 60.78 1de3 s VAL 122 Cb -0.10 -4.07 -0.02 0.00 -1.53 0.00 0.00 36.38 30.66 1de3 s VAL 122 CO 0.01 0.46 -0.23 -0.63 -3.33 0.00 0.00 175.10 171.38 1de3 s ILE 123 N -0.62 2.37 -0.25 7.04 -1.09 0.36 -1.22 121.20 127.79 1de3 s ILE 123 Ca 0.35 -1.08 -0.27 0.00 -2.23 0.00 0.00 60.65 57.42 1de3 s ILE 123 Cb -0.21 -1.89 0.14 0.00 -1.58 0.00 0.00 42.46 38.93 1de3 s ILE 123 CO 0.23 0.52 1.12 -0.72 -1.23 0.00 0.00 174.94 174.86 1de3 s TYR 124 N -0.71 -0.33 0.00 3.97 1.13 -1.05 -0.41 117.35 119.95 1de3 s TYR 124 Ca 0.11 0.74 0.00 0.00 -1.41 0.00 0.00 57.07 56.51 1de3 s TYR 124 Cb -0.10 0.42 0.00 0.00 -1.10 0.00 0.00 41.96 41.18 1de3 s TYR 124 CO 0.01 -0.21 0.00 0.25 -2.51 0.00 0.00 175.55 173.09 1de3 n THR 125 N 1.57 0.00 -3.62 -3.49 -2.24 -1.22 -0.87 114.28 104.41 1de3 n THR 125 Ca -0.10 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.58 1de3 n THR 125 Cb 0.57 -1.08 -0.06 0.00 -2.10 0.00 0.00 70.33 67.65 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 -0.28 -0.45 -1.61 4.78 5.04 -1.25 -2.42 117.35 121.17 1de3 s TYR 126 Ca 0.00 1.02 0.24 0.00 -2.44 0.00 0.00 57.07 55.89 1de3 s TYR 126 Cb 0.00 0.39 1.30 0.00 0.35 0.00 0.00 41.96 43.99 1de3 s TYR 126 CO 0.00 -0.27 1.81 -0.35 -1.34 0.00 0.00 175.55 175.40 1de3 n PRO 127 N 1.78 0.48 -0.26 4.97 -0.04 -1.26 -4.19 135.00 136.48 1de3 n PRO 127 Ca -0.12 0.04 0.07 0.00 -0.04 0.00 0.00 63.50 63.45 1de3 n PRO 127 Cb 0.56 -1.50 0.19 0.00 -0.04 0.00 0.00 33.50 32.72 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 -0.08 -2.71 3.54 2.35 -1.95 -3.45 115.58 113.28 1de3 h ASN 128 Ca 0.00 0.17 -0.40 0.00 -0.55 0.00 0.00 56.30 55.52 1de3 h ASN 128 Cb 0.15 0.25 -0.05 0.00 0.05 0.00 0.00 38.32 38.72 1de3 h ASN 128 CO 0.00 -0.10 -0.48 0.29 -1.65 0.00 0.00 177.43 175.50 1de3 n LYS 129 N -5.22 -1.70 -1.80 0.81 5.02 -1.02 -4.83 118.16 109.43 1de3 n LYS 129 Ca 0.15 1.00 -0.20 0.00 -2.02 0.00 0.00 58.31 57.24 1de3 n LYS 129 Cb 0.50 -5.60 -0.06 0.00 -0.02 0.00 0.00 35.03 29.85 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 -2.92 3.22 -0.34 -0.18 1.01 -1.26 -4.60 120.40 115.32 1de3 s VAL 130 Ca 0.00 -0.20 -0.39 0.00 0.00 0.00 0.00 61.98 61.38 1de3 s VAL 130 Cb 0.00 -3.56 -0.17 0.00 0.00 0.00 0.00 36.38 32.65 1de3 s VAL 130 CO 0.00 -0.46 1.29 0.33 0.00 0.00 0.00 175.10 176.26 1de3 n PHE 131 N 16.58 1.32 -0.07 5.22 7.35 -1.26 -3.39 117.46 143.20 1de3 n PHE 131 Ca 0.44 0.98 -0.06 0.00 -0.76 0.00 0.00 57.45 58.05 1de3 n PHE 131 Cb 0.45 -1.91 -0.02 0.00 0.35 0.00 0.00 39.48 38.35 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 1.57 0.93 3.09 0.00 0.00 -1.17 -4.96 105.19 104.65 1de3 n GLY 133 Ca -0.09 -0.79 -0.25 0.00 0.00 0.00 0.00 46.02 44.88 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 -2.26 1.29 -0.04 -0.61 1.09 -1.26 -0.49 121.20 118.93 1de3 s ILE 134 Ca 0.00 -0.61 0.04 0.00 -1.10 0.00 0.00 60.65 58.98 1de3 s ILE 134 Cb 0.00 -1.13 -0.00 0.00 -1.06 0.00 0.00 42.46 40.26 1de3 s ILE 134 CO 0.00 0.38 -0.17 0.27 -0.10 0.00 0.00 174.94 175.32 1de3 s ILE 135 N 0.29 1.41 0.09 2.92 -4.36 0.28 -0.48 121.20 121.35 1de3 s ILE 135 Ca -0.08 -0.71 0.04 0.00 -0.26 0.00 0.00 60.65 59.64 1de3 s ILE 135 Cb -0.13 -1.21 -0.03 0.00 1.25 0.00 0.00 42.46 42.33 1de3 s ILE 135 CO 0.03 0.41 -0.11 0.00 0.24 0.00 0.00 174.94 175.51 1de3 s ALA 136 N 0.02 1.08 -0.60 2.27 0.00 -0.99 0.20 121.76 123.73 1de3 s ALA 136 Ca -0.03 -1.12 -0.25 0.00 0.00 0.00 0.00 51.96 50.56 1de3 s ALA 136 Cb -0.11 0.01 0.04 0.00 0.00 0.00 0.00 23.12 23.06 1de3 s ALA 136 CO 0.02 0.00 1.02 -1.01 0.00 0.00 0.00 175.76 175.79 1de3 s HIS 137 N -2.13 2.68 0.59 0.00 0.09 -1.26 -0.08 115.29 115.18 1de3 s HIS 137 Ca 0.03 -0.06 0.31 0.00 -0.00 0.00 0.00 55.06 55.33 1de3 s HIS 137 Cb -0.05 -4.25 1.27 0.00 -0.00 0.00 0.00 32.58 29.55 1de3 s HIS 137 CO 0.00 -1.53 1.59 1.79 -0.00 0.00 0.00 174.74 176.60 1de3 h THR 138 N 6.03 0.17 -3.61 1.30 1.35 -1.75 -2.62 112.91 113.78 1de3 h THR 138 Ca -0.27 0.00 -0.76 0.00 -0.55 0.00 0.00 66.41 64.83 1de3 h THR 138 Cb 1.07 0.27 -0.30 0.00 -1.73 0.00 0.00 68.15 67.46 1de3 h THR 138 CO 1.14 0.00 0.12 -0.75 -0.25 0.00 0.00 175.52 175.79 1de3 s LYS 139 N -4.59 3.62 3.22 4.72 2.47 -1.26 0.30 119.74 128.21 1de3 s LYS 139 Ca -0.04 -2.90 0.00 0.00 -1.56 0.00 0.00 55.97 51.48 1de3 s LYS 139 Cb 0.17 -4.29 0.00 0.00 -1.46 0.00 0.00 37.83 32.24 1de3 s LYS 139 CO 0.57 -1.25 0.00 0.39 0.16 0.00 0.00 175.35 175.22 1de3 n GLU 140 N 3.15 0.00 -1.90 4.03 1.02 -0.97 -1.89 120.64 124.08 1de3 n GLU 140 Ca 0.18 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.32 1de3 n GLU 140 Cb 0.41 0.00 0.02 0.00 -0.02 0.00 0.00 31.44 31.86 1de3 n GLU 140 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 1de3 n ASN 141 N 6.09 0.47 0.00 1.62 6.94 -1.25 -4.41 115.26 124.72 1de3 n ASN 141 Ca 0.00 -2.03 0.00 0.00 -0.02 0.00 0.00 54.58 52.53 1de3 n ASN 141 Cb 0.00 -0.11 0.00 0.00 -2.36 0.00 0.00 39.78 37.31 1de3 n ASN 141 CO 0.00 0.00 0.00 1.67 -1.03 0.00 0.00 177.26 177.90 1de3 n GLN 142 N -0.13 0.00 -0.67 -3.83 7.27 -0.79 -4.90 117.38 114.32 1de3 n GLN 142 Ca -0.03 0.00 -0.30 0.00 0.07 0.00 0.00 57.00 56.73 1de3 n GLN 142 Cb 0.94 -0.37 0.16 0.00 2.41 0.00 0.00 30.24 33.37 1de3 n GLN 142 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1de3 n GLY 143 N 1.20 -2.57 3.67 1.69 0.00 -0.87 -4.79 105.19 103.51 1de3 n GLY 143 Ca 0.00 -0.73 -0.48 0.00 0.00 0.00 0.00 46.02 44.81 1de3 n GLY 143 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1de3 n GLU 144 N -1.56 2.07 -1.58 1.61 4.71 -1.26 -4.46 120.64 120.17 1de3 n GLU 144 Ca 0.01 0.75 -0.36 0.00 -0.01 0.00 0.00 57.16 57.55 1de3 n GLU 144 Cb 0.59 -2.55 -0.03 0.00 -1.01 0.00 0.00 31.44 28.44 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 2.73 3.40 -0.33 -4.62 1.43 -1.26 -2.99 118.68 117.05 1de3 s LEU 145 Ca 0.88 1.09 -0.18 0.00 -1.03 0.00 0.00 54.13 54.89 1de3 s LEU 145 Cb -0.72 -2.55 -0.01 0.00 0.03 0.00 0.00 46.19 42.94 1de3 s LEU 145 CO 0.47 -2.83 0.50 -0.75 0.23 0.00 0.00 176.35 173.98 1de3 s LYS 146 N 8.14 3.73 -0.60 1.70 2.20 0.88 -4.80 119.74 130.99 1de3 s LYS 146 Ca 0.96 -0.06 -0.36 0.00 -0.36 0.00 0.00 55.97 56.16 1de3 s LYS 146 Cb -0.18 -3.77 -0.16 0.00 -1.51 0.00 0.00 37.83 32.21 1de3 s LYS 146 CO 0.26 -0.56 2.35 -0.11 -0.36 0.00 0.00 175.35 176.93 1de3 n LEU 147 N 5.67 1.21 -4.35 5.43 7.94 -1.26 -2.36 117.00 129.29 1de3 n LEU 147 Ca -0.05 0.32 -0.31 0.00 -1.11 0.00 0.00 56.01 54.86 1de3 n LEU 147 Cb 0.49 -1.09 0.21 0.00 0.53 0.00 0.00 43.42 43.56 1de3 n LEU 147 CO 0.44 -0.83 -0.14 0.00 -1.11 0.00 0.00 177.39 175.74 1de3 s SER 149 N -2.05 0.57 0.00 0.00 1.04 -0.35 -4.82 113.70 108.08 1de3 s SER 149 Ca 0.61 -0.64 0.00 0.00 0.48 0.00 0.00 55.95 56.40 1de3 s SER 149 Cb -0.17 0.09 0.00 0.00 0.10 0.00 0.00 66.02 66.04 1de3 s SER 149 CO 0.66 -0.33 0.46 0.00 0.98 0.00 0.00 173.24 175.01