#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b1j n ASP 2 N 0.00 4.98 0.00 2.61 9.92 -1.26 -4.38 116.55 128.42 1b1j n ASP 2 Ca 0.00 -2.42 0.00 0.00 -0.53 0.00 0.00 54.79 51.84 1b1j n ASP 2 Cb 0.00 -1.31 0.00 0.00 -0.64 0.00 0.00 41.12 39.17 1b1j n ASP 2 CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 1b1j n ASN 3 N 2.38 0.00 0.00 -2.24 5.15 -1.26 -4.95 115.26 114.34 1b1j n ASN 3 Ca 0.35 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.33 1b1j n ASN 3 Cb 0.82 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 40.07 1b1j n ASN 3 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 1b1j n SER 4 N 0.00 0.00 -0.35 1.20 7.64 -1.26 -2.01 113.62 118.84 1b1j n SER 4 Ca 0.00 0.00 0.02 0.00 1.01 0.00 0.00 58.87 59.90 1b1j n SER 4 Cb 0.00 0.00 0.09 0.00 -1.01 0.00 0.00 64.21 63.29 1b1j n SER 4 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 1b1j h ARG 5 N 0.00 -0.01 -0.50 1.43 3.08 -1.94 1.51 114.38 117.95 1b1j h ARG 5 Ca 0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 1b1j h ARG 5 Cb 0.00 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.03 1b1j h ARG 5 CO 0.00 -0.01 0.29 -0.92 -1.07 0.00 0.00 179.97 178.26 1b1j h TYR 6 N -0.01 0.68 -0.18 3.04 3.20 -1.57 0.26 116.97 122.38 1b1j h TYR 6 Ca 0.41 -0.01 -0.13 0.00 3.14 0.00 0.00 58.73 62.14 1b1j h TYR 6 Cb 0.65 -0.22 -0.01 0.00 1.54 0.00 0.00 36.73 38.69 1b1j h TYR 6 CO -0.78 0.49 -0.43 0.00 -1.64 0.00 0.00 178.16 175.80 1b1j h THR 7 N 0.67 1.31 -0.06 1.81 1.03 -0.65 -2.13 112.91 114.89 1b1j h THR 7 Ca 0.18 -1.60 -0.01 0.00 -0.01 0.00 0.00 66.41 64.96 1b1j h THR 7 Cb 0.02 1.64 -0.00 0.00 -1.07 0.00 0.00 68.15 68.74 1b1j h THR 7 CO -0.03 0.49 -0.01 -0.74 -0.01 0.00 0.00 175.52 175.22 1b1j h HIS 8 N 0.36 0.13 -0.65 0.00 -0.00 0.23 -2.76 115.15 112.46 1b1j h HIS 8 Ca 0.03 -0.03 0.13 0.00 -0.00 0.00 0.00 60.37 60.50 1b1j h HIS 8 Cb 0.91 -0.03 -0.10 0.00 -0.00 0.00 0.00 27.41 28.19 1b1j h HIS 8 CO 0.03 0.43 0.11 0.35 -0.00 0.00 0.00 177.93 178.86 1b1j h PHE 9 N -0.21 0.17 -0.27 5.26 3.57 -0.27 0.90 116.94 126.09 1b1j h PHE 9 Ca 0.02 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.56 1b1j h PHE 9 Cb 0.39 0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.14 1b1j h PHE 9 CO 0.05 -0.08 0.17 -0.07 -2.23 0.00 0.00 178.31 176.15 1b1j h LEU 10 N 0.23 0.32 -1.28 0.59 3.38 -1.33 0.30 115.31 117.51 1b1j h LEU 10 Ca 0.35 -0.02 0.05 0.00 0.09 0.00 0.00 57.88 58.35 1b1j h LEU 10 Cb 0.56 -0.08 -0.05 0.00 0.09 0.00 0.00 40.66 41.18 1b1j h LEU 10 CO -0.47 0.25 0.51 0.74 0.09 0.00 0.00 178.44 179.56 1b1j h THR 11 N 0.36 1.07 0.03 0.22 2.02 -0.99 -1.47 112.91 114.15 1b1j h THR 11 Ca 0.10 -0.31 -0.00 0.00 0.77 0.00 0.00 66.41 66.97 1b1j h THR 11 Cb -0.02 0.10 0.00 0.00 -1.74 0.00 0.00 68.15 66.49 1b1j h THR 11 CO -0.02 0.16 -0.02 -0.61 0.37 0.00 0.00 175.52 175.41 1b1j h GLN 12 N 0.89 -0.04 -0.01 6.66 4.15 0.10 -3.42 115.11 123.44 1b1j h GLN 12 Ca 0.33 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.75 1b1j h GLN 12 Cb 0.16 0.01 0.00 0.00 0.21 0.00 0.00 27.48 27.86 1b1j h GLN 12 CO -0.11 0.49 -0.20 0.00 -1.93 0.00 0.00 178.83 177.08 1b1j n ALA 13 N -2.66 2.83 -2.71 3.38 0.00 0.96 -4.90 120.51 117.41 1b1j n ALA 13 Ca -0.06 -0.46 -0.37 0.00 0.00 0.00 0.00 53.44 52.56 1b1j n ALA 13 Cb 0.27 -0.37 -0.07 0.00 0.00 0.00 0.00 19.45 19.27 1b1j n ALA 13 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 1b1j s TYR 14 N -1.37 3.51 -0.34 0.00 5.04 -0.56 0.03 117.35 123.66 1b1j s TYR 14 Ca 0.09 0.63 0.03 0.00 -2.44 0.00 0.00 57.07 55.39 1b1j s TYR 14 Cb 0.09 -2.28 0.16 0.00 0.35 0.00 0.00 41.96 40.28 1b1j s TYR 14 CO 0.26 0.36 0.43 0.34 -1.34 0.00 0.00 175.55 175.60 1b1j s ASP 15 N 0.05 0.43 0.12 4.32 2.15 -1.03 -4.84 116.67 117.88 1b1j s ASP 15 Ca 0.17 -0.96 -0.26 0.00 0.43 0.00 0.00 52.55 51.93 1b1j s ASP 15 Cb -0.13 1.00 -0.05 0.00 -0.30 0.00 0.00 42.92 43.44 1b1j s ASP 15 CO 0.05 -0.29 1.63 0.00 -0.17 0.00 0.00 175.17 176.39 1b1j h ALA 16 N 7.52 -0.40 -3.19 3.66 0.00 -1.83 -3.36 119.26 121.66 1b1j h ALA 16 Ca -0.01 -0.01 -0.63 0.00 0.00 0.00 0.00 54.91 54.26 1b1j h ALA 16 Cb 1.10 0.50 -0.41 0.00 0.00 0.00 0.00 17.79 18.98 1b1j h ALA 16 CO 0.21 -0.79 -0.64 0.15 0.00 0.00 0.00 179.25 178.18 1b1j s LYS 17 N -6.04 1.98 0.10 0.00 1.02 -1.26 -3.05 119.74 112.49 1b1j s LYS 17 Ca -0.15 -2.73 -0.30 0.00 0.02 0.00 0.00 55.97 52.80 1b1j s LYS 17 Cb 0.09 -3.12 -0.06 0.00 -0.52 0.00 0.00 37.83 34.22 1b1j s LYS 17 CO 0.66 -1.18 1.21 -1.25 -0.92 0.00 0.00 175.35 173.86 1b1j s PRO 18 N -0.54 4.45 -0.01 -1.68 0.04 -1.26 -4.99 135.00 131.02 1b1j s PRO 18 Ca 0.20 1.81 -0.01 0.00 0.04 0.00 0.00 61.00 63.04 1b1j s PRO 18 Cb -0.18 -3.31 -0.01 0.00 0.04 0.00 0.00 34.50 31.04 1b1j s PRO 18 CO -0.06 -0.22 0.28 0.37 0.04 0.00 0.00 177.00 177.42 1b1j h GLN 19 N 6.39 -0.04 -6.15 4.56 -0.00 -1.99 -3.45 115.11 114.43 1b1j h GLN 19 Ca -0.42 0.00 -0.51 0.00 -0.00 0.00 0.00 58.65 57.72 1b1j h GLN 19 Cb 1.21 0.01 -0.03 0.00 0.00 0.00 0.00 27.48 28.67 1b1j h GLN 19 CO 0.80 -0.03 -0.47 0.20 0.00 0.00 0.00 178.83 179.33 1b1j s GLY 20 N -1.90 1.46 -0.33 2.39 0.00 -1.26 -5.00 107.32 102.69 1b1j s GLY 20 Ca -0.01 -1.20 0.09 0.00 0.00 0.00 0.00 44.72 43.61 1b1j s GLY 20 CO 0.02 -1.21 1.14 0.54 0.00 0.00 0.00 173.10 173.59 1b1j n ARG 21 N -0.97 3.17 -2.45 2.90 1.74 -1.26 -4.74 116.66 115.05 1b1j n ARG 21 Ca -0.08 -4.11 -0.08 0.00 -0.77 0.00 0.00 57.85 52.80 1b1j n ARG 21 Cb 0.56 -2.12 -0.01 0.00 -1.02 0.00 0.00 32.46 29.87 1b1j n ARG 21 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 1b1j n ASP 22 N -0.60 1.93 -0.13 0.55 5.75 -1.26 -4.66 116.55 118.13 1b1j n ASP 22 Ca 0.36 -1.59 -0.05 0.00 -0.01 0.00 0.00 54.79 53.50 1b1j n ASP 22 Cb 0.86 0.04 0.03 0.00 -1.03 0.00 0.00 41.12 41.03 1b1j n ASP 22 CO 0.00 0.00 0.00 0.44 -0.11 0.00 0.00 177.20 177.53 1b1j h ASP 23 N 0.26 0.10 -0.56 -1.12 5.19 -1.87 -0.02 116.42 118.40 1b1j h ASP 23 Ca -0.11 0.05 0.06 0.00 -0.62 0.00 0.00 57.03 56.41 1b1j h ASP 23 Cb 0.36 0.05 -0.05 0.00 0.18 0.00 0.00 39.33 39.88 1b1j h ASP 23 CO 0.18 0.09 0.28 0.03 -3.12 0.00 0.00 179.24 176.70 1b1j h ARG 24 N 0.27 0.51 -0.42 3.56 3.08 -1.96 -0.69 114.38 118.74 1b1j h ARG 24 Ca 0.19 -0.03 -0.04 0.00 0.07 0.00 0.00 59.98 60.17 1b1j h ARG 24 Cb 0.20 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.12 1b1j h ARG 24 CO -0.22 0.34 0.11 -0.92 -1.07 0.00 0.00 179.97 178.21 1b1j h TYR 25 N 0.53 0.69 -0.57 3.04 3.20 -1.72 -2.07 116.97 120.07 1b1j h TYR 25 Ca 0.25 -0.08 0.02 0.00 3.14 0.00 0.00 58.73 62.07 1b1j h TYR 25 Cb 0.18 -0.20 -0.04 0.00 1.54 0.00 0.00 36.73 38.22 1b1j h TYR 25 CO -0.11 0.65 0.35 0.00 -1.64 0.00 0.00 178.16 177.41 1b1j h GLU 27 N 0.69 0.17 -0.03 0.00 4.81 -1.09 -2.23 114.58 116.89 1b1j h GLU 27 Ca 0.23 -0.13 -0.17 0.00 -0.13 0.00 0.00 59.36 59.16 1b1j h GLU 27 Cb 0.02 0.02 0.01 0.00 0.63 0.00 0.00 28.75 29.43 1b1j h GLU 27 CO -0.10 0.75 -0.65 1.03 -0.73 0.00 0.00 179.01 179.31 1b1j h SER 28 N 0.12 0.62 -0.17 1.04 0.87 -1.06 -2.67 113.55 112.31 1b1j h SER 28 Ca -0.01 -0.72 -0.18 0.00 -1.23 0.00 0.00 61.79 59.65 1b1j h SER 28 Cb 1.15 -0.19 -0.00 0.00 -0.44 0.00 0.00 62.40 62.92 1b1j h SER 28 CO 0.09 1.26 -0.55 -0.29 -0.53 0.00 0.00 176.83 176.81 1b1j h ILE 29 N 0.04 1.29 0.35 2.23 2.10 -1.25 -1.92 117.51 120.35 1b1j h ILE 29 Ca -0.07 -1.76 -0.02 0.00 1.08 0.00 0.00 64.86 64.09 1b1j h ILE 29 Cb 1.33 1.69 0.00 0.00 -1.09 0.00 0.00 36.82 38.75 1b1j h ILE 29 CO 0.13 0.57 -0.17 0.24 -1.08 0.00 0.00 178.15 177.84 1b1j h MET 30 N 0.58 -0.45 -0.49 2.19 2.86 -1.48 0.21 114.93 118.35 1b1j h MET 30 Ca 0.01 0.03 0.06 0.00 -2.06 0.00 0.00 59.70 57.74 1b1j h MET 30 Cb 1.14 0.10 -0.05 0.00 0.06 0.00 0.00 31.60 32.85 1b1j h MET 30 CO 0.12 -0.27 0.21 -0.09 1.06 0.00 0.00 176.91 177.93 1b1j h ARG 31 N -0.51 0.40 -0.39 1.72 2.43 -1.52 -1.90 114.38 114.59 1b1j h ARG 31 Ca -0.05 -0.02 -0.07 0.00 -0.81 0.00 0.00 59.98 59.02 1b1j h ARG 31 Cb 0.39 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.83 1b1j h ARG 31 CO 0.08 0.26 -0.07 -0.09 -1.51 0.00 0.00 179.97 178.64 1b1j h ARG 32 N 0.41 0.67 -0.00 0.20 2.43 -1.05 -1.77 114.38 115.26 1b1j h ARG 32 Ca 0.23 -0.19 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 1b1j h ARG 32 Cb 0.20 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.67 1b1j h ARG 32 CO -0.20 0.73 -0.02 0.54 -1.51 0.00 0.00 179.97 179.51 1b1j n ARG 33 N -4.20 0.14 -1.62 0.20 3.00 0.72 -4.90 116.66 110.00 1b1j n ARG 33 Ca 0.02 -0.01 0.00 0.00 -0.01 0.00 0.00 57.85 57.85 1b1j n ARG 33 Cb 0.32 -1.50 0.00 0.00 0.00 0.00 0.00 32.46 31.28 1b1j n ARG 33 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1b1j n GLY 34 N 1.43 0.57 2.07 -0.13 0.00 -0.67 -4.97 105.19 103.50 1b1j n GLY 34 Ca 0.09 -0.80 -0.23 0.00 0.00 0.00 0.00 46.02 45.08 1b1j n GLY 34 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1b1j n LEU 35 N 0.00 6.60 -4.21 0.99 4.32 -0.75 -4.91 117.00 119.04 1b1j n LEU 35 Ca 0.00 -3.54 -0.12 0.00 -0.02 0.00 0.00 56.01 52.33 1b1j n LEU 35 Cb 0.37 -0.88 -0.10 0.00 -1.62 0.00 0.00 43.42 41.19 1b1j n LEU 35 CO 0.00 1.15 -0.40 0.42 -1.22 0.00 0.00 177.39 177.34 1b1j s THR 36 N -3.23 0.93 -0.64 -5.08 -4.23 -1.26 -1.78 115.64 100.34 1b1j s THR 36 Ca 0.49 -1.99 -0.02 0.00 -1.18 0.00 0.00 61.69 58.99 1b1j s THR 36 Cb 0.40 -1.76 -0.02 0.00 1.34 0.00 0.00 72.50 72.46 1b1j s THR 36 CO 0.04 -0.81 0.59 -0.24 -0.54 0.00 0.00 174.62 173.66 1b1j n SER 37 N -0.11 -6.06 -4.87 3.99 2.88 -1.26 -4.59 113.62 103.60 1b1j n SER 37 Ca -0.11 -0.23 -0.33 0.00 -1.33 0.00 0.00 58.87 56.88 1b1j n SER 37 Cb 0.61 -4.18 -0.05 0.00 -0.75 0.00 0.00 64.21 59.83 1b1j n SER 37 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1b1j s PRO 38 N -3.38 3.82 0.33 -1.46 0.04 -1.26 -5.13 135.00 127.96 1b1j s PRO 38 Ca 0.13 0.28 -0.29 0.00 0.04 0.00 0.00 61.00 61.16 1b1j s PRO 38 Cb -0.02 -2.71 -0.10 0.00 0.04 0.00 0.00 34.50 31.71 1b1j s PRO 38 CO 0.56 0.36 1.29 0.00 0.04 0.00 0.00 177.00 179.25 1b1j s LYS 40 N -1.75 4.21 0.52 0.00 -0.14 -0.73 -4.91 119.74 116.94 1b1j s LYS 40 Ca 0.49 2.38 0.31 0.00 -1.36 0.00 0.00 55.97 57.78 1b1j s LYS 40 Cb -0.39 -3.13 1.18 0.00 -1.68 0.00 0.00 37.83 33.81 1b1j s LYS 40 CO 0.52 -0.58 1.92 0.38 -0.76 0.00 0.00 175.35 176.82 1b1j h ASP 41 N 6.34 0.00 -4.74 2.83 2.03 -1.93 -3.40 116.42 117.55 1b1j h ASP 41 Ca -0.44 0.00 -0.08 0.00 -0.73 0.00 0.00 57.03 55.79 1b1j h ASP 41 Cb 1.21 0.00 -0.20 0.00 -0.83 0.00 0.00 39.33 39.51 1b1j h ASP 41 CO 0.88 0.03 0.03 -0.51 -1.03 0.00 0.00 179.24 178.65 1b1j s ILE 42 N -3.61 0.01 -0.29 4.15 2.07 -1.26 -0.19 121.20 122.09 1b1j s ILE 42 Ca 0.02 -0.11 -0.20 0.00 -1.41 0.00 0.00 60.65 58.94 1b1j s ILE 42 Cb 0.09 -0.87 0.13 0.00 0.13 0.00 0.00 42.46 41.94 1b1j s ILE 42 CO 0.57 -0.06 1.00 0.21 -1.91 0.00 0.00 174.94 174.75 1b1j s ASN 43 N -0.85 -0.49 0.00 4.50 2.47 -0.66 -5.01 114.94 114.90 1b1j s ASN 43 Ca -0.09 0.85 0.08 0.00 0.42 0.00 0.00 52.86 54.12 1b1j s ASN 43 Cb -0.02 1.05 -0.02 0.00 -1.45 0.00 0.00 41.25 40.81 1b1j s ASN 43 CO 0.06 -0.14 -0.26 -0.89 -3.72 0.00 0.00 177.10 172.16 1b1j s THR 44 N 0.86 2.11 -0.12 -5.21 2.01 -1.26 0.69 115.64 114.72 1b1j s THR 44 Ca -0.04 -1.20 0.01 0.00 0.31 0.00 0.00 61.69 60.78 1b1j s THR 44 Cb -0.04 -1.76 -0.01 0.00 0.01 0.00 0.00 72.50 70.69 1b1j s THR 44 CO -0.12 0.51 -0.16 -0.36 -0.69 0.00 0.00 174.62 173.80 1b1j s PHE 45 N -0.68 2.74 -0.07 4.92 0.08 -0.34 -4.59 117.98 120.03 1b1j s PHE 45 Ca 0.11 -0.72 -0.15 0.00 0.12 0.00 0.00 56.93 56.29 1b1j s PHE 45 Cb -0.10 -1.80 -0.05 0.00 -0.57 0.00 0.00 43.02 40.50 1b1j s PHE 45 CO 0.00 -0.24 0.38 0.42 -0.10 0.00 0.00 175.22 175.68 1b1j s ILE 46 N 0.29 5.16 0.18 0.64 1.01 0.10 -2.00 121.20 126.59 1b1j s ILE 46 Ca -0.12 0.76 0.05 0.00 0.00 0.00 0.00 60.65 61.34 1b1j s ILE 46 Cb -0.16 -3.70 -0.04 0.00 0.01 0.00 0.00 42.46 38.57 1b1j s ILE 46 CO 0.06 0.47 0.15 -1.00 0.00 0.00 0.00 174.94 174.63 1b1j s HIS 47 N -0.29 3.15 0.00 3.97 3.76 -0.47 -2.46 115.29 122.95 1b1j s HIS 47 Ca 0.22 -0.03 0.00 0.00 -0.15 0.00 0.00 55.06 55.10 1b1j s HIS 47 Cb -0.15 -1.49 0.00 0.00 1.11 0.00 0.00 32.58 32.05 1b1j s HIS 47 CO 0.10 0.52 0.00 0.41 -0.85 0.00 0.00 174.74 174.92 1b1j n GLY 48 N -0.53 0.24 3.71 -2.22 0.00 -1.17 -4.25 105.19 100.98 1b1j n GLY 48 Ca -0.08 -2.11 -0.41 0.00 0.00 0.00 0.00 46.02 43.42 1b1j n GLY 48 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1b1j s ASN 49 N -4.00 7.17 0.04 1.61 3.84 -1.26 -4.66 114.94 117.68 1b1j s ASN 49 Ca 0.00 1.42 -0.24 0.00 0.21 0.00 0.00 52.86 54.24 1b1j s ASN 49 Cb 0.00 -2.49 -0.17 0.00 -0.55 0.00 0.00 41.25 38.04 1b1j s ASN 49 CO 0.00 -0.18 1.54 0.11 -2.79 0.00 0.00 177.10 175.78 1b1j h LYS 50 N 6.75 -0.01 -0.94 0.43 1.57 -2.00 -3.12 116.57 119.25 1b1j h LYS 50 Ca -0.41 0.00 0.24 0.00 -1.87 0.00 0.00 60.65 58.61 1b1j h LYS 50 Cb 1.21 0.00 -0.13 0.00 0.08 0.00 0.00 32.23 33.39 1b1j h LYS 50 CO 0.75 0.20 0.47 -0.09 -0.57 0.00 0.00 179.45 180.21 1b1j h ARG 51 N -0.22 0.43 -0.07 3.15 9.65 -2.00 0.15 114.38 125.48 1b1j h ARG 51 Ca -0.00 -0.03 -0.10 0.00 -1.10 0.00 0.00 59.98 58.75 1b1j h ARG 51 Cb 0.21 -0.10 -0.01 0.00 -1.39 0.00 0.00 29.97 28.68 1b1j h ARG 51 CO 0.00 0.28 -0.41 0.77 2.80 0.00 0.00 179.97 183.41 1b1j h SER 52 N 0.44 0.15 -0.38 -3.80 0.02 -1.98 -2.42 113.55 105.58 1b1j h SER 52 Ca 0.60 -0.06 -0.11 0.00 -0.84 0.00 0.00 61.79 61.38 1b1j h SER 52 Cb 1.17 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 63.66 1b1j h SER 52 CO -0.52 0.55 -0.21 0.40 -1.14 0.00 0.00 176.83 175.91 1b1j h ILE 53 N 0.12 1.28 -0.02 3.27 2.04 -0.70 -3.03 117.51 120.47 1b1j h ILE 53 Ca 0.01 -1.35 -0.07 0.00 1.00 0.00 0.00 64.86 64.45 1b1j h ILE 53 Cb 0.78 1.32 -0.01 0.00 -0.74 0.00 0.00 36.82 38.18 1b1j h ILE 53 CO 0.06 0.45 -0.31 0.11 0.00 0.00 0.00 178.15 178.46 1b1j h LYS 54 N 0.62 0.04 0.00 2.37 6.56 -0.91 -2.80 116.57 122.46 1b1j h LYS 54 Ca 0.08 -0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.66 1b1j h LYS 54 Cb 0.77 -0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.42 1b1j h LYS 54 CO 0.06 0.35 0.00 0.00 -2.06 0.00 0.00 179.45 177.80 1b1j n ALA 55 N -2.48 1.70 0.24 3.86 0.00 -0.94 -2.32 120.51 120.57 1b1j n ALA 55 Ca -0.02 -0.01 0.07 0.00 0.00 0.00 0.00 53.44 53.48 1b1j n ALA 55 Cb 0.36 -1.30 0.57 0.00 0.00 0.00 0.00 19.45 19.08 1b1j n ALA 55 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1b1j h ILE 56 N 0.00 1.01 0.00 0.00 5.03 -1.54 -2.09 117.51 119.92 1b1j h ILE 56 Ca 0.00 -0.52 0.00 0.00 -0.12 0.00 0.00 64.86 64.22 1b1j h ILE 56 Cb 0.31 1.29 0.00 0.00 -3.03 0.00 0.00 36.82 35.39 1b1j h ILE 56 CO 0.00 0.14 0.00 0.00 -0.68 0.00 0.00 178.15 177.61 1b1j s GLU 58 N -2.61 1.81 -1.22 0.00 2.02 -0.82 -4.84 118.70 113.03 1b1j s GLU 58 Ca 0.19 -1.98 -0.16 0.00 0.02 0.00 0.00 54.97 53.05 1b1j s GLU 58 Cb 0.14 -1.48 0.13 0.00 0.10 0.00 0.00 34.13 33.02 1b1j s GLU 58 CO 0.33 0.01 1.53 -0.80 0.02 0.00 0.00 175.26 176.35 1b1j s ASN 59 N -3.60 6.94 0.00 -0.19 0.01 -1.26 -2.09 114.94 114.75 1b1j s ASN 59 Ca 0.33 -2.69 0.00 0.00 -0.71 0.00 0.00 52.86 49.80 1b1j s ASN 59 Cb 0.06 -2.47 0.00 0.00 0.41 0.00 0.00 41.25 39.25 1b1j s ASN 59 CO 0.16 -0.95 0.00 1.17 -1.51 0.00 0.00 177.10 175.98 1b1j n LYS 60 N 6.82 0.00 0.00 -0.60 4.81 -1.26 -4.91 118.16 123.02 1b1j n LYS 60 Ca 0.40 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.84 1b1j n LYS 60 Cb 0.45 -0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.50 1b1j n LYS 60 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 1b1j n ASN 61 N -1.29 0.16 -4.13 3.14 5.15 -0.99 -4.96 115.26 112.34 1b1j n ASN 61 Ca 0.00 -1.07 -0.09 0.00 -0.60 0.00 0.00 54.58 52.82 1b1j n ASN 61 Cb 0.00 0.00 -0.10 0.00 -0.53 0.00 0.00 39.78 39.15 1b1j n ASN 61 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 1b1j s GLY 62 N -0.07 0.90 0.01 8.20 0.00 -0.89 0.45 107.32 115.93 1b1j s GLY 62 Ca 0.00 -1.41 0.00 0.00 0.00 0.00 0.00 44.72 43.31 1b1j s GLY 62 CO 0.00 -1.34 -0.03 -1.31 0.00 0.00 0.00 173.10 170.43 1b1j s ASN 63 N -3.03 0.25 0.07 1.64 0.02 -0.29 -4.48 114.94 109.12 1b1j s ASN 63 Ca 0.22 -0.30 -0.32 0.00 -1.02 0.00 0.00 52.86 51.43 1b1j s ASN 63 Cb 0.07 0.05 -0.11 0.00 0.02 0.00 0.00 41.25 41.28 1b1j s ASN 63 CO 0.00 -0.16 1.81 -2.65 0.02 0.00 0.00 177.10 176.13 1b1j n PRO 64 N 2.21 2.53 -4.94 -0.60 -0.02 -1.26 -1.41 135.00 131.50 1b1j n PRO 64 Ca -0.19 0.92 -0.27 0.00 -2.02 0.00 0.00 63.50 61.94 1b1j n PRO 64 Cb 0.57 -2.79 -0.16 0.00 -0.02 0.00 0.00 33.50 31.11 1b1j n PRO 64 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 1b1j s HIS 65 N 2.86 1.82 0.00 6.00 2.46 -0.45 -4.80 115.29 123.18 1b1j s HIS 65 Ca 0.85 -0.45 0.00 0.00 0.47 0.00 0.00 55.06 55.92 1b1j s HIS 65 Cb -0.57 -1.20 0.00 0.00 -0.13 0.00 0.00 32.58 30.69 1b1j s HIS 65 CO 0.41 -0.11 0.00 0.54 -2.47 0.00 0.00 174.74 173.11 1b1j n ARG 66 N 2.89 0.00 0.03 2.88 1.74 -1.26 -1.48 116.66 121.46 1b1j n ARG 66 Ca -0.17 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 56.79 1b1j n ARG 66 Cb 0.53 0.00 -0.09 0.00 -1.02 0.00 0.00 32.46 31.88 1b1j n ARG 66 CO 0.00 0.00 0.00 1.05 -1.52 0.00 0.00 177.63 177.16 1b1j h GLU 67 N 0.00 -0.06 -0.51 5.56 9.09 -2.04 -3.40 114.58 123.22 1b1j h GLU 67 Ca 0.00 0.00 -0.26 0.00 0.05 0.00 0.00 59.36 59.15 1b1j h GLU 67 Cb 0.00 0.01 -0.37 0.00 -1.65 0.00 0.00 28.75 26.74 1b1j h GLU 67 CO 0.00 0.22 -1.05 0.27 0.05 0.00 0.00 179.01 178.50 1b1j n ASN 68 N -4.99 1.23 -2.87 3.06 0.23 -1.25 -5.11 115.26 105.55 1b1j n ASN 68 Ca -0.08 -2.20 -0.14 0.00 -0.53 0.00 0.00 54.58 51.63 1b1j n ASN 68 Cb 0.17 -0.37 -0.04 0.00 -2.08 0.00 0.00 39.78 37.47 1b1j n ASN 68 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 1b1j n LEU 69 N -0.56 0.00 -3.77 -4.53 4.77 -0.55 -4.76 117.00 107.61 1b1j n LEU 69 Ca 0.05 -1.62 -0.13 0.00 -0.03 0.00 0.00 56.01 54.28 1b1j n LEU 69 Cb 0.81 0.45 -0.14 0.00 -2.33 0.00 0.00 43.42 42.21 1b1j n LEU 69 CO 0.09 -0.25 -0.24 -0.13 -1.33 0.00 0.00 177.39 175.54 1b1j s ARG 70 N -2.84 0.09 -0.07 3.23 1.81 -0.48 -1.34 118.95 119.36 1b1j s ARG 70 Ca 0.08 0.31 -0.04 0.00 -1.72 0.00 0.00 55.73 54.35 1b1j s ARG 70 Cb 0.00 -0.13 -0.04 0.00 -0.45 0.00 0.00 34.95 34.33 1b1j s ARG 70 CO 0.06 -0.13 0.14 -1.50 -0.68 0.00 0.00 175.30 173.18 1b1j s ILE 71 N 0.91 5.31 0.48 1.52 2.07 -0.50 -0.77 121.20 130.22 1b1j s ILE 71 Ca -0.07 -0.02 -0.20 0.00 -1.41 0.00 0.00 60.65 58.95 1b1j s ILE 71 Cb -0.09 -3.38 -0.09 0.00 0.13 0.00 0.00 42.46 39.03 1b1j s ILE 71 CO -0.04 0.49 1.02 -0.94 -1.91 0.00 0.00 174.94 173.55 1b1j s SER 72 N -1.41 6.45 0.01 4.50 1.04 0.54 -1.14 113.70 123.69 1b1j s SER 72 Ca 0.20 1.86 0.03 0.00 0.48 0.00 0.00 55.95 58.52 1b1j s SER 72 Cb -0.12 -2.55 -0.25 0.00 0.10 0.00 0.00 66.02 63.20 1b1j s SER 72 CO 0.10 -0.70 0.86 0.11 0.98 0.00 0.00 173.24 174.59 1b1j h LYS 73 N 1.57 0.13 -6.40 4.02 1.57 -0.35 -3.42 116.57 113.69 1b1j h LYS 73 Ca -0.49 -0.22 -0.46 0.00 -1.87 0.00 0.00 60.65 57.61 1b1j h LYS 73 Cb 1.21 0.08 0.01 0.00 0.08 0.00 0.00 32.23 33.61 1b1j h LYS 73 CO 0.59 0.92 -0.28 -1.54 -0.57 0.00 0.00 179.45 178.57 1b1j s SER 74 N -6.68 6.14 0.28 0.86 1.04 -1.26 -5.04 113.70 109.05 1b1j s SER 74 Ca -0.07 0.15 -0.05 0.00 0.48 0.00 0.00 55.95 56.47 1b1j s SER 74 Cb 0.08 -1.69 -0.05 0.00 0.10 0.00 0.00 66.02 64.45 1b1j s SER 74 CO 0.83 -0.33 0.55 -0.44 0.98 0.00 0.00 173.24 174.83 1b1j s SER 75 N -4.08 6.44 0.12 7.02 0.01 -1.26 -4.44 113.70 117.51 1b1j s SER 75 Ca 0.41 0.70 0.05 0.00 1.31 0.00 0.00 55.95 58.42 1b1j s SER 75 Cb -0.09 -2.14 -0.04 0.00 0.21 0.00 0.00 66.02 63.96 1b1j s SER 75 CO 0.33 -0.19 -0.13 -0.36 0.41 0.00 0.00 173.24 173.31 1b1j s PHE 76 N -2.07 1.31 -0.02 2.43 0.40 0.14 -4.86 117.98 115.30 1b1j s PHE 76 Ca 0.44 -0.61 -0.21 0.00 -0.60 0.00 0.00 56.93 55.95 1b1j s PHE 76 Cb -0.11 -0.69 -0.05 0.00 0.51 0.00 0.00 43.02 42.69 1b1j s PHE 76 CO 0.30 0.11 0.62 -0.65 0.70 0.00 0.00 175.22 176.30 1b1j s GLN 77 N -2.87 4.35 0.01 0.44 -1.52 -1.26 -1.43 119.66 117.39 1b1j s GLN 77 Ca 0.10 0.76 -0.09 0.00 -1.95 0.00 0.00 55.36 54.18 1b1j s GLN 77 Cb -0.03 -3.37 0.00 0.00 -0.22 0.00 0.00 33.01 29.39 1b1j s GLN 77 CO 0.02 0.29 0.17 0.14 -0.25 0.00 0.00 175.29 175.66 1b1j s VAL 78 N 0.07 0.09 -0.09 1.09 -7.23 -0.40 -1.37 120.40 112.55 1b1j s VAL 78 Ca 0.32 -0.74 0.00 0.00 -1.81 0.00 0.00 61.98 59.75 1b1j s VAL 78 Cb -0.18 -0.61 0.02 0.00 0.56 0.00 0.00 36.38 36.18 1b1j s VAL 78 CO 0.17 -0.41 -0.07 -0.89 -0.31 0.00 0.00 175.10 173.59 1b1j s THR 79 N -1.75 0.94 -0.21 5.32 2.01 -0.85 -0.52 115.64 120.59 1b1j s THR 79 Ca -0.12 -0.27 -0.08 0.00 0.31 0.00 0.00 61.69 61.53 1b1j s THR 79 Cb -0.05 -0.95 -0.04 0.00 0.01 0.00 0.00 72.50 71.46 1b1j s THR 79 CO 0.00 0.34 0.09 -0.89 -0.69 0.00 0.00 174.62 173.48 1b1j s THR 80 N 1.48 4.89 -0.32 -0.82 2.01 -0.35 -1.20 115.64 121.33 1b1j s THR 80 Ca 0.00 0.01 -0.06 0.00 0.31 0.00 0.00 61.69 61.95 1b1j s THR 80 Cb -0.13 -3.24 0.03 0.00 0.01 0.00 0.00 72.50 69.17 1b1j s THR 80 CO -0.05 0.42 0.08 0.00 -0.69 0.00 0.00 174.62 174.38 1b1j s LYS 82 N 1.42 3.26 0.42 0.00 2.47 -0.83 -1.66 119.74 124.82 1b1j s LYS 82 Ca -0.00 -0.72 -0.26 0.00 -1.56 0.00 0.00 55.97 53.42 1b1j s LYS 82 Cb -0.18 -3.20 -0.09 0.00 -1.46 0.00 0.00 37.83 32.90 1b1j s LYS 82 CO 0.02 -0.31 1.40 -1.17 0.16 0.00 0.00 175.35 175.45 1b1j s LEU 83 N 1.49 4.18 0.40 5.43 2.96 0.73 -2.16 118.68 131.72 1b1j s LEU 83 Ca 0.04 2.86 0.04 0.00 -0.22 0.00 0.00 54.13 56.85 1b1j s LEU 83 Cb -0.16 -3.88 -0.03 0.00 0.50 0.00 0.00 46.19 42.63 1b1j s LEU 83 CO -0.00 -1.02 0.12 -1.38 -1.32 0.00 0.00 176.35 172.75 1b1j s HIS 84 N -1.20 1.79 0.00 5.38 -3.43 0.28 -4.92 115.29 113.19 1b1j s HIS 84 Ca 0.58 -1.25 0.00 0.00 -0.80 0.00 0.00 55.06 53.59 1b1j s HIS 84 Cb -0.42 -1.16 0.00 0.00 -1.43 0.00 0.00 32.58 29.56 1b1j s HIS 84 CO 0.55 -0.27 0.00 0.41 -2.00 0.00 0.00 174.74 173.43 1b1j n GLY 85 N -0.88 0.90 0.14 -1.38 0.00 -1.26 -4.44 105.19 98.27 1b1j n GLY 85 Ca -0.05 -1.31 0.00 0.00 0.00 0.00 0.00 46.02 44.65 1b1j n GLY 85 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1b1j n GLY 86 N 0.00 0.85 2.89 -0.02 0.00 -1.26 -5.09 105.19 102.55 1b1j n GLY 86 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 1b1j n GLY 86 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1b1j s SER 87 N 0.00 2.28 0.00 1.61 0.15 -1.26 -5.00 113.70 111.48 1b1j s SER 87 Ca 0.00 -0.37 0.00 0.00 0.70 0.00 0.00 55.95 56.28 1b1j s SER 87 Cb 0.00 -0.81 0.00 0.00 -1.71 0.00 0.00 66.02 63.50 1b1j s SER 87 CO 0.00 -0.14 0.64 -0.81 1.20 0.00 0.00 173.24 174.12 1b1j n PRO 88 N 4.95 0.96 -4.73 5.44 -0.04 -1.26 -4.76 135.00 135.57 1b1j n PRO 88 Ca -0.12 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 63.02 1b1j n PRO 88 Cb 0.49 -1.32 -0.12 0.00 -0.04 0.00 0.00 33.50 32.51 1b1j n PRO 88 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 1b1j s TRP 89 N -1.33 2.72 0.52 0.54 0.52 -1.26 -0.76 118.94 119.89 1b1j s TRP 89 Ca 0.00 -0.14 -0.21 0.00 0.02 0.00 0.00 56.10 55.77 1b1j s TRP 89 Cb 0.00 -1.59 -0.08 0.00 -1.15 0.00 0.00 33.47 30.65 1b1j s TRP 89 CO 0.00 0.25 0.99 -2.30 0.02 0.00 0.00 176.95 175.91 1b1j n PRO 90 N 1.96 1.15 -2.13 4.98 -0.02 -1.26 -4.18 135.00 135.50 1b1j n PRO 90 Ca -0.17 0.42 -0.42 0.00 -2.02 0.00 0.00 63.50 61.32 1b1j n PRO 90 Cb 0.52 -2.12 -0.03 0.00 -0.02 0.00 0.00 33.50 31.85 1b1j n PRO 90 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1b1j s PRO 91 N -2.40 4.29 0.24 0.52 0.04 -1.26 -5.12 135.00 131.31 1b1j s PRO 91 Ca 0.69 2.11 -0.30 0.00 0.04 0.00 0.00 61.00 63.55 1b1j s PRO 91 Cb -0.47 -3.33 -0.09 0.00 0.04 0.00 0.00 34.50 30.65 1b1j s PRO 91 CO 0.52 -0.51 1.17 0.00 0.04 0.00 0.00 177.00 178.22 1b1j s GLN 93 N -0.91 2.52 0.04 0.00 -1.52 -1.26 -4.97 119.66 113.56 1b1j s GLN 93 Ca 0.49 -1.67 0.03 0.00 -1.95 0.00 0.00 55.36 52.26 1b1j s GLN 93 Cb -0.33 -3.88 -0.04 0.00 -0.22 0.00 0.00 33.01 28.54 1b1j s GLN 93 CO 0.40 -1.12 0.01 0.71 -0.25 0.00 0.00 175.29 175.05 1b1j s TYR 94 N 1.38 3.06 -0.11 0.91 2.02 -1.26 0.98 117.35 124.34 1b1j s TYR 94 Ca 0.05 0.05 0.04 0.00 -0.37 0.00 0.00 57.07 56.83 1b1j s TYR 94 Cb -0.25 -1.62 0.00 0.00 -0.40 0.00 0.00 41.96 39.69 1b1j s TYR 94 CO 0.00 0.48 -0.23 1.03 -1.57 0.00 0.00 175.55 175.26 1b1j s ARG 95 N -1.93 3.05 -0.06 -0.62 1.81 -0.92 -4.80 118.95 115.49 1b1j s ARG 95 Ca 0.23 -0.87 -0.12 0.00 -1.72 0.00 0.00 55.73 53.25 1b1j s ARG 95 Cb -0.12 -2.34 -0.05 0.00 -0.45 0.00 0.00 34.95 31.99 1b1j s ARG 95 CO 0.15 0.14 0.32 0.00 -0.68 0.00 0.00 175.30 175.22 1b1j s ALA 96 N 0.45 3.73 -0.17 2.13 0.00 -1.26 -1.97 121.76 124.66 1b1j s ALA 96 Ca -0.16 -0.37 -0.01 0.00 0.00 0.00 0.00 51.96 51.42 1b1j s ALA 96 Cb -0.17 -2.28 0.05 0.00 0.00 0.00 0.00 23.12 20.71 1b1j s ALA 96 CO 0.06 0.44 -0.03 0.99 0.00 0.00 0.00 175.76 177.22 1b1j s THR 97 N -0.77 1.00 0.15 0.00 2.01 -0.41 -4.82 115.64 112.81 1b1j s THR 97 Ca 0.20 -0.62 -0.09 0.00 0.31 0.00 0.00 61.69 61.49 1b1j s THR 97 Cb -0.15 -1.24 -0.06 0.00 0.01 0.00 0.00 72.50 71.06 1b1j s THR 97 CO 0.09 0.06 0.46 0.00 -0.69 0.00 0.00 174.62 174.55 1b1j s ALA 98 N 1.67 3.67 0.38 7.40 0.00 -1.26 -1.21 121.76 132.41 1b1j s ALA 98 Ca 0.00 -0.35 -0.13 0.00 0.00 0.00 0.00 51.96 51.48 1b1j s ALA 98 Cb -0.16 -2.33 0.05 0.00 0.00 0.00 0.00 23.12 20.69 1b1j s ALA 98 CO -0.07 0.56 0.74 0.20 0.00 0.00 0.00 175.76 177.18 1b1j s GLY 99 N -2.10 0.58 -0.21 0.00 0.00 0.32 -5.00 107.32 100.91 1b1j s GLY 99 Ca 0.40 -0.90 -0.04 0.00 0.00 0.00 0.00 44.72 44.18 1b1j s GLY 99 CO 0.21 -0.44 0.22 -0.12 0.00 0.00 0.00 173.10 172.97 1b1j s PHE 100 N -2.37 -0.25 0.17 1.90 5.36 -1.25 -1.28 117.98 120.26 1b1j s PHE 100 Ca 0.18 0.15 -0.09 0.00 -0.96 0.00 0.00 56.93 56.22 1b1j s PHE 100 Cb -0.04 -0.39 0.03 0.00 -0.34 0.00 0.00 43.02 42.28 1b1j s PHE 100 CO 0.13 -0.62 0.45 2.89 -1.46 0.00 0.00 175.22 176.61 1b1j n ARG 101 N 5.32 0.52 -2.37 10.12 1.85 -0.51 -4.83 116.66 126.75 1b1j n ARG 101 Ca -0.05 -1.05 -0.31 0.00 -1.00 0.00 0.00 57.85 55.43 1b1j n ARG 101 Cb 0.49 1.33 -0.02 0.00 -1.05 0.00 0.00 32.46 33.21 1b1j n ARG 101 CO 0.00 0.00 0.00 -0.80 -0.01 0.00 0.00 177.63 176.82 1b1j s ASN 102 N -2.13 6.52 0.06 2.89 -0.87 -1.26 0.24 114.94 120.38 1b1j s ASN 102 Ca 0.09 1.45 0.04 0.00 -1.57 0.00 0.00 52.86 52.88 1b1j s ASN 102 Cb -0.02 -2.47 -0.03 0.00 -0.02 0.00 0.00 41.25 38.72 1b1j s ASN 102 CO 0.05 -0.62 -0.12 0.68 -2.57 0.00 0.00 177.10 174.53 1b1j s VAL 103 N -2.70 0.92 -0.16 1.60 -7.23 -1.26 -4.88 120.40 106.69 1b1j s VAL 103 Ca 0.57 -1.16 -0.05 0.00 -1.81 0.00 0.00 61.98 59.52 1b1j s VAL 103 Cb -0.10 -0.90 -0.04 0.00 0.56 0.00 0.00 36.38 35.90 1b1j s VAL 103 CO 0.36 -0.23 0.03 -0.69 -0.31 0.00 0.00 175.10 174.26 1b1j s VAL 104 N -1.21 4.51 0.15 1.32 1.01 -1.26 -0.34 120.40 124.58 1b1j s VAL 104 Ca -0.04 -0.14 -0.00 0.00 0.00 0.00 0.00 61.98 61.80 1b1j s VAL 104 Cb -0.09 -2.99 -0.04 0.00 0.00 0.00 0.00 36.38 33.25 1b1j s VAL 104 CO 0.02 0.50 0.05 0.68 0.00 0.00 0.00 175.10 176.34 1b1j s VAL 105 N 0.09 0.28 -0.11 2.92 -7.23 0.05 -1.26 120.40 115.14 1b1j s VAL 105 Ca 0.03 -1.94 -0.04 0.00 -1.81 0.00 0.00 61.98 58.23 1b1j s VAL 105 Cb -0.13 -2.11 -0.04 0.00 0.56 0.00 0.00 36.38 34.67 1b1j s VAL 105 CO 0.01 -0.43 0.04 0.00 -0.31 0.00 0.00 175.10 174.41 1b1j s ALA 106 N -3.93 3.40 0.19 1.32 0.00 -0.52 -1.38 121.76 120.84 1b1j s ALA 106 Ca 0.25 -0.76 0.10 0.00 0.00 0.00 0.00 51.96 51.54 1b1j s ALA 106 Cb 0.07 -1.66 -0.04 0.00 0.00 0.00 0.00 23.12 21.49 1b1j s ALA 106 CO 0.03 0.49 -0.14 0.00 0.00 0.00 0.00 175.76 176.15 1b1j s GLU 108 N -2.81 0.39 -0.66 0.00 2.02 0.30 -4.87 118.70 113.06 1b1j s GLU 108 Ca 0.24 -0.33 -0.04 0.00 0.02 0.00 0.00 54.97 54.86 1b1j s GLU 108 Cb -0.08 -0.70 0.00 0.00 0.10 0.00 0.00 34.13 33.45 1b1j s GLU 108 CO 0.14 -1.07 0.55 0.09 0.02 0.00 0.00 175.26 174.99 1b1j n ASN 109 N 5.06 -4.09 0.00 -0.19 4.13 -1.26 -3.30 115.26 115.61 1b1j n ASN 109 Ca 0.01 -0.25 0.00 0.00 1.68 0.00 0.00 54.58 56.02 1b1j n ASN 109 Cb 0.46 -2.67 0.00 0.00 -1.54 0.00 0.00 39.78 36.03 1b1j n ASN 109 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1b1j n GLY 110 N -1.22 0.77 3.20 7.41 0.00 -1.26 -5.05 105.19 109.04 1b1j n GLY 110 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 1b1j n GLY 110 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1b1j s LEU 111 N 0.00 2.13 0.03 0.99 1.43 -1.21 -4.84 118.68 117.21 1b1j s LEU 111 Ca 0.00 -0.45 -0.26 0.00 -1.03 0.00 0.00 54.13 52.39 1b1j s LEU 111 Cb 0.00 -0.87 -0.05 0.00 0.03 0.00 0.00 46.19 45.30 1b1j s LEU 111 CO 0.00 0.15 0.81 -2.16 0.23 0.00 0.00 176.35 175.37 1b1j s PRO 112 N -0.94 4.52 0.00 1.29 0.04 -1.26 0.11 135.00 138.76 1b1j s PRO 112 Ca 0.06 1.13 0.00 0.00 0.04 0.00 0.00 61.00 62.23 1b1j s PRO 112 Cb -0.08 -3.39 0.00 0.00 0.04 0.00 0.00 34.50 31.07 1b1j s PRO 112 CO 0.01 0.20 0.54 1.33 0.04 0.00 0.00 177.00 179.13 1b1j n VAL 113 N 3.07 0.22 -3.63 -0.36 0.24 0.07 -4.22 118.33 113.72 1b1j n VAL 113 Ca -0.01 -0.52 -0.11 0.00 -2.04 0.00 0.00 64.34 61.66 1b1j n VAL 113 Cb 0.50 1.02 -0.07 0.00 -1.47 0.00 0.00 33.84 33.82 1b1j n VAL 113 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 1b1j s HIS 114 N -0.22 -0.72 -0.41 6.34 5.65 -1.23 -4.60 115.29 120.09 1b1j s HIS 114 Ca 0.00 1.69 -0.11 0.00 0.25 0.00 0.00 55.06 56.89 1b1j s HIS 114 Cb 0.00 0.35 0.06 0.00 -1.18 0.00 0.00 32.58 31.80 1b1j s HIS 114 CO 0.00 -0.35 0.26 -1.17 -0.65 0.00 0.00 174.74 172.83 1b1j s LEU 115 N 0.54 5.06 0.24 8.88 0.20 -1.26 -1.43 118.68 130.91 1b1j s LEU 115 Ca -0.01 -1.25 -0.30 0.00 0.69 0.00 0.00 54.13 53.26 1b1j s LEU 115 Cb -0.05 -2.04 -0.10 0.00 -0.43 0.00 0.00 46.19 43.57 1b1j s LEU 115 CO -0.04 -0.49 1.43 -0.62 -0.29 0.00 0.00 176.35 176.34 1b1j s ASP 116 N 1.96 6.67 0.00 3.68 2.15 -0.39 -4.94 116.67 125.80 1b1j s ASP 116 Ca 0.03 2.64 0.11 0.00 0.43 0.00 0.00 52.55 55.76 1b1j s ASP 116 Cb -0.22 -2.62 0.26 0.00 -0.30 0.00 0.00 42.92 40.04 1b1j s ASP 116 CO 0.05 -0.69 1.17 0.00 -0.17 0.00 0.00 175.17 175.53 1b1j n GLN 117 N 2.45 2.37 0.25 4.34 6.02 -1.26 -4.61 117.38 126.94 1b1j n GLN 117 Ca 0.07 -1.86 0.12 0.00 -0.01 0.00 0.00 57.00 55.32 1b1j n GLN 117 Cb 0.40 -1.26 0.63 0.00 1.02 0.00 0.00 30.24 31.04 1b1j n GLN 117 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 1b1j h SER 118 N 2.08 0.00 0.80 1.08 4.64 -1.95 -1.70 113.55 118.50 1b1j h SER 118 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1b1j h SER 118 Cb 0.68 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.77 1b1j h SER 118 CO 0.00 0.16 -0.12 0.00 -0.87 0.00 0.00 176.83 176.00 1b1j n ILE 119 N -3.51 0.00 1.04 0.95 3.06 -1.26 -3.32 119.36 116.32 1b1j n ILE 119 Ca -0.01 -0.01 0.12 0.00 -2.50 0.00 0.00 62.75 60.35 1b1j n ILE 119 Cb 0.31 -0.30 0.07 0.00 0.54 0.00 0.00 39.64 40.26 1b1j n ILE 119 CO 0.00 0.00 0.00 0.49 -2.50 0.00 0.00 176.55 174.54 1b1j n PHE 120 N -1.44 0.00 -3.01 9.51 3.72 -0.65 -4.29 117.46 121.30 1b1j n PHE 120 Ca 0.08 0.00 -0.36 0.00 -0.05 0.00 0.00 57.45 57.12 1b1j n PHE 120 Cb 0.33 -0.01 -0.02 0.00 -0.94 0.00 0.00 39.48 38.83 1b1j n PHE 120 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1b1j n ARG 121 N 0.16 4.00 -2.20 -1.08 1.74 -1.19 -5.01 116.66 113.09 1b1j n ARG 121 Ca 0.11 -4.67 -0.31 0.00 -0.77 0.00 0.00 57.85 52.21 1b1j n ARG 121 Cb 0.48 -2.39 -0.04 0.00 -1.02 0.00 0.00 32.46 29.48 1b1j n ARG 121 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1b1j s ARG 122 N -3.21 2.86 0.00 5.56 0.52 -1.26 -5.01 118.95 118.41 1b1j s ARG 122 Ca 0.38 -0.62 0.25 0.00 -0.52 0.00 0.00 55.73 55.22 1b1j s ARG 122 Cb 0.15 -5.17 0.37 0.00 0.52 0.00 0.00 34.95 30.82 1b1j s ARG 122 CO -0.02 -3.10 1.36 -0.35 0.02 0.00 0.00 175.30 173.22