#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3e1b s LYS 2 N 0.00 3.63 -0.43 0.00 1.02 -1.26 -5.08 119.74 117.63 3e1b s LYS 2 Ca 0.00 -0.05 0.05 0.00 0.02 0.00 0.00 55.97 55.99 3e1b s LYS 2 Cb 0.00 -2.91 0.18 0.00 -0.52 0.00 0.00 37.83 34.58 3e1b s LYS 2 CO 0.00 0.51 0.42 1.17 -0.92 0.00 0.00 175.35 176.54 3e1b n LYS 3 N 0.39 0.28 -0.90 1.68 4.81 -1.26 -5.08 118.16 118.08 3e1b n LYS 3 Ca -0.05 -2.97 -0.41 0.00 -0.87 0.00 0.00 58.31 54.01 3e1b n LYS 3 Cb 0.52 -1.60 -0.08 0.00 0.02 0.00 0.00 35.03 33.89 3e1b n LYS 3 CO 0.00 0.00 0.00 1.55 1.17 0.00 0.00 177.40 180.12 3e1b n VAL 4 N 2.74 0.00 -3.73 3.15 3.14 -1.26 -4.96 118.33 117.41 3e1b n VAL 4 Ca 0.27 0.00 -0.03 0.00 -2.96 0.00 0.00 64.34 61.62 3e1b n VAL 4 Cb 0.50 -0.33 -0.01 0.00 -1.06 0.00 0.00 33.84 32.94 3e1b n VAL 4 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3e1b n GLN 5 N 4.48 0.15 0.00 1.45 6.02 -1.26 -5.08 117.38 123.14 3e1b n GLN 5 Ca 0.33 -0.65 0.00 0.00 -0.01 0.00 0.00 57.00 56.67 3e1b n GLN 5 Cb -0.03 0.61 0.00 0.00 1.02 0.00 0.00 30.24 31.84 3e1b n GLN 5 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3e1b n ALA 6 N -2.48 1.94 -2.00 -1.58 0.00 -1.26 -4.67 120.51 110.46 3e1b n ALA 6 Ca -0.03 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.15 3e1b n ALA 6 Cb 0.13 -1.00 -0.06 0.00 0.00 0.00 0.00 19.45 18.52 3e1b n ALA 6 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 3e1b s TYR 7 N -1.55 1.79 0.57 0.00 -0.85 -1.25 -3.14 117.35 112.93 3e1b s TYR 7 Ca 0.00 0.75 -0.21 0.00 -0.52 0.00 0.00 57.07 57.10 3e1b s TYR 7 Cb 0.00 -3.94 -0.04 0.00 0.38 0.00 0.00 41.96 38.36 3e1b s TYR 7 CO 0.00 -1.41 1.31 0.08 -1.52 0.00 0.00 175.55 174.02 3e1b s VAL 8 N 11.29 2.20 0.21 -3.49 1.01 -1.07 -4.55 120.40 125.99 3e1b s VAL 8 Ca 0.71 0.14 0.08 0.00 0.00 0.00 0.00 61.98 62.91 3e1b s VAL 8 Cb -0.04 -3.07 -0.04 0.00 0.00 0.00 0.00 36.38 33.23 3e1b s VAL 8 CO 0.08 -0.01 0.03 -1.59 0.00 0.00 0.00 175.10 173.60 3e1b s LYS 9 N -3.04 2.45 0.24 2.72 -2.85 -1.26 0.03 119.74 118.03 3e1b s LYS 9 Ca 0.74 -1.17 -0.04 0.00 -1.00 0.00 0.00 55.97 54.50 3e1b s LYS 9 Cb -0.38 -2.34 0.02 0.00 -2.06 0.00 0.00 37.83 33.07 3e1b s LYS 9 CO 0.43 0.43 0.39 1.28 0.10 0.00 0.00 175.35 177.98 3e1b n LEU 10 N -0.44 0.00 -2.76 2.77 4.77 -0.33 -4.99 117.00 116.02 3e1b n LEU 10 Ca -0.09 -1.77 -0.01 0.00 -0.03 0.00 0.00 56.01 54.11 3e1b n LEU 10 Cb 0.56 1.94 0.09 0.00 -2.33 0.00 0.00 43.42 43.68 3e1b n LEU 10 CO 0.40 -0.47 0.28 0.00 -1.33 0.00 0.00 177.39 176.27 3e1b n GLN 11 N -0.36 1.55 -0.81 3.23 1.13 -1.26 -1.42 117.38 119.43 3e1b n GLN 11 Ca -0.02 -2.47 -0.30 0.00 -1.94 0.00 0.00 57.00 52.27 3e1b n GLN 11 Cb 0.38 -0.68 0.17 0.00 0.11 0.00 0.00 30.24 30.21 3e1b n GLN 11 CO 0.00 0.00 0.00 0.14 -1.44 0.00 0.00 177.06 175.76 3e1b s VAL 12 N -1.99 2.32 0.24 5.09 -7.23 -1.20 -4.54 120.40 113.08 3e1b s VAL 12 Ca 0.19 0.10 -0.30 0.00 -1.81 0.00 0.00 61.98 60.17 3e1b s VAL 12 Cb 0.38 -2.25 -0.09 0.00 0.56 0.00 0.00 36.38 34.98 3e1b s VAL 12 CO -0.08 -0.14 1.15 0.00 -0.31 0.00 0.00 175.10 175.73 3e1b s ALA 13 N -2.69 3.42 0.29 1.32 0.00 -1.26 -1.45 121.76 121.40 3e1b s ALA 13 Ca 0.66 0.94 -0.30 0.00 0.00 0.00 0.00 51.96 53.26 3e1b s ALA 13 Cb -0.22 -3.37 -0.11 0.00 0.00 0.00 0.00 23.12 19.42 3e1b s ALA 13 CO 0.59 -0.28 1.55 0.00 0.00 0.00 0.00 175.76 177.61 3e1b s ALA 14 N -0.67 3.70 0.00 0.00 0.00 -1.14 -2.89 121.76 120.76 3e1b s ALA 14 Ca 0.48 1.52 0.00 0.00 0.00 0.00 0.00 51.96 53.96 3e1b s ALA 14 Cb -0.33 -3.62 0.00 0.00 0.00 0.00 0.00 23.12 19.17 3e1b s ALA 14 CO 0.40 -0.94 0.00 0.41 0.00 0.00 0.00 175.76 175.63 3e1b n GLY 15 N 1.96 0.24 0.18 0.00 0.00 -1.24 -4.39 105.19 101.93 3e1b n GLY 15 Ca 0.07 -0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.15 3e1b n GLY 15 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 3e1b n MET 16 N 0.00 1.23 -0.32 1.61 0.00 -1.21 -4.12 117.12 114.31 3e1b n MET 16 Ca 0.00 -0.35 -0.14 0.00 0.00 0.00 0.00 57.70 57.21 3e1b n MET 16 Cb 0.00 -1.21 -0.04 0.00 0.00 0.00 0.00 33.22 31.97 3e1b n MET 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3e1b n ALA 17 N -0.33 0.70 0.00 -5.12 0.00 -1.14 -4.45 120.51 110.17 3e1b n ALA 17 Ca 0.10 -0.86 0.00 0.00 0.00 0.00 0.00 53.44 52.67 3e1b n ALA 17 Cb 0.12 -2.27 0.00 0.00 0.00 0.00 0.00 19.45 17.30 3e1b n ALA 17 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3e1b n ASN 18 N 5.70 2.00 -4.75 0.00 5.15 -1.26 -4.66 115.26 117.44 3e1b n ASN 18 Ca 0.14 0.00 -0.42 0.00 -0.60 0.00 0.00 54.58 53.71 3e1b n ASN 18 Cb 0.15 0.12 -0.02 0.00 -0.53 0.00 0.00 39.78 39.51 3e1b n ASN 18 CO 0.00 0.00 0.00 -2.84 1.40 0.00 0.00 177.26 175.82 3e1b s PRO 19 N -1.44 4.12 0.12 1.20 0.02 -1.26 -5.02 135.00 132.74 3e1b s PRO 19 Ca 0.00 2.58 -0.08 0.00 0.02 0.00 0.00 61.00 63.52 3e1b s PRO 19 Cb 0.00 -3.03 -0.11 0.00 0.02 0.00 0.00 34.50 31.39 3e1b s PRO 19 CO 0.00 -0.64 1.31 0.77 -0.33 0.00 0.00 177.00 178.11 3e1b h SER 20 N 5.00 0.73 -0.68 2.53 0.02 -1.98 -3.42 113.55 115.75 3e1b h SER 20 Ca -0.47 -0.53 0.09 0.00 -0.84 0.00 0.00 61.79 60.05 3e1b h SER 20 Cb 1.22 -0.22 -0.10 0.00 0.14 0.00 0.00 62.40 63.44 3e1b h SER 20 CO 0.81 1.31 -0.30 -2.65 -1.14 0.00 0.00 176.83 174.86 3e1b n PRO 21 N -3.85 -0.19 0.00 3.45 -0.02 -1.26 -0.96 135.00 132.17 3e1b n PRO 21 Ca -0.07 1.04 0.04 0.00 -2.02 0.00 0.00 63.50 62.48 3e1b n PRO 21 Cb 0.79 -1.53 0.19 0.00 -0.02 0.00 0.00 33.50 32.92 3e1b n PRO 21 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3e1b n PRO 22 N -4.96 0.00 0.00 0.52 -0.04 -1.26 -3.92 135.00 125.35 3e1b n PRO 22 Ca 0.05 0.36 0.00 0.00 -0.04 0.00 0.00 63.50 63.87 3e1b n PRO 22 Cb 0.25 -1.51 0.00 0.00 -0.04 0.00 0.00 33.50 32.20 3e1b n PRO 22 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 3e1b n VAL 23 N -1.52 0.00 -0.73 0.52 0.31 -0.55 -4.80 118.33 111.56 3e1b n VAL 23 Ca 0.02 0.18 0.00 0.00 -0.01 0.00 0.00 64.34 64.53 3e1b n VAL 23 Cb 0.10 -1.09 0.00 0.00 -0.91 0.00 0.00 33.84 31.94 3e1b n VAL 23 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3e1b n GLY 24 N 2.65 2.24 0.15 2.92 0.00 -0.13 -3.11 105.19 109.91 3e1b n GLY 24 Ca 0.00 -0.17 0.11 0.00 0.00 0.00 0.00 46.02 45.96 3e1b n GLY 24 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3e1b n PRO 25 N 14.00 0.14 -0.22 1.61 -0.02 -1.26 -1.07 135.00 148.19 3e1b n PRO 25 Ca 0.00 0.60 -0.02 0.00 -2.02 0.00 0.00 63.50 62.06 3e1b n PRO 25 Cb 0.00 -1.93 0.09 0.00 -0.02 0.00 0.00 33.50 31.65 3e1b n PRO 25 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3e1b h ALA 26 N 2.04 0.85 0.00 3.55 0.00 -1.96 -0.91 119.26 122.83 3e1b h ALA 26 Ca 0.00 0.03 -0.21 0.00 0.00 0.00 0.00 54.91 54.73 3e1b h ALA 26 Cb 0.06 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 3e1b h ALA 26 CO 0.00 -0.01 -1.72 1.28 0.00 0.00 0.00 179.25 178.79 3e1b n LEU 27 N -4.83 0.58 -0.04 0.00 4.77 -1.13 -4.02 117.00 112.33 3e1b n LEU 27 Ca 0.08 0.26 -0.13 0.00 -0.03 0.00 0.00 56.01 56.19 3e1b n LEU 27 Cb 0.19 0.17 -0.11 0.00 -2.33 0.00 0.00 43.42 41.33 3e1b n LEU 27 CO 0.28 0.23 0.47 1.23 -1.33 0.00 0.00 177.39 178.28 3e1b h GLY 28 N 3.78 -0.02 2.00 -0.72 0.00 -0.98 -2.12 103.07 105.02 3e1b h GLY 28 Ca -0.24 0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.09 3e1b h GLY 28 CO 0.04 -0.01 0.00 -0.18 0.00 0.00 0.00 176.54 176.39 3e1b n GLN 29 N -4.73 0.14 0.02 4.80 -0.06 -0.36 -0.34 117.38 116.85 3e1b n GLN 29 Ca -0.09 0.41 0.10 0.00 -2.00 0.00 0.00 57.00 55.42 3e1b n GLN 29 Cb 0.37 -1.78 0.42 0.00 -4.06 0.00 0.00 30.24 25.18 3e1b n GLN 29 CO 0.00 0.00 0.00 0.94 -0.20 0.00 0.00 177.06 177.80 3e1b n GLN 30 N -2.04 0.04 0.00 3.69 -0.06 -1.19 -4.97 117.38 112.84 3e1b n GLN 30 Ca 0.02 0.20 0.00 0.00 -2.00 0.00 0.00 57.00 55.22 3e1b n GLN 30 Cb 0.18 -1.56 0.00 0.00 -4.06 0.00 0.00 30.24 24.80 3e1b n GLN 30 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 3e1b n GLY 31 N 0.47 2.06 3.60 1.69 0.00 0.54 -4.98 105.19 108.57 3e1b n GLY 31 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 3e1b n GLY 31 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3e1b n VAL 32 N -2.00 2.48 -1.96 1.61 0.31 -0.88 -4.90 118.33 113.00 3e1b n VAL 32 Ca 0.00 -0.50 -0.40 0.00 -0.01 0.00 0.00 64.34 63.43 3e1b n VAL 32 Cb 0.00 -1.13 -0.03 0.00 -0.91 0.00 0.00 33.84 31.77 3e1b n VAL 32 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 3e1b s ASN 33 N -0.78 5.39 0.25 4.52 -0.87 -1.26 -4.78 114.94 117.41 3e1b s ASN 33 Ca 0.64 0.79 0.24 0.00 -1.57 0.00 0.00 52.86 52.97 3e1b s ASN 33 Cb -0.55 -2.52 0.95 0.00 -0.02 0.00 0.00 41.25 39.10 3e1b s ASN 33 CO 0.56 -2.20 1.73 -0.38 -2.57 0.00 0.00 177.10 174.24 3e1b n ILE 34 N 7.39 0.77 0.24 0.60 5.41 -1.26 -1.07 119.36 131.45 3e1b n ILE 34 Ca 0.23 0.12 0.12 0.00 1.00 0.00 0.00 62.75 64.22 3e1b n ILE 34 Cb 0.50 -1.04 0.60 0.00 -0.71 0.00 0.00 39.64 39.00 3e1b n ILE 34 CO 0.00 0.00 0.00 -0.03 0.00 0.00 0.00 176.55 176.52 3e1b h MET 35 N 0.00 0.00 0.00 0.38 4.05 -2.00 -1.48 114.93 115.88 3e1b h MET 35 Ca 0.00 0.00 -0.00 0.00 -0.28 0.00 0.00 59.70 59.42 3e1b h MET 35 Cb 0.45 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.25 3e1b h MET 35 CO 0.00 0.16 -0.00 0.93 0.23 0.00 0.00 176.91 178.23 3e1b h GLU 36 N 0.00 -0.01 0.14 0.39 4.39 -1.50 -3.35 114.58 114.64 3e1b h GLU 36 Ca -0.00 0.00 0.01 0.00 0.34 0.00 0.00 59.36 59.71 3e1b h GLU 36 Cb 0.56 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.16 3e1b h GLU 36 CO 0.02 0.85 -0.50 0.35 -1.16 0.00 0.00 179.01 178.57 3e1b h PHE 37 N -0.90 -1.45 -0.56 4.33 3.04 -1.44 -2.84 116.94 117.13 3e1b h PHE 37 Ca -0.00 0.04 0.02 0.00 3.98 0.00 0.00 57.97 62.01 3e1b h PHE 37 Cb 0.86 0.61 -0.04 0.00 2.56 0.00 0.00 35.95 39.95 3e1b h PHE 37 CO 0.23 -0.59 0.34 0.00 -2.02 0.00 0.00 178.31 176.27 3e1b h LYS 39 N 0.67 1.13 0.09 0.00 2.10 -1.69 -3.21 116.57 115.66 3e1b h LYS 39 Ca 0.22 -0.14 -0.25 0.00 -2.00 0.00 0.00 60.65 58.49 3e1b h LYS 39 Cb 0.02 -0.22 0.02 0.00 -0.90 0.00 0.00 32.23 31.16 3e1b h LYS 39 CO -0.10 0.84 -1.02 0.00 -2.00 0.00 0.00 179.45 177.18 3e1b h ALA 40 N 1.23 0.00 -0.67 0.07 0.00 -0.89 -2.29 119.26 116.71 3e1b h ALA 40 Ca 0.28 -0.71 0.14 0.00 0.00 0.00 0.00 54.91 54.62 3e1b h ALA 40 Cb 0.05 0.09 -0.10 0.00 0.00 0.00 0.00 17.79 17.84 3e1b h ALA 40 CO -0.04 0.56 0.14 0.35 0.00 0.00 0.00 179.25 180.26 3e1b h PHE 41 N 0.09 0.22 0.36 0.00 3.57 -0.83 -3.27 116.94 117.09 3e1b h PHE 41 Ca -0.15 0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.37 3e1b h PHE 41 Cb 1.72 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.47 3e1b h PHE 41 CO 0.14 -0.06 -0.18 -0.97 -2.23 0.00 0.00 178.31 175.01 3e1b h ASN 42 N 0.26 -0.42 -0.22 0.41 -0.73 -1.54 -1.65 115.58 111.70 3e1b h ASN 42 Ca 0.36 -0.14 0.06 0.00 1.87 0.00 0.00 56.30 58.45 3e1b h ASN 42 Cb 0.58 0.11 -0.07 0.00 0.27 0.00 0.00 38.32 39.21 3e1b h ASN 42 CO -0.46 -0.05 -0.28 0.00 -0.37 0.00 0.00 177.43 176.26 3e1b h ALA 43 N -0.36 -0.23 -1.57 1.57 0.00 -1.52 -2.72 119.26 114.42 3e1b h ALA 43 Ca -0.05 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3e1b h ALA 43 Cb 0.53 0.57 0.00 0.00 0.00 0.00 0.00 17.79 18.89 3e1b h ALA 43 CO 0.08 -0.72 0.00 1.17 0.00 0.00 0.00 179.25 179.78 3e1b n LYS 44 N -5.39 0.00 0.26 0.00 4.81 -1.23 -4.41 118.16 112.19 3e1b n LYS 44 Ca -0.02 0.24 0.18 0.00 -0.87 0.00 0.00 58.31 57.84 3e1b n LYS 44 Cb 0.31 -1.19 0.85 0.00 0.02 0.00 0.00 35.03 35.02 3e1b n LYS 44 CO 0.00 0.00 0.00 1.79 1.17 0.00 0.00 177.40 180.36 3e1b h THR 45 N 0.00 0.00 -0.20 3.15 1.35 -1.32 -1.25 112.91 114.64 3e1b h THR 45 Ca 0.00 -0.18 0.06 0.00 -0.55 0.00 0.00 66.41 65.74 3e1b h THR 45 Cb 0.00 1.05 -0.01 0.00 -1.73 0.00 0.00 68.15 67.46 3e1b h THR 45 CO 0.00 0.00 0.44 -0.78 -0.25 0.00 0.00 175.52 174.93 3e1b h ASP 46 N 0.00 0.00 0.96 5.36 3.58 -1.69 0.24 116.42 124.87 3e1b h ASP 46 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 3e1b h ASP 46 Cb 0.20 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.25 3e1b h ASP 46 CO 0.00 0.00 -0.14 -0.24 -2.88 0.00 0.00 179.24 175.98 3e1b n SER 47 N -3.23 0.27 -0.03 2.28 2.88 -0.47 -4.01 113.62 111.31 3e1b n SER 47 Ca 0.03 0.34 -0.15 0.00 -1.33 0.00 0.00 58.87 57.75 3e1b n SER 47 Cb 0.54 -0.35 -0.14 0.00 -0.75 0.00 0.00 64.21 63.51 3e1b n SER 47 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 3e1b n ILE 48 N -1.65 1.66 -3.93 2.46 -0.00 0.80 -5.01 119.36 113.69 3e1b n ILE 48 Ca 0.06 -0.72 -0.08 0.00 -0.00 0.00 0.00 62.75 62.01 3e1b n ILE 48 Cb 0.36 -1.33 -0.03 0.00 -0.00 0.00 0.00 39.64 38.64 3e1b n ILE 48 CO 0.00 0.00 0.00 -0.70 -0.00 0.00 0.00 176.55 175.85 3e1b s GLU 49 N -2.57 1.70 0.01 0.38 -6.30 -1.06 -4.95 118.70 105.91 3e1b s GLU 49 Ca -0.15 -1.15 0.20 0.00 -2.50 0.00 0.00 54.97 51.36 3e1b s GLU 49 Cb 0.07 0.54 -0.20 0.00 0.00 0.00 0.00 34.13 34.55 3e1b s GLU 49 CO 0.78 -0.74 0.61 1.63 0.02 0.00 0.00 175.26 177.56 3e1b n LYS 50 N -0.43 0.64 0.00 4.30 4.76 -1.26 -4.40 118.16 121.77 3e1b n LYS 50 Ca -0.03 0.04 0.00 0.00 -2.87 0.00 0.00 58.31 55.45 3e1b n LYS 50 Cb 0.60 -1.67 0.00 0.00 -1.84 0.00 0.00 35.03 32.12 3e1b n LYS 50 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3e1b n GLY 51 N 1.39 0.00 3.76 0.72 0.00 -1.26 -4.88 105.19 104.92 3e1b n GLY 51 Ca -0.11 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.52 3e1b n GLY 51 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3e1b s LEU 52 N 0.00 4.02 0.42 0.99 1.43 -1.26 -4.90 118.68 119.38 3e1b s LEU 52 Ca 0.00 2.89 -0.23 0.00 -1.03 0.00 0.00 54.13 55.76 3e1b s LEU 52 Cb 0.00 -4.05 -0.09 0.00 0.03 0.00 0.00 46.19 42.09 3e1b s LEU 52 CO 0.00 -1.33 1.05 -2.16 0.23 0.00 0.00 176.35 174.14 3e1b s PRO 53 N -2.61 4.07 0.03 1.29 0.04 -1.26 -2.87 135.00 133.69 3e1b s PRO 53 Ca 0.65 1.49 0.02 0.00 0.04 0.00 0.00 61.00 63.20 3e1b s PRO 53 Cb -0.43 -2.44 -0.02 0.00 0.04 0.00 0.00 34.50 31.65 3e1b s PRO 53 CO 0.54 -0.22 -0.07 0.96 0.04 0.00 0.00 177.00 178.25 3e1b s ILE 54 N -1.72 0.50 0.65 0.56 -0.00 -0.53 -4.15 121.20 116.51 3e1b s ILE 54 Ca 0.60 -0.91 -0.15 0.00 -0.00 0.00 0.00 60.65 60.18 3e1b s ILE 54 Cb -0.21 -0.55 -0.00 0.00 -0.00 0.00 0.00 42.46 41.70 3e1b s ILE 54 CO 0.26 -0.29 1.11 -2.84 -0.00 0.00 0.00 174.94 173.18 3e1b s PRO 55 N -1.30 2.84 0.03 0.37 0.02 -1.26 -3.24 135.00 132.46 3e1b s PRO 55 Ca -0.08 1.40 -0.10 0.00 0.02 0.00 0.00 61.00 62.24 3e1b s PRO 55 Cb -0.08 -1.96 0.01 0.00 0.02 0.00 0.00 34.50 32.49 3e1b s PRO 55 CO 0.00 -1.22 0.20 0.54 -0.33 0.00 0.00 177.00 176.19 3e1b s VAL 56 N -2.32 0.10 -0.04 3.83 0.11 -0.51 -1.59 120.40 119.99 3e1b s VAL 56 Ca 0.67 -0.85 0.05 0.00 -2.93 0.00 0.00 61.98 58.93 3e1b s VAL 56 Cb -0.21 -0.85 -0.01 0.00 -1.53 0.00 0.00 36.38 33.78 3e1b s VAL 56 CO 0.41 -0.47 -0.20 0.68 -3.33 0.00 0.00 175.10 172.19 3e1b s VAL 57 N -2.40 1.60 -0.65 2.04 -7.23 -1.12 -1.19 120.40 111.45 3e1b s VAL 57 Ca -0.06 -0.83 0.05 0.00 -1.81 0.00 0.00 61.98 59.33 3e1b s VAL 57 Cb -0.02 -1.35 0.18 0.00 0.56 0.00 0.00 36.38 35.75 3e1b s VAL 57 CO -0.03 0.45 0.50 -0.38 -0.31 0.00 0.00 175.10 175.34 3e1b n ILE 58 N 2.92 1.25 -1.55 -0.62 -0.00 0.10 -1.16 119.36 120.30 3e1b n ILE 58 Ca -0.17 -4.68 -0.17 0.00 -0.00 0.00 0.00 62.75 57.73 3e1b n ILE 58 Cb 0.53 -2.10 -0.08 0.00 -0.00 0.00 0.00 39.64 37.99 3e1b n ILE 58 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.55 176.96 3e1b n THR 59 N 1.96 -0.01 -2.75 1.39 -1.04 -0.96 -2.61 114.28 110.26 3e1b n THR 59 Ca 0.22 -0.53 -0.37 0.00 -2.04 0.00 0.00 64.05 61.34 3e1b n THR 59 Cb 0.38 -1.93 -0.06 0.00 -1.82 0.00 0.00 70.33 66.90 3e1b n THR 59 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 3e1b s VAL 60 N 13.38 4.15 0.21 12.58 1.01 -1.19 -1.27 120.40 149.28 3e1b s VAL 60 Ca 0.97 1.72 0.03 0.00 0.00 0.00 0.00 61.98 64.71 3e1b s VAL 60 Cb -0.20 -3.93 -0.03 0.00 0.00 0.00 0.00 36.38 32.21 3e1b s VAL 60 CO 0.15 0.08 0.36 -0.31 0.00 0.00 0.00 175.10 175.38 3e1b s TYR 61 N -1.67 3.47 0.57 5.22 2.02 0.10 -4.61 117.35 122.45 3e1b s TYR 61 Ca 0.52 0.10 0.26 0.00 -0.37 0.00 0.00 57.07 57.59 3e1b s TYR 61 Cb -0.18 -1.67 1.57 0.00 -0.40 0.00 0.00 41.96 41.28 3e1b s TYR 61 CO 0.24 0.43 2.09 0.00 -1.57 0.00 0.00 175.55 176.74 3e1b h ALA 62 N 1.55 1.94 -0.59 3.71 0.00 -1.99 -2.30 119.26 121.59 3e1b h ALA 62 Ca -0.50 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.40 3e1b h ALA 62 Cb 1.21 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.02 3e1b h ALA 62 CO 0.64 -0.31 0.00 -0.40 0.00 0.00 0.00 179.25 179.18 3e1b n ASP 63 N -4.00 5.62 0.00 0.00 5.68 -1.26 -4.93 116.55 117.66 3e1b n ASP 63 Ca 0.02 -2.86 0.00 0.00 -0.50 0.00 0.00 54.79 51.45 3e1b n ASP 63 Cb 0.34 -0.67 0.00 0.00 -1.14 0.00 0.00 41.12 39.64 3e1b n ASP 63 CO 0.00 0.00 0.00 -2.11 -1.33 0.00 0.00 177.20 173.76 3e1b n ARG 64 N 0.71 0.00 -1.24 0.11 -4.01 -0.86 -5.05 116.66 106.32 3e1b n ARG 64 Ca 0.28 0.00 -0.29 0.00 -1.04 0.00 0.00 57.85 56.80 3e1b n ARG 64 Cb 1.16 -2.27 0.18 0.00 -3.04 0.00 0.00 32.46 28.48 3e1b n ARG 64 CO 0.00 0.00 0.00 0.45 -3.04 0.00 0.00 177.63 175.04 3e1b s SER 65 N -2.76 2.60 0.31 2.89 0.15 -1.26 -4.10 113.70 111.54 3e1b s SER 65 Ca 0.00 1.08 -0.13 0.00 0.70 0.00 0.00 55.95 57.60 3e1b s SER 65 Cb 0.00 -1.70 0.02 0.00 -1.71 0.00 0.00 66.02 62.63 3e1b s SER 65 CO 0.00 -3.13 0.61 0.72 1.20 0.00 0.00 173.24 172.64 3e1b s PHE 66 N -3.04 0.33 0.20 3.44 -0.12 -1.26 0.03 117.98 117.56 3e1b s PHE 66 Ca 0.66 -0.77 0.03 0.00 -0.05 0.00 0.00 56.93 56.80 3e1b s PHE 66 Cb -0.17 0.42 -0.05 0.00 -0.63 0.00 0.00 43.02 42.59 3e1b s PHE 66 CO 0.57 -1.23 -0.02 -0.08 -0.05 0.00 0.00 175.22 174.40 3e1b s THR 67 N -3.33 0.96 0.10 -4.49 -1.32 -0.39 -4.90 115.64 102.27 3e1b s THR 67 Ca 0.20 -2.02 0.02 0.00 -1.21 0.00 0.00 61.69 58.68 3e1b s THR 67 Cb -0.03 -2.20 -0.04 0.00 -1.51 0.00 0.00 72.50 68.72 3e1b s THR 67 CO 0.12 -0.44 -0.07 0.72 -2.21 0.00 0.00 174.62 172.73 3e1b s PHE 68 N -3.47 0.95 -0.27 9.09 -0.71 -1.26 -2.26 117.98 120.06 3e1b s PHE 68 Ca 0.25 -0.87 -0.00 0.00 -1.04 0.00 0.00 56.93 55.27 3e1b s PHE 68 Cb 0.05 -0.54 0.08 0.00 -1.21 0.00 0.00 43.02 41.41 3e1b s PHE 68 CO 0.06 -0.10 0.04 0.08 -1.34 0.00 0.00 175.22 173.95 3e1b s VAL 69 N -3.46 1.16 -0.11 -2.49 1.01 -0.30 -5.00 120.40 111.21 3e1b s VAL 69 Ca 0.12 -1.30 -0.21 0.00 0.00 0.00 0.00 61.98 60.59 3e1b s VAL 69 Cb 0.04 -1.70 -0.04 0.00 0.00 0.00 0.00 36.38 34.68 3e1b s VAL 69 CO -0.04 -0.41 0.59 -0.89 0.00 0.00 0.00 175.10 174.35 3e1b s THR 70 N 1.51 5.11 0.24 3.92 2.01 -1.26 -2.79 115.64 124.38 3e1b s THR 70 Ca 0.03 1.19 -0.03 0.00 0.31 0.00 0.00 61.69 63.19 3e1b s THR 70 Cb -0.18 -3.93 -0.05 0.00 0.01 0.00 0.00 72.50 68.36 3e1b s THR 70 CO -0.14 0.27 0.47 -0.54 -0.69 0.00 0.00 174.62 173.99 3e1b s LYS 71 N 0.86 3.58 0.91 4.92 1.02 -0.62 -5.02 119.74 125.39 3e1b s LYS 71 Ca 0.31 -0.15 -0.10 0.00 0.02 0.00 0.00 55.97 56.05 3e1b s LYS 71 Cb -0.16 -2.74 0.14 0.00 -0.52 0.00 0.00 37.83 34.55 3e1b s LYS 71 CO 0.14 0.31 1.14 0.95 -0.92 0.00 0.00 175.35 176.97 3e1b s THR 72 N -1.96 2.15 0.48 2.17 -4.23 -1.26 -4.26 115.64 108.73 3e1b s THR 72 Ca 0.41 0.05 -0.22 0.00 -1.18 0.00 0.00 61.69 60.75 3e1b s THR 72 Cb -0.11 -2.11 -0.09 0.00 1.34 0.00 0.00 72.50 71.53 3e1b s THR 72 CO 0.29 -0.07 0.94 -2.65 -0.54 0.00 0.00 174.62 172.59 3e1b n PRO 73 N -4.20 1.14 -1.72 3.99 -0.02 -1.26 -4.45 135.00 128.47 3e1b n PRO 73 Ca 0.11 0.42 -0.42 0.00 -2.02 0.00 0.00 63.50 61.59 3e1b n PRO 73 Cb 0.52 -2.03 -0.02 0.00 -0.02 0.00 0.00 33.50 31.95 3e1b n PRO 73 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 3e1b n PRO 74 N -0.15 2.64 -0.32 0.52 -0.02 -1.26 -4.84 135.00 131.56 3e1b n PRO 74 Ca 0.11 0.94 0.18 0.00 -2.02 0.00 0.00 63.50 62.71 3e1b n PRO 74 Cb 0.42 -2.74 0.36 0.00 -0.02 0.00 0.00 33.50 31.52 3e1b n PRO 74 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3e1b h ALA 75 N 5.58 1.48 -0.37 3.55 0.00 -1.99 -1.70 119.26 125.80 3e1b h ALA 75 Ca -0.45 0.26 -0.12 0.00 0.00 0.00 0.00 54.91 54.60 3e1b h ALA 75 Cb 1.22 0.38 -0.01 0.00 0.00 0.00 0.00 17.79 19.38 3e1b h ALA 75 CO 0.86 -0.60 -0.24 0.00 0.00 0.00 0.00 179.25 179.27 3e1b h ALA 76 N 1.89 0.87 -0.12 0.00 0.00 -1.97 -0.46 119.26 119.46 3e1b h ALA 76 Ca 0.64 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 3e1b h ALA 76 Cb 1.41 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 3e1b h ALA 76 CO -0.75 0.63 0.05 -0.39 0.00 0.00 0.00 179.25 178.80 3e1b h VAL 77 N 0.65 1.14 -0.86 0.00 -1.51 -1.72 -2.96 116.25 110.99 3e1b h VAL 77 Ca 0.09 -0.42 -0.03 0.00 -1.23 0.00 0.00 66.70 65.11 3e1b h VAL 77 Cb 0.76 1.19 -0.04 0.00 -2.13 0.00 0.00 31.29 31.07 3e1b h VAL 77 CO 0.06 0.13 0.43 -0.07 -1.23 0.00 0.00 177.57 176.89 3e1b h LEU 78 N 0.05 1.11 0.00 4.19 3.38 -1.15 0.71 115.31 123.59 3e1b h LEU 78 Ca 0.04 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.89 3e1b h LEU 78 Cb 0.15 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.62 3e1b h LEU 78 CO -0.00 0.92 0.00 0.18 0.09 0.00 0.00 178.44 179.62 3e1b n LEU 79 N -4.31 0.00 -0.22 1.67 4.77 -0.20 -2.16 117.00 116.56 3e1b n LEU 79 Ca 0.09 0.73 0.11 0.00 -0.03 0.00 0.00 56.01 56.90 3e1b n LEU 79 Cb 0.13 -0.23 0.40 0.00 -2.33 0.00 0.00 43.42 41.38 3e1b n LEU 79 CO 0.39 -0.23 1.22 0.07 -1.33 0.00 0.00 177.39 177.51 3e1b h LYS 80 N 0.00 0.64 -0.00 3.23 2.10 -1.49 -1.36 116.57 119.69 3e1b h LYS 80 Ca 0.00 -0.04 0.01 0.00 -2.00 0.00 0.00 60.65 58.62 3e1b h LYS 80 Cb 0.00 -0.14 -0.03 0.00 -0.90 0.00 0.00 32.23 31.16 3e1b h LYS 80 CO 0.00 0.42 -0.28 -0.22 -2.00 0.00 0.00 179.45 177.37 3e1b h LYS 81 N 0.66 -0.34 0.00 0.07 3.64 -0.90 -0.27 116.57 119.43 3e1b h LYS 81 Ca 0.38 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.79 3e1b h LYS 81 Cb 0.58 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.48 3e1b h LYS 81 CO -0.15 -0.23 0.00 0.00 -2.27 0.00 0.00 179.45 176.80 3e1b h ALA 82 N -0.93 1.00 0.00 5.00 0.00 -0.99 0.23 119.26 123.57 3e1b h ALA 82 Ca 0.01 0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.77 3e1b h ALA 82 Cb 0.38 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 3e1b h ALA 82 CO -0.19 0.00 -0.71 0.00 0.00 0.00 0.00 179.25 178.36 3e1b h ALA 83 N 2.02 0.76 0.00 0.00 0.00 -0.61 -3.48 119.26 117.95 3e1b h ALA 83 Ca 0.00 -0.64 0.00 0.00 0.00 0.00 0.00 54.91 54.27 3e1b h ALA 83 Cb 0.20 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3e1b h ALA 83 CO 0.00 0.88 0.00 0.41 0.00 0.00 0.00 179.25 180.54 3e1b n GLY 84 N 0.66 1.20 3.40 0.00 0.00 0.82 -4.84 105.19 106.43 3e1b n GLY 84 Ca -0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 3e1b n GLY 84 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3e1b s ILE 85 N -2.00 2.27 -0.16 -0.61 -4.36 -0.24 -5.00 121.20 111.09 3e1b s ILE 85 Ca 0.00 -1.89 -0.13 0.00 -0.26 0.00 0.00 60.65 58.37 3e1b s ILE 85 Cb 0.00 -2.04 -0.05 0.00 1.25 0.00 0.00 42.46 41.62 3e1b s ILE 85 CO 0.00 -0.03 -0.21 1.17 0.24 0.00 0.00 174.94 176.11 3e1b n LYS 86 N 0.58 0.49 -3.37 0.37 4.81 -1.26 -3.56 118.16 116.22 3e1b n LYS 86 Ca -0.15 0.42 -0.22 0.00 -0.87 0.00 0.00 58.31 57.49 3e1b n LYS 86 Cb 0.55 -1.61 -0.00 0.00 0.02 0.00 0.00 35.03 33.98 3e1b n LYS 86 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 3e1b s SER 87 N -5.92 6.08 0.38 3.14 0.15 -1.26 -5.00 113.70 111.27 3e1b s SER 87 Ca -0.21 0.20 0.08 0.00 0.70 0.00 0.00 55.95 56.72 3e1b s SER 87 Cb 0.03 -1.67 -0.04 0.00 -1.71 0.00 0.00 66.02 62.64 3e1b s SER 87 CO 0.32 -0.42 0.25 -0.83 1.20 0.00 0.00 173.24 173.76 3e1b s GLY 88 N -4.11 2.07 0.53 9.45 0.00 -1.26 -5.06 107.32 108.94 3e1b s GLY 88 Ca 0.43 -1.89 0.35 0.00 0.00 0.00 0.00 44.72 43.61 3e1b s GLY 88 CO 0.34 -1.75 1.82 1.48 0.00 0.00 0.00 173.10 174.99 3e1b h SER 89 N 1.31 0.03 0.00 1.64 4.64 -1.83 -3.46 113.55 115.87 3e1b h SER 89 Ca -0.43 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.90 3e1b h SER 89 Cb 1.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 3e1b h SER 89 CO 0.62 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 177.20 3e1b n GLY 90 N -1.74 1.23 2.59 -0.77 0.00 -1.26 -4.66 105.19 100.57 3e1b n GLY 90 Ca 0.24 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.14 3e1b n GLY 90 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3e1b n LYS 91 N -2.00 0.73 -0.66 1.61 2.85 -1.26 -5.13 118.16 114.30 3e1b n LYS 91 Ca 0.00 -2.18 -0.22 0.00 -1.05 0.00 0.00 58.31 54.86 3e1b n LYS 91 Cb 0.00 -1.41 -0.01 0.00 -0.65 0.00 0.00 35.03 32.97 3e1b n LYS 91 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 177.40 175.05 3e1b n PRO 92 N 1.69 0.00 0.00 -1.58 -0.02 -1.26 -2.32 135.00 131.50 3e1b n PRO 92 Ca 0.13 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.61 3e1b n PRO 92 Cb 0.60 -0.49 0.00 0.00 -0.02 0.00 0.00 33.50 33.59 3e1b n PRO 92 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 3e1b n ASN 93 N 1.06 0.00 -0.45 2.55 5.15 0.31 -4.60 115.26 119.27 3e1b n ASN 93 Ca 0.07 0.00 0.13 0.00 -0.60 0.00 0.00 54.58 54.18 3e1b n ASN 93 Cb 0.16 -0.10 0.34 0.00 -0.53 0.00 0.00 39.78 39.64 3e1b n ASN 93 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 3e1b n LYS 94 N -0.21 1.35 -3.68 1.20 5.02 -1.04 -4.67 118.16 116.13 3e1b n LYS 94 Ca 0.00 -0.90 -0.30 0.00 -2.02 0.00 0.00 58.31 55.09 3e1b n LYS 94 Cb 0.00 -1.48 -0.14 0.00 -0.02 0.00 0.00 35.03 33.39 3e1b n LYS 94 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3e1b s ASP 95 N -2.27 3.71 -1.14 4.39 -1.08 -0.98 -5.05 116.67 114.25 3e1b s ASP 95 Ca 0.28 -2.12 -0.12 0.00 -0.52 0.00 0.00 52.55 50.07 3e1b s ASP 95 Cb 0.20 -0.86 -0.07 0.00 -1.46 0.00 0.00 42.92 40.73 3e1b s ASP 95 CO 0.44 -0.34 2.29 0.29 0.52 0.00 0.00 175.17 178.37 3e1b n LYS 96 N 4.19 2.45 -0.34 4.34 5.02 -1.26 -4.68 118.16 127.89 3e1b n LYS 96 Ca 0.04 -1.90 0.32 0.00 -2.02 0.00 0.00 58.31 54.75 3e1b n LYS 96 Cb 0.38 -2.77 0.57 0.00 -0.02 0.00 0.00 35.03 33.19 3e1b n LYS 96 CO 0.00 0.00 0.00 1.55 -0.52 0.00 0.00 177.40 178.43 3e1b n VAL 97 N 4.61 -0.34 -3.19 -0.18 3.14 -1.02 -4.83 118.33 116.51 3e1b n VAL 97 Ca 0.55 1.82 -0.02 0.00 -2.96 0.00 0.00 64.34 63.73 3e1b n VAL 97 Cb 0.26 -2.96 0.01 0.00 -1.06 0.00 0.00 33.84 30.08 3e1b n VAL 97 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3e1b n GLY 98 N -1.31 1.77 3.29 7.55 0.00 -1.22 -5.07 105.19 110.19 3e1b n GLY 98 Ca 0.36 -1.07 -0.17 0.00 0.00 0.00 0.00 46.02 45.13 3e1b n GLY 98 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3e1b s LYS 99 N -2.02 1.17 0.09 1.61 -2.85 -1.26 -2.04 119.74 114.43 3e1b s LYS 99 Ca 0.04 -1.44 0.02 0.00 -1.00 0.00 0.00 55.97 53.59 3e1b s LYS 99 Cb -0.01 -0.93 -0.04 0.00 -2.06 0.00 0.00 37.83 34.79 3e1b s LYS 99 CO 0.03 0.16 -0.08 -1.50 0.10 0.00 0.00 175.35 174.06 3e1b s ILE 100 N -2.78 0.73 0.23 3.79 2.07 0.02 -4.58 121.20 120.67 3e1b s ILE 100 Ca 0.17 -1.68 0.06 0.00 -1.41 0.00 0.00 60.65 57.78 3e1b s ILE 100 Cb -0.01 -1.38 -0.03 0.00 0.13 0.00 0.00 42.46 41.17 3e1b s ILE 100 CO 0.04 -0.69 0.26 -0.94 -1.91 0.00 0.00 174.94 171.71 3e1b s SER 101 N -2.58 5.92 0.40 4.50 1.04 -1.26 -1.21 113.70 120.51 3e1b s SER 101 Ca 0.06 -0.07 0.09 0.00 0.48 0.00 0.00 55.95 56.50 3e1b s SER 101 Cb -0.00 -1.64 0.84 0.00 0.10 0.00 0.00 66.02 65.32 3e1b s SER 101 CO -0.02 -0.03 1.99 -0.09 0.98 0.00 0.00 173.24 176.07 3e1b h ARG 102 N 1.53 0.37 -0.26 4.02 1.12 -1.22 -0.18 114.38 119.76 3e1b h ARG 102 Ca -0.50 -0.05 0.00 0.00 -1.11 0.00 0.00 59.98 58.32 3e1b h ARG 102 Cb 1.23 -0.07 -0.01 0.00 -0.01 0.00 0.00 29.97 31.10 3e1b h ARG 102 CO 0.62 0.35 0.17 0.00 -3.11 0.00 0.00 179.97 178.00 3e1b h ALA 103 N 1.70 0.34 -0.36 2.80 0.00 -1.95 -0.50 119.26 121.29 3e1b h ALA 103 Ca 0.09 -0.03 0.06 0.00 0.00 0.00 0.00 54.91 55.03 3e1b h ALA 103 Cb 0.15 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 17.78 3e1b h ALA 103 CO -0.00 -0.17 -0.01 1.96 0.00 0.00 0.00 179.25 181.02 3e1b h GLN 104 N 0.34 0.09 -0.82 0.00 4.20 -1.63 -1.93 115.11 115.36 3e1b h GLN 104 Ca 0.10 -0.01 0.06 0.00 0.06 0.00 0.00 58.65 58.86 3e1b h GLN 104 Cb -0.01 -0.02 -0.06 0.00 0.30 0.00 0.00 27.48 27.69 3e1b h GLN 104 CO -0.02 0.06 0.50 -0.07 -0.67 0.00 0.00 178.83 178.63 3e1b h LEU 105 N 0.09 0.77 -0.03 1.46 3.38 -0.60 0.09 115.31 120.48 3e1b h LEU 105 Ca 0.17 0.02 -0.26 0.00 0.09 0.00 0.00 57.88 57.91 3e1b h LEU 105 Cb 0.24 -0.14 0.01 0.00 0.09 0.00 0.00 40.66 40.86 3e1b h LEU 105 CO -0.30 0.49 -1.10 -0.61 0.09 0.00 0.00 178.44 177.02 3e1b h GLN 106 N 0.90 0.41 -0.38 1.13 4.15 -0.96 -0.90 115.11 119.46 3e1b h GLN 106 Ca 0.36 -0.53 0.07 0.00 0.77 0.00 0.00 58.65 59.32 3e1b h GLN 106 Cb 0.19 0.17 -0.06 0.00 0.21 0.00 0.00 27.48 27.99 3e1b h GLN 106 CO -0.18 1.19 0.03 1.49 -1.93 0.00 0.00 178.83 179.44 3e1b h GLU 107 N 0.19 0.14 -0.31 1.69 4.81 -1.32 -2.56 114.58 117.22 3e1b h GLU 107 Ca -0.12 -0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.15 3e1b h GLU 107 Cb 1.77 -0.03 -0.04 0.00 0.63 0.00 0.00 28.75 31.07 3e1b h GLU 107 CO 0.19 0.09 0.04 0.82 -0.73 0.00 0.00 179.01 179.43 3e1b h ILE 108 N 0.14 0.83 -0.26 2.32 2.04 -0.83 -2.20 117.51 119.55 3e1b h ILE 108 Ca 0.19 -0.05 0.08 0.00 1.00 0.00 0.00 64.86 66.07 3e1b h ILE 108 Cb 0.25 0.67 -0.01 0.00 -0.74 0.00 0.00 36.82 36.99 3e1b h ILE 108 CO -0.28 0.03 0.19 0.00 0.00 0.00 0.00 178.15 178.08 3e1b h ALA 109 N 1.24 2.24 0.00 1.87 0.00 -1.08 0.13 119.26 123.66 3e1b h ALA 109 Ca 0.14 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 3e1b h ALA 109 Cb 0.17 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 3e1b h ALA 109 CO -0.21 -0.32 -0.06 1.96 0.00 0.00 0.00 179.25 180.62 3e1b h GLN 110 N 0.00 0.00 0.10 0.00 4.20 -0.98 -2.51 115.11 115.92 3e1b h GLN 110 Ca 0.12 0.00 -0.26 0.00 0.06 0.00 0.00 58.65 58.58 3e1b h GLN 110 Cb 0.50 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.27 3e1b h GLN 110 CO -0.00 0.06 -1.32 1.15 -0.67 0.00 0.00 178.83 178.04 3e1b h THR 111 N 0.00 1.06 -0.48 -0.54 2.02 -0.77 -3.33 112.91 110.86 3e1b h THR 111 Ca -0.00 -2.38 -0.01 0.00 0.77 0.00 0.00 66.41 64.79 3e1b h THR 111 Cb 0.90 2.70 -0.02 0.00 -1.74 0.00 0.00 68.15 69.99 3e1b h THR 111 CO 0.01 0.66 0.25 0.50 0.37 0.00 0.00 175.52 177.32 3e1b h LYS 112 N -0.40 0.66 0.00 6.66 1.63 -0.95 -3.47 116.57 120.70 3e1b h LYS 112 Ca -0.29 -0.07 0.00 0.00 -0.85 0.00 0.00 60.65 59.44 3e1b h LYS 112 Cb 1.68 -0.14 0.00 0.00 -0.60 0.00 0.00 32.23 33.17 3e1b h LYS 112 CO 0.03 0.50 0.00 0.00 -3.45 0.00 0.00 179.45 176.53 3e1b n ALA 113 N -2.46 0.00 0.37 5.00 0.00 -0.94 -3.63 120.51 118.85 3e1b n ALA 113 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 3e1b n ALA 113 Cb 0.10 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.58 3e1b n ALA 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3e1b n ALA 114 N 4.86 1.69 -0.16 0.00 0.00 -1.26 -1.84 120.51 123.80 3e1b n ALA 114 Ca 0.00 -0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.49 3e1b n ALA 114 Cb 0.00 -1.01 0.36 0.00 0.00 0.00 0.00 19.45 18.79 3e1b n ALA 114 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 3e1b h ASP 115 N 0.00 0.65 -2.25 0.00 3.58 -1.98 -3.38 116.42 113.05 3e1b h ASP 115 Ca 0.00 -0.00 -0.60 0.00 0.42 0.00 0.00 57.03 56.85 3e1b h ASP 115 Cb 0.00 -0.14 -0.42 0.00 1.72 0.00 0.00 39.33 40.49 3e1b h ASP 115 CO 0.00 0.43 -0.64 0.23 -2.88 0.00 0.00 179.24 176.38 3e1b n MET 116 N -4.47 2.28 -1.29 0.28 2.81 -0.77 -5.05 117.12 110.91 3e1b n MET 116 Ca 0.10 -4.50 -0.37 0.00 -1.81 0.00 0.00 57.70 51.11 3e1b n MET 116 Cb 0.20 -2.15 -0.02 0.00 -0.71 0.00 0.00 33.22 30.53 3e1b n MET 116 CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89 3e1b n THR 117 N 1.01 3.12 -1.16 2.03 -1.04 -1.26 -4.89 114.28 112.09 3e1b n THR 117 Ca 0.28 -2.27 -0.29 0.00 -2.04 0.00 0.00 64.05 59.74 3e1b n THR 117 Cb 0.42 -2.45 0.18 0.00 -1.82 0.00 0.00 70.33 66.66 3e1b n THR 117 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 3e1b s GLY 118 N 3.36 1.56 0.16 3.41 0.00 -1.26 -4.99 107.32 109.56 3e1b s GLY 118 Ca 0.54 -0.42 -0.14 0.00 0.00 0.00 0.00 44.72 44.69 3e1b s GLY 118 CO -0.03 0.21 1.77 0.00 0.00 0.00 0.00 173.10 175.06 3e1b h ALA 119 N -1.97 0.65 -2.71 3.20 0.00 -1.95 -3.46 119.26 113.02 3e1b h ALA 119 Ca -0.55 -0.09 -0.27 0.00 0.00 0.00 0.00 54.91 54.01 3e1b h ALA 119 Cb 1.33 -0.20 -0.13 0.00 0.00 0.00 0.00 17.79 18.79 3e1b h ALA 119 CO 0.57 0.16 -0.50 0.16 0.00 0.00 0.00 179.25 179.64 3e1b s ASP 120 N -5.80 0.48 0.23 0.00 1.47 -1.26 -5.06 116.67 106.74 3e1b s ASP 120 Ca -0.13 -1.42 -0.07 0.00 1.18 0.00 0.00 52.55 52.12 3e1b s ASP 120 Cb 0.12 0.46 0.31 0.00 -0.34 0.00 0.00 42.92 43.47 3e1b s ASP 120 CO 0.75 -0.95 1.82 -0.29 0.68 0.00 0.00 175.17 177.19 3e1b h ILE 121 N 2.44 0.98 0.00 2.11 -0.00 -2.00 -1.44 117.51 119.60 3e1b h ILE 121 Ca -0.32 -0.28 0.00 0.00 -0.00 0.00 0.00 64.86 64.26 3e1b h ILE 121 Cb 1.25 0.09 0.00 0.00 -0.00 0.00 0.00 36.82 38.16 3e1b h ILE 121 CO 0.47 0.15 -0.05 -0.62 -0.00 0.00 0.00 178.15 178.09 3e1b n GLU 122 N -4.72 0.07 -0.05 2.19 1.02 -1.26 -1.52 120.64 116.38 3e1b n GLU 122 Ca 0.11 0.06 -0.00 0.00 -0.02 0.00 0.00 57.16 57.31 3e1b n GLU 122 Cb 0.20 -1.58 -0.00 0.00 -0.02 0.00 0.00 31.44 30.04 3e1b n GLU 122 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3e1b h ALA 123 N 2.87 0.00 -0.79 0.62 0.00 -1.84 -3.40 119.26 116.71 3e1b h ALA 123 Ca 0.00 -0.00 0.18 0.00 0.00 0.00 0.00 54.91 55.09 3e1b h ALA 123 Cb 0.57 0.00 -0.14 0.00 0.00 0.00 0.00 17.79 18.22 3e1b h ALA 123 CO 0.00 0.00 -0.05 1.98 0.00 0.00 0.00 179.25 181.18 3e1b h MET 124 N -0.93 0.06 0.00 0.00 1.85 -1.24 -2.36 114.93 112.31 3e1b h MET 124 Ca 0.00 -0.00 0.00 0.00 -0.61 0.00 0.00 59.70 59.09 3e1b h MET 124 Cb 0.00 -0.01 0.00 0.00 0.43 0.00 0.00 31.60 32.02 3e1b h MET 124 CO 0.00 0.04 0.28 0.00 -0.40 0.00 0.00 176.91 176.83 3e1b h THR 125 N 0.06 0.00 0.00 -0.77 1.03 -1.49 -2.74 112.91 109.00 3e1b h THR 125 Ca 0.42 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.82 3e1b h THR 125 Cb 0.74 0.68 0.00 0.00 -1.07 0.00 0.00 68.15 68.50 3e1b h THR 125 CO -0.74 0.00 0.00 0.54 -0.01 0.00 0.00 175.52 175.31 3e1b n ARG 126 N -2.85 0.16 -0.26 0.00 5.12 -0.89 -1.95 116.66 115.99 3e1b n ARG 126 Ca -0.02 0.33 -0.07 0.00 -1.93 0.00 0.00 57.85 56.16 3e1b n ARG 126 Cb 0.33 -1.78 0.05 0.00 -1.16 0.00 0.00 32.46 29.91 3e1b n ARG 126 CO 0.00 0.00 0.00 0.66 -1.93 0.00 0.00 177.63 176.36 3e1b h SER 127 N 0.00 1.04 0.73 0.55 4.64 -1.72 0.40 113.55 119.20 3e1b h SER 127 Ca 0.00 -0.20 -0.04 0.00 -0.47 0.00 0.00 61.79 61.09 3e1b h SER 127 Cb 0.42 -0.27 0.01 0.00 -0.31 0.00 0.00 62.40 62.25 3e1b h SER 127 CO 0.00 0.96 -0.35 0.40 -0.87 0.00 0.00 176.83 176.97 3e1b h ILE 128 N 1.07 0.00 -1.07 0.95 1.08 -1.62 -2.49 117.51 115.43 3e1b h ILE 128 Ca 0.24 -0.21 0.31 0.00 -0.39 0.00 0.00 64.86 64.80 3e1b h ILE 128 Cb 0.28 0.00 -0.12 0.00 -3.07 0.00 0.00 36.82 33.91 3e1b h ILE 128 CO -0.01 0.00 0.66 -0.08 -0.69 0.00 0.00 178.15 178.03 3e1b h GLU 129 N -1.20 0.35 0.38 2.37 4.81 -1.36 -2.13 114.58 117.81 3e1b h GLU 129 Ca -0.10 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.09 3e1b h GLU 129 Cb 0.75 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.06 3e1b h GLU 129 CO 0.17 0.23 -0.18 0.78 -0.73 0.00 0.00 179.01 179.28 3e1b h GLY 130 N 0.36 -0.53 2.00 1.92 0.00 -0.06 -2.99 103.07 103.77 3e1b h GLY 130 Ca 0.68 0.20 -0.03 0.00 0.00 0.00 0.00 47.33 48.18 3e1b h GLY 130 CO -0.44 -0.19 -0.15 0.00 0.00 0.00 0.00 176.54 175.76 3e1b h THR 131 N -0.73 0.44 -0.40 4.70 1.03 -1.44 -2.99 112.91 113.51 3e1b h THR 131 Ca -0.05 -0.83 0.08 0.00 -0.01 0.00 0.00 66.41 65.60 3e1b h THR 131 Cb 0.39 1.59 -0.09 0.00 -1.07 0.00 0.00 68.15 68.97 3e1b h THR 131 CO 0.09 0.15 -0.27 0.00 -0.01 0.00 0.00 175.52 175.48 3e1b h ALA 132 N 1.85 -0.05 -0.43 0.00 0.00 -1.42 0.90 119.26 120.12 3e1b h ALA 132 Ca -0.00 0.12 -0.12 0.00 0.00 0.00 0.00 54.91 54.92 3e1b h ALA 132 Cb 0.57 0.60 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 3e1b h ALA 132 CO 0.02 -0.65 -0.20 0.00 0.00 0.00 0.00 179.25 178.42 3e1b h ARG 133 N -0.20 0.85 0.60 0.00 3.08 -1.39 0.76 114.38 118.08 3e1b h ARG 133 Ca 0.19 -0.34 -0.02 0.00 0.07 0.00 0.00 59.98 59.88 3e1b h ARG 133 Cb 0.50 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.49 3e1b h ARG 133 CO -0.52 0.97 -0.51 0.77 -1.07 0.00 0.00 179.97 179.61 3e1b h SER 134 N 0.74 -1.36 0.60 7.04 0.02 -1.19 -3.32 113.55 116.07 3e1b h SER 134 Ca 0.10 0.10 0.00 0.00 -0.84 0.00 0.00 61.79 61.15 3e1b h SER 134 Cb 0.73 0.44 0.00 0.00 0.14 0.00 0.00 62.40 63.70 3e1b h SER 134 CO 0.06 -0.70 0.00 1.15 -1.14 0.00 0.00 176.83 176.19 3e1b n MET 135 N -5.59 0.15 0.00 3.45 0.00 0.22 -0.53 117.12 114.82 3e1b n MET 135 Ca -0.13 0.42 0.00 0.00 0.00 0.00 0.00 57.70 57.99 3e1b n MET 135 Cb 0.48 -1.81 0.00 0.00 0.00 0.00 0.00 33.22 31.89 3e1b n MET 135 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3e1b n GLY 136 N -0.18 1.60 3.68 3.17 0.00 -0.89 -3.68 105.19 108.89 3e1b n GLY 136 Ca 0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.65 3e1b n GLY 136 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3e1b s LEU 137 N 0.00 4.20 -0.13 0.99 1.43 0.21 -2.44 118.68 122.94 3e1b s LEU 137 Ca 0.00 0.86 -0.29 0.00 -1.03 0.00 0.00 54.13 53.67 3e1b s LEU 137 Cb 0.00 -2.85 -0.04 0.00 0.03 0.00 0.00 46.19 43.33 3e1b s LEU 137 CO 0.00 -0.17 1.55 -0.69 0.23 0.00 0.00 176.35 177.28 3e1b s VAL 138 N 1.37 3.78 -0.50 -1.59 1.01 -0.86 -3.67 120.40 119.94 3e1b s VAL 138 Ca 0.29 0.92 -0.17 0.00 0.00 0.00 0.00 61.98 63.02 3e1b s VAL 138 Cb -0.16 -3.66 0.08 0.00 0.00 0.00 0.00 36.38 32.64 3e1b s VAL 138 CO 0.12 -0.15 0.48 0.68 0.00 0.00 0.00 175.10 176.22 3e1b s VAL 139 N 4.29 5.13 -0.12 2.92 -7.23 -1.25 -0.80 120.40 123.32 3e1b s VAL 139 Ca 0.68 -0.99 -0.03 0.00 -1.81 0.00 0.00 61.98 59.84 3e1b s VAL 139 Cb -0.28 -4.21 -0.03 0.00 0.56 0.00 0.00 36.38 32.42 3e1b s VAL 139 CO 0.26 -0.70 -0.02 -0.70 -0.31 0.00 0.00 175.10 173.63 3e1b s GLU 140 N 1.92 3.36 0.00 4.82 2.12 -0.35 -4.87 118.70 125.70 3e1b s GLU 140 Ca 0.07 -0.47 0.00 0.00 0.36 0.00 0.00 54.97 54.92 3e1b s GLU 140 Cb -0.24 -2.86 0.00 0.00 0.26 0.00 0.00 34.13 31.29 3e1b s GLU 140 CO 0.07 0.44 0.43 -3.47 -0.54 0.00 0.00 175.26 172.20