#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1raa n THR 2 N 0.00 0.00 0.00 1.12 5.66 -1.26 -5.04 114.28 114.76 1raa n THR 2 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1raa n THR 2 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 1raa n THR 2 CO 0.00 0.00 0.00 1.41 -3.05 0.00 0.00 175.07 173.43 1raa n HIS 3 N -0.82 0.00 0.00 1.09 -0.00 -1.26 -4.46 115.22 109.77 1raa n HIS 3 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 1raa n HIS 3 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 29.99 1raa n HIS 3 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.34 176.09 1raa n ASP 4 N 0.00 0.00 0.00 0.41 9.92 -1.26 -3.80 116.55 121.82 1raa n ASP 4 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 1raa n ASP 4 Cb 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 1raa n ASP 4 CO 0.00 0.00 0.00 -0.46 0.13 0.00 0.00 177.20 176.87 1raa n ASN 5 N 0.00 0.00 0.00 -2.24 0.23 -1.26 -3.08 115.26 108.91 1raa n ASN 5 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.05 1raa n ASN 5 Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.70 1raa n ASN 5 CO 0.00 0.00 0.00 2.29 -0.93 0.00 0.00 177.26 178.62 1raa n LYS 6 N 0.00 0.60 0.19 -3.83 2.85 -1.26 -3.75 118.16 112.96 1raa n LYS 6 Ca 0.00 -0.00 0.03 0.00 -1.05 0.00 0.00 58.31 57.29 1raa n LYS 6 Cb 0.00 -0.05 0.38 0.00 -0.65 0.00 0.00 35.03 34.71 1raa n LYS 6 CO 0.00 0.00 0.00 1.37 -0.05 0.00 0.00 177.40 178.72 1raa h LEU 7 N 0.00 0.00 -5.64 -5.58 -0.00 -1.92 -3.32 115.31 98.85 1raa h LEU 7 Ca 0.00 0.00 -0.16 0.00 -0.00 0.00 0.00 57.88 57.72 1raa h LEU 7 Cb 0.01 0.00 -0.20 0.00 -0.00 0.00 0.00 40.66 40.47 1raa h LEU 7 CO 0.00 0.34 -0.52 0.00 -0.00 0.00 0.00 178.44 178.26 1raa s GLN 8 N -4.23 0.91 0.92 0.17 -2.07 -1.26 -4.20 119.66 109.91 1raa s GLN 8 Ca -0.03 -0.77 -0.13 0.00 -1.82 0.00 0.00 55.36 52.61 1raa s GLN 8 Cb 0.14 -0.14 0.03 0.00 -1.09 0.00 0.00 33.01 31.95 1raa s GLN 8 CO 0.72 -1.26 0.46 0.28 -1.32 0.00 0.00 175.29 174.17 1raa n VAL 9 N 3.69 0.28 -4.29 3.63 0.31 -1.25 -4.73 118.33 115.96 1raa n VAL 9 Ca 0.15 -0.21 -0.19 0.00 -0.01 0.00 0.00 64.34 64.08 1raa n VAL 9 Cb 0.55 -0.66 -0.07 0.00 -0.91 0.00 0.00 33.84 32.75 1raa n VAL 9 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 1raa n GLU 10 N -1.68 0.41 0.00 5.55 2.13 -1.18 -4.92 120.64 120.95 1raa n GLU 10 Ca 0.07 -3.15 0.00 0.00 0.66 0.00 0.00 57.16 54.74 1raa n GLU 10 Cb 0.53 2.47 0.00 0.00 0.27 0.00 0.00 31.44 34.71 1raa n GLU 10 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1raa n ALA 11 N -0.89 0.00 -2.20 4.31 0.00 -1.25 -4.69 120.51 115.80 1raa n ALA 11 Ca -0.12 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.06 1raa n ALA 11 Cb 0.57 0.00 0.01 0.00 0.00 0.00 0.00 19.45 20.03 1raa n ALA 11 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 1raa s ILE 12 N 0.00 4.39 -0.18 0.00 -4.36 -1.26 -2.49 121.20 117.29 1raa s ILE 12 Ca 0.00 0.10 -0.00 0.00 -0.26 0.00 0.00 60.65 60.49 1raa s ILE 12 Cb 0.00 -3.69 0.01 0.00 1.25 0.00 0.00 42.46 40.03 1raa s ILE 12 CO 0.00 -0.68 -0.15 -1.59 0.24 0.00 0.00 174.94 172.76 1raa s LYS 13 N -4.83 3.14 0.26 0.37 -2.85 -1.26 -4.44 119.74 110.13 1raa s LYS 13 Ca 0.50 -0.76 0.00 0.00 -1.00 0.00 0.00 55.97 54.71 1raa s LYS 13 Cb -0.10 -2.69 0.00 0.00 -2.06 0.00 0.00 37.83 32.98 1raa s LYS 13 CO 0.45 -0.15 0.00 -2.13 0.10 0.00 0.00 175.35 173.62 1raa n ARG 14 N 4.51 -5.42 -2.01 1.78 0.63 -1.25 -4.44 116.66 110.46 1raa n ARG 14 Ca -0.20 3.85 0.00 0.00 -0.92 0.00 0.00 57.85 60.58 1raa n ARG 14 Cb 0.51 -4.21 0.00 0.00 0.45 0.00 0.00 32.46 29.21 1raa n ARG 14 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1raa n GLY 15 N 1.50 -0.11 3.53 5.14 0.00 0.02 -0.74 105.19 114.54 1raa n GLY 15 Ca 0.00 -1.55 -0.32 0.00 0.00 0.00 0.00 46.02 44.15 1raa n GLY 15 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1raa s THR 16 N -2.61 3.26 -0.19 2.61 2.01 0.24 -1.22 115.64 119.73 1raa s THR 16 Ca 0.00 -0.92 0.00 0.00 0.31 0.00 0.00 61.69 61.08 1raa s THR 16 Cb 0.00 -2.38 0.04 0.00 0.01 0.00 0.00 72.50 70.17 1raa s THR 16 CO 0.00 0.40 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.56 1raa s VAL 17 N -0.94 1.40 -0.38 3.82 1.01 0.44 -1.07 120.40 124.69 1raa s VAL 17 Ca 0.15 -0.85 -0.17 0.00 0.00 0.00 0.00 61.98 61.11 1raa s VAL 17 Cb -0.11 -1.53 0.00 0.00 0.00 0.00 0.00 36.38 34.75 1raa s VAL 17 CO 0.06 0.13 0.46 -0.63 0.00 0.00 0.00 175.10 175.12 1raa s ILE 18 N 1.50 5.06 0.32 2.22 1.09 -0.58 -0.27 121.20 130.54 1raa s ILE 18 Ca -0.01 0.05 0.10 0.00 -1.10 0.00 0.00 60.65 59.69 1raa s ILE 18 Cb -0.16 -3.97 -0.06 0.00 -1.06 0.00 0.00 42.46 37.21 1raa s ILE 18 CO -0.08 -0.28 -0.13 -0.62 -0.10 0.00 0.00 174.94 173.74 1raa s ASP 19 N 1.79 3.58 -1.09 3.58 2.15 -0.58 -1.65 116.67 124.44 1raa s ASP 19 Ca 0.15 -1.14 -0.01 0.00 0.43 0.00 0.00 52.55 51.99 1raa s ASP 19 Cb -0.16 -0.31 0.00 0.00 -0.30 0.00 0.00 42.92 42.15 1raa s ASP 19 CO 0.13 -0.14 0.91 1.57 -0.17 0.00 0.00 175.17 177.48 1raa n HIS 20 N -0.71 -2.02 -2.66 -5.34 -0.00 -1.23 -1.01 115.22 102.25 1raa n HIS 20 Ca -0.05 0.85 -0.41 0.00 0.46 0.00 0.00 57.72 58.57 1raa n HIS 20 Cb 0.62 -4.76 -0.05 0.00 -0.12 0.00 0.00 29.99 25.69 1raa n HIS 20 CO 0.00 0.00 0.00 0.42 0.46 0.00 0.00 176.34 177.22 1raa s ILE 21 N -3.32 4.15 0.13 3.57 -1.09 -1.13 -3.56 121.20 119.95 1raa s ILE 21 Ca 0.04 1.92 -0.32 0.00 -2.23 0.00 0.00 60.65 60.06 1raa s ILE 21 Cb -0.02 -4.22 -0.10 0.00 -1.58 0.00 0.00 42.46 36.54 1raa s ILE 21 CO 0.65 0.36 1.55 -0.65 -1.23 0.00 0.00 174.94 175.62 1raa h PRO 22 N 4.97 -0.40 0.00 2.79 0.11 -1.89 -2.22 132.00 135.36 1raa h PRO 22 Ca -0.44 0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.70 1raa h PRO 22 Cb 1.21 0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.41 1raa h PRO 22 CO 0.71 -0.27 0.00 0.00 -0.21 0.00 0.00 178.00 178.23 1raa n ALA 23 N -3.07 0.00 -0.90 -0.75 0.00 -1.26 -4.51 120.51 110.01 1raa n ALA 23 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.41 1raa n ALA 23 Cb 0.35 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.80 1raa n ALA 23 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1raa n GLN 24 N -0.46 -1.33 0.05 0.00 1.13 -1.26 -4.77 117.38 110.74 1raa n GLN 24 Ca 0.00 0.33 0.11 0.00 -1.94 0.00 0.00 57.00 55.50 1raa n GLN 24 Cb 0.00 -4.59 -0.06 0.00 0.11 0.00 0.00 30.24 25.69 1raa n GLN 24 CO 0.00 0.00 0.00 -0.89 -1.44 0.00 0.00 177.06 174.73 1raa n ILE 25 N -2.11 0.31 0.33 5.09 2.08 -1.26 -4.41 119.36 119.38 1raa n ILE 25 Ca 0.00 -0.48 -0.16 0.00 0.56 0.00 0.00 62.75 62.67 1raa n ILE 25 Cb 0.33 -0.12 -0.08 0.00 -0.75 0.00 0.00 39.64 39.02 1raa n ILE 25 CO 0.00 0.00 0.00 1.23 0.56 0.00 0.00 176.55 178.34 1raa h GLY 26 N 4.09 -1.18 0.81 7.39 0.00 -1.93 0.90 103.07 113.15 1raa h GLY 26 Ca 0.00 0.50 0.05 0.00 0.00 0.00 0.00 47.33 47.88 1raa h GLY 26 CO 0.00 -0.39 0.64 -2.75 0.00 0.00 0.00 176.54 174.04 1raa h PHE 27 N -0.96 1.19 -0.40 5.60 3.57 -1.99 -0.41 116.94 123.52 1raa h PHE 27 Ca -0.08 0.03 0.07 0.00 3.53 0.00 0.00 57.97 61.53 1raa h PHE 27 Cb 0.79 -0.39 -0.07 0.00 2.79 0.00 0.00 35.95 39.07 1raa h PHE 27 CO -0.12 0.65 0.00 0.87 -2.23 0.00 0.00 178.31 177.48 1raa h LYS 28 N 1.20 0.11 -0.59 1.11 1.57 -1.65 0.80 116.57 119.10 1raa h LYS 28 Ca 0.41 -0.01 -0.06 0.00 -1.87 0.00 0.00 60.65 59.12 1raa h LYS 28 Cb 0.08 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.34 1raa h LYS 28 CO -0.15 0.07 0.15 -0.07 -0.57 0.00 0.00 179.45 178.88 1raa h LEU 29 N 0.11 0.86 -0.36 2.94 3.38 -0.13 0.11 115.31 122.22 1raa h LEU 29 Ca 0.20 -0.16 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 1raa h LEU 29 Cb 0.28 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 1raa h LEU 29 CO -0.33 0.84 0.10 -0.07 0.09 0.00 0.00 178.44 179.06 1raa h LEU 30 N 0.88 0.53 0.42 1.67 -0.00 -0.31 -2.23 115.31 116.27 1raa h LEU 30 Ca 0.19 -0.22 -0.02 0.00 -0.00 0.00 0.00 57.88 57.83 1raa h LEU 30 Cb 0.31 -0.14 0.00 0.00 -0.00 0.00 0.00 40.66 40.84 1raa h LEU 30 CO -0.00 0.61 -0.20 0.28 -0.00 0.00 0.00 178.44 179.13 1raa h SER 31 N 0.42 -0.48 -0.86 -0.43 0.02 -0.10 -2.50 113.55 109.63 1raa h SER 31 Ca 0.11 0.02 0.09 0.00 -0.84 0.00 0.00 61.79 61.17 1raa h SER 31 Cb 0.28 0.12 -0.06 0.00 0.14 0.00 0.00 62.40 62.88 1raa h SER 31 CO -0.00 -0.31 0.56 -0.07 -1.14 0.00 0.00 176.83 175.87 1raa h LEU 32 N -0.63 0.77 -2.61 5.07 4.07 -0.88 -2.09 115.31 119.02 1raa h LEU 32 Ca -0.06 0.02 0.00 0.00 0.08 0.00 0.00 57.88 57.92 1raa h LEU 32 Cb 0.43 -0.15 0.00 0.00 1.08 0.00 0.00 40.66 42.02 1raa h LEU 32 CO 0.09 0.47 0.00 0.49 -1.08 0.00 0.00 178.44 178.41 1raa n PHE 33 N -4.51 0.65 -4.24 1.13 3.72 -0.84 -4.93 117.46 108.44 1raa n PHE 33 Ca 0.14 -0.41 -0.31 0.00 -0.05 0.00 0.00 57.45 56.82 1raa n PHE 33 Cb 0.29 -0.01 -0.07 0.00 -0.94 0.00 0.00 39.48 38.74 1raa n PHE 33 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 1raa n LYS 34 N 1.21 -1.65 0.06 -1.08 4.76 -0.79 -4.83 118.16 115.85 1raa n LYS 34 Ca 0.18 0.19 0.09 0.00 -2.87 0.00 0.00 58.31 55.91 1raa n LYS 34 Cb 0.54 -4.02 0.40 0.00 -1.84 0.00 0.00 35.03 30.11 1raa n LYS 34 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1raa n LEU 35 N -4.48 0.31 0.16 -0.35 4.77 -1.13 -2.60 117.00 113.67 1raa n LEU 35 Ca -0.26 0.57 0.12 0.00 -0.03 0.00 0.00 56.01 56.41 1raa n LEU 35 Cb 0.66 -0.53 0.14 0.00 -2.33 0.00 0.00 43.42 41.36 1raa n LEU 35 CO 0.84 -0.37 0.54 0.71 -1.33 0.00 0.00 177.39 177.77 1raa h THR 36 N 0.00 0.00 -0.12 -5.08 1.35 -1.88 -3.37 112.91 103.80 1raa h THR 36 Ca 0.00 -0.91 -0.18 0.00 -0.55 0.00 0.00 66.41 64.77 1raa h THR 36 Cb 0.32 1.73 -0.07 0.00 -1.73 0.00 0.00 68.15 68.40 1raa h THR 36 CO 0.00 0.00 -0.19 1.21 -0.25 0.00 0.00 175.52 176.29 1raa n GLU 37 N -2.82 1.79 -4.19 4.72 4.07 -1.07 -4.79 120.64 118.34 1raa n GLU 37 Ca 0.03 -0.91 -0.16 0.00 -0.06 0.00 0.00 57.16 56.06 1raa n GLU 37 Cb 0.52 -1.76 -0.11 0.00 -0.06 0.00 0.00 31.44 30.03 1raa n GLU 37 CO 0.00 0.00 0.00 0.99 -0.06 0.00 0.00 177.13 178.06 1raa s THR 38 N 0.30 1.07 -1.32 6.31 2.01 -1.26 -5.04 115.64 117.72 1raa s THR 38 Ca 0.49 -1.62 0.25 0.00 0.31 0.00 0.00 61.69 61.12 1raa s THR 38 Cb 0.25 -1.37 0.10 0.00 0.01 0.00 0.00 72.50 71.49 1raa s THR 38 CO -0.02 -0.48 1.45 0.47 -0.69 0.00 0.00 174.62 175.35 1raa n ASP 39 N 0.64 0.75 -4.77 3.53 8.00 -1.26 -4.97 116.55 118.47 1raa n ASP 39 Ca -0.16 -0.55 -0.31 0.00 0.71 0.00 0.00 54.79 54.48 1raa n ASP 39 Cb 0.57 0.24 0.09 0.00 -0.02 0.00 0.00 41.12 42.00 1raa n ASP 39 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1raa s GLN 40 N -2.79 2.15 0.23 -1.24 -1.52 -1.26 -4.98 119.66 110.25 1raa s GLN 40 Ca 0.16 1.02 -0.30 0.00 -1.95 0.00 0.00 55.36 54.29 1raa s GLN 40 Cb 0.18 -1.90 -0.09 0.00 -0.22 0.00 0.00 33.01 30.98 1raa s GLN 40 CO 0.63 -1.67 1.29 1.03 -0.25 0.00 0.00 175.29 176.32 1raa s ARG 41 N -4.95 4.41 0.01 2.91 0.52 -1.26 -4.93 118.95 115.65 1raa s ARG 41 Ca 0.61 2.06 0.08 0.00 -0.52 0.00 0.00 55.73 57.96 1raa s ARG 41 Cb -0.17 -3.17 -0.02 0.00 0.52 0.00 0.00 34.95 32.11 1raa s ARG 41 CO 0.56 -0.20 -0.25 0.42 0.02 0.00 0.00 175.30 175.85 1raa s ILE 42 N -0.23 2.03 0.00 1.52 1.01 -1.26 -2.93 121.20 121.34 1raa s ILE 42 Ca 0.54 -1.22 0.08 0.00 0.00 0.00 0.00 60.65 60.05 1raa s ILE 42 Cb -0.37 -1.71 -0.02 0.00 0.01 0.00 0.00 42.46 40.37 1raa s ILE 42 CO 0.41 0.45 -0.25 -0.89 0.00 0.00 0.00 174.94 174.67 1raa s THR 43 N -0.70 2.21 -0.01 2.92 2.01 -0.17 -4.99 115.64 116.91 1raa s THR 43 Ca 0.10 -1.18 0.01 0.00 0.31 0.00 0.00 61.69 60.94 1raa s THR 43 Cb -0.10 -1.82 0.00 0.00 0.01 0.00 0.00 72.50 70.60 1raa s THR 43 CO 0.01 0.49 -0.05 -0.63 -0.69 0.00 0.00 174.62 173.75 1raa s ILE 44 N -0.71 0.42 -0.19 1.82 1.01 -1.26 -0.35 121.20 121.94 1raa s ILE 44 Ca 0.11 -0.19 0.01 0.00 0.00 0.00 0.00 60.65 60.58 1raa s ILE 44 Cb -0.10 -0.38 0.03 0.00 0.01 0.00 0.00 42.46 42.01 1raa s ILE 44 CO 0.01 0.14 -0.18 -0.83 0.00 0.00 0.00 174.94 174.07 1raa s GLY 45 N 0.12 1.43 -0.10 6.18 0.00 -0.65 -5.00 107.32 109.31 1raa s GLY 45 Ca -0.01 -1.31 0.01 0.00 0.00 0.00 0.00 44.72 43.41 1raa s GLY 45 CO -0.00 0.33 -0.13 1.08 0.00 0.00 0.00 173.10 174.38 1raa s LEU 46 N 1.26 2.76 -0.87 0.66 1.02 -1.26 -0.93 118.68 121.31 1raa s LEU 46 Ca 0.03 -0.26 -0.04 0.00 0.02 0.00 0.00 54.13 53.88 1raa s LEU 46 Cb -0.14 -1.60 -0.04 0.00 0.02 0.00 0.00 46.19 44.43 1raa s LEU 46 CO -0.12 0.23 0.78 0.59 0.02 0.00 0.00 176.35 177.86 1raa n ASN 47 N 3.07 -6.69 -4.92 2.29 3.02 -0.85 -4.99 115.26 106.19 1raa n ASN 47 Ca -0.18 -0.45 -0.30 0.00 -0.03 0.00 0.00 54.58 53.63 1raa n ASN 47 Cb 0.53 -4.92 -0.04 0.00 -0.61 0.00 0.00 39.78 34.74 1raa n ASN 47 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1raa s LEU 48 N -4.73 4.31 -0.94 3.41 1.43 0.12 -4.77 118.68 117.50 1raa s LEU 48 Ca 0.28 0.36 -0.24 0.00 -1.03 0.00 0.00 54.13 53.49 1raa s LEU 48 Cb -0.04 -3.08 0.04 0.00 0.03 0.00 0.00 46.19 43.14 1raa s LEU 48 CO 0.69 0.08 1.45 -2.16 0.23 0.00 0.00 176.35 176.64 1raa s PRO 49 N -2.80 3.42 0.27 1.29 0.04 -1.26 -1.44 135.00 134.51 1raa s PRO 49 Ca 0.37 -0.84 0.00 0.00 0.04 0.00 0.00 61.00 60.58 1raa s PRO 49 Cb -0.12 -5.05 -0.03 0.00 0.04 0.00 0.00 34.50 29.34 1raa s PRO 49 CO 0.27 -2.28 0.27 -1.12 0.04 0.00 0.00 177.00 174.19 1raa s SER 50 N 4.94 0.75 -0.41 6.66 0.01 0.20 -4.83 113.70 121.03 1raa s SER 50 Ca 0.45 -1.48 -0.42 0.00 1.31 0.00 0.00 55.95 55.81 1raa s SER 50 Cb -0.02 0.50 -0.17 0.00 0.21 0.00 0.00 66.02 66.54 1raa s SER 50 CO -0.03 -1.02 1.86 0.61 0.41 0.00 0.00 173.24 175.07 1raa n GLY 51 N -0.44 0.38 2.93 3.44 0.00 -1.26 -0.73 105.19 109.50 1raa n GLY 51 Ca 0.03 1.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.79 1raa n GLY 51 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1raa n GLU 52 N 5.89 -1.30 0.00 1.61 -0.58 -1.26 -4.26 120.64 120.75 1raa n GLU 52 Ca 0.37 0.89 0.00 0.00 -0.42 0.00 0.00 57.16 58.00 1raa n GLU 52 Cb 0.05 -1.44 0.00 0.00 -0.57 0.00 0.00 31.44 29.48 1raa n GLU 52 CO 0.00 0.00 0.00 -0.12 -0.48 0.00 0.00 177.13 176.53 1raa n MET 53 N -0.56 0.00 0.00 3.49 1.56 -1.26 -5.05 117.12 115.31 1raa n MET 53 Ca -0.10 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.33 1raa n MET 53 Cb 0.49 0.00 0.00 0.00 2.15 0.00 0.00 33.22 35.86 1raa n MET 53 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 1raa n GLY 54 N 0.00 1.84 2.85 -5.12 0.00 0.09 -4.75 105.19 100.11 1raa n GLY 54 Ca 0.00 -0.20 -0.16 0.00 0.00 0.00 0.00 46.02 45.66 1raa n GLY 54 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1raa s ARG 55 N 0.00 0.04 0.34 1.61 3.52 -1.25 0.61 118.95 123.82 1raa s ARG 55 Ca 0.00 0.48 0.05 0.00 -0.13 0.00 0.00 55.73 56.13 1raa s ARG 55 Cb 0.00 -0.26 -0.02 0.00 -1.56 0.00 0.00 34.95 33.11 1raa s ARG 55 CO 0.00 -0.26 0.18 0.36 -0.81 0.00 0.00 175.30 174.77 1raa n LYS 56 N 4.94 0.51 -4.60 5.12 2.85 -0.52 -4.69 118.16 121.76 1raa n LYS 56 Ca -0.12 -3.05 -0.27 0.00 -1.05 0.00 0.00 58.31 53.82 1raa n LYS 56 Cb 0.50 2.00 -0.11 0.00 -0.65 0.00 0.00 35.03 36.78 1raa n LYS 56 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1raa s ASP 57 N -3.18 3.71 -0.14 -5.58 1.01 -0.84 0.12 116.67 111.78 1raa s ASP 57 Ca 0.26 -1.36 -0.25 0.00 0.71 0.00 0.00 52.55 51.91 1raa s ASP 57 Cb 0.01 -0.36 0.06 0.00 1.01 0.00 0.00 42.92 43.64 1raa s ASP 57 CO 0.18 -0.46 0.62 -0.22 0.21 0.00 0.00 175.17 175.50 1raa s LEU 58 N -3.68 -0.38 -0.06 1.23 0.20 -0.11 -2.83 118.68 113.05 1raa s LEU 58 Ca 0.35 0.92 0.00 0.00 0.69 0.00 0.00 54.13 56.09 1raa s LEU 58 Cb 0.10 2.22 0.02 0.00 -0.43 0.00 0.00 46.19 48.10 1raa s LEU 58 CO 0.18 -0.40 -0.03 -0.63 -0.29 0.00 0.00 176.35 175.17 1raa s ILE 59 N -0.47 0.51 -0.24 6.68 1.01 -0.66 -1.63 121.20 126.40 1raa s ILE 59 Ca -0.06 -0.04 -0.01 0.00 0.00 0.00 0.00 60.65 60.54 1raa s ILE 59 Cb -0.03 -0.58 0.02 0.00 0.01 0.00 0.00 42.46 41.88 1raa s ILE 59 CO 0.05 0.25 -0.08 -0.54 0.00 0.00 0.00 174.94 174.61 1raa s LYS 60 N 1.36 2.90 -0.33 2.79 1.02 0.52 -1.52 119.74 126.48 1raa s LYS 60 Ca -0.04 -0.93 -0.04 0.00 0.02 0.00 0.00 55.97 54.99 1raa s LYS 60 Cb -0.13 -2.92 0.05 0.00 -0.52 0.00 0.00 37.83 34.30 1raa s LYS 60 CO -0.02 -0.35 0.06 0.42 -0.92 0.00 0.00 175.35 174.53 1raa s ILE 61 N 1.33 3.32 0.42 2.17 1.01 -0.23 -1.00 121.20 128.22 1raa s ILE 61 Ca 0.01 -1.36 -0.09 0.00 0.00 0.00 0.00 60.65 59.21 1raa s ILE 61 Cb -0.16 -2.93 -0.06 0.00 0.01 0.00 0.00 42.46 39.32 1raa s ILE 61 CO -0.06 -0.19 0.76 -1.83 0.00 0.00 0.00 174.94 173.62 1raa s GLU 62 N 1.30 3.71 0.00 2.79 -1.05 -1.15 -0.59 118.70 123.71 1raa s GLU 62 Ca -0.03 0.38 0.00 0.00 -0.15 0.00 0.00 54.97 55.18 1raa s GLU 62 Cb -0.20 -2.40 0.00 0.00 -0.44 0.00 0.00 34.13 31.09 1raa s GLU 62 CO 0.00 -0.07 0.00 0.09 0.95 0.00 0.00 175.26 176.24 1raa n ASN 63 N -1.51 -4.00 -4.27 0.83 5.03 0.09 -4.67 115.26 106.75 1raa n ASN 63 Ca 0.02 0.00 -0.31 0.00 0.87 0.00 0.00 54.58 55.15 1raa n ASN 63 Cb 0.54 -2.51 -0.16 0.00 -1.02 0.00 0.00 39.78 36.63 1raa n ASN 63 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 1raa s THR 64 N -1.38 2.03 -0.13 3.41 2.01 -1.26 -4.95 115.64 115.37 1raa s THR 64 Ca 0.00 -1.06 0.02 0.00 0.31 0.00 0.00 61.69 60.96 1raa s THR 64 Cb 0.00 -1.72 0.01 0.00 0.01 0.00 0.00 72.50 70.81 1raa s THR 64 CO 0.00 0.57 -0.20 -0.36 -0.69 0.00 0.00 174.62 173.94 1raa s PHE 65 N -0.20 2.46 0.07 4.92 0.08 -1.26 -2.33 117.98 121.72 1raa s PHE 65 Ca -0.02 -1.24 0.08 0.00 0.12 0.00 0.00 56.93 55.87 1raa s PHE 65 Cb -0.13 -1.70 -0.03 0.00 -0.57 0.00 0.00 43.02 40.58 1raa s PHE 65 CO 0.03 -0.58 -0.20 -0.48 -0.10 0.00 0.00 175.22 173.89 1raa s LEU 66 N 0.90 2.55 0.00 -0.37 0.05 -1.26 -5.08 118.68 115.47 1raa s LEU 66 Ca -0.06 -0.51 -0.15 0.00 0.05 0.00 0.00 54.13 53.46 1raa s LEU 66 Cb -0.15 -1.47 0.05 0.00 -2.05 0.00 0.00 46.19 42.57 1raa s LEU 66 CO -0.02 0.23 0.67 -1.20 -0.55 0.00 0.00 176.35 175.48 1raa n SER 67 N 1.31 -0.81 0.00 1.48 7.64 -1.26 -4.83 113.62 117.15 1raa n SER 67 Ca -0.16 -1.30 0.00 0.00 1.01 0.00 0.00 58.87 58.42 1raa n SER 67 Cb 0.52 1.29 0.00 0.00 -1.01 0.00 0.00 64.21 65.01 1raa n SER 67 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1raa n GLU 68 N -0.48 0.00 0.03 1.43 4.71 -1.26 -2.37 120.64 122.70 1raa n GLU 68 Ca 0.01 0.00 -0.01 0.00 -0.01 0.00 0.00 57.16 57.15 1raa n GLU 68 Cb 0.33 0.00 -0.08 0.00 -1.01 0.00 0.00 31.44 30.68 1raa n GLU 68 CO 0.00 0.00 0.00 0.38 0.09 0.00 0.00 177.13 177.60 1raa h ASP 69 N 0.00 0.00 -0.92 1.62 3.04 -1.99 -3.18 116.42 114.99 1raa h ASP 69 Ca 0.00 0.00 0.07 0.00 -3.24 0.00 0.00 57.03 53.86 1raa h ASP 69 Cb 0.00 0.00 -0.07 0.00 -1.04 0.00 0.00 39.33 38.22 1raa h ASP 69 CO 0.00 0.65 0.58 1.56 -2.04 0.00 0.00 179.24 179.98 1raa h GLN 70 N 0.00 1.00 -0.58 4.15 4.20 -1.85 0.13 115.11 122.16 1raa h GLN 70 Ca -0.16 -0.06 0.01 0.00 0.06 0.00 0.00 58.65 58.50 1raa h GLN 70 Cb 1.64 -0.23 -0.03 0.00 0.30 0.00 0.00 27.48 29.16 1raa h GLN 70 CO 0.06 0.66 0.38 0.28 -0.67 0.00 0.00 178.83 179.54 1raa h VAL 71 N 1.03 1.13 0.00 -0.54 2.07 -1.75 -2.48 116.25 115.71 1raa h VAL 71 Ca 0.41 -0.26 -0.11 0.00 0.82 0.00 0.00 66.70 67.56 1raa h VAL 71 Cb 0.22 0.31 -0.02 0.00 -1.52 0.00 0.00 31.29 30.28 1raa h VAL 71 CO -0.19 0.14 -0.51 0.44 0.02 0.00 0.00 177.57 177.46 1raa h ASP 72 N 0.75 0.00 0.56 0.57 3.32 -0.78 -2.66 116.42 118.18 1raa h ASP 72 Ca 0.22 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.26 1raa h ASP 72 Cb -0.04 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.50 1raa h ASP 72 CO -0.05 0.51 -0.06 -0.61 -1.72 0.00 0.00 179.24 177.32 1raa h GLN 73 N 0.00 0.00 0.00 3.56 5.75 -0.74 -2.04 115.11 121.64 1raa h GLN 73 Ca -0.01 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.49 1raa h GLN 73 Cb 1.29 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.84 1raa h GLN 73 CO 0.07 0.06 0.00 -0.07 -2.65 0.00 0.00 178.83 176.23 1raa h LEU 74 N 0.00 0.00 -1.47 -2.39 3.38 -1.45 -3.37 115.31 110.01 1raa h LEU 74 Ca -0.00 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 1raa h LEU 74 Cb 0.35 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 1raa h LEU 74 CO 0.01 0.00 0.06 0.00 0.09 0.00 0.00 178.44 178.60 1raa h ALA 75 N 2.31 1.58 0.00 1.53 0.00 -1.49 0.28 119.26 123.47 1raa h ALA 75 Ca 0.00 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 1raa h ALA 75 Cb 0.69 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1raa h ALA 75 CO 0.00 0.32 -0.19 -0.07 0.00 0.00 0.00 179.25 179.31 1raa h LEU 76 N 0.41 0.00 0.00 0.00 3.38 -1.80 -3.24 115.31 114.06 1raa h LEU 76 Ca 0.10 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.84 1raa h LEU 76 Cb 0.18 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.88 1raa h LEU 76 CO -0.00 0.19 -1.86 -1.22 0.09 0.00 0.00 178.44 175.64 1raa n TYR 77 N -3.69 0.00 -3.17 1.13 4.01 -0.98 -4.85 117.16 109.61 1raa n TYR 77 Ca -0.01 0.00 -0.19 0.00 -0.16 0.00 0.00 57.90 57.54 1raa n TYR 77 Cb 0.31 -0.60 -0.03 0.00 -0.31 0.00 0.00 39.34 38.70 1raa n TYR 77 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1raa n ALA 78 N -2.69 1.96 0.23 -0.72 0.00 0.94 -4.76 120.51 115.47 1raa n ALA 78 Ca -0.23 -3.31 0.12 0.00 0.00 0.00 0.00 53.44 50.02 1raa n ALA 78 Cb 0.85 -0.91 0.45 0.00 0.00 0.00 0.00 19.45 19.84 1raa n ALA 78 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1raa h PRO 79 N 3.25 0.00 -0.65 0.00 0.13 -1.70 -2.78 132.00 130.25 1raa h PRO 79 Ca 0.08 0.00 -0.45 0.00 -0.87 0.00 0.00 66.00 64.76 1raa h PRO 79 Cb 0.95 0.00 -0.30 0.00 0.13 0.00 0.00 31.00 31.78 1raa h PRO 79 CO 0.47 0.15 -0.33 1.04 -0.23 0.00 0.00 178.00 179.10 1raa n GLN 80 N -3.24 2.91 -3.55 0.86 6.02 -1.26 -4.34 117.38 114.77 1raa n GLN 80 Ca 0.01 -3.74 -0.20 0.00 -0.01 0.00 0.00 57.00 53.07 1raa n GLN 80 Cb 0.43 -2.13 -0.02 0.00 1.02 0.00 0.00 30.24 29.55 1raa n GLN 80 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1raa s ALA 81 N -3.54 4.12 0.11 -1.58 0.00 -1.05 -4.76 121.76 115.06 1raa s ALA 81 Ca 0.51 -1.57 0.11 0.00 0.00 0.00 0.00 51.96 51.01 1raa s ALA 81 Cb 0.42 -1.47 -0.04 0.00 0.00 0.00 0.00 23.12 22.04 1raa s ALA 81 CO 0.01 -0.05 -0.27 0.99 0.00 0.00 0.00 175.76 176.44 1raa s THR 82 N -2.25 2.22 -0.28 0.00 2.01 -0.18 -4.22 115.64 112.94 1raa s THR 82 Ca 0.45 -1.68 0.01 0.00 0.31 0.00 0.00 61.69 60.78 1raa s THR 82 Cb -0.08 -1.95 0.08 0.00 0.01 0.00 0.00 72.50 70.56 1raa s THR 82 CO 0.30 0.14 0.01 -0.69 -0.69 0.00 0.00 174.62 173.69 1raa s VAL 83 N -1.01 1.53 -0.03 3.82 1.01 0.14 -1.53 120.40 124.34 1raa s VAL 83 Ca 0.13 -1.55 -0.20 0.00 0.00 0.00 0.00 61.98 60.36 1raa s VAL 83 Cb -0.10 -1.98 -0.05 0.00 0.00 0.00 0.00 36.38 34.25 1raa s VAL 83 CO 0.05 -0.38 0.59 0.20 0.00 0.00 0.00 175.10 175.56 1raa s ASN 84 N 1.33 6.94 -0.13 3.32 0.01 0.63 -1.00 114.94 126.04 1raa s ASN 84 Ca 0.03 1.12 -0.00 0.00 -0.71 0.00 0.00 52.86 53.29 1raa s ASN 84 Cb -0.18 -2.36 -0.02 0.00 0.41 0.00 0.00 41.25 39.10 1raa s ASN 84 CO -0.12 0.07 -0.12 -0.60 -1.51 0.00 0.00 177.10 174.82 1raa s ARG 85 N 0.02 3.37 -0.03 -0.60 3.52 0.11 -0.42 118.95 124.92 1raa s ARG 85 Ca 0.31 -0.66 0.02 0.00 -0.13 0.00 0.00 55.73 55.28 1raa s ARG 85 Cb -0.18 -2.66 0.01 0.00 -1.56 0.00 0.00 34.95 30.56 1raa s ARG 85 CO 0.16 0.25 -0.09 0.42 -0.81 0.00 0.00 175.30 175.23 1raa s ILE 86 N 0.26 0.80 -0.03 4.11 1.09 -0.36 -1.20 121.20 125.88 1raa s ILE 86 Ca -0.08 -0.36 -0.00 0.00 -1.10 0.00 0.00 60.65 59.11 1raa s ILE 86 Cb -0.15 -0.72 0.03 0.00 -1.06 0.00 0.00 42.46 40.55 1raa s ILE 86 CO 0.05 0.26 0.04 -0.62 -0.10 0.00 0.00 174.94 174.57 1raa s ASP 87 N 0.29 0.06 -1.08 3.58 2.15 -0.08 -0.80 116.67 120.80 1raa s ASP 87 Ca -0.05 0.07 -0.18 0.00 0.43 0.00 0.00 52.55 52.82 1raa s ASP 87 Cb -0.10 -0.04 -0.01 0.00 -0.30 0.00 0.00 42.92 42.47 1raa s ASP 87 CO 0.01 -0.13 0.77 -3.20 -0.17 0.00 0.00 175.17 172.45 1raa n ASN 88 N 4.20 -5.50 0.00 -0.34 2.85 -1.26 -1.44 115.26 113.78 1raa n ASN 88 Ca -0.28 -0.94 0.00 0.00 -0.11 0.00 0.00 54.58 53.25 1raa n ASN 88 Cb 0.50 -3.38 0.00 0.00 1.24 0.00 0.00 39.78 38.14 1raa n ASN 88 CO 0.00 0.00 0.00 -1.22 -2.11 0.00 0.00 177.26 173.93 1raa n TYR 89 N -3.88 0.00 -4.74 1.20 4.01 -1.26 -4.93 117.16 107.56 1raa n TYR 89 Ca -0.10 0.00 -0.25 0.00 -0.16 0.00 0.00 57.90 57.39 1raa n TYR 89 Cb 0.59 -1.53 -0.16 0.00 -0.31 0.00 0.00 39.34 37.93 1raa n TYR 89 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 1raa s GLU 90 N -1.37 1.54 -1.05 -0.72 0.41 -0.52 -5.06 118.70 111.92 1raa s GLU 90 Ca 0.00 -0.54 -0.24 0.00 -0.41 0.00 0.00 54.97 53.78 1raa s GLU 90 Cb 0.00 -1.37 -0.10 0.00 -1.78 0.00 0.00 34.13 30.88 1raa s GLU 90 CO 0.00 0.24 2.00 0.08 -0.49 0.00 0.00 175.26 177.09 1raa s VAL 91 N -0.01 3.41 -2.00 2.63 1.01 -1.26 -0.90 120.40 123.28 1raa s VAL 91 Ca -0.02 -0.56 0.13 0.00 0.00 0.00 0.00 61.98 61.53 1raa s VAL 91 Cb -0.10 -4.19 0.37 0.00 0.00 0.00 0.00 36.38 32.46 1raa s VAL 91 CO 0.01 -0.78 1.33 0.55 0.00 0.00 0.00 175.10 176.21 1raa n VAL 92 N 8.07 0.00 -3.64 2.92 3.14 -0.34 -4.84 118.33 123.64 1raa n VAL 92 Ca 0.43 0.00 -0.09 0.00 -2.96 0.00 0.00 64.34 61.72 1raa n VAL 92 Cb 0.46 -0.37 -0.07 0.00 -1.06 0.00 0.00 33.84 32.80 1raa n VAL 92 CO 0.00 0.00 0.00 -0.83 -6.46 0.00 0.00 176.83 169.54 1raa s GLY 93 N -1.62 -0.15 -0.25 7.55 0.00 -0.94 -4.99 107.32 106.92 1raa s GLY 93 Ca 0.19 2.69 -0.03 0.00 0.00 0.00 0.00 44.72 47.57 1raa s GLY 93 CO 0.15 1.86 0.18 1.25 0.00 0.00 0.00 173.10 176.54 1raa s LYS 94 N 0.27 0.20 0.22 2.90 2.20 -1.26 0.10 119.74 124.36 1raa s LYS 94 Ca 0.03 -0.19 0.07 0.00 -0.36 0.00 0.00 55.97 55.51 1raa s LYS 94 Cb -0.05 -1.18 -0.04 0.00 -1.51 0.00 0.00 37.83 35.05 1raa s LYS 94 CO -0.07 -0.87 0.14 -1.12 -0.36 0.00 0.00 175.35 173.07 1raa s SER 95 N 2.22 5.34 0.12 1.43 0.01 -0.17 -4.89 113.70 117.76 1raa s SER 95 Ca 0.07 -0.27 0.10 0.00 1.31 0.00 0.00 55.95 57.17 1raa s SER 95 Cb -0.15 -1.32 -0.04 0.00 0.21 0.00 0.00 66.02 64.72 1raa s SER 95 CO -0.25 0.01 -0.25 -0.13 0.41 0.00 0.00 173.24 173.03 1raa s ARG 96 N -3.49 1.33 0.69 12.44 1.81 -1.26 0.25 118.95 130.72 1raa s ARG 96 Ca 0.31 -1.31 -0.11 0.00 -1.72 0.00 0.00 55.73 52.91 1raa s ARG 96 Cb -0.09 -1.77 0.00 0.00 -0.45 0.00 0.00 34.95 32.64 1raa s ARG 96 CO 0.23 0.42 1.06 -2.14 -0.68 0.00 0.00 175.30 174.19 1raa s PRO 97 N -2.03 3.03 0.04 3.54 0.02 -1.26 -4.94 135.00 133.41 1raa s PRO 97 Ca 0.12 0.71 0.03 0.00 0.02 0.00 0.00 61.00 61.88 1raa s PRO 97 Cb -0.10 -2.02 -0.02 0.00 0.02 0.00 0.00 34.50 32.38 1raa s PRO 97 CO 0.06 -0.97 -0.09 0.45 -0.33 0.00 0.00 177.00 176.11 1raa s SER 98 N -4.10 1.02 0.10 2.53 0.15 -1.26 -4.94 113.70 107.20 1raa s SER 98 Ca 0.57 -0.53 -0.31 0.00 0.70 0.00 0.00 55.95 56.38 1raa s SER 98 Cb -0.12 0.01 -0.10 0.00 -1.71 0.00 0.00 66.02 64.10 1raa s SER 98 CO 0.54 -0.16 1.89 -0.76 1.20 0.00 0.00 173.24 175.95 1raa s LEU 99 N -1.51 4.42 0.00 3.45 2.01 -1.26 -4.66 118.68 121.13 1raa s LEU 99 Ca -0.07 2.75 -0.17 0.00 0.01 0.00 0.00 54.13 56.65 1raa s LEU 99 Cb -0.09 -3.55 0.24 0.00 0.01 0.00 0.00 46.19 42.79 1raa s LEU 99 CO 0.01 -1.03 1.09 -0.81 1.01 0.00 0.00 176.35 176.61 1raa n PRO 100 N 6.36 -2.03 0.00 1.29 -0.04 -1.26 -4.99 135.00 134.33 1raa n PRO 100 Ca 0.19 -1.70 0.11 0.00 -0.04 0.00 0.00 63.50 62.05 1raa n PRO 100 Cb 0.39 -1.34 -0.04 0.00 -0.04 0.00 0.00 33.50 32.47 1raa n PRO 100 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1raa n GLU 101 N -4.00 0.06 -3.69 0.54 0.28 -1.26 -4.63 120.64 107.94 1raa n GLU 101 Ca 0.14 -0.01 -0.11 0.00 -0.16 0.00 0.00 57.16 57.02 1raa n GLU 101 Cb 0.52 -1.51 -0.10 0.00 1.43 0.00 0.00 31.44 31.78 1raa n GLU 101 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 177.13 177.47 1raa s ARG 102 N -3.04 0.49 -0.38 3.44 3.52 -1.26 -2.27 118.95 119.45 1raa s ARG 102 Ca 0.07 0.80 0.00 0.00 -0.13 0.00 0.00 55.73 56.48 1raa s ARG 102 Cb 0.16 0.10 0.11 0.00 -1.56 0.00 0.00 34.95 33.76 1raa s ARG 102 CO 0.83 -0.13 0.14 0.42 -0.81 0.00 0.00 175.30 175.76 1raa s ILE 103 N 1.03 2.86 0.59 4.11 1.01 -1.12 -4.97 121.20 124.72 1raa s ILE 103 Ca -0.06 -2.19 -0.09 0.00 0.00 0.00 0.00 60.65 58.30 1raa s ILE 103 Cb -0.06 -3.02 -0.03 0.00 0.01 0.00 0.00 42.46 39.36 1raa s ILE 103 CO -0.09 -0.66 0.96 -1.81 0.00 0.00 0.00 174.94 173.35 1raa s ASP 104 N 1.42 6.11 0.00 3.58 1.11 -1.26 -3.40 116.67 124.22 1raa s ASP 104 Ca 0.10 1.21 0.00 0.00 0.18 0.00 0.00 52.55 54.04 1raa s ASP 104 Cb -0.21 -2.30 0.00 0.00 1.07 0.00 0.00 42.92 41.48 1raa s ASP 104 CO -0.06 -0.86 0.00 0.59 1.18 0.00 0.00 175.17 176.03 1raa n ASN 105 N -2.64 0.00 0.03 0.27 3.02 0.20 -4.63 115.26 111.51 1raa n ASN 105 Ca 0.05 0.00 0.12 0.00 -0.03 0.00 0.00 54.58 54.71 1raa n ASN 105 Cb 0.55 0.00 0.17 0.00 -0.61 0.00 0.00 39.78 39.89 1raa n ASN 105 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1raa n VAL 106 N 0.00 0.18 -3.64 2.41 0.31 -1.26 -4.60 118.33 111.74 1raa n VAL 106 Ca 0.00 -0.17 -0.21 0.00 -0.01 0.00 0.00 64.34 63.95 1raa n VAL 106 Cb 0.00 0.08 -0.03 0.00 -0.91 0.00 0.00 33.84 32.98 1raa n VAL 106 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1raa s LEU 107 N -3.71 3.32 -0.04 7.52 1.43 -1.26 -5.12 118.68 120.83 1raa s LEU 107 Ca 0.07 -0.81 0.02 0.00 -1.03 0.00 0.00 54.13 52.38 1raa s LEU 107 Cb 0.15 -1.94 0.01 0.00 0.03 0.00 0.00 46.19 44.45 1raa s LEU 107 CO 0.73 -0.67 -0.07 -0.69 0.23 0.00 0.00 176.35 175.88 1raa s VAL 108 N -2.51 0.67 0.03 -1.59 1.01 -1.26 -4.77 120.40 111.99 1raa s VAL 108 Ca 0.47 -0.24 -0.30 0.00 0.00 0.00 0.00 61.98 61.91 1raa s VAL 108 Cb -0.02 -0.65 -0.07 0.00 0.00 0.00 0.00 36.38 35.63 1raa s VAL 108 CO 0.27 0.24 1.65 0.00 0.00 0.00 0.00 175.10 177.26 1raa n PRO 110 N 6.07 0.10 -2.69 0.00 -0.04 -1.26 -4.67 135.00 132.50 1raa n PRO 110 Ca 0.16 0.30 -0.43 0.00 -0.04 0.00 0.00 63.50 63.49 1raa n PRO 110 Cb 0.41 -1.67 -0.03 0.00 -0.04 0.00 0.00 33.50 32.17 1raa n PRO 110 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 1raa s ASN 111 N -3.61 6.63 0.05 3.54 2.47 -1.26 -4.90 114.94 117.87 1raa s ASN 111 Ca 0.07 0.44 0.14 0.00 0.42 0.00 0.00 52.86 53.93 1raa s ASN 111 Cb 0.10 -2.51 0.60 0.00 -1.45 0.00 0.00 41.25 37.99 1raa s ASN 111 CO 0.36 -1.11 1.44 -1.54 -3.72 0.00 0.00 177.10 172.53 1raa n SER 112 N 7.43 0.13 -0.78 -4.21 3.41 -1.26 -1.36 113.62 116.98 1raa n SER 112 Ca 0.10 0.54 0.13 0.00 -0.26 0.00 0.00 58.87 59.37 1raa n SER 112 Cb 0.49 -0.56 0.25 0.00 -0.26 0.00 0.00 64.21 64.13 1raa n SER 112 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1raa n ASN 113 N -1.64 2.44 -4.76 4.04 5.15 -1.26 -4.91 115.26 114.32 1raa n ASN 113 Ca 0.03 -1.81 -0.38 0.00 -0.60 0.00 0.00 54.58 51.82 1raa n ASN 113 Cb 0.15 0.01 0.03 0.00 -0.53 0.00 0.00 39.78 39.43 1raa n ASN 113 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1raa h ILE 115 N 1.50 0.86 -0.16 0.00 -0.00 -1.90 -3.33 117.51 114.48 1raa h ILE 115 Ca -0.50 -2.12 0.05 0.00 -0.00 0.00 0.00 64.86 62.28 1raa h ILE 115 Cb 1.29 2.35 -0.01 0.00 -0.00 0.00 0.00 36.82 40.45 1raa h ILE 115 CO 0.58 0.47 0.18 0.77 -0.00 0.00 0.00 178.15 180.15 1raa h SER 116 N 0.00 0.00 0.40 2.19 4.64 -1.95 -2.66 113.55 116.18 1raa h SER 116 Ca -0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 1raa h SER 116 Cb 1.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.41 1raa h SER 116 CO 0.06 0.00 -0.19 0.45 -0.87 0.00 0.00 176.83 176.28 1raa h HIS 117 N 0.00 -0.50 0.00 4.77 3.86 -1.96 -3.23 115.15 118.10 1raa h HIS 117 Ca 0.08 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.27 1raa h HIS 117 Cb 0.43 0.17 0.00 0.00 1.06 0.00 0.00 27.41 29.06 1raa h HIS 117 CO 0.00 -0.22 0.00 0.00 0.86 0.00 0.00 177.93 178.57 1raa n ALA 118 N -2.43 2.33 -2.15 2.45 0.00 -1.00 -4.94 120.51 114.76 1raa n ALA 118 Ca -0.11 -0.10 -0.10 0.00 0.00 0.00 0.00 53.44 53.13 1raa n ALA 118 Cb 0.27 -1.27 -0.10 0.00 0.00 0.00 0.00 19.45 18.35 1raa n ALA 118 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1raa s GLU 119 N -2.00 0.81 0.00 0.00 0.41 -1.22 -5.02 118.70 111.69 1raa s GLU 119 Ca 0.25 -1.34 -0.01 0.00 -0.41 0.00 0.00 54.97 53.46 1raa s GLU 119 Cb 0.11 -0.05 -0.04 0.00 -1.78 0.00 0.00 34.13 32.38 1raa s GLU 119 CO 0.19 -0.08 0.97 -0.35 -0.49 0.00 0.00 175.26 175.50 1raa n PRO 120 N -0.03 0.40 -4.29 0.39 -0.04 -1.26 -4.75 135.00 125.42 1raa n PRO 120 Ca -0.11 -0.15 -0.29 0.00 -0.04 0.00 0.00 63.50 62.90 1raa n PRO 120 Cb 0.61 -1.53 -0.11 0.00 -0.04 0.00 0.00 33.50 32.43 1raa n PRO 120 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1raa s VAL 121 N 2.13 2.92 0.13 0.52 -7.23 -1.26 -5.13 120.40 112.49 1raa s VAL 121 Ca 0.10 -1.48 -0.19 0.00 -1.81 0.00 0.00 61.98 58.60 1raa s VAL 121 Cb 0.05 -2.35 -0.07 0.00 0.56 0.00 0.00 36.38 34.57 1raa s VAL 121 CO 0.00 0.09 0.62 -0.44 -0.31 0.00 0.00 175.10 175.06 1raa s SER 122 N -2.18 7.05 0.68 4.85 0.01 -1.26 -5.02 113.70 117.83 1raa s SER 122 Ca 0.19 1.29 -0.15 0.00 1.31 0.00 0.00 55.95 58.59 1raa s SER 122 Cb -0.11 -2.37 0.01 0.00 0.21 0.00 0.00 66.02 63.77 1raa s SER 122 CO 0.11 0.19 1.14 -0.94 0.41 0.00 0.00 173.24 174.15 1raa s SER 123 N -1.34 4.79 -0.23 2.44 1.04 -1.26 -4.82 113.70 114.31 1raa s SER 123 Ca 0.34 2.13 -0.20 0.00 0.48 0.00 0.00 55.95 58.69 1raa s SER 123 Cb -0.18 -2.56 0.06 0.00 0.10 0.00 0.00 66.02 63.43 1raa s SER 123 CO 0.20 -1.85 0.61 -0.55 0.98 0.00 0.00 173.24 172.63 1raa s SER 124 N -2.38 -0.65 -0.08 7.02 0.15 -1.26 -0.63 113.70 115.87 1raa s SER 124 Ca 0.70 1.24 0.00 0.00 0.70 0.00 0.00 55.95 58.58 1raa s SER 124 Cb -0.23 1.24 0.02 0.00 -1.71 0.00 0.00 66.02 65.34 1raa s SER 124 CO 0.43 -0.21 -0.06 -0.36 1.20 0.00 0.00 173.24 174.23 1raa s PHE 125 N 0.45 1.12 0.18 3.44 0.40 -1.22 -1.29 117.98 121.05 1raa s PHE 125 Ca -0.01 -0.44 -0.30 0.00 -0.60 0.00 0.00 56.93 55.58 1raa s PHE 125 Cb -0.04 -0.96 -0.08 0.00 0.51 0.00 0.00 43.02 42.44 1raa s PHE 125 CO -0.01 -0.35 1.24 0.00 0.70 0.00 0.00 175.22 176.81 1raa s ALA 126 N 1.36 3.47 0.07 5.36 0.00 -0.03 -2.78 121.76 129.21 1raa s ALA 126 Ca -0.03 1.00 -0.02 0.00 0.00 0.00 0.00 51.96 52.91 1raa s ALA 126 Cb -0.14 -3.44 -0.05 0.00 0.00 0.00 0.00 23.12 19.50 1raa s ALA 126 CO -0.03 -0.44 0.26 0.08 0.00 0.00 0.00 175.76 175.63 1raa s VAL 127 N 0.13 5.32 0.18 0.00 1.01 -0.96 -1.41 120.40 124.67 1raa s VAL 127 Ca 0.55 -0.19 -0.18 0.00 0.00 0.00 0.00 61.98 62.16 1raa s VAL 127 Cb -0.34 -3.61 0.03 0.00 0.00 0.00 0.00 36.38 32.46 1raa s VAL 127 CO 0.36 0.15 0.51 0.00 0.00 0.00 0.00 175.10 176.12 1raa s ARG 128 N -2.41 1.31 -0.44 2.72 1.70 -0.14 -4.89 118.95 116.80 1raa s ARG 128 Ca 0.35 -0.80 -0.00 0.00 -0.47 0.00 0.00 55.73 54.81 1raa s ARG 128 Cb -0.13 0.52 0.00 0.00 -0.57 0.00 0.00 34.95 34.77 1raa s ARG 128 CO 0.25 -0.55 0.42 1.17 -1.08 0.00 0.00 175.30 175.51 1raa n LYS 129 N -0.32 -0.81 -1.56 3.89 4.81 -1.26 -1.87 118.16 121.03 1raa n LYS 129 Ca -0.12 1.11 -0.53 0.00 -0.87 0.00 0.00 58.31 57.90 1raa n LYS 129 Cb 0.63 -4.06 -0.06 0.00 0.02 0.00 0.00 35.03 31.56 1raa n LYS 129 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1raa n ARG 130 N -1.43 0.84 0.00 1.64 5.12 -1.26 -3.42 116.66 118.14 1raa n ARG 130 Ca 0.00 0.30 0.00 0.00 -1.93 0.00 0.00 57.85 56.22 1raa n ARG 130 Cb 0.49 -1.87 0.00 0.00 -1.16 0.00 0.00 32.46 29.92 1raa n ARG 130 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1raa n ALA 131 N 2.04 0.00 0.28 7.54 0.00 -1.26 -4.45 120.51 124.65 1raa n ALA 131 Ca 0.18 0.00 0.17 0.00 0.00 0.00 0.00 53.44 53.79 1raa n ALA 131 Cb 0.17 -0.01 0.70 0.00 0.00 0.00 0.00 19.45 20.31 1raa n ALA 131 CO 0.00 0.00 0.00 -2.95 0.00 0.00 0.00 177.50 174.55 1raa h ASN 132 N 0.00 0.00 0.00 0.00 7.08 -2.00 -3.45 115.58 117.21 1raa h ASN 132 Ca 0.00 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.22 1raa h ASN 132 Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.24 1raa h ASN 132 CO 0.00 0.02 0.00 0.47 -2.08 0.00 0.00 177.43 175.84 1raa n ASP 133 N -3.12 0.00 -3.12 6.14 9.92 -1.24 -5.16 116.55 119.97 1raa n ASP 133 Ca 0.00 0.00 -0.41 0.00 -0.53 0.00 0.00 54.79 53.85 1raa n ASP 133 Cb 0.30 0.00 -0.06 0.00 -0.64 0.00 0.00 41.12 40.72 1raa n ASP 133 CO 0.00 0.00 0.00 -0.38 0.13 0.00 0.00 177.20 176.95 1raa n ILE 134 N 0.14 0.00 -4.48 0.53 2.08 -1.22 -4.90 119.36 111.51 1raa n ILE 134 Ca 0.00 0.00 -0.31 0.00 0.56 0.00 0.00 62.75 63.00 1raa n ILE 134 Cb 0.00 -0.02 -0.11 0.00 -0.75 0.00 0.00 39.64 38.76 1raa n ILE 134 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1raa s ALA 135 N 0.10 2.89 -0.08 -1.39 0.00 -0.78 -1.26 121.76 121.24 1raa s ALA 135 Ca 0.63 -1.10 0.01 0.00 0.00 0.00 0.00 51.96 51.51 1raa s ALA 135 Cb -0.89 -0.99 0.02 0.00 0.00 0.00 0.00 23.12 21.26 1raa s ALA 135 CO 0.40 0.61 -0.11 -0.51 0.00 0.00 0.00 175.76 176.15 1raa s LEU 136 N -1.54 1.51 -0.18 0.00 1.43 -0.61 -0.96 118.68 118.32 1raa s LEU 136 Ca 0.17 -0.29 -0.02 0.00 -1.03 0.00 0.00 54.13 52.96 1raa s LEU 136 Cb -0.11 -0.81 -0.00 0.00 0.03 0.00 0.00 46.19 45.30 1raa s LEU 136 CO 0.08 -0.01 -0.10 -0.75 0.23 0.00 0.00 176.35 175.79 1raa s LYS 137 N 0.96 3.30 0.29 1.70 2.20 -0.50 -1.05 119.74 126.64 1raa s LYS 137 Ca -0.09 -0.69 -0.29 0.00 -0.36 0.00 0.00 55.97 54.54 1raa s LYS 137 Cb -0.15 -2.80 -0.10 0.00 -1.51 0.00 0.00 37.83 33.28 1raa s LYS 137 CO 0.00 -0.07 1.27 0.00 -0.36 0.00 0.00 175.35 176.19 1raa h LYS 139 N 3.95 0.66 0.00 0.00 3.64 -1.56 -2.39 116.57 120.87 1raa h LYS 139 Ca -0.47 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 58.87 1raa h LYS 139 Cb 1.22 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.89 1raa h LYS 139 CO 0.69 0.43 -0.18 1.88 -2.27 0.00 0.00 179.45 180.00 1raa h TYR 140 N 0.68 0.00 -0.00 1.91 0.05 -1.91 -3.40 116.97 114.30 1raa h TYR 140 Ca 0.34 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.12 1raa h TYR 140 Cb 0.30 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.04 1raa h TYR 140 CO -0.09 0.00 -0.07 0.00 -1.05 0.00 0.00 178.16 176.95 1raa n GLU 142 N -1.41 -3.70 -3.74 0.00 1.02 -0.90 -4.98 120.64 106.92 1raa n GLU 142 Ca 0.09 0.64 -0.37 0.00 -0.02 0.00 0.00 57.16 57.50 1raa n GLU 142 Cb 0.32 -5.39 -0.06 0.00 -0.02 0.00 0.00 31.44 26.29 1raa n GLU 142 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1raa s LYS 143 N -5.76 3.63 -0.20 3.49 -0.14 -1.26 -4.82 119.74 114.67 1raa s LYS 143 Ca 0.31 0.06 -0.07 0.00 -1.36 0.00 0.00 55.97 54.91 1raa s LYS 143 Cb -0.15 -3.21 -0.04 0.00 -1.68 0.00 0.00 37.83 32.75 1raa s LYS 143 CO 0.38 0.73 0.05 -2.00 -0.76 0.00 0.00 175.35 173.76 1raa s GLU 144 N -1.00 3.82 0.36 1.68 2.12 -1.26 -1.96 118.70 122.45 1raa s GLU 144 Ca 0.18 -0.41 0.07 0.00 0.36 0.00 0.00 54.97 55.16 1raa s GLU 144 Cb -0.14 -3.22 -0.07 0.00 0.26 0.00 0.00 34.13 30.96 1raa s GLU 144 CO 0.07 0.10 -0.01 -0.06 -0.54 0.00 0.00 175.26 174.82 1raa s PHE 145 N 0.83 2.30 0.21 5.30 0.08 -0.21 -4.93 117.98 121.55 1raa s PHE 145 Ca 0.03 -0.70 -0.26 0.00 0.12 0.00 0.00 56.93 56.12 1raa s PHE 145 Cb -0.14 -1.50 -0.08 0.00 -0.57 0.00 0.00 43.02 40.73 1raa s PHE 145 CO 0.02 0.36 0.83 0.45 -0.10 0.00 0.00 175.22 176.78 1raa s SER 146 N -3.60 7.42 0.25 1.36 0.15 -1.26 -1.57 113.70 116.45 1raa s SER 146 Ca 0.34 1.72 -0.03 0.00 0.70 0.00 0.00 55.95 58.68 1raa s SER 146 Cb 0.07 -2.53 0.44 0.00 -1.71 0.00 0.00 66.02 62.29 1raa s SER 146 CO 0.16 0.15 1.80 1.12 1.20 0.00 0.00 173.24 177.68 1raa h HIS 147 N 4.06 0.87 -0.82 3.44 2.07 -1.52 0.17 115.15 123.42 1raa h HIS 147 Ca -0.47 0.03 0.05 0.00 -2.85 0.00 0.00 60.37 57.13 1raa h HIS 147 Cb 1.20 -0.26 -0.05 0.00 2.57 0.00 0.00 27.41 30.87 1raa h HIS 147 CO 0.63 0.33 0.54 -2.95 -3.07 0.00 0.00 177.93 173.40 1raa h ASN 148 N 0.78 0.84 -0.38 3.10 -1.07 -1.93 -0.39 115.58 116.53 1raa h ASN 148 Ca 0.42 -0.00 -0.06 0.00 0.07 0.00 0.00 56.30 56.73 1raa h ASN 148 Cb 0.43 -0.19 -0.01 0.00 -2.07 0.00 0.00 38.32 36.48 1raa h ASN 148 CO -0.27 0.56 0.01 0.58 0.07 0.00 0.00 177.43 178.38 1raa h VAL 149 N 0.97 1.26 -0.14 6.14 2.07 -1.05 -2.47 116.25 123.02 1raa h VAL 149 Ca 0.34 -0.98 -0.06 0.00 0.82 0.00 0.00 66.70 66.82 1raa h VAL 149 Cb 0.11 1.14 -0.01 0.00 -1.52 0.00 0.00 31.29 31.01 1raa h VAL 149 CO -0.11 0.33 -0.17 0.58 0.02 0.00 0.00 177.57 178.22 1raa h VAL 150 N 0.50 1.20 -0.02 2.57 2.07 -0.64 -2.13 116.25 119.79 1raa h VAL 150 Ca 0.11 -0.88 0.00 0.00 0.82 0.00 0.00 66.70 66.75 1raa h VAL 150 Cb 0.46 1.28 0.00 0.00 -1.52 0.00 0.00 31.29 31.50 1raa h VAL 150 CO 0.02 0.27 0.00 0.18 0.02 0.00 0.00 177.57 178.06 1raa n LEU 151 N -4.24 0.23 -0.04 2.57 4.77 -0.44 -3.66 117.00 116.19 1raa n LEU 151 Ca -0.01 -0.09 0.00 0.00 -0.03 0.00 0.00 56.01 55.88 1raa n LEU 151 Cb 0.30 -0.01 -0.12 0.00 -2.33 0.00 0.00 43.42 41.25 1raa n LEU 151 CO 0.38 0.05 -0.85 0.00 -1.33 0.00 0.00 177.39 175.64 1raa n ALA 152 N -0.66 2.11 0.00 -1.18 0.00 -0.80 -5.00 120.51 114.98 1raa n ALA 152 Ca 0.15 -0.70 0.00 0.00 0.00 0.00 0.00 53.44 52.89 1raa n ALA 152 Cb 0.11 -0.32 0.00 0.00 0.00 0.00 0.00 19.45 19.24 1raa n ALA 152 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79