#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i8i n VAL 4 N 0.00 0.00 0.00 -0.18 0.31 -1.26 -4.95 118.33 112.25 3i8i n VAL 4 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3i8i n VAL 4 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 3i8i n VAL 4 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 3i8i n VAL 5 N 0.00 0.00 -1.59 2.52 0.31 -1.26 -5.08 118.33 113.23 3i8i n VAL 5 Ca 0.00 -0.11 0.00 0.00 -0.01 0.00 0.00 64.34 64.22 3i8i n VAL 5 Cb 0.00 0.99 0.00 0.00 -0.91 0.00 0.00 33.84 33.92 3i8i n VAL 5 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3i8i n ALA 6 N -0.23 0.00 -0.78 3.52 0.00 -1.26 -5.03 120.51 116.74 3i8i n ALA 6 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.53 3i8i n ALA 6 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 3i8i n ALA 6 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3i8i n VAL 7 N 0.00 0.00 -4.41 0.00 0.31 -1.26 -4.95 118.33 108.02 3i8i n VAL 7 Ca 0.00 0.00 -0.21 0.00 -0.01 0.00 0.00 64.34 64.12 3i8i n VAL 7 Cb 0.00 -0.23 -0.10 0.00 -0.91 0.00 0.00 33.84 32.60 3i8i n VAL 7 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 3i8i s VAL 8 N -1.38 0.75 0.72 2.52 -7.23 -1.26 -4.97 120.40 109.54 3i8i s VAL 8 Ca 0.00 -2.00 -0.09 0.00 -1.81 0.00 0.00 61.98 58.08 3i8i s VAL 8 Cb 0.00 -2.61 0.05 0.00 0.56 0.00 0.00 36.38 34.38 3i8i s VAL 8 CO 0.00 0.00 1.07 -1.59 -0.31 0.00 0.00 175.10 174.27 3i8i s LYS 9 N -3.88 2.38 0.00 4.82 0.00 -1.26 -4.25 119.74 117.54 3i8i s LYS 9 Ca 0.34 0.05 0.00 0.00 0.00 0.00 0.00 55.97 56.36 3i8i s LYS 9 Cb 0.07 -2.09 0.00 0.00 0.00 0.00 0.00 37.83 35.81 3i8i s LYS 9 CO 0.15 -1.22 0.00 1.47 0.00 0.00 0.00 175.35 175.75 3i8i n LEU 10 N -3.01 0.00 -4.97 2.77 -0.00 -1.26 -5.06 117.00 105.47 3i8i n LEU 10 Ca 0.07 0.00 -0.21 0.00 -0.00 0.00 0.00 56.01 55.87 3i8i n LEU 10 Cb 0.59 0.00 0.02 0.00 -0.00 0.00 0.00 43.42 44.04 3i8i n LEU 10 CO 0.55 0.00 0.28 -1.58 -0.00 0.00 0.00 177.39 176.64 3i8i s GLN 11 N 4.91 2.78 0.00 1.47 2.00 -1.26 -4.84 119.66 124.73 3i8i s GLN 11 Ca 0.00 -0.79 0.00 0.00 -2.00 0.00 0.00 55.36 52.57 3i8i s GLN 11 Cb 0.00 -2.58 0.00 0.00 0.80 0.00 0.00 33.01 31.23 3i8i s GLN 11 CO 0.00 -0.45 0.00 1.28 -0.50 0.00 0.00 175.29 175.62 3i8i n LEU 12 N -2.13 0.00 -0.06 3.68 7.99 -1.26 -4.98 117.00 120.23 3i8i n LEU 12 Ca 0.05 0.00 -0.07 0.00 -0.01 0.00 0.00 56.01 55.98 3i8i n LEU 12 Cb 0.59 0.00 -0.08 0.00 -0.11 0.00 0.00 43.42 43.82 3i8i n LEU 12 CO 0.45 0.00 -0.92 -0.81 -1.51 0.00 0.00 177.39 174.60 3i8i n PRO 13 N 0.00 1.45 0.00 3.23 -0.04 -1.26 -4.40 135.00 133.98 3i8i n PRO 13 Ca 0.00 0.03 0.00 0.00 -0.04 0.00 0.00 63.50 63.49 3i8i n PRO 13 Cb 0.00 -1.30 0.00 0.00 -0.04 0.00 0.00 33.50 32.16 3i8i n PRO 13 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3i8i n ALA 14 N -2.62 0.00 0.00 0.55 0.00 -1.26 -4.03 120.51 113.14 3i8i n ALA 14 Ca -0.22 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.22 3i8i n ALA 14 Cb 0.84 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.29 3i8i n ALA 14 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i8i n GLY 15 N 0.00 0.00 0.00 0.00 0.00 -1.26 -3.34 105.19 100.59 3i8i n GLY 15 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3i8i n GLY 15 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3i8i n LYS 16 N -2.56 0.00 0.00 1.61 4.81 -1.26 -4.88 118.16 115.88 3i8i n LYS 16 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 3i8i n LYS 16 Cb 0.23 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.28 3i8i n LYS 16 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3i8i n ALA 17 N -0.34 0.00 -2.90 3.14 0.00 -1.26 -4.70 120.51 114.44 3i8i n ALA 17 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3i8i n ALA 17 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3i8i n ALA 17 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3i8i n THR 18 N -0.99 0.00 -1.53 0.00 -2.24 -1.26 -4.79 114.28 103.48 3i8i n THR 18 Ca 0.00 0.00 -0.38 0.00 -2.27 0.00 0.00 64.05 61.40 3i8i n THR 18 Cb 0.00 0.00 0.04 0.00 -2.10 0.00 0.00 70.33 68.27 3i8i n THR 18 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 3i8i n PRO 19 N 0.00 0.68 0.00 -0.78 -0.02 -1.26 -4.02 135.00 129.59 3i8i n PRO 19 Ca 0.00 0.26 0.00 0.00 -2.02 0.00 0.00 63.50 61.74 3i8i n PRO 19 Cb 0.00 -1.88 0.00 0.00 -0.02 0.00 0.00 33.50 31.60 3i8i n PRO 19 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3i8i n ALA 20 N -1.65 0.00 -1.00 3.55 0.00 -1.26 -4.47 120.51 115.68 3i8i n ALA 20 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.56 3i8i n ALA 20 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.92 3i8i n ALA 20 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3i8i n PRO 21 N 0.00 2.73 0.04 0.00 -0.04 -1.24 -2.60 135.00 133.89 3i8i n PRO 21 Ca 0.00 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.27 3i8i n PRO 21 Cb 0.00 0.00 -0.13 0.00 -0.04 0.00 0.00 33.50 33.33 3i8i n PRO 21 CO 0.00 0.00 0.00 -1.35 -0.04 0.00 0.00 175.50 174.11 3i8i h PRO 22 N 0.00 0.36 -0.01 0.54 0.11 -1.94 0.53 132.00 131.59 3i8i h PRO 22 Ca 0.00 -0.51 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3i8i h PRO 22 Cb 0.00 0.17 0.00 0.00 0.11 0.00 0.00 31.00 31.28 3i8i h PRO 22 CO 0.00 1.20 -0.51 0.28 -0.21 0.00 0.00 178.00 178.76 3i8i n VAL 23 N -4.14 0.00 -2.32 3.15 0.31 -1.26 -4.54 118.33 109.53 3i8i n VAL 23 Ca -0.13 -0.24 -0.25 0.00 -0.01 0.00 0.00 64.34 63.71 3i8i n VAL 23 Cb 0.78 1.11 0.09 0.00 -0.91 0.00 0.00 33.84 34.91 3i8i n VAL 23 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 3i8i s GLY 24 N -2.17 1.74 -0.64 2.92 0.00 -1.22 -4.19 107.32 103.75 3i8i s GLY 24 Ca 0.10 -1.21 -0.27 0.00 0.00 0.00 0.00 44.72 43.34 3i8i s GLY 24 CO 0.51 -0.73 1.47 -4.14 0.00 0.00 0.00 173.10 170.21 3i8i s PRO 25 N -5.24 3.09 -0.27 2.90 0.02 0.05 -4.06 135.00 131.49 3i8i s PRO 25 Ca 0.63 0.22 0.12 0.00 0.02 0.00 0.00 61.00 61.99 3i8i s PRO 25 Cb -0.08 -4.21 0.77 0.00 0.02 0.00 0.00 34.50 31.00 3i8i s PRO 25 CO 0.45 -2.22 1.76 0.00 -0.33 0.00 0.00 177.00 176.65 3i8i n ALA 26 N 10.29 4.19 -2.51 -1.55 0.00 0.16 -3.66 120.51 127.44 3i8i n ALA 26 Ca 0.11 -2.06 -0.43 0.00 0.00 0.00 0.00 53.44 51.06 3i8i n ALA 26 Cb 0.50 -1.19 -0.08 0.00 0.00 0.00 0.00 19.45 18.68 3i8i n ALA 26 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3i8i s LEU 27 N -2.80 4.63 0.00 0.00 1.43 -1.26 -4.61 118.68 116.07 3i8i s LEU 27 Ca 0.54 -0.42 0.00 0.00 -1.03 0.00 0.00 54.13 53.21 3i8i s LEU 27 Cb 0.42 -2.54 0.00 0.00 0.03 0.00 0.00 46.19 44.10 3i8i s LEU 27 CO 0.15 -0.62 0.00 0.61 0.23 0.00 0.00 176.35 176.71 3i8i n GLY 28 N 5.02 -1.86 0.00 -3.19 0.00 -1.08 -4.61 105.19 99.48 3i8i n GLY 28 Ca -0.05 0.49 0.01 0.00 0.00 0.00 0.00 46.02 46.47 3i8i n GLY 28 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3i8i n GLN 29 N -2.16 0.14 -2.77 1.61 7.27 -1.26 -1.96 117.38 118.25 3i8i n GLN 29 Ca 0.00 0.00 -0.02 0.00 0.07 0.00 0.00 57.00 57.05 3i8i n GLN 29 Cb 0.00 -1.32 0.08 0.00 2.41 0.00 0.00 30.24 31.41 3i8i n GLN 29 CO 0.00 0.00 0.00 0.72 0.07 0.00 0.00 177.06 177.85 3i8i n HIS 30 N -0.82 0.04 0.00 3.69 8.25 -1.26 -5.10 115.22 120.01 3i8i n HIS 30 Ca 0.02 -2.04 0.00 0.00 -0.26 0.00 0.00 57.72 55.44 3i8i n HIS 30 Cb 0.01 0.41 0.00 0.00 1.12 0.00 0.00 29.99 31.53 3i8i n HIS 30 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3i8i n GLY 31 N -0.87 3.79 3.03 -1.41 0.00 -0.83 -4.73 105.19 104.18 3i8i n GLY 31 Ca -0.01 -0.99 -0.03 0.00 0.00 0.00 0.00 46.02 44.99 3i8i n GLY 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i8i s ALA 32 N 0.00 -1.68 0.00 4.61 0.00 -1.26 -2.62 121.76 120.81 3i8i s ALA 32 Ca 0.00 1.38 0.00 0.00 0.00 0.00 0.00 51.96 53.34 3i8i s ALA 32 Cb 0.00 -1.92 0.00 0.00 0.00 0.00 0.00 23.12 21.20 3i8i s ALA 32 CO 0.00 -1.29 0.00 -1.71 0.00 0.00 0.00 175.76 172.76 3i8i n ASN 33 N 5.40 0.00 -3.72 0.00 2.85 -1.26 -4.64 115.26 113.89 3i8i n ASN 33 Ca -0.02 0.00 -0.42 0.00 -0.11 0.00 0.00 54.58 54.03 3i8i n ASN 33 Cb 0.51 0.00 -0.01 0.00 1.24 0.00 0.00 39.78 41.52 3i8i n ASN 33 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3i8i n ILE 34 N 0.00 3.32 0.03 -1.44 0.13 -1.26 -3.01 119.36 117.13 3i8i n ILE 34 Ca 0.00 -2.88 0.00 0.00 -1.10 0.00 0.00 62.75 58.77 3i8i n ILE 34 Cb 0.00 -2.59 0.00 0.00 -0.84 0.00 0.00 39.64 36.21 3i8i n ILE 34 CO 0.00 0.00 0.00 0.80 2.80 0.00 0.00 176.55 180.15 3i8i n MET 35 N 6.14 0.00 -0.00 9.51 1.56 -1.26 -4.79 117.12 128.28 3i8i n MET 35 Ca 0.52 0.00 0.10 0.00 -0.27 0.00 0.00 57.70 58.05 3i8i n MET 35 Cb 0.39 -0.14 -0.13 0.00 2.15 0.00 0.00 33.22 35.49 3i8i n MET 35 CO 0.00 0.00 0.00 -1.91 -0.73 0.00 0.00 175.97 173.33 3i8i n GLU 36 N -2.91 0.45 -2.31 2.12 2.13 -1.26 -4.63 120.64 114.24 3i8i n GLU 36 Ca 0.00 -0.07 -0.41 0.00 0.66 0.00 0.00 57.16 57.34 3i8i n GLU 36 Cb 0.00 -1.47 0.01 0.00 0.27 0.00 0.00 31.44 30.25 3i8i n GLU 36 CO 0.00 0.00 0.00 1.19 -0.41 0.00 0.00 177.13 177.91 3i8i n PHE 37 N -1.75 2.66 0.00 4.31 3.01 -1.17 -1.54 117.46 122.98 3i8i n PHE 37 Ca 0.01 -2.71 0.00 0.00 1.01 0.00 0.00 57.45 55.76 3i8i n PHE 37 Cb 0.40 -1.59 0.00 0.00 -0.01 0.00 0.00 39.48 38.27 3i8i n PHE 37 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 3i8i n VAL 38 N 1.25 0.00 0.00 -4.37 0.31 -1.26 -4.55 118.33 109.71 3i8i n VAL 38 Ca 0.53 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.86 3i8i n VAL 38 Cb 0.27 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.20 3i8i n VAL 38 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 3i8i n LYS 39 N -0.30 0.00 -0.57 5.55 3.00 -0.59 -1.02 118.16 124.24 3i8i n LYS 39 Ca 0.00 0.00 0.43 0.00 -0.00 0.00 0.00 58.31 58.74 3i8i n LYS 39 Cb 0.00 0.00 0.67 0.00 0.00 0.00 0.00 35.03 35.70 3i8i n LYS 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3i8i n ALA 40 N -3.00 1.52 -1.00 3.14 0.00 -1.26 -0.47 120.51 119.44 3i8i n ALA 40 Ca 0.00 0.56 0.00 0.00 0.00 0.00 0.00 53.44 54.00 3i8i n ALA 40 Cb 0.00 -0.93 0.00 0.00 0.00 0.00 0.00 19.45 18.52 3i8i n ALA 40 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3i8i n PHE 41 N -3.65 0.00 -0.37 0.00 -0.00 -1.17 0.24 117.46 112.51 3i8i n PHE 41 Ca 0.36 0.00 0.02 0.00 -0.00 0.00 0.00 57.45 57.83 3i8i n PHE 41 Cb 1.63 0.00 0.08 0.00 -0.00 0.00 0.00 39.48 41.19 3i8i n PHE 41 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.76 176.85 3i8i n ASN 42 N -0.32 -0.53 -0.07 -2.13 4.13 -0.11 0.80 115.26 117.03 3i8i n ASN 42 Ca 0.00 1.70 -0.05 0.00 1.68 0.00 0.00 54.58 57.92 3i8i n ASN 42 Cb 0.00 -0.44 -0.03 0.00 -1.54 0.00 0.00 39.78 37.77 3i8i n ASN 42 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3i8i h ALA 43 N 1.59 -0.41 0.16 5.41 0.00 -0.73 0.71 119.26 126.00 3i8i h ALA 43 Ca 0.39 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.30 3i8i h ALA 43 Cb 0.64 0.91 0.00 0.00 0.00 0.00 0.00 17.79 19.34 3i8i h ALA 43 CO -0.99 -0.51 -0.08 0.00 0.00 0.00 0.00 179.25 177.68 3i8i h ALA 44 N -0.79 -0.21 -0.36 0.00 0.00 0.72 -1.58 119.26 117.03 3i8i h ALA 44 Ca 0.03 -0.21 0.10 0.00 0.00 0.00 0.00 54.91 54.83 3i8i h ALA 44 Cb 0.19 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 3i8i h ALA 44 CO -0.23 -0.39 0.45 1.79 0.00 0.00 0.00 179.25 180.88 3i8i h THR 45 N -0.68 0.30 -1.70 0.00 1.35 0.35 -3.43 112.91 109.09 3i8i h THR 45 Ca -0.02 0.00 -0.48 0.00 -0.55 0.00 0.00 66.41 65.36 3i8i h THR 45 Cb 0.49 0.63 0.07 0.00 -1.73 0.00 0.00 68.15 67.62 3i8i h THR 45 CO 0.04 0.00 0.08 0.00 -0.25 0.00 0.00 175.52 175.38 3i8i s ALA 46 N -4.52 3.94 -1.51 6.62 0.00 0.25 -0.85 121.76 125.69 3i8i s ALA 46 Ca -0.04 -1.93 -0.09 0.00 0.00 0.00 0.00 51.96 49.90 3i8i s ALA 46 Cb 0.14 -1.84 0.07 0.00 0.00 0.00 0.00 23.12 21.49 3i8i s ALA 46 CO 0.50 -1.44 0.71 0.09 0.00 0.00 0.00 175.76 175.62 3i8i n ASN 47 N -2.77 -2.45 0.00 0.00 3.02 -1.25 -4.46 115.26 107.34 3i8i n ASN 47 Ca 0.17 -0.92 0.00 0.00 -0.03 0.00 0.00 54.58 53.80 3i8i n ASN 47 Cb 0.61 -3.34 0.00 0.00 -0.61 0.00 0.00 39.78 36.44 3i8i n ASN 47 CO 0.00 0.00 0.00 0.80 -2.62 0.00 0.00 177.26 175.44 3i8i n MET 48 N -4.46 0.00 0.00 3.52 0.00 -1.26 -5.06 117.12 109.86 3i8i n MET 48 Ca -0.11 0.00 0.00 0.00 -0.00 0.00 0.00 57.70 57.59 3i8i n MET 48 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.81 3i8i n MET 48 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3i8i n GLY 49 N 0.00 -0.00 0.00 -5.12 0.00 -0.03 -4.74 105.19 95.29 3i8i n GLY 49 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3i8i n GLY 49 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3i8i n ASP 50 N 0.00 0.00 -2.25 1.61 3.85 -1.26 -4.78 116.55 113.73 3i8i n ASP 50 Ca 0.00 0.00 -0.02 0.00 -0.71 0.00 0.00 54.79 54.06 3i8i n ASP 50 Cb 0.00 0.00 -0.03 0.00 -1.35 0.00 0.00 41.12 39.74 3i8i n ASP 50 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3i8i n ALA 51 N 0.00 2.25 0.00 2.12 0.00 -1.26 -4.08 120.51 119.54 3i8i n ALA 51 Ca 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.12 3i8i n ALA 51 Cb 0.00 -2.13 0.00 0.00 0.00 0.00 0.00 19.45 17.32 3i8i n ALA 51 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 3i8i n ILE 52 N 2.61 0.00 -0.19 0.00 -5.35 -1.26 -3.69 119.36 111.48 3i8i n ILE 52 Ca 0.08 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.56 3i8i n ILE 52 Cb 0.20 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.10 3i8i n ILE 52 CO 0.00 0.00 0.00 1.33 -1.76 0.00 0.00 176.55 176.12 3i8i n VAL 53 N 0.00 0.00 0.00 7.28 0.24 0.74 -5.01 118.33 121.57 3i8i n VAL 53 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 3i8i n VAL 53 Cb 0.00 -0.10 0.00 0.00 -1.47 0.00 0.00 33.84 32.27 3i8i n VAL 53 CO 0.00 0.00 0.00 -0.81 -2.14 0.00 0.00 176.83 173.88 3i8i n PRO 54 N 0.93 0.00 -3.76 7.34 -0.04 -1.26 -4.67 135.00 133.54 3i8i n PRO 54 Ca 0.00 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.46 3i8i n PRO 54 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 3i8i n PRO 54 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3i8i s VAL 55 N 3.05 0.00 -0.18 0.52 0.11 -1.26 -4.95 120.40 117.68 3i8i s VAL 55 Ca 0.00 -0.37 -0.04 0.00 -2.93 0.00 0.00 61.98 58.64 3i8i s VAL 55 Cb 0.00 -2.34 -0.22 0.00 -1.53 0.00 0.00 36.38 32.29 3i8i s VAL 55 CO 0.00 0.00 0.10 1.21 -3.33 0.00 0.00 175.10 173.08 3i8i n GLU 56 N -0.60 0.71 -0.05 1.54 2.13 0.50 -4.93 120.64 119.93 3i8i n GLU 56 Ca -0.05 0.23 0.01 0.00 0.66 0.00 0.00 57.16 58.01 3i8i n GLU 56 Cb 0.61 -1.63 -0.00 0.00 0.27 0.00 0.00 31.44 30.69 3i8i n GLU 56 CO 0.00 0.00 0.00 1.51 -0.41 0.00 0.00 177.13 178.23 3i8i n ILE 57 N -3.46 0.00 -3.81 6.31 0.00 -1.24 -4.75 119.36 112.41 3i8i n ILE 57 Ca -0.38 0.01 -0.03 0.00 0.00 0.00 0.00 62.75 62.35 3i8i n ILE 57 Cb 1.01 -0.03 -0.01 0.00 0.00 0.00 0.00 39.64 40.61 3i8i n ILE 57 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 3i8i n THR 58 N -1.99 0.00 0.00 9.51 -2.24 -1.26 -4.64 114.28 113.66 3i8i n THR 58 Ca -0.00 -0.41 0.00 0.00 -2.27 0.00 0.00 64.05 61.37 3i8i n THR 58 Cb 0.02 0.23 0.00 0.00 -2.10 0.00 0.00 70.33 68.48 3i8i n THR 58 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 3i8i n ILE 59 N -0.12 0.00 0.00 2.28 2.08 -1.26 -4.32 119.36 118.02 3i8i n ILE 59 Ca 0.01 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.32 3i8i n ILE 59 Cb 0.12 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.01 3i8i n ILE 59 CO 0.00 0.00 0.00 -1.22 0.56 0.00 0.00 176.55 175.89 3i8i n TYR 60 N -0.32 0.00 0.00 1.39 4.02 -1.26 -4.64 117.16 116.35 3i8i n TYR 60 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 3i8i n TYR 60 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.32 3i8i n TYR 60 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3i8i n ALA 61 N 1.03 0.00 -3.55 -0.72 0.00 -1.26 -5.05 120.51 110.97 3i8i n ALA 61 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 3i8i n ALA 61 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 3i8i n ALA 61 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3i8i s ASP 62 N 0.00 -0.48 0.00 0.00 3.68 -1.26 -5.12 116.67 113.49 3i8i s ASP 62 Ca 0.00 0.50 0.00 0.00 2.13 0.00 0.00 52.55 55.18 3i8i s ASP 62 Cb 0.00 0.40 0.00 0.00 -1.45 0.00 0.00 42.92 41.87 3i8i s ASP 62 CO 0.00 -0.46 0.00 -1.14 0.13 0.00 0.00 175.17 173.70 3i8i n ARG 63 N 0.74 0.00 0.00 4.34 0.00 -1.26 -5.10 116.66 115.38 3i8i n ARG 63 Ca -0.14 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.71 3i8i n ARG 63 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.04 3i8i n ARG 63 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.63 176.50 3i8i n SER 64 N 0.00 0.00 -0.19 6.15 3.41 -1.26 -4.20 113.62 117.53 3i8i n SER 64 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 3i8i n SER 64 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 3i8i n SER 64 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 3i8i n PHE 65 N -1.74 0.00 0.00 7.33 -0.00 -1.26 -4.97 117.46 116.81 3i8i n PHE 65 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.45 3i8i n PHE 65 Cb 0.00 -0.22 0.00 0.00 -0.00 0.00 0.00 39.48 39.26 3i8i n PHE 65 CO 0.00 0.00 0.00 -2.37 -0.00 0.00 0.00 176.76 174.39 3i8i n THR 66 N 1.30 0.00 -0.79 -2.13 5.66 -1.26 -5.09 114.28 111.97 3i8i n THR 66 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 3i8i n THR 66 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 3i8i n THR 66 CO 0.00 0.00 0.00 0.49 -3.05 0.00 0.00 175.07 172.51 3i8i n PHE 67 N 0.00 -1.75 0.00 1.09 3.72 -1.26 -5.06 117.46 114.20 3i8i n PHE 67 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 3i8i n PHE 67 Cb 0.00 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.54 3i8i n PHE 67 CO 0.00 0.00 0.00 1.55 -0.05 0.00 0.00 176.76 178.26 3i8i n VAL 68 N -0.78 0.00 -2.27 -4.37 3.14 -1.26 -4.88 118.33 107.91 3i8i n VAL 68 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 3i8i n VAL 68 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.78 3i8i n VAL 68 CO 0.00 0.00 0.00 0.41 -6.46 0.00 0.00 176.83 170.78 3i8i n THR 69 N -1.23 0.00 0.00 1.55 -1.04 -1.26 0.19 114.28 112.49 3i8i n THR 69 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 3i8i n THR 69 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 3i8i n THR 69 CO 0.00 0.00 0.00 2.29 -0.64 0.00 0.00 175.07 176.72 3i8i n LYS 70 N 0.00 0.00 -2.94 -2.82 2.85 -1.26 -4.92 118.16 109.07 3i8i n LYS 70 Ca 0.00 0.00 -0.42 0.00 -1.05 0.00 0.00 58.31 56.84 3i8i n LYS 70 Cb 0.00 0.00 -0.05 0.00 -0.65 0.00 0.00 35.03 34.33 3i8i n LYS 70 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 177.40 178.30 3i8i s THR 71 N 0.00 4.80 0.00 0.58 -4.23 -1.26 -4.92 115.64 110.60 3i8i s THR 71 Ca 0.00 1.22 0.15 0.00 -1.18 0.00 0.00 61.69 61.88 3i8i s THR 71 Cb 0.00 -4.14 0.25 0.00 1.34 0.00 0.00 72.50 69.95 3i8i s THR 71 CO 0.00 -0.23 1.09 -0.81 -0.54 0.00 0.00 174.62 174.12 3i8i n PRO 72 N 6.19 0.00 0.00 3.99 -0.04 -1.26 -4.57 135.00 139.30 3i8i n PRO 72 Ca 0.04 -1.55 0.00 0.00 -0.04 0.00 0.00 63.50 61.95 3i8i n PRO 72 Cb 0.48 -0.16 0.00 0.00 -0.04 0.00 0.00 33.50 33.78 3i8i n PRO 72 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 3i8i n PRO 73 N 0.29 1.65 -1.31 0.54 -0.04 -1.26 -0.19 135.00 134.68 3i8i n PRO 73 Ca 0.02 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.38 3i8i n PRO 73 Cb 0.96 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 34.37 3i8i n PRO 73 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3i8i n ALA 74 N -3.00 -0.16 0.00 0.55 0.00 -1.26 -4.27 120.51 112.36 3i8i n ALA 74 Ca 0.00 0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.61 3i8i n ALA 74 Cb 0.00 -1.58 0.00 0.00 0.00 0.00 0.00 19.45 17.87 3i8i n ALA 74 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3i8i n SER 75 N -0.79 0.00 0.00 0.00 7.64 -1.26 -4.72 113.62 114.48 3i8i n SER 75 Ca -0.11 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.77 3i8i n SER 75 Cb 0.51 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.71 3i8i n SER 75 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3i8i n TYR 76 N 0.00 -0.01 -0.05 1.43 9.36 -1.24 -4.38 117.16 122.27 3i8i n TYR 76 Ca 0.00 0.00 0.18 0.00 3.32 0.00 0.00 57.90 61.40 3i8i n TYR 76 Cb 0.00 0.05 0.28 0.00 -0.63 0.00 0.00 39.34 39.05 3i8i n TYR 76 CO 0.00 0.00 0.00 1.28 0.22 0.00 0.00 176.86 178.36 3i8i n LEU 77 N -2.54 0.00 0.00 2.98 4.32 -1.26 0.19 117.00 120.69 3i8i n LEU 77 Ca 0.00 0.63 0.00 0.00 -0.02 0.00 0.00 56.01 56.62 3i8i n LEU 77 Cb 0.00 -0.17 0.00 0.00 -1.62 0.00 0.00 43.42 41.63 3i8i n LEU 77 CO 0.00 -0.63 0.31 -0.38 -1.22 0.00 0.00 177.39 175.46 3i8i n ILE 78 N -2.88 0.00 0.06 -0.08 -0.00 -1.26 -3.56 119.36 111.64 3i8i n ILE 78 Ca 0.15 1.07 0.00 0.00 -0.00 0.00 0.00 62.75 63.98 3i8i n ILE 78 Cb 1.28 -1.99 0.03 0.00 -0.00 0.00 0.00 39.64 38.96 3i8i n ILE 78 CO 0.00 0.00 0.00 -2.11 -0.00 0.00 0.00 176.55 174.44 3i8i n ARG 79 N -1.53 0.02 0.00 0.38 1.85 0.50 0.12 116.66 118.00 3i8i n ARG 79 Ca 0.00 0.09 0.04 0.00 -1.00 0.00 0.00 57.85 56.98 3i8i n ARG 79 Cb 0.00 -1.50 0.22 0.00 -1.05 0.00 0.00 32.46 30.13 3i8i n ARG 79 CO 0.00 0.00 0.00 0.36 -0.01 0.00 0.00 177.63 177.98 3i8i n LYS 80 N -1.09 0.61 0.00 2.89 -0.00 -0.80 -4.71 118.16 115.06 3i8i n LYS 80 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.32 3i8i n LYS 80 Cb 0.00 -1.19 0.00 0.00 -0.00 0.00 0.00 35.03 33.84 3i8i n LYS 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3i8i n ALA 81 N -0.69 0.00 0.00 0.58 0.00 -0.13 -5.12 120.51 115.14 3i8i n ALA 81 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.50 3i8i n ALA 81 Cb 0.03 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.48 3i8i n ALA 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i8i n ALA 82 N 0.00 -0.04 -0.95 0.00 0.00 0.32 -0.25 120.51 119.59 3i8i n ALA 82 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.39 3i8i n ALA 82 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 3i8i n ALA 82 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i8i n GLY 83 N 0.00 0.48 4.37 0.00 0.00 -1.26 0.13 105.19 108.91 3i8i n GLY 83 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 3i8i n GLY 83 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3i8i n LEU 84 N -0.68 -1.13 -3.98 0.99 4.32 0.66 -2.89 117.00 114.30 3i8i n LEU 84 Ca -0.05 -1.21 -0.41 0.00 -0.02 0.00 0.00 56.01 54.32 3i8i n LEU 84 Cb 0.39 -1.72 -0.01 0.00 -1.62 0.00 0.00 43.42 40.46 3i8i n LEU 84 CO 0.08 0.29 2.33 -0.62 -1.22 0.00 0.00 177.39 178.25 3i8i n GLU 85 N -4.33 2.61 -1.63 3.23 -0.58 0.34 -4.53 120.64 115.75 3i8i n GLU 85 Ca -0.09 -2.62 -0.32 0.00 -0.42 0.00 0.00 57.16 53.71 3i8i n GLU 85 Cb 0.57 -3.31 -0.01 0.00 -0.57 0.00 0.00 31.44 28.12 3i8i n GLU 85 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 3i8i n LYS 86 N 6.96 2.53 0.04 3.49 4.76 -1.26 -4.62 118.16 130.05 3i8i n LYS 86 Ca 0.50 -2.83 0.00 0.00 -2.87 0.00 0.00 58.31 53.11 3i8i n LYS 86 Cb 0.41 -2.18 0.00 0.00 -1.84 0.00 0.00 35.03 31.43 3i8i n LYS 86 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3i8i n GLY 87 N 0.20 -0.06 7.00 0.72 0.00 -1.26 -4.78 105.19 107.01 3i8i n GLY 87 Ca 0.51 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.53 3i8i n GLY 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i8i n ALA 88 N -0.83 0.00 -2.83 4.61 0.00 -1.26 -4.39 120.51 115.81 3i8i n ALA 88 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.18 3i8i n ALA 88 Cb 0.43 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.85 3i8i n ALA 88 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 3i8i s HIS 89 N 0.00 3.48 0.00 0.00 -3.43 -1.26 -4.63 115.29 109.45 3i8i s HIS 89 Ca 0.00 0.24 0.00 0.00 -0.80 0.00 0.00 55.06 54.50 3i8i s HIS 89 Cb 0.00 -1.77 0.00 0.00 -1.43 0.00 0.00 32.58 29.38 3i8i s HIS 89 CO 0.00 0.41 0.00 1.17 -2.00 0.00 0.00 174.74 174.32 3i8i n LYS 90 N -0.77 0.00 0.12 -0.38 0.00 -1.26 -4.24 118.16 111.63 3i8i n LYS 90 Ca -0.06 0.00 -0.01 0.00 0.00 0.00 0.00 58.31 58.25 3i8i n LYS 90 Cb 0.54 0.00 0.07 0.00 0.00 0.00 0.00 35.03 35.64 3i8i n LYS 90 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.40 176.40 3i8i h PRO 91 N 0.00 0.00 0.00 1.64 0.13 -1.89 -3.45 132.00 128.43 3i8i h PRO 91 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 3i8i h PRO 91 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 3i8i h PRO 91 CO 0.00 0.66 0.00 0.41 -0.23 0.00 0.00 178.00 178.84 3i8i n GLY 92 N 0.89 2.89 1.41 1.56 0.00 -1.26 -4.36 105.19 106.32 3i8i n GLY 92 Ca 0.00 -0.17 -0.11 0.00 0.00 0.00 0.00 46.02 45.75 3i8i n GLY 92 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i8i n ARG 93 N 0.00 2.54 0.00 1.61 1.74 -1.20 -3.37 116.66 117.98 3i8i n ARG 93 Ca 0.00 -3.64 0.01 0.00 -0.77 0.00 0.00 57.85 53.44 3i8i n ARG 93 Cb 0.00 -1.97 0.00 0.00 -1.02 0.00 0.00 32.46 29.47 3i8i n ARG 93 CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 3i8i n GLU 94 N -0.94 1.56 -3.06 5.56 0.28 -1.25 -4.65 120.64 118.14 3i8i n GLU 94 Ca 0.35 -0.40 -0.13 0.00 -0.16 0.00 0.00 57.16 56.82 3i8i n GLU 94 Cb 0.87 -0.88 0.01 0.00 1.43 0.00 0.00 31.44 32.88 3i8i n GLU 94 CO 0.00 0.00 0.00 0.36 -0.16 0.00 0.00 177.13 177.33 3i8i n LYS 95 N -0.27 -2.06 -0.48 3.44 2.85 -1.22 -4.73 118.16 115.69 3i8i n LYS 95 Ca 0.01 1.81 0.40 0.00 -1.05 0.00 0.00 58.31 59.48 3i8i n LYS 95 Cb 0.03 -4.90 0.69 0.00 -0.65 0.00 0.00 35.03 30.21 3i8i n LYS 95 CO 0.00 0.00 0.00 -0.39 -0.05 0.00 0.00 177.40 176.96 3i8i h VAL 96 N 1.59 0.15 -2.97 0.58 -1.51 -1.83 -3.39 116.25 108.87 3i8i h VAL 96 Ca -0.13 -0.03 -0.07 0.00 -1.23 0.00 0.00 66.70 65.24 3i8i h VAL 96 Cb 1.09 0.07 -0.16 0.00 -2.13 0.00 0.00 31.29 30.16 3i8i h VAL 96 CO 0.23 0.01 -0.07 -0.83 -1.23 0.00 0.00 177.57 175.69 3i8i s GLY 97 N -4.07 -0.31 -0.24 5.19 0.00 -1.14 -4.89 107.32 101.86 3i8i s GLY 97 Ca -0.07 0.38 -0.03 0.00 0.00 0.00 0.00 44.72 44.99 3i8i s GLY 97 CO 0.84 0.11 0.19 1.09 0.00 0.00 0.00 173.10 175.33 3i8i s ARG 98 N -2.48 0.20 0.00 2.90 3.03 -1.26 -4.83 118.95 116.52 3i8i s ARG 98 Ca -0.05 -0.10 0.00 0.00 2.03 0.00 0.00 55.73 57.61 3i8i s ARG 98 Cb -0.01 -1.18 0.00 0.00 -1.03 0.00 0.00 34.95 32.73 3i8i s ARG 98 CO -0.02 -0.83 0.00 0.44 -1.13 0.00 0.00 175.30 173.76 3i8i n ILE 99 N 5.29 0.00 -3.76 4.99 -5.35 -1.26 -4.85 119.36 114.43 3i8i n ILE 99 Ca -0.05 0.00 -0.10 0.00 -0.27 0.00 0.00 62.75 62.33 3i8i n ILE 99 Cb 0.47 0.00 -0.06 0.00 -1.74 0.00 0.00 39.64 38.31 3i8i n ILE 99 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 3i8i s THR 100 N 2.10 0.11 -0.69 7.28 -4.23 -1.26 -4.63 115.64 114.31 3i8i s THR 100 Ca 0.00 -0.87 0.00 0.00 -1.18 0.00 0.00 61.69 59.64 3i8i s THR 100 Cb 0.00 -1.20 0.00 0.00 1.34 0.00 0.00 72.50 72.64 3i8i s THR 100 CO 0.00 -0.48 0.23 -2.67 -0.54 0.00 0.00 174.62 171.16 3i8i n TRP 101 N 0.00 0.00 0.00 3.99 4.27 -1.26 -3.50 117.44 120.95 3i8i n TRP 101 Ca -0.16 -0.05 0.00 0.00 -3.89 0.00 0.00 57.50 53.40 3i8i n TRP 101 Cb 0.62 -0.07 0.00 0.00 -1.36 0.00 0.00 31.31 30.50 3i8i n TRP 101 CO 0.00 0.00 0.00 -1.91 -2.29 0.00 0.00 177.69 173.49 3i8i n GLU 102 N 0.48 0.00 0.30 -2.67 2.13 -1.26 -2.28 120.64 117.34 3i8i n GLU 102 Ca 0.00 0.00 0.19 0.00 0.66 0.00 0.00 57.16 58.01 3i8i n GLU 102 Cb 0.11 -0.13 1.02 0.00 0.27 0.00 0.00 31.44 32.71 3i8i n GLU 102 CO 0.00 0.00 0.00 1.96 -0.41 0.00 0.00 177.13 178.68 3i8i h GLN 103 N 0.00 0.00 0.00 5.31 1.08 -1.98 -3.32 115.11 116.20 3i8i h GLN 103 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 3i8i h GLN 103 Cb 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.43 3i8i h GLN 103 CO 0.00 0.00 0.00 0.28 -0.95 0.00 0.00 178.83 178.16 3i8i n VAL 104 N -3.32 0.00 0.00 -0.54 0.31 -1.23 -3.67 118.33 109.88 3i8i n VAL 104 Ca -0.02 0.53 0.00 0.00 -0.01 0.00 0.00 64.34 64.85 3i8i n VAL 104 Cb 0.18 -1.29 0.00 0.00 -0.91 0.00 0.00 33.84 31.82 3i8i n VAL 104 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3i8i n LEU 105 N -0.05 0.43 0.00 7.52 -0.00 -0.97 -2.16 117.00 121.77 3i8i n LEU 105 Ca 0.00 0.47 0.00 0.00 -0.00 0.00 0.00 56.01 56.48 3i8i n LEU 105 Cb 0.00 -0.05 0.00 0.00 -0.00 0.00 0.00 43.42 43.37 3i8i n LEU 105 CO 0.00 -0.05 0.42 1.21 -0.00 0.00 0.00 177.39 178.97 3i8i n GLU 106 N -0.64 0.00 0.14 1.47 2.13 -1.26 0.98 120.64 123.46 3i8i n GLU 106 Ca 0.00 0.30 -0.15 0.00 0.66 0.00 0.00 57.16 57.97 3i8i n GLU 106 Cb 0.00 -1.56 -0.09 0.00 0.27 0.00 0.00 31.44 30.07 3i8i n GLU 106 CO 0.00 0.00 0.00 0.97 -0.41 0.00 0.00 177.13 177.69 3i8i h ILE 107 N 0.00 0.00 -2.46 6.31 2.10 -1.51 -0.60 117.51 121.35 3i8i h ILE 107 Ca 0.00 0.00 -0.80 0.00 1.08 0.00 0.00 64.86 65.14 3i8i h ILE 107 Cb 0.12 0.00 -0.26 0.00 -1.09 0.00 0.00 36.82 35.59 3i8i h ILE 107 CO 0.00 0.00 1.05 0.00 -1.08 0.00 0.00 178.15 178.12 3i8i n ALA 108 N -2.83 5.64 -0.07 0.18 0.00 0.28 -4.28 120.51 119.44 3i8i n ALA 108 Ca -0.08 -4.66 -0.12 0.00 0.00 0.00 0.00 53.44 48.58 3i8i n ALA 108 Cb 0.37 -2.35 -0.04 0.00 0.00 0.00 0.00 19.45 17.43 3i8i n ALA 108 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3i8i n LYS 109 N 0.95 0.38 -0.11 0.00 4.81 -0.23 -4.59 118.16 119.37 3i8i n LYS 109 Ca 0.37 0.16 -0.01 0.00 -0.87 0.00 0.00 58.31 57.96 3i8i n LYS 109 Cb 0.30 -1.16 -0.01 0.00 0.02 0.00 0.00 35.03 34.17 3i8i n LYS 109 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3i8i n GLN 110 N -4.06 0.23 -2.31 1.64 10.64 -1.26 -0.50 117.38 121.76 3i8i n GLN 110 Ca -0.20 -0.07 -0.03 0.00 -1.83 0.00 0.00 57.00 54.87 3i8i n GLN 110 Cb 0.51 -1.49 0.04 0.00 -0.86 0.00 0.00 30.24 28.44 3i8i n GLN 110 CO 0.00 0.00 0.00 0.36 -1.83 0.00 0.00 177.06 175.59 3i8i n LYS 111 N 2.38 0.53 -0.11 2.61 0.00 -1.26 -4.92 118.16 117.39 3i8i n LYS 111 Ca 0.03 -0.76 0.01 0.00 -0.00 0.00 0.00 58.31 57.59 3i8i n LYS 111 Cb 0.11 0.08 0.31 0.00 -0.00 0.00 0.00 35.03 35.53 3i8i n LYS 111 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.40 179.38 3i8i h MET 112 N 0.89 0.76 0.00 -1.58 4.05 -1.07 -3.38 114.93 114.60 3i8i h MET 112 Ca -0.33 -0.07 0.00 0.00 -0.28 0.00 0.00 59.70 59.02 3i8i h MET 112 Cb 1.19 -0.16 0.00 0.00 -0.80 0.00 0.00 31.60 31.83 3i8i h MET 112 CO -0.12 0.55 0.00 -2.30 0.23 0.00 0.00 176.91 175.27 3i8i n PRO 113 N -4.40 0.00 0.00 0.39 -0.02 -1.26 -4.43 135.00 125.28 3i8i n PRO 113 Ca 0.05 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.53 3i8i n PRO 113 Cb 0.09 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.57 3i8i n PRO 113 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 3i8i n ASP 114 N 0.00 0.00 -0.00 2.55 5.75 -1.26 -4.35 116.55 119.23 3i8i n ASP 114 Ca 0.00 0.00 -0.14 0.00 -0.01 0.00 0.00 54.79 54.64 3i8i n ASP 114 Cb 0.00 0.00 -0.14 0.00 -1.03 0.00 0.00 41.12 39.95 3i8i n ASP 114 CO 0.00 0.00 0.00 0.17 -0.11 0.00 0.00 177.20 177.26 3i8i h LEU 115 N 0.00 0.20 0.00 -2.12 8.10 -1.96 -3.46 115.31 116.07 3i8i h LEU 115 Ca 0.00 -0.43 0.00 0.00 0.11 0.00 0.00 57.88 57.56 3i8i h LEU 115 Cb 0.00 -0.06 0.00 0.00 -0.44 0.00 0.00 40.66 40.16 3i8i h LEU 115 CO 0.00 1.38 0.00 -3.20 -4.11 0.00 0.00 178.44 172.51 3i8i n ASN 116 N -3.25 0.00 -2.88 0.17 2.85 -1.26 -5.07 115.26 105.82 3i8i n ASN 116 Ca -0.23 0.00 0.04 0.00 -0.11 0.00 0.00 54.58 54.28 3i8i n ASN 116 Cb 1.05 0.00 0.01 0.00 1.24 0.00 0.00 39.78 42.07 3i8i n ASN 116 CO 0.00 0.00 0.00 0.42 -2.11 0.00 0.00 177.26 175.57 3i8i s THR 117 N 0.00 -0.05 -1.36 -0.44 -4.23 -1.26 -5.10 115.64 103.20 3i8i s THR 117 Ca 0.00 0.00 0.21 0.00 -1.18 0.00 0.00 61.69 60.72 3i8i s THR 117 Cb 0.00 -0.02 -0.14 0.00 1.34 0.00 0.00 72.50 73.68 3i8i s THR 117 CO 0.00 0.00 0.94 1.07 -0.54 0.00 0.00 174.62 176.09 3i8i n THR 118 N 4.19 0.00 -1.85 3.99 5.66 -1.26 -3.52 114.28 121.49 3i8i n THR 118 Ca 0.07 -0.12 -0.42 0.00 -3.05 0.00 0.00 64.05 60.53 3i8i n THR 118 Cb 0.62 1.10 -0.03 0.00 -1.55 0.00 0.00 70.33 70.47 3i8i n THR 118 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 3i8i s ASP 119 N -2.72 6.56 0.20 1.09 -1.08 -1.26 -4.62 116.67 114.84 3i8i s ASP 119 Ca 0.12 2.47 -0.32 0.00 -0.52 0.00 0.00 52.55 54.30 3i8i s ASP 119 Cb 0.16 -2.54 -0.12 0.00 -1.46 0.00 0.00 42.92 38.96 3i8i s ASP 119 CO 0.72 -0.97 1.74 -0.11 0.52 0.00 0.00 175.17 177.07 3i8i n LEU 120 N 6.89 3.98 0.00 -1.34 7.94 -1.26 0.11 117.00 133.33 3i8i n LEU 120 Ca 0.18 1.05 0.00 0.00 -1.11 0.00 0.00 56.01 56.13 3i8i n LEU 120 Cb 0.41 -1.57 0.00 0.00 0.53 0.00 0.00 43.42 42.80 3i8i n LEU 120 CO 0.65 0.17 0.00 -0.62 -1.11 0.00 0.00 177.39 176.48 3i8i n GLU 121 N 4.19 0.00 0.00 1.96 -0.58 -1.26 -4.93 120.64 120.02 3i8i n GLU 121 Ca 0.16 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.90 3i8i n GLU 121 Cb 0.35 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.22 3i8i n GLU 121 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3i8i n ALA 122 N -0.93 1.33 0.04 0.62 0.00 0.31 -4.83 120.51 117.04 3i8i n ALA 122 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3i8i n ALA 122 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.46 3i8i n ALA 122 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i8i n ALA 123 N -1.51 1.52 -1.95 0.00 0.00 -1.23 -4.34 120.51 113.00 3i8i n ALA 123 Ca 0.00 -0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.15 3i8i n ALA 123 Cb 0.00 -1.01 0.17 0.00 0.00 0.00 0.00 19.45 18.61 3i8i n ALA 123 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i8i s ALA 124 N -2.00 2.57 0.00 0.00 0.00 -1.26 -4.16 121.76 116.91 3i8i s ALA 124 Ca 0.01 -1.34 0.00 0.00 0.00 0.00 0.00 51.96 50.63 3i8i s ALA 124 Cb 0.00 -2.59 0.00 0.00 0.00 0.00 0.00 23.12 20.53 3i8i s ALA 124 CO 0.01 -2.23 0.00 0.54 0.00 0.00 0.00 175.76 174.08 3i8i n ARG 125 N -3.56 0.00 0.00 0.00 5.12 -1.26 -4.47 116.66 112.49 3i8i n ARG 125 Ca 0.15 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.07 3i8i n ARG 125 Cb 0.60 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.90 3i8i n ARG 125 CO 0.00 0.00 0.00 -1.33 -1.93 0.00 0.00 177.63 174.37 3i8i n MET 126 N 0.00 0.00 -0.41 5.56 2.81 -1.26 0.71 117.12 124.53 3i8i n MET 126 Ca 0.00 0.00 0.34 0.00 -1.81 0.00 0.00 57.70 56.23 3i8i n MET 126 Cb 0.00 0.00 0.64 0.00 -0.71 0.00 0.00 33.22 33.15 3i8i n MET 126 CO 0.00 0.00 0.00 0.82 1.51 0.00 0.00 175.97 178.30 3i8i h ILE 127 N 0.00 0.27 -0.20 2.02 5.03 -1.78 2.79 117.51 125.64 3i8i h ILE 127 Ca 0.00 -0.05 0.06 0.00 -0.12 0.00 0.00 64.86 64.74 3i8i h ILE 127 Cb 0.00 0.10 -0.01 0.00 -3.03 0.00 0.00 36.82 33.88 3i8i h ILE 127 CO 0.00 0.03 0.16 0.00 -0.68 0.00 0.00 178.15 177.66 3i8i h ALA 128 N 1.53 2.06 0.00 1.87 0.00 2.40 -0.63 119.26 126.49 3i8i h ALA 128 Ca 0.73 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.63 3i8i h ALA 128 Cb 2.31 0.02 0.00 0.00 0.00 0.00 0.00 17.79 20.11 3i8i h ALA 128 CO -0.29 -0.27 0.15 0.41 0.00 0.00 0.00 179.25 179.26 3i8i n GLY 129 N -1.52 -0.70 0.00 0.00 0.00 0.93 -1.15 105.19 102.75 3i8i n GLY 129 Ca 0.02 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.18 3i8i n GLY 129 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3i8i n SER 130 N -2.07 0.00 -0.18 1.61 7.64 -0.24 -4.39 113.62 115.98 3i8i n SER 130 Ca -0.01 0.00 -0.10 0.00 1.01 0.00 0.00 58.87 59.77 3i8i n SER 130 Cb 0.18 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.30 3i8i n SER 130 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3i8i h ALA 131 N -1.53 -0.61 0.10 -0.43 0.00 -1.68 -2.07 119.26 113.05 3i8i h ALA 131 Ca 0.00 0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.95 3i8i h ALA 131 Cb 0.00 1.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.88 3i8i h ALA 131 CO 0.00 -0.86 -0.47 -0.09 0.00 0.00 0.00 179.25 177.83 3i8i h ARG 132 N -0.22 -0.64 0.00 0.00 1.12 -1.72 -2.03 114.38 110.89 3i8i h ARG 132 Ca 0.08 0.04 0.00 0.00 -1.11 0.00 0.00 59.98 58.99 3i8i h ARG 132 Cb 0.43 0.15 0.00 0.00 -0.01 0.00 0.00 29.97 30.53 3i8i h ARG 132 CO -0.56 -0.43 0.25 0.45 -3.11 0.00 0.00 179.97 176.57 3i8i n SER 133 N -5.13 0.00 -4.53 -3.80 2.88 -0.30 -3.27 113.62 99.47 3i8i n SER 133 Ca -0.07 0.09 -0.43 0.00 -1.33 0.00 0.00 58.87 57.13 3i8i n SER 133 Cb 0.37 -0.09 -0.04 0.00 -0.75 0.00 0.00 64.21 63.69 3i8i n SER 133 CO 0.00 0.00 0.00 -0.32 -1.23 0.00 0.00 175.04 173.49 3i8i s MET 134 N -1.95 3.37 0.00 -1.46 -2.45 -0.76 -4.79 119.30 111.25 3i8i s MET 134 Ca 0.00 -0.18 0.00 0.00 -1.25 0.00 0.00 55.69 54.26 3i8i s MET 134 Cb 0.00 -4.01 0.00 0.00 1.25 0.00 0.00 34.83 32.07 3i8i s MET 134 CO 0.00 -1.36 0.00 0.41 1.05 0.00 0.00 175.02 175.12 3i8i n GLY 135 N 5.06 0.00 0.00 2.11 0.00 -1.22 -3.82 105.19 107.33 3i8i n GLY 135 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 3i8i n GLY 135 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3i8i n VAL 136 N 0.82 0.00 0.00 1.61 0.24 -1.26 -3.26 118.33 116.48 3i8i n VAL 136 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 3i8i n VAL 136 Cb 0.03 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.40 3i8i n VAL 136 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3i8i n GLU 137 N 0.00 0.00 0.00 7.34 -0.58 -1.20 -5.05 120.64 121.15 3i8i n GLU 137 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 3i8i n GLU 137 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 3i8i n GLU 137 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 3i8i n VAL 138 N -0.74 0.00 0.00 2.62 0.31 -1.26 -4.90 118.33 114.35 3i8i n VAL 138 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3i8i n VAL 138 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 3i8i n VAL 138 CO 0.00 0.00 0.00 0.55 -1.32 0.00 0.00 176.83 176.06 3i8i n VAL 139 N 0.00 0.00 -4.85 2.52 3.14 -1.26 -5.00 118.33 112.87 3i8i n VAL 139 Ca 0.00 0.00 -0.33 0.00 -2.96 0.00 0.00 64.34 61.05 3i8i n VAL 139 Cb 0.00 0.00 -0.14 0.00 -1.06 0.00 0.00 33.84 32.64 3i8i n VAL 139 CO 0.00 0.00 0.00 -0.83 -6.46 0.00 0.00 176.83 169.54 3i8i s GLY 140 N 0.00 1.51 0.00 7.55 0.00 -1.26 -4.21 107.32 110.91 3i8i s GLY 140 Ca 0.00 -0.92 0.00 0.00 0.00 0.00 0.00 44.72 43.80 3i8i s GLY 140 CO 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 173.10 172.78 3i8i n ALA 141 N 3.28 0.00 -1.90 3.20 0.00 -1.26 -4.28 120.51 119.55 3i8i n ALA 141 Ca -0.18 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 52.90 3i8i n ALA 141 Cb 0.53 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.93 3i8i n ALA 141 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3i8i n PRO 142 N 0.00 1.95 -1.69 0.00 -0.02 -1.26 -4.93 135.00 129.05 3i8i n PRO 142 Ca 0.00 -2.46 0.00 0.00 -2.02 0.00 0.00 63.50 59.02 3i8i n PRO 142 Cb 0.00 -3.45 0.00 0.00 -0.02 0.00 0.00 33.50 30.03 3i8i n PRO 142 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3i8i n GLU 143 N 7.81 -1.88 0.00 -0.52 -0.58 -1.26 -4.80 120.64 119.41 3i8i n GLU 143 Ca 0.47 1.33 0.00 0.00 -0.42 0.00 0.00 57.16 58.55 3i8i n GLU 143 Cb 0.44 -1.79 0.00 0.00 -0.57 0.00 0.00 31.44 29.53 3i8i n GLU 143 CO 0.00 0.00 0.00 1.55 -0.48 0.00 0.00 177.13 178.20 3i8i n VAL 144 N 1.23 0.00 0.00 2.62 3.14 -1.26 -4.96 118.33 119.09 3i8i n VAL 144 Ca 0.00 0.60 0.00 0.00 -2.96 0.00 0.00 64.34 61.98 3i8i n VAL 144 Cb 0.00 -0.82 0.00 0.00 -1.06 0.00 0.00 33.84 31.96 3i8i n VAL 144 CO 0.00 0.00 0.00 0.29 -6.46 0.00 0.00 176.83 170.66 3i8i n LYS 145 N -1.91 0.00 0.00 1.45 4.76 -1.26 -5.12 118.16 116.07 3i8i n LYS 145 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 3i8i n LYS 145 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 3i8i n LYS 145 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 3i8i n ASP 146 N 0.00 0.00 0.00 4.39 8.00 -1.26 -5.30 116.55 122.38 3i8i n ASP 146 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 3i8i n ASP 146 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 3i8i n ASP 146 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81