#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3l5p s MET 2 N 0.00 0.76 -0.13 -0.52 1.75 -0.00 -0.91 119.30 120.25 3l5p s MET 2 Ca 0.00 0.01 0.02 0.00 -1.25 0.00 0.00 55.69 54.48 3l5p s MET 2 Cb 0.00 -1.00 0.01 0.00 2.84 0.00 0.00 34.83 36.68 3l5p s MET 2 CO 0.00 -0.24 -0.21 0.12 -0.65 0.00 0.00 175.02 174.04 3l5p s PHE 3 N 1.66 2.52 -0.10 4.11 5.36 -0.19 -0.93 117.98 130.41 3l5p s PHE 3 Ca 0.01 -1.24 0.03 0.00 -0.96 0.00 0.00 56.93 54.77 3l5p s PHE 3 Cb -0.13 -1.73 -0.01 0.00 -0.34 0.00 0.00 43.02 40.82 3l5p s PHE 3 CO -0.04 -0.57 -0.21 0.42 -1.46 0.00 0.00 175.22 173.35 3l5p s ILE 4 N 0.82 2.34 -0.17 3.12 -1.09 -0.39 -0.97 121.20 124.85 3l5p s ILE 4 Ca -0.08 -0.93 0.01 0.00 -2.23 0.00 0.00 60.65 57.42 3l5p s ILE 4 Cb -0.16 -1.91 0.02 0.00 -1.58 0.00 0.00 42.46 38.83 3l5p s ILE 4 CO -0.01 0.56 -0.20 -0.69 -1.23 0.00 0.00 174.94 173.37 3l5p s VAL 5 N 0.18 2.03 -0.15 2.92 1.01 0.59 -1.63 120.40 125.36 3l5p s VAL 5 Ca -0.12 -0.93 -0.04 0.00 0.00 0.00 0.00 61.98 60.89 3l5p s VAL 5 Cb -0.16 -1.83 -0.03 0.00 0.00 0.00 0.00 36.38 34.35 3l5p s VAL 5 CO 0.07 0.54 -0.01 0.20 0.00 0.00 0.00 175.10 175.89 3l5p s ASN 6 N 1.26 5.01 0.01 3.32 0.01 -0.21 0.36 114.94 124.70 3l5p s ASN 6 Ca 0.04 -0.05 -0.13 0.00 -0.71 0.00 0.00 52.86 52.01 3l5p s ASN 6 Cb -0.13 -1.76 0.02 0.00 0.41 0.00 0.00 41.25 39.78 3l5p s ASN 6 CO -0.12 0.20 0.27 0.28 -1.51 0.00 0.00 177.10 176.22 3l5p s THR 7 N 0.17 0.08 -1.81 1.60 -1.32 -0.18 -0.74 115.64 113.44 3l5p s THR 7 Ca -0.00 -0.63 0.29 0.00 -1.21 0.00 0.00 61.69 60.14 3l5p s THR 7 Cb -0.13 -0.74 0.52 0.00 -1.51 0.00 0.00 72.50 70.64 3l5p s THR 7 CO 0.02 -0.35 1.88 -0.46 -2.21 0.00 0.00 174.62 173.51 3l5p n ASN 8 N 0.99 0.57 -4.76 8.08 6.94 -1.23 -1.24 115.26 124.61 3l5p n ASN 8 Ca -0.20 -0.77 -0.41 0.00 -0.02 0.00 0.00 54.58 53.18 3l5p n ASN 8 Cb 0.57 -0.04 -0.02 0.00 -2.36 0.00 0.00 39.78 37.93 3l5p n ASN 8 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 3l5p s VAL 9 N -2.35 2.33 0.61 3.53 1.01 -1.26 -4.19 120.40 120.08 3l5p s VAL 9 Ca 0.32 0.29 -0.17 0.00 0.00 0.00 0.00 61.98 62.43 3l5p s VAL 9 Cb 0.20 -3.19 -0.03 0.00 0.00 0.00 0.00 36.38 33.37 3l5p s VAL 9 CO 0.44 0.05 1.12 -2.16 0.00 0.00 0.00 175.10 174.56 3l5p s PRO 10 N -0.90 3.04 0.34 2.72 0.04 -1.26 -1.11 135.00 137.86 3l5p s PRO 10 Ca 0.58 1.50 0.07 0.00 0.04 0.00 0.00 61.00 63.19 3l5p s PRO 10 Cb -0.45 -1.97 0.74 0.00 0.04 0.00 0.00 34.50 32.86 3l5p s PRO 10 CO 0.50 -1.08 1.86 -0.09 0.04 0.00 0.00 177.00 178.23 3l5p h ARG 11 N 0.55 0.75 0.00 4.56 2.43 -1.93 -0.62 114.38 120.13 3l5p h ARG 11 Ca -0.48 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 58.64 3l5p h ARG 11 Cb 1.25 -0.17 -0.00 0.00 -0.42 0.00 0.00 29.97 30.63 3l5p h ARG 11 CO 0.55 0.50 -0.02 0.00 -1.51 0.00 0.00 179.97 179.49 3l5p h ALA 12 N 1.58 1.08 -0.00 2.80 0.00 -2.03 -2.00 119.26 120.69 3l5p h ALA 12 Ca 0.46 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.35 3l5p h ALA 12 Cb 0.65 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.43 3l5p h ALA 12 CO -0.22 0.03 -0.28 0.43 0.00 0.00 0.00 179.25 179.21 3l5p n SER 13 N -3.23 0.72 -4.65 0.00 7.64 -0.24 -4.77 113.62 109.09 3l5p n SER 13 Ca -0.02 -0.58 -0.43 0.00 1.01 0.00 0.00 58.87 58.85 3l5p n SER 13 Cb 0.18 0.09 -0.02 0.00 -1.01 0.00 0.00 64.21 63.45 3l5p n SER 13 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3l5p s VAL 14 N -2.66 4.54 0.47 0.44 1.01 -0.76 -4.76 120.40 118.70 3l5p s VAL 14 Ca 0.21 1.84 -0.20 0.00 0.00 0.00 0.00 61.98 63.83 3l5p s VAL 14 Cb 0.19 -4.27 -0.09 0.00 0.00 0.00 0.00 36.38 32.21 3l5p s VAL 14 CO 0.56 -0.25 1.03 -2.16 0.00 0.00 0.00 175.10 174.28 3l5p s PRO 15 N 3.40 3.87 0.10 2.72 0.04 -1.26 -4.97 135.00 138.90 3l5p s PRO 15 Ca 0.47 1.33 -0.35 0.00 0.04 0.00 0.00 61.00 62.49 3l5p s PRO 15 Cb -0.16 -2.12 -0.15 0.00 0.04 0.00 0.00 34.50 32.11 3l5p s PRO 15 CO 0.10 -0.36 1.50 -0.25 0.04 0.00 0.00 177.00 178.03 3l5p n ASP 16 N -0.89 2.49 0.00 6.66 10.43 -1.26 -2.15 116.55 131.83 3l5p n ASP 16 Ca 0.09 1.09 0.00 0.00 2.57 0.00 0.00 54.79 58.54 3l5p n ASP 16 Cb 0.53 -1.32 0.00 0.00 1.84 0.00 0.00 41.12 42.17 3l5p n ASP 16 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3l5p n GLY 17 N 3.11 0.42 0.15 0.44 0.00 -1.26 -4.99 105.19 103.06 3l5p n GLY 17 Ca 0.18 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.10 3l5p n GLY 17 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3l5p h PHE 18 N 0.00 0.44 -0.69 1.61 3.57 -1.82 -0.15 116.94 119.89 3l5p h PHE 18 Ca 0.00 -0.04 -0.04 0.00 3.53 0.00 0.00 57.97 61.42 3l5p h PHE 18 Cb 0.00 -0.13 -0.03 0.00 2.79 0.00 0.00 35.95 38.58 3l5p h PHE 18 CO 0.00 0.47 0.29 -0.07 -2.23 0.00 0.00 178.31 176.77 3l5p h LEU 19 N 0.27 0.92 -0.46 0.59 3.38 -1.94 -1.53 115.31 116.55 3l5p h LEU 19 Ca 0.09 -0.12 -0.17 0.00 0.09 0.00 0.00 57.88 57.77 3l5p h LEU 19 Cb 0.24 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 3l5p h LEU 19 CO -0.00 0.81 -0.53 0.28 0.09 0.00 0.00 178.44 179.08 3l5p h SER 20 N 0.99 0.73 -0.37 -0.43 0.02 -1.91 -0.97 113.55 111.61 3l5p h SER 20 Ca 0.24 -0.38 -0.04 0.00 -0.84 0.00 0.00 61.79 60.76 3l5p h SER 20 Cb 0.17 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.48 3l5p h SER 20 CO -0.02 1.12 0.06 -0.08 -1.14 0.00 0.00 176.83 176.77 3l5p h GLU 21 N 0.51 0.62 -0.38 3.45 4.81 -0.71 -1.32 114.58 121.56 3l5p h GLU 21 Ca 0.01 -0.16 0.01 0.00 -0.13 0.00 0.00 59.36 59.09 3l5p h GLU 21 Cb 1.10 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 30.38 3l5p h GLU 21 CO 0.11 0.68 0.23 -0.07 -0.73 0.00 0.00 179.01 179.22 3l5p h LEU 22 N 0.46 0.37 -0.15 1.64 3.38 -1.21 -0.48 115.31 119.33 3l5p h LEU 22 Ca 0.11 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.11 3l5p h LEU 22 Cb 0.36 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.00 3l5p h LEU 22 CO 0.01 0.27 -0.03 0.74 0.09 0.00 0.00 178.44 179.52 3l5p h THR 23 N 0.46 0.86 -0.22 0.22 2.02 -0.98 -0.76 112.91 114.52 3l5p h THR 23 Ca 0.15 -0.00 -0.14 0.00 0.77 0.00 0.00 66.41 67.19 3l5p h THR 23 Cb -0.01 0.85 0.00 0.00 -1.74 0.00 0.00 68.15 67.25 3l5p h THR 23 CO -0.06 0.00 -0.39 1.56 0.37 0.00 0.00 175.52 177.00 3l5p h GLN 24 N 0.01 0.66 0.00 6.66 4.20 -1.07 -1.53 115.11 124.03 3l5p h GLN 24 Ca 0.07 -0.41 -0.09 0.00 0.06 0.00 0.00 58.65 58.28 3l5p h GLN 24 Cb 0.10 0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.92 3l5p h GLN 24 CO -0.14 1.03 -0.44 1.96 -0.67 0.00 0.00 178.83 180.57 3l5p h GLN 25 N 0.35 0.00 0.01 1.46 1.08 -1.03 -1.51 115.11 115.48 3l5p h GLN 25 Ca 0.01 0.00 -0.21 0.00 -1.45 0.00 0.00 58.65 57.00 3l5p h GLN 25 Cb 0.99 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.42 3l5p h GLN 25 CO 0.09 0.44 -0.94 -0.07 -0.95 0.00 0.00 178.83 177.40 3l5p h LEU 26 N 0.00 0.36 -0.46 1.46 3.38 -1.05 -0.14 115.31 118.86 3l5p h LEU 26 Ca -0.00 -0.30 -0.01 0.00 0.09 0.00 0.00 57.88 57.66 3l5p h LEU 26 Cb 0.79 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.41 3l5p h LEU 26 CO 0.06 1.12 0.25 0.00 0.09 0.00 0.00 178.44 179.95 3l5p h ALA 27 N 0.86 0.58 -0.36 1.53 0.00 -0.99 -1.39 119.26 119.49 3l5p h ALA 27 Ca -0.06 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 3l5p h ALA 27 Cb 1.58 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 19.17 3l5p h ALA 27 CO 0.15 0.11 0.15 0.37 0.00 0.00 0.00 179.25 180.03 3l5p h GLN 28 N 0.60 0.53 -0.51 0.00 5.75 -1.22 -1.08 115.11 119.18 3l5p h GLN 28 Ca 0.16 -0.09 -0.11 0.00 -0.15 0.00 0.00 58.65 58.46 3l5p h GLN 28 Cb 0.05 -0.09 -0.02 0.00 1.07 0.00 0.00 27.48 28.49 3l5p h GLN 28 CO -0.03 0.51 -0.10 0.00 -2.65 0.00 0.00 178.83 176.56 3l5p h ALA 29 N 1.00 0.85 0.00 3.38 0.00 -0.87 -3.21 119.26 120.41 3l5p h ALA 29 Ca 0.12 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.69 3l5p h ALA 29 Cb 0.17 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.77 3l5p h ALA 29 CO -0.01 0.65 -0.72 0.25 0.00 0.00 0.00 179.25 179.42 3l5p n THR 30 N -4.15 0.00 -1.04 0.00 -2.24 -0.54 -4.95 114.28 101.37 3l5p n THR 30 Ca 0.02 -0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.78 3l5p n THR 30 Cb 0.39 0.58 -0.01 0.00 -2.10 0.00 0.00 70.33 69.19 3l5p n THR 30 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3l5p n GLY 31 N 1.50 0.46 3.87 3.38 0.00 -0.43 -4.99 105.19 108.99 3l5p n GLY 31 Ca 0.05 -0.16 -0.36 0.00 0.00 0.00 0.00 46.02 45.55 3l5p n GLY 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3l5p s LYS 32 N -0.99 3.62 0.56 1.61 -0.14 -1.11 -5.04 119.74 118.26 3l5p s LYS 32 Ca 0.00 0.03 -0.21 0.00 -1.36 0.00 0.00 55.97 54.43 3l5p s LYS 32 Cb 0.00 -3.13 -0.05 0.00 -1.68 0.00 0.00 37.83 32.97 3l5p s LYS 32 CO 0.00 0.69 1.25 -2.30 -0.76 0.00 0.00 175.35 174.23 3l5p n PRO 33 N 1.47 1.44 0.29 -1.68 -0.02 -1.26 -4.51 135.00 130.72 3l5p n PRO 33 Ca -0.14 0.53 0.14 0.00 -2.02 0.00 0.00 63.50 62.02 3l5p n PRO 33 Cb 0.53 -2.46 0.85 0.00 -0.02 0.00 0.00 33.50 32.40 3l5p n PRO 33 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3l5p h PRO 34 N 1.13 0.00 -0.08 0.52 0.11 -1.91 -1.50 132.00 130.26 3l5p h PRO 34 Ca -0.50 0.00 0.02 0.00 0.11 0.00 0.00 66.00 65.63 3l5p h PRO 34 Cb 1.32 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.43 3l5p h PRO 34 CO 0.55 0.03 0.09 1.96 -0.21 0.00 0.00 178.00 180.42 3l5p h GLN 35 N 0.00 0.00 0.00 1.05 7.50 -1.98 -1.64 115.11 120.04 3l5p h GLN 35 Ca -0.00 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.15 3l5p h GLN 35 Cb 0.08 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.61 3l5p h GLN 35 CO 0.00 0.00 -0.21 1.88 -1.50 0.00 0.00 178.83 179.00 3l5p h TYR 36 N 0.00 0.00 -3.42 2.96 -1.99 -1.62 -3.47 116.97 109.43 3l5p h TYR 36 Ca 0.04 0.00 -0.59 0.00 2.00 0.00 0.00 58.73 60.18 3l5p h TYR 36 Cb 0.21 0.00 -0.09 0.00 2.00 0.00 0.00 36.73 38.85 3l5p h TYR 36 CO 0.00 0.00 0.04 0.42 -0.00 0.00 0.00 178.16 178.62 3l5p s ILE 37 N -3.16 5.06 -0.05 -2.88 -1.09 -0.62 -2.71 121.20 115.75 3l5p s ILE 37 Ca 0.08 1.12 0.04 0.00 -2.23 0.00 0.00 60.65 59.66 3l5p s ILE 37 Cb 0.11 -3.91 -0.02 0.00 -1.58 0.00 0.00 42.46 37.05 3l5p s ILE 37 CO 0.66 0.16 -0.18 0.00 -1.23 0.00 0.00 174.94 174.35 3l5p s ALA 38 N 1.60 2.50 0.05 9.38 0.00 -0.09 -4.99 121.76 130.22 3l5p s ALA 38 Ca 0.28 -1.01 0.04 0.00 0.00 0.00 0.00 51.96 51.28 3l5p s ALA 38 Cb -0.16 -0.88 -0.02 0.00 0.00 0.00 0.00 23.12 22.06 3l5p s ALA 38 CO 0.11 0.50 -0.13 0.14 0.00 0.00 0.00 175.76 176.39 3l5p s VAL 39 N -0.54 0.97 -0.15 0.00 -7.23 -1.26 -1.03 120.40 111.17 3l5p s VAL 39 Ca 0.07 -1.10 -0.06 0.00 -1.81 0.00 0.00 61.98 59.09 3l5p s VAL 39 Cb -0.11 -0.93 0.07 0.00 0.56 0.00 0.00 36.38 35.97 3l5p s VAL 39 CO 0.01 -0.15 0.33 -2.28 -0.31 0.00 0.00 175.10 172.69 3l5p s HIS 40 N -1.08 -0.55 -0.13 2.82 5.04 -0.15 -4.96 115.29 116.28 3l5p s HIS 40 Ca -0.02 1.17 0.02 0.00 -1.54 0.00 0.00 55.06 54.69 3l5p s HIS 40 Cb -0.09 0.11 0.01 0.00 0.04 0.00 0.00 32.58 32.65 3l5p s HIS 40 CO 0.01 -0.38 -0.19 0.08 -2.34 0.00 0.00 174.74 171.92 3l5p s VAL 41 N 2.29 1.83 -0.35 0.89 1.01 -1.26 -0.30 120.40 124.51 3l5p s VAL 41 Ca -0.02 -0.84 0.03 0.00 0.00 0.00 0.00 61.98 61.15 3l5p s VAL 41 Cb -0.12 -1.64 0.10 0.00 0.00 0.00 0.00 36.38 34.73 3l5p s VAL 41 CO -0.10 0.51 0.08 -0.69 0.00 0.00 0.00 175.10 174.90 3l5p s VAL 42 N 0.92 1.87 0.87 2.92 1.01 0.16 -4.97 120.40 123.17 3l5p s VAL 42 Ca -0.06 -2.15 -0.10 0.00 0.00 0.00 0.00 61.98 59.66 3l5p s VAL 42 Cb -0.15 -2.38 0.17 0.00 0.00 0.00 0.00 36.38 34.01 3l5p s VAL 42 CO -0.03 -0.65 1.20 -2.16 0.00 0.00 0.00 175.10 173.47 3l5p s PRO 43 N 1.00 1.10 -1.78 2.72 0.04 -1.26 -1.01 135.00 135.81 3l5p s PRO 43 Ca 0.11 -0.61 0.00 0.00 0.04 0.00 0.00 61.00 60.54 3l5p s PRO 43 Cb -0.19 -2.02 0.00 0.00 0.04 0.00 0.00 34.50 32.33 3l5p s PRO 43 CO -0.12 -2.02 0.00 -0.25 0.04 0.00 0.00 177.00 174.65 3l5p n ASP 44 N -3.41 -5.59 -4.83 6.66 8.00 -0.27 -4.82 116.55 112.30 3l5p n ASP 44 Ca 0.15 0.10 -0.33 0.00 0.71 0.00 0.00 54.79 55.41 3l5p n ASP 44 Cb 0.60 -4.67 -0.07 0.00 -0.02 0.00 0.00 41.12 36.97 3l5p n ASP 44 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 3l5p s GLN 45 N -4.68 4.18 -0.75 -1.24 -1.52 -0.37 -4.95 119.66 110.34 3l5p s GLN 45 Ca 0.00 1.00 -0.23 0.00 -1.95 0.00 0.00 55.36 54.18 3l5p s GLN 45 Cb 0.00 -2.27 0.07 0.00 -0.22 0.00 0.00 33.01 30.59 3l5p s GLN 45 CO 0.00 0.03 1.09 -1.17 -0.25 0.00 0.00 175.29 174.99 3l5p s LEU 46 N -3.09 4.17 0.12 2.90 2.96 -1.26 -4.17 118.68 120.32 3l5p s LEU 46 Ca 0.59 -1.08 -0.09 0.00 -0.22 0.00 0.00 54.13 53.34 3l5p s LEU 46 Cb -0.10 -2.46 -0.00 0.00 0.50 0.00 0.00 46.19 44.13 3l5p s LEU 46 CO 0.15 -1.47 0.23 0.00 -1.32 0.00 0.00 176.35 173.94 3l5p s MET 47 N 4.26 0.99 0.03 1.98 0.23 -1.26 -5.08 119.30 120.45 3l5p s MET 47 Ca 0.28 -1.06 0.01 0.00 -1.03 0.00 0.00 55.69 53.89 3l5p s MET 47 Cb -0.12 0.36 -0.02 0.00 -1.53 0.00 0.00 34.83 33.52 3l5p s MET 47 CO 0.06 -0.34 -0.05 0.00 -2.03 0.00 0.00 175.02 172.66 3l5p s ALA 48 N -3.91 0.36 -0.15 3.16 0.00 -1.26 -4.70 121.76 115.25 3l5p s ALA 48 Ca 0.11 -0.67 -0.00 0.00 0.00 0.00 0.00 51.96 51.40 3l5p s ALA 48 Cb 0.04 0.09 0.03 0.00 0.00 0.00 0.00 23.12 23.28 3l5p s ALA 48 CO -0.06 -0.08 -0.08 0.12 0.00 0.00 0.00 175.76 175.66 3l5p s PHE 49 N -1.38 1.81 -1.39 0.00 2.19 -0.44 -4.72 117.98 114.05 3l5p s PHE 49 Ca -0.12 -1.08 0.00 0.00 0.33 0.00 0.00 56.93 56.05 3l5p s PHE 49 Cb -0.10 -1.38 0.00 0.00 -1.31 0.00 0.00 43.02 40.23 3l5p s PHE 49 CO -0.00 -0.61 0.00 0.41 1.83 0.00 0.00 175.22 176.84 3l5p n GLY 50 N 4.85 0.51 2.12 13.12 0.00 -1.26 -2.18 105.19 122.36 3l5p n GLY 50 Ca -0.13 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.60 3l5p n GLY 50 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3l5p n GLY 51 N -1.08 0.57 3.49 -0.02 0.00 -1.26 -5.03 105.19 101.86 3l5p n GLY 51 Ca -0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.54 3l5p n GLY 51 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3l5p s SER 52 N -2.13 4.02 -0.17 1.61 0.15 -0.93 -5.03 113.70 111.23 3l5p s SER 52 Ca 0.00 -0.32 0.16 0.00 0.70 0.00 0.00 55.95 56.49 3l5p s SER 52 Cb 0.00 -0.76 0.74 0.00 -1.71 0.00 0.00 66.02 64.29 3l5p s SER 52 CO 0.00 0.28 1.66 -1.54 1.20 0.00 0.00 173.24 174.84 3l5p n SER 53 N 1.70 5.06 -4.63 5.45 3.41 -1.26 -1.33 113.62 122.02 3l5p n SER 53 Ca -0.16 -2.68 -0.30 0.00 -0.26 0.00 0.00 58.87 55.46 3l5p n SER 53 Cb 0.52 -0.61 0.18 0.00 -0.26 0.00 0.00 64.21 64.04 3l5p n SER 53 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 3l5p s GLU 54 N -2.29 0.53 0.24 4.33 0.41 -1.26 -4.87 118.70 115.79 3l5p s GLU 54 Ca 0.51 1.19 -0.31 0.00 -0.41 0.00 0.00 54.97 55.96 3l5p s GLU 54 Cb 0.36 -1.70 -0.14 0.00 -1.78 0.00 0.00 34.13 30.88 3l5p s GLU 54 CO 0.20 -2.85 1.27 -2.30 -0.49 0.00 0.00 175.26 171.09 3l5p n PRO 55 N -4.35 1.73 -3.98 0.39 -0.02 -1.26 -4.81 135.00 122.70 3l5p n PRO 55 Ca 0.08 0.62 -0.09 0.00 -2.02 0.00 0.00 63.50 62.09 3l5p n PRO 55 Cb 0.53 -2.18 -0.04 0.00 -0.02 0.00 0.00 33.50 31.79 3l5p n PRO 55 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3l5p s ALA 57 N -3.88 -0.47 -0.19 0.00 0.00 -0.60 -3.50 121.76 113.12 3l5p s ALA 57 Ca 0.21 0.58 -0.01 0.00 0.00 0.00 0.00 51.96 52.74 3l5p s ALA 57 Cb -0.02 -0.34 0.00 0.00 0.00 0.00 0.00 23.12 22.77 3l5p s ALA 57 CO 0.10 -0.10 -0.12 -0.51 0.00 0.00 0.00 175.76 175.12 3l5p s LEU 58 N 0.22 2.54 0.18 0.00 1.43 0.08 -1.89 118.68 121.25 3l5p s LEU 58 Ca -0.01 -0.49 0.07 0.00 -1.03 0.00 0.00 54.13 52.67 3l5p s LEU 58 Cb -0.02 -1.61 -0.04 0.00 0.03 0.00 0.00 46.19 44.54 3l5p s LEU 58 CO -0.01 0.02 -0.14 0.00 0.23 0.00 0.00 176.35 176.45 3l5p s SER 60 N -3.15 0.83 -0.16 0.00 0.01 -0.64 -0.68 113.70 109.90 3l5p s SER 60 Ca 0.20 -0.20 0.00 0.00 1.31 0.00 0.00 55.95 57.26 3l5p s SER 60 Cb -0.01 -0.07 0.03 0.00 0.21 0.00 0.00 66.02 66.18 3l5p s SER 60 CO 0.05 0.04 -0.13 -0.22 0.41 0.00 0.00 173.24 173.39 3l5p s LEU 61 N -0.40 1.82 -0.15 2.44 2.96 -0.15 -1.26 118.68 123.94 3l5p s LEU 61 Ca 0.01 -0.58 -0.04 0.00 -0.22 0.00 0.00 54.13 53.30 3l5p s LEU 61 Cb -0.04 -1.20 -0.03 0.00 0.50 0.00 0.00 46.19 45.42 3l5p s LEU 61 CO -0.00 -0.07 -0.01 -1.00 -1.32 0.00 0.00 176.35 173.95 3l5p s HIS 62 N 1.46 3.10 -0.03 5.38 3.76 -0.11 -1.00 115.29 127.85 3l5p s HIS 62 Ca 0.04 -0.12 -0.11 0.00 -0.15 0.00 0.00 55.06 54.71 3l5p s HIS 62 Cb -0.14 -1.96 0.02 0.00 1.11 0.00 0.00 32.58 31.61 3l5p s HIS 62 CO -0.10 0.09 0.24 0.45 -0.85 0.00 0.00 174.74 174.57 3l5p s SER 63 N 0.17 -0.15 -0.70 1.40 0.15 -0.75 -0.82 113.70 113.00 3l5p s SER 63 Ca 0.00 0.13 -0.25 0.00 0.70 0.00 0.00 55.95 56.53 3l5p s SER 63 Cb -0.13 0.35 0.05 0.00 -1.71 0.00 0.00 66.02 64.58 3l5p s SER 63 CO 0.02 -0.31 1.12 -0.63 1.20 0.00 0.00 173.24 174.64 3l5p s ILE 64 N -0.90 4.03 0.04 6.45 1.01 -1.26 -0.83 121.20 129.74 3l5p s ILE 64 Ca -0.10 0.03 0.00 0.00 0.00 0.00 0.00 60.65 60.58 3l5p s ILE 64 Cb -0.05 -4.80 0.00 0.00 0.01 0.00 0.00 42.46 37.62 3l5p s ILE 64 CO 0.02 -1.65 0.00 0.61 0.00 0.00 0.00 174.94 173.92 3l5p n GLY 65 N 5.35 -2.19 2.38 6.18 0.00 -1.26 -4.94 105.19 110.71 3l5p n GLY 65 Ca -0.00 -1.47 -0.16 0.00 0.00 0.00 0.00 46.02 44.38 3l5p n GLY 65 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3l5p n LYS 66 N -1.32 -1.22 -5.10 1.61 4.76 -1.26 -4.92 118.16 110.69 3l5p n LYS 66 Ca 0.00 0.92 -0.30 0.00 -2.87 0.00 0.00 58.31 56.06 3l5p n LYS 66 Cb 0.08 -5.23 -0.17 0.00 -1.84 0.00 0.00 35.03 27.88 3l5p n LYS 66 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3l5p s ILE 67 N -2.72 1.87 0.00 -0.18 -1.09 -1.26 -4.84 121.20 112.98 3l5p s ILE 67 Ca 0.00 -0.92 0.00 0.00 -2.23 0.00 0.00 60.65 57.50 3l5p s ILE 67 Cb 0.00 -1.62 0.00 0.00 -1.58 0.00 0.00 42.46 39.26 3l5p s ILE 67 CO 0.00 0.52 0.00 0.61 -1.23 0.00 0.00 174.94 174.84 3l5p n GLY 68 N 3.48 0.16 0.21 6.18 0.00 -1.26 -4.99 105.19 108.97 3l5p n GLY 68 Ca -0.19 -0.99 -0.07 0.00 0.00 0.00 0.00 46.02 44.77 3l5p n GLY 68 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3l5p h GLY 69 N 0.00 -1.39 1.27 -0.02 0.00 -1.99 0.29 103.07 101.24 3l5p h GLY 69 Ca 0.00 0.70 -0.16 0.00 0.00 0.00 0.00 47.33 47.86 3l5p h GLY 69 CO 0.00 -0.43 -0.46 0.00 0.00 0.00 0.00 176.54 175.65 3l5p h ALA 70 N -0.89 0.62 -0.76 3.60 0.00 -2.00 -2.63 119.26 117.22 3l5p h ALA 70 Ca 0.02 -0.48 -0.04 0.00 0.00 0.00 0.00 54.91 54.41 3l5p h ALA 70 Cb 0.30 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 3l5p h ALA 70 CO -0.21 0.68 0.33 1.96 0.00 0.00 0.00 179.25 182.01 3l5p h GLN 71 N 0.62 1.11 -0.19 0.00 4.20 -1.89 -1.94 115.11 117.02 3l5p h GLN 71 Ca 0.03 -0.18 -0.12 0.00 0.06 0.00 0.00 58.65 58.44 3l5p h GLN 71 Cb 1.04 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 28.61 3l5p h GLN 71 CO 0.10 0.88 -0.39 -0.91 -0.67 0.00 0.00 178.83 177.85 3l5p h ASN 72 N 1.08 0.45 -0.21 1.46 2.35 -0.29 -0.10 115.58 120.31 3l5p h ASN 72 Ca 0.26 -0.19 -0.08 0.00 -0.55 0.00 0.00 56.30 55.74 3l5p h ASN 72 Cb 0.17 -0.13 -0.02 0.00 0.05 0.00 0.00 38.32 38.39 3l5p h ASN 72 CO -0.03 0.80 -0.12 0.03 -1.65 0.00 0.00 177.43 176.46 3l5p h ARG 73 N 0.36 0.59 -0.27 0.81 3.08 -1.21 -0.63 114.38 117.11 3l5p h ARG 73 Ca 0.04 -0.18 -0.10 0.00 0.07 0.00 0.00 59.98 59.81 3l5p h ARG 73 Cb 0.84 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.83 3l5p h ARG 73 CO 0.07 0.70 -0.22 1.03 -1.07 0.00 0.00 179.97 180.48 3l5p h SER 74 N 0.55 0.66 -1.00 7.04 0.87 -0.79 -2.20 113.55 118.68 3l5p h SER 74 Ca 0.10 -0.45 0.01 0.00 -1.23 0.00 0.00 61.79 60.22 3l5p h SER 74 Cb 0.53 -0.18 -0.05 0.00 -0.44 0.00 0.00 62.40 62.25 3l5p h SER 74 CO 0.03 0.97 0.66 1.88 -0.53 0.00 0.00 176.83 179.85 3l5p h TYR 75 N 0.35 1.25 -0.57 2.24 0.05 -0.87 -1.84 116.97 117.58 3l5p h TYR 75 Ca 0.05 0.03 -0.08 0.00 0.05 0.00 0.00 58.73 58.78 3l5p h TYR 75 Cb 0.77 -0.42 -0.02 0.00 1.01 0.00 0.00 36.73 38.06 3l5p h TYR 75 CO 0.07 0.78 0.05 0.77 -1.05 0.00 0.00 178.16 178.78 3l5p h SER 76 N 1.34 0.95 -0.55 3.88 0.02 -0.96 0.79 113.55 119.01 3l5p h SER 76 Ca 0.37 -0.28 -0.05 0.00 -0.84 0.00 0.00 61.79 60.99 3l5p h SER 76 Cb -0.14 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.13 3l5p h SER 76 CO -0.08 0.99 0.16 0.50 -1.14 0.00 0.00 176.83 177.26 3l5p h LYS 77 N 0.87 0.87 0.04 3.45 3.64 -1.12 0.15 116.57 124.47 3l5p h LYS 77 Ca 0.17 -0.20 -0.00 0.00 -1.27 0.00 0.00 60.65 59.35 3l5p h LYS 77 Cb 0.48 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.18 3l5p h LYS 77 CO 0.02 0.80 -0.02 1.25 -2.27 0.00 0.00 179.45 179.23 3l5p h LEU 78 N 0.77 -0.04 -0.04 5.20 5.85 -1.10 -1.95 115.31 123.99 3l5p h LEU 78 Ca 0.18 -0.18 -0.25 0.00 0.84 0.00 0.00 57.88 58.47 3l5p h LEU 78 Cb 0.30 0.01 0.02 0.00 0.37 0.00 0.00 40.66 41.36 3l5p h LEU 78 CO -0.00 0.15 -0.94 -0.07 -0.34 0.00 0.00 178.44 177.24 3l5p h LEU 79 N -0.24 0.90 -1.19 2.25 3.38 -0.76 -1.67 115.31 117.98 3l5p h LEU 79 Ca -0.01 -0.71 -0.04 0.00 0.09 0.00 0.00 57.88 57.22 3l5p h LEU 79 Cb 0.22 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 3l5p h LEU 79 CO 0.01 1.48 0.13 0.00 0.09 0.00 0.00 178.44 180.15 3l5p h GLY 81 N 0.88 0.96 1.16 0.00 0.00 -1.09 -0.17 103.07 104.81 3l5p h GLY 81 Ca 0.16 -0.53 -0.15 0.00 0.00 0.00 0.00 47.33 46.81 3l5p h GLY 81 CO -0.01 0.50 -0.33 1.41 0.00 0.00 0.00 176.54 178.11 3l5p h LEU 82 N 0.83 0.98 -0.95 3.11 3.38 -0.85 -0.80 115.31 121.01 3l5p h LEU 82 Ca 0.20 -0.42 -0.09 0.00 0.09 0.00 0.00 57.88 57.66 3l5p h LEU 82 Cb 0.21 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 3l5p h LEU 82 CO -0.02 1.21 -0.22 -0.07 0.09 0.00 0.00 178.44 179.44 3l5p h LEU 83 N 0.78 0.51 -0.08 1.67 3.38 -0.93 0.38 115.31 121.01 3l5p h LEU 83 Ca 0.08 -0.16 -0.04 0.00 0.09 0.00 0.00 57.88 57.84 3l5p h LEU 83 Cb 0.91 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.53 3l5p h LEU 83 CO 0.08 0.73 -0.12 0.00 0.09 0.00 0.00 178.44 179.23 3l5p h ALA 84 N 1.31 0.12 -0.27 1.53 0.00 -0.90 -1.73 119.26 119.32 3l5p h ALA 84 Ca 0.07 -0.32 -0.09 0.00 0.00 0.00 0.00 54.91 54.57 3l5p h ALA 84 Cb 0.63 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 3l5p h ALA 84 CO 0.05 -0.01 -0.18 1.49 0.00 0.00 0.00 179.25 180.59 3l5p h GLU 85 N -0.24 0.60 0.09 0.00 4.81 -1.04 -1.76 114.58 117.04 3l5p h GLU 85 Ca 0.01 -0.28 -0.35 0.00 -0.13 0.00 0.00 59.36 58.60 3l5p h GLU 85 Cb 0.67 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.01 3l5p h GLU 85 CO 0.03 0.87 -2.00 0.54 -0.73 0.00 0.00 179.01 177.72 3l5p n ARG 86 N -4.39 0.72 0.00 1.92 5.12 0.11 -4.41 116.66 115.73 3l5p n ARG 86 Ca -0.04 0.25 0.05 0.00 -1.93 0.00 0.00 57.85 56.18 3l5p n ARG 86 Cb 0.40 -1.70 0.03 0.00 -1.16 0.00 0.00 32.46 30.02 3l5p n ARG 86 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 3l5p n LEU 87 N -3.36 1.56 -3.63 0.55 4.77 -0.73 -4.62 117.00 111.54 3l5p n LEU 87 Ca -0.30 -0.92 -0.24 0.00 -0.03 0.00 0.00 56.01 54.52 3l5p n LEU 87 Cb 1.05 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 42.21 3l5p n LEU 87 CO 0.42 0.31 0.21 0.54 -1.33 0.00 0.00 177.39 177.54 3l5p n ARG 88 N 0.25 -7.47 -3.84 3.23 1.74 -0.66 -4.95 116.66 104.96 3l5p n ARG 88 Ca 0.05 0.79 -0.35 0.00 -0.77 0.00 0.00 57.85 57.57 3l5p n ARG 88 Cb 0.22 -5.82 -0.09 0.00 -1.02 0.00 0.00 32.46 25.75 3l5p n ARG 88 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3l5p s ILE 89 N -3.33 5.14 0.23 0.55 1.01 -0.90 -4.92 121.20 118.98 3l5p s ILE 89 Ca 0.54 0.09 -0.30 0.00 0.00 0.00 0.00 60.65 60.98 3l5p s ILE 89 Cb -0.24 -3.34 -0.10 0.00 0.01 0.00 0.00 42.46 38.79 3l5p s ILE 89 CO 0.75 0.44 1.44 -0.55 0.00 0.00 0.00 174.94 177.02 3l5p s SER 90 N 0.41 6.67 0.51 3.58 0.15 -1.26 -3.38 113.70 120.39 3l5p s SER 90 Ca 0.06 2.63 0.23 0.00 0.70 0.00 0.00 55.95 59.56 3l5p s SER 90 Cb -0.12 -2.62 1.32 0.00 -1.71 0.00 0.00 66.02 62.90 3l5p s SER 90 CO -0.01 -0.70 2.00 -0.65 1.20 0.00 0.00 173.24 175.09 3l5p h PRO 91 N 5.29 0.07 -0.07 5.44 0.11 -1.97 0.08 132.00 140.96 3l5p h PRO 91 Ca -0.45 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3l5p h PRO 91 Cb 1.22 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3l5p h PRO 91 CO 0.79 0.05 0.00 -0.40 -0.21 0.00 0.00 178.00 178.23 3l5p n ASP 92 N -4.41 0.49 -0.94 -2.05 5.68 -1.26 -2.53 116.55 111.53 3l5p n ASP 92 Ca 0.09 -1.73 -0.01 0.00 -0.50 0.00 0.00 54.79 52.63 3l5p n ASP 92 Cb 0.53 -0.05 0.17 0.00 -1.14 0.00 0.00 41.12 40.63 3l5p n ASP 92 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 3l5p n ARG 93 N -0.36 2.01 -4.81 0.11 1.74 0.02 -5.00 116.66 110.38 3l5p n ARG 93 Ca 0.09 -3.47 -0.27 0.00 -0.77 0.00 0.00 57.85 53.43 3l5p n ARG 93 Cb 0.11 -1.77 -0.17 0.00 -1.02 0.00 0.00 32.46 29.61 3l5p n ARG 93 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3l5p s VAL 94 N -3.52 1.46 -0.09 1.55 1.01 -1.05 -1.56 120.40 118.21 3l5p s VAL 94 Ca 0.41 -0.67 0.01 0.00 0.00 0.00 0.00 61.98 61.73 3l5p s VAL 94 Cb 0.38 -1.30 -0.02 0.00 0.00 0.00 0.00 36.38 35.44 3l5p s VAL 94 CO -0.04 0.43 -0.12 -0.31 0.00 0.00 0.00 175.10 175.06 3l5p s TYR 95 N 0.53 2.81 -0.18 5.22 2.02 -0.79 -5.00 117.35 121.97 3l5p s TYR 95 Ca -0.16 -0.29 0.01 0.00 -0.37 0.00 0.00 57.07 56.26 3l5p s TYR 95 Cb -0.16 -1.74 0.03 0.00 -0.40 0.00 0.00 41.96 39.69 3l5p s TYR 95 CO 0.06 0.07 -0.13 0.42 -1.57 0.00 0.00 175.55 174.40 3l5p s ILE 96 N -0.31 1.65 -0.18 2.71 1.01 -1.26 -0.35 121.20 124.47 3l5p s ILE 96 Ca 0.03 -0.85 -0.22 0.00 0.00 0.00 0.00 60.65 59.61 3l5p s ILE 96 Cb -0.13 -1.63 -0.02 0.00 0.01 0.00 0.00 42.46 40.69 3l5p s ILE 96 CO 0.03 0.31 0.67 0.20 0.00 0.00 0.00 174.94 176.15 3l5p s ASN 97 N 1.42 6.76 -0.15 3.58 0.01 0.14 -4.94 114.94 121.76 3l5p s ASN 97 Ca 0.02 0.92 -0.08 0.00 -0.71 0.00 0.00 52.86 53.01 3l5p s ASN 97 Cb -0.15 -2.37 -0.04 0.00 0.41 0.00 0.00 41.25 39.10 3l5p s ASN 97 CO -0.10 -0.28 0.13 -0.31 -1.51 0.00 0.00 177.10 175.03 3l5p s TYR 98 N 1.85 3.49 -0.12 2.20 2.02 -1.26 -0.98 117.35 124.55 3l5p s TYR 98 Ca 0.31 0.41 0.00 0.00 -0.37 0.00 0.00 57.07 57.43 3l5p s TYR 98 Cb -0.16 -2.03 0.02 0.00 -0.40 0.00 0.00 41.96 39.39 3l5p s TYR 98 CO 0.11 0.52 -0.11 0.71 -1.57 0.00 0.00 175.55 175.21 3l5p s TYR 99 N -0.41 1.77 -0.63 2.71 2.02 -0.17 -4.97 117.35 117.67 3l5p s TYR 99 Ca 0.11 -0.90 -0.21 0.00 -0.37 0.00 0.00 57.07 55.71 3l5p s TYR 99 Cb -0.12 -1.36 0.08 0.00 -0.40 0.00 0.00 41.96 40.17 3l5p s TYR 99 CO 0.01 -0.53 0.86 0.34 -1.57 0.00 0.00 175.55 174.67 3l5p s ASP 100 N 1.40 6.18 0.16 2.29 -1.08 -1.26 -1.82 116.67 122.55 3l5p s ASP 100 Ca 0.01 -1.13 -0.27 0.00 -0.52 0.00 0.00 52.55 50.64 3l5p s ASP 100 Cb -0.13 -2.37 -0.08 0.00 -1.46 0.00 0.00 42.92 38.87 3l5p s ASP 100 CO -0.07 -1.31 0.82 -0.04 0.52 0.00 0.00 175.17 175.10 3l5p s MET 101 N 3.54 4.63 0.29 4.34 -1.94 -0.01 -4.90 119.30 125.25 3l5p s MET 101 Ca 0.18 1.24 -0.28 0.00 -1.71 0.00 0.00 55.69 55.12 3l5p s MET 101 Cb -0.19 -3.28 -0.09 0.00 2.01 0.00 0.00 34.83 33.27 3l5p s MET 101 CO 0.09 0.51 1.00 1.21 -0.01 0.00 0.00 175.02 177.81 3l5p s ASN 102 N -0.96 7.38 0.46 3.03 2.47 -1.26 -4.12 114.94 121.95 3l5p s ASN 102 Ca 0.38 2.02 0.18 0.00 0.42 0.00 0.00 52.86 55.86 3l5p s ASN 102 Cb -0.23 -2.61 1.15 0.00 -1.45 0.00 0.00 41.25 38.11 3l5p s ASN 102 CO 0.27 -0.04 1.97 0.00 -3.72 0.00 0.00 177.10 175.58 3l5p h ALA 103 N 3.68 2.19 0.00 1.71 0.00 -1.95 0.25 119.26 125.14 3l5p h ALA 103 Ca -0.46 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.44 3l5p h ALA 103 Cb 1.20 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.96 3l5p h ALA 103 CO 0.66 -0.35 0.00 0.00 0.00 0.00 0.00 179.25 179.56 3l5p h ALA 104 N 1.70 1.00 -0.43 0.00 0.00 -1.92 -2.81 119.26 116.79 3l5p h ALA 104 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.21 3l5p h ALA 104 Cb 0.77 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.56 3l5p h ALA 104 CO -0.07 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.27 3l5p n ASN 105 N -2.63 4.72 -3.96 0.00 5.03 0.86 -4.85 115.26 114.43 3l5p n ASN 105 Ca 0.02 -2.89 -0.29 0.00 0.87 0.00 0.00 54.58 52.29 3l5p n ASN 105 Cb 0.30 -0.59 -0.16 0.00 -1.02 0.00 0.00 39.78 38.30 3l5p n ASN 105 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 3l5p s VAL 106 N -2.64 1.39 0.23 2.41 1.01 -1.16 -4.88 120.40 116.77 3l5p s VAL 106 Ca 0.48 -0.72 -0.12 0.00 0.00 0.00 0.00 61.98 61.61 3l5p s VAL 106 Cb 0.36 -1.45 -0.08 0.00 0.00 0.00 0.00 36.38 35.22 3l5p s VAL 106 CO 0.14 0.25 0.60 -0.83 0.00 0.00 0.00 175.10 175.25 3l5p s GLY 107 N 1.53 2.34 -0.28 4.51 0.00 -1.26 -2.46 107.32 111.69 3l5p s GLY 107 Ca 0.01 -0.16 -0.23 0.00 0.00 0.00 0.00 44.72 44.35 3l5p s GLY 107 CO -0.09 0.03 1.05 0.86 0.00 0.00 0.00 173.10 174.95 3l5p s TRP 108 N -1.77 -0.47 -1.31 1.90 -0.00 0.16 -4.95 118.94 112.49 3l5p s TRP 108 Ca 0.47 1.09 -0.02 0.00 -0.00 0.00 0.00 56.10 57.64 3l5p s TRP 108 Cb -0.12 0.37 -0.00 0.00 -0.00 0.00 0.00 33.47 33.72 3l5p s TRP 108 CO 0.20 -0.23 0.64 -1.71 -0.00 0.00 0.00 176.95 175.85 3l5p n ASN 109 N 2.50 -1.48 0.00 5.86 4.05 -1.26 -1.72 115.26 123.21 3l5p n ASN 109 Ca -0.14 -0.88 0.00 0.00 0.45 0.00 0.00 54.58 54.01 3l5p n ASN 109 Cb 0.56 -3.77 0.00 0.00 1.23 0.00 0.00 39.78 37.80 3l5p n ASN 109 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 177.26 174.80 3l5p n ASN 110 N -3.01 -0.07 0.00 1.20 3.02 -1.26 -4.89 115.26 110.26 3l5p n ASN 110 Ca -0.28 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.27 3l5p n ASN 110 Cb 0.67 -0.65 0.00 0.00 -0.61 0.00 0.00 39.78 39.19 3l5p n ASN 110 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 3l5p n SER 111 N -0.00 0.00 -2.11 6.41 2.88 -0.70 -5.19 113.62 114.90 3l5p n SER 111 Ca 0.00 0.00 -0.06 0.00 -1.33 0.00 0.00 58.87 57.48 3l5p n SER 111 Cb 0.00 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.45 3l5p n SER 111 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 3l5p n THR 112 N 0.00 0.00 0.82 2.46 -2.24 -1.26 -0.67 114.28 113.39 3l5p n THR 112 Ca 0.00 -0.53 0.10 0.00 -2.27 0.00 0.00 64.05 61.35 3l5p n THR 112 Cb 0.00 0.17 0.29 0.00 -2.10 0.00 0.00 70.33 68.69 3l5p n THR 112 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 3l5p n PHE 113 N -0.22 0.39 -3.21 4.78 3.72 -1.03 -4.63 117.46 117.27 3l5p n PHE 113 Ca -0.02 -0.20 -0.46 0.00 -0.05 0.00 0.00 57.45 56.73 3l5p n PHE 113 Cb 0.14 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 38.64 3l5p n PHE 113 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3l5p s ALA 114 N -1.61 3.67 -0.73 4.37 0.00 -1.17 -4.76 121.76 121.53 3l5p s ALA 114 Ca 0.33 -2.70 0.08 0.00 0.00 0.00 0.00 51.96 49.67 3l5p s ALA 114 Cb 0.18 -3.51 0.19 0.00 0.00 0.00 0.00 23.12 19.98 3l5p s ALA 114 CO 0.26 -2.31 1.10 1.28 0.00 0.00 0.00 175.76 176.09 3l5p n LEU 115 N 5.36 2.47 -0.04 0.00 4.77 -1.26 -4.69 117.00 123.61 3l5p n LEU 115 Ca -0.00 -1.81 -0.07 0.00 -0.03 0.00 0.00 56.01 54.10 3l5p n LEU 115 Cb 0.44 -0.13 -0.14 0.00 -2.33 0.00 0.00 43.42 41.26 3l5p n LEU 115 CO 0.49 0.60 -0.73 -0.62 -1.33 0.00 0.00 177.39 175.80 3l5p n GLU 116 N 0.27 0.65 0.00 3.23 4.71 -1.26 -5.22 120.64 123.02 3l5p n GLU 116 Ca 0.08 0.15 0.00 0.00 -0.01 0.00 0.00 57.16 57.38 3l5p n GLU 116 Cb 0.34 -1.68 0.00 0.00 -1.01 0.00 0.00 31.44 29.09 3l5p n GLU 116 CO 0.00 0.00 0.00 0.72 0.09 0.00 0.00 177.13 177.94