#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2r0j n PRO 3 N 0.00 1.75 -0.33 0.38 -0.02 -1.26 -4.84 135.00 130.68 2r0j n PRO 3 Ca 0.00 0.62 -0.00 0.00 -2.02 0.00 0.00 63.50 62.09 2r0j n PRO 3 Cb 0.00 -2.13 0.17 0.00 -0.02 0.00 0.00 33.50 31.51 2r0j n PRO 3 CO 0.00 0.00 0.00 0.07 1.98 0.00 0.00 175.50 177.55 2r0j h ARG 4 N 2.82 1.19 -0.93 -0.52 0.11 -2.05 -1.73 114.38 113.28 2r0j h ARG 4 Ca -0.43 -0.07 0.06 0.00 0.10 0.00 0.00 59.98 59.64 2r0j h ARG 4 Cb 1.31 -0.27 -0.06 0.00 1.11 0.00 0.00 29.97 32.06 2r0j h ARG 4 CO 0.66 0.78 0.60 -0.09 0.10 0.00 0.00 179.97 182.02 2r0j h ARG 5 N 1.22 1.04 -0.35 0.08 2.43 -2.00 -1.67 114.38 115.13 2r0j h ARG 5 Ca 0.35 -0.06 -0.15 0.00 -0.81 0.00 0.00 59.98 59.31 2r0j h ARG 5 Cb -0.08 -0.24 -0.00 0.00 -0.42 0.00 0.00 29.97 29.23 2r0j h ARG 5 CO -0.09 0.69 -0.38 0.82 -1.51 0.00 0.00 179.97 179.50 2r0j h ILE 6 N 1.07 1.28 -0.45 1.20 2.04 -1.70 -0.53 117.51 120.42 2r0j h ILE 6 Ca 0.39 -1.56 0.06 0.00 1.00 0.00 0.00 64.86 64.76 2r0j h ILE 6 Cb 0.17 1.46 -0.05 0.00 -0.74 0.00 0.00 36.82 37.66 2r0j h ILE 6 CO -0.15 0.52 0.13 0.74 0.00 0.00 0.00 178.15 179.39 2r0j h THR 7 N 0.68 0.82 0.15 -0.27 2.02 -1.09 0.01 112.91 115.23 2r0j h THR 7 Ca 0.05 -0.10 0.01 0.00 0.77 0.00 0.00 66.41 67.14 2r0j h THR 7 Cb 0.98 0.51 -0.02 0.00 -1.74 0.00 0.00 68.15 67.88 2r0j h THR 7 CO 0.09 0.05 -0.16 0.50 0.37 0.00 0.00 175.52 176.38 2r0j h LYS 8 N 0.29 -0.33 -0.77 6.66 3.64 -1.01 -1.28 116.57 123.77 2r0j h LYS 8 Ca 0.21 0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.64 2r0j h LYS 8 Cb 0.24 0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 32.09 2r0j h LYS 8 CO -0.24 -0.22 0.49 0.93 -2.27 0.00 0.00 179.45 178.14 2r0j h GLU 9 N -0.34 0.95 -0.02 1.90 5.08 -0.94 -1.00 114.58 120.20 2r0j h GLU 9 Ca 0.01 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.31 2r0j h GLU 9 Cb 0.33 -0.21 -0.00 0.00 0.50 0.00 0.00 28.75 29.36 2r0j h GLU 9 CO -0.05 0.63 0.01 1.15 -1.00 0.00 0.00 179.01 179.74 2r0j h THR 10 N 0.98 1.14 -0.61 1.13 2.02 -0.73 -1.52 112.91 115.31 2r0j h THR 10 Ca 0.30 -0.42 0.04 0.00 0.77 0.00 0.00 66.41 67.10 2r0j h THR 10 Cb -0.02 1.39 -0.04 0.00 -1.74 0.00 0.00 68.15 67.74 2r0j h THR 10 CO -0.10 0.11 0.36 1.56 0.37 0.00 0.00 175.52 177.83 2r0j h GLN 11 N -0.14 0.68 -0.53 6.66 4.20 -1.06 -1.48 115.11 123.43 2r0j h GLN 11 Ca 0.01 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.66 2r0j h GLN 11 Cb 0.18 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 27.78 2r0j h GLN 11 CO -0.00 0.45 0.29 -0.97 -0.67 0.00 0.00 178.83 177.92 2r0j h ASN 12 N 0.70 0.66 0.19 1.46 -1.24 -1.01 0.92 115.58 117.26 2r0j h ASN 12 Ca 0.26 -0.10 -0.10 0.00 0.71 0.00 0.00 56.30 57.07 2r0j h ASN 12 Cb 0.08 -0.17 -0.01 0.00 0.73 0.00 0.00 38.32 38.95 2r0j h ASN 12 CO -0.13 0.57 -0.38 -0.07 -1.29 0.00 0.00 177.43 176.13 2r0j h LEU 13 N 0.71 0.28 0.03 0.34 3.38 -1.09 0.58 115.31 119.54 2r0j h LEU 13 Ca 0.19 -0.11 -0.28 0.00 0.09 0.00 0.00 57.88 57.77 2r0j h LEU 13 Cb 0.05 -0.08 0.02 0.00 0.09 0.00 0.00 40.66 40.75 2r0j h LEU 13 CO -0.03 0.64 -1.12 0.00 0.09 0.00 0.00 178.44 178.03 2r0j h ALA 14 N 1.38 0.10 0.01 1.53 0.00 -0.98 -3.15 119.26 118.14 2r0j h ALA 14 Ca 0.02 -0.73 -0.29 0.00 0.00 0.00 0.00 54.91 53.92 2r0j h ALA 14 Cb 0.78 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.60 2r0j h ALA 14 CO 0.06 0.70 -1.62 -0.91 0.00 0.00 0.00 179.25 177.48 2r0j h ASN 15 N 0.34 0.04 -1.62 0.00 2.35 -0.76 -3.40 115.58 112.52 2r0j h ASN 15 Ca -0.15 -0.07 -0.46 0.00 -0.55 0.00 0.00 56.30 55.06 2r0j h ASN 15 Cb 1.78 -0.01 -0.40 0.00 0.05 0.00 0.00 38.32 39.73 2r0j h ASN 15 CO 0.22 1.06 -1.08 -0.62 -1.65 0.00 0.00 177.43 175.36 2r0j n GLU 16 N -3.12 1.60 -1.75 0.81 -0.58 0.19 -5.07 120.64 112.71 2r0j n GLU 16 Ca -0.15 -3.65 -0.35 0.00 -0.42 0.00 0.00 57.16 52.59 2r0j n GLU 16 Cb 1.04 -1.67 0.06 0.00 -0.57 0.00 0.00 31.44 30.30 2r0j n GLU 16 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 2r0j s PRO 17 N -2.94 2.61 0.55 3.49 0.04 -1.19 -4.71 135.00 132.85 2r0j s PRO 17 Ca 0.37 1.77 -0.21 0.00 0.04 0.00 0.00 61.00 62.98 2r0j s PRO 17 Cb 0.39 -1.89 -0.05 0.00 0.04 0.00 0.00 34.50 32.99 2r0j s PRO 17 CO -0.06 -1.48 1.26 -2.14 0.04 0.00 0.00 177.00 174.62 2r0j s PRO 18 N -3.63 3.20 0.22 0.56 0.02 -1.26 -4.90 135.00 129.21 2r0j s PRO 18 Ca 0.76 1.98 -0.32 0.00 0.02 0.00 0.00 61.00 63.44 2r0j s PRO 18 Cb -0.29 -2.16 -0.14 0.00 0.02 0.00 0.00 34.50 31.92 2r0j s PRO 18 CO 0.39 -1.06 1.27 -2.30 -0.33 0.00 0.00 177.00 174.96 2r0j n PRO 19 N -1.13 1.60 -0.60 5.54 -0.02 -1.26 -1.72 135.00 137.42 2r0j n PRO 19 Ca 0.11 0.57 0.00 0.00 -2.02 0.00 0.00 63.50 62.16 2r0j n PRO 19 Cb 0.47 -2.13 0.00 0.00 -0.02 0.00 0.00 33.50 31.82 2r0j n PRO 19 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2r0j n GLY 20 N 1.98 1.29 3.18 -1.23 0.00 -1.26 -5.00 105.19 104.16 2r0j n GLY 20 Ca 0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 2r0j n GLY 20 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2r0j s ILE 21 N -3.41 1.78 -0.02 -0.61 1.01 -0.70 -0.68 121.20 118.57 2r0j s ILE 21 Ca 0.00 -0.88 0.06 0.00 0.00 0.00 0.00 60.65 59.82 2r0j s ILE 21 Cb 0.00 -1.54 -0.01 0.00 0.01 0.00 0.00 42.46 40.92 2r0j s ILE 21 CO 0.00 0.50 -0.19 -0.04 0.00 0.00 0.00 174.94 175.20 2r0j s MET 22 N 0.18 1.69 -0.08 2.79 -1.94 0.15 -4.32 119.30 117.78 2r0j s MET 22 Ca -0.11 -0.70 -0.03 0.00 -1.71 0.00 0.00 55.69 53.15 2r0j s MET 22 Cb -0.15 -1.58 0.04 0.00 2.01 0.00 0.00 34.83 35.15 2r0j s MET 22 CO 0.05 0.39 0.06 0.00 -0.01 0.00 0.00 175.02 175.51 2r0j s ALA 23 N -0.35 0.35 -0.02 3.03 0.00 -1.26 -0.90 121.76 122.61 2r0j s ALA 23 Ca 0.05 0.03 0.01 0.00 0.00 0.00 0.00 51.96 52.05 2r0j s ALA 23 Cb -0.09 -0.74 0.01 0.00 0.00 0.00 0.00 23.12 22.31 2r0j s ALA 23 CO 0.00 -0.65 -0.04 0.54 0.00 0.00 0.00 175.76 175.61 2r0j s VAL 24 N 2.13 0.43 0.68 0.00 0.11 -0.40 -4.45 120.40 118.90 2r0j s VAL 24 Ca 0.04 -0.15 -0.17 0.00 -2.93 0.00 0.00 61.98 58.77 2r0j s VAL 24 Cb -0.13 -0.42 0.01 0.00 -1.53 0.00 0.00 36.38 34.31 2r0j s VAL 24 CO -0.05 0.16 1.23 -2.84 -3.33 0.00 0.00 175.10 170.27 2r0j s PRO 25 N 0.37 2.42 0.17 1.54 0.02 -1.26 -0.35 135.00 137.91 2r0j s PRO 25 Ca -0.04 1.84 -0.30 0.00 0.02 0.00 0.00 61.00 62.52 2r0j s PRO 25 Cb -0.08 -1.86 -0.07 0.00 0.02 0.00 0.00 34.50 32.51 2r0j s PRO 25 CO -0.00 -1.64 1.11 0.08 -0.33 0.00 0.00 177.00 176.22 2r0j s VAL 26 N -1.76 3.87 0.11 3.83 1.01 0.15 -4.76 120.40 122.85 2r0j s VAL 26 Ca 0.77 1.58 -0.36 0.00 0.00 0.00 0.00 61.98 63.98 2r0j s VAL 26 Cb -0.31 -4.01 -0.16 0.00 0.00 0.00 0.00 36.38 31.89 2r0j s VAL 26 CO 0.41 0.26 1.31 -2.65 0.00 0.00 0.00 175.10 174.43 2r0j n PRO 27 N 2.51 1.18 -1.28 2.72 -0.02 -1.26 -1.68 135.00 137.17 2r0j n PRO 27 Ca 0.03 0.43 -0.11 0.00 -2.02 0.00 0.00 63.50 61.82 2r0j n PRO 27 Cb 0.46 -2.04 -0.05 0.00 -0.02 0.00 0.00 33.50 31.85 2r0j n PRO 27 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2r0j n GLU 28 N 2.38 -1.63 -3.45 -0.52 1.02 -1.26 -4.91 120.64 112.27 2r0j n GLU 28 Ca 0.18 0.84 -0.27 0.00 -0.02 0.00 0.00 57.16 57.88 2r0j n GLU 28 Cb 0.21 -5.15 -0.10 0.00 -0.02 0.00 0.00 31.44 26.38 2r0j n GLU 28 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2r0j n ASN 29 N -0.87 -0.05 0.25 1.62 3.02 -0.68 -5.00 115.26 113.55 2r0j n ASN 29 Ca -0.11 -2.48 0.17 0.00 -0.03 0.00 0.00 54.58 52.13 2r0j n ASN 29 Cb 0.54 -0.58 0.85 0.00 -0.61 0.00 0.00 39.78 39.98 2r0j n ASN 29 CO 0.00 0.00 0.00 0.10 -2.62 0.00 0.00 177.26 174.74 2r0j h TYR 30 N 5.58 0.00 -0.00 3.10 -0.00 -1.91 -1.72 116.97 122.02 2r0j h TYR 30 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.98 2r0j h TYR 30 Cb 0.89 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.62 2r0j h TYR 30 CO 0.31 0.00 -0.38 0.54 -0.00 0.00 0.00 178.16 178.64 2r0j n ARG 31 N -2.75 0.00 -4.64 0.10 1.74 -1.26 -4.85 116.66 105.00 2r0j n ARG 31 Ca -0.01 -0.00 -0.34 0.00 -0.77 0.00 0.00 57.85 56.73 2r0j n ARG 31 Cb 0.13 -1.50 -0.12 0.00 -1.02 0.00 0.00 32.46 29.95 2r0j n ARG 31 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 2r0j s HIS 32 N -3.00 2.90 0.01 -1.55 2.46 -0.65 0.20 115.29 115.67 2r0j s HIS 32 Ca 0.12 -0.19 0.05 0.00 0.47 0.00 0.00 55.06 55.51 2r0j s HIS 32 Cb 0.18 -1.78 -0.02 0.00 -0.13 0.00 0.00 32.58 30.83 2r0j s HIS 32 CO 0.66 0.14 -0.15 -0.06 -2.47 0.00 0.00 174.74 172.86 2r0j s PHE 33 N -0.34 1.31 -0.20 3.88 0.08 0.48 0.32 117.98 123.51 2r0j s PHE 33 Ca 0.04 -0.29 -0.13 0.00 0.12 0.00 0.00 56.93 56.68 2r0j s PHE 33 Cb -0.12 -0.82 -0.05 0.00 -0.57 0.00 0.00 43.02 41.46 2r0j s PHE 33 CO 0.02 0.01 0.27 -0.80 -0.10 0.00 0.00 175.22 174.62 2r0j s ASN 34 N -0.66 6.31 0.01 1.36 0.02 0.52 -1.35 114.94 121.16 2r0j s ASN 34 Ca 0.04 0.35 0.09 0.00 -1.02 0.00 0.00 52.86 52.32 2r0j s ASN 34 Cb -0.07 -2.16 -0.02 0.00 0.02 0.00 0.00 41.25 39.02 2r0j s ASN 34 CO 0.00 0.04 -0.26 -0.63 0.02 0.00 0.00 177.10 176.27 2r0j s ILE 35 N 0.93 2.09 -0.10 0.60 1.01 -0.06 -1.27 121.20 124.40 2r0j s ILE 35 Ca 0.14 -1.25 0.03 0.00 0.00 0.00 0.00 60.65 59.57 2r0j s ILE 35 Cb -0.14 -1.76 0.01 0.00 0.01 0.00 0.00 42.46 40.58 2r0j s ILE 35 CO 0.05 0.47 -0.20 -0.76 0.00 0.00 0.00 174.94 174.49 2r0j s LEU 36 N -0.93 1.96 -0.11 2.97 1.43 -0.07 -1.05 118.68 122.88 2r0j s LEU 36 Ca 0.11 -0.49 0.03 0.00 -1.03 0.00 0.00 54.13 52.74 2r0j s LEU 36 Cb -0.10 -1.25 0.01 0.00 0.03 0.00 0.00 46.19 44.87 2r0j s LEU 36 CO 0.01 0.11 -0.21 -0.63 0.23 0.00 0.00 176.35 175.86 2r0j s ILE 37 N 0.53 1.86 0.24 -0.59 1.01 -0.12 -0.67 121.20 123.46 2r0j s ILE 37 Ca -0.15 -0.88 -0.30 0.00 0.00 0.00 0.00 60.65 59.32 2r0j s ILE 37 Cb -0.17 -1.64 -0.09 0.00 0.01 0.00 0.00 42.46 40.57 2r0j s ILE 37 CO 0.05 0.51 1.12 0.20 0.00 0.00 0.00 174.94 176.83 2r0j s ASN 38 N 0.63 7.23 0.27 3.58 0.01 0.15 -0.45 114.94 126.36 2r0j s ASN 38 Ca -0.13 2.22 -0.31 0.00 -0.71 0.00 0.00 52.86 53.94 2r0j s ASN 38 Cb -0.16 -2.62 -0.12 0.00 0.41 0.00 0.00 41.25 38.76 2r0j s ASN 38 CO 0.03 -0.20 1.64 -0.83 -1.51 0.00 0.00 177.10 176.23 2r0j s GLY 39 N -0.52 1.81 0.46 0.66 0.00 0.13 -4.93 107.32 104.93 2r0j s GLY 39 Ca 0.47 1.59 -0.23 0.00 0.00 0.00 0.00 44.72 46.55 2r0j s GLY 39 CO 0.39 2.67 1.21 -4.14 0.00 0.00 0.00 173.10 173.23 2r0j s PRO 40 N 0.03 3.70 0.49 2.90 0.02 -1.26 -4.19 135.00 136.70 2r0j s PRO 40 Ca 0.67 1.89 -0.22 0.00 0.02 0.00 0.00 61.00 63.36 2r0j s PRO 40 Cb -0.49 -2.43 -0.08 0.00 0.02 0.00 0.00 34.50 31.52 2r0j s PRO 40 CO 0.43 -0.63 1.07 -0.25 -0.33 0.00 0.00 177.00 177.29 2r0j n ASP 41 N -0.47 1.45 0.00 2.53 8.00 -1.26 -2.83 116.55 123.96 2r0j n ASP 41 Ca 0.07 0.96 0.00 0.00 0.71 0.00 0.00 54.79 56.54 2r0j n ASP 41 Cb 0.47 -1.41 0.00 0.00 -0.02 0.00 0.00 41.12 40.16 2r0j n ASP 41 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2r0j n GLY 42 N 1.11 0.61 3.47 0.44 0.00 -1.26 -4.97 105.19 104.59 2r0j n GLY 42 Ca 0.10 -0.06 -0.22 0.00 0.00 0.00 0.00 46.02 45.84 2r0j n GLY 42 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2r0j s THR 43 N -2.00 1.53 -0.53 2.61 -4.23 -1.13 -5.01 115.64 106.88 2r0j s THR 43 Ca 0.00 -2.06 0.19 0.00 -1.18 0.00 0.00 61.69 58.64 2r0j s THR 43 Cb 0.00 -2.66 0.19 0.00 1.34 0.00 0.00 72.50 71.37 2r0j s THR 43 CO 0.00 -0.14 1.58 -0.81 -0.54 0.00 0.00 174.62 174.70 2r0j n PRO 44 N -0.68 0.13 0.00 3.99 -0.04 -1.26 -1.82 135.00 135.32 2r0j n PRO 44 Ca -0.04 0.47 0.14 0.00 -0.04 0.00 0.00 63.50 64.03 2r0j n PRO 44 Cb 0.65 -1.80 0.54 0.00 -0.04 0.00 0.00 33.50 32.85 2r0j n PRO 44 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2r0j n TYR 45 N -2.05 0.00 -1.66 0.54 4.01 -1.26 -4.12 117.16 112.62 2r0j n TYR 45 Ca 0.01 0.00 -0.46 0.00 -0.16 0.00 0.00 57.90 57.29 2r0j n TYR 45 Cb 0.13 -0.04 -0.04 0.00 -0.31 0.00 0.00 39.34 39.08 2r0j n TYR 45 CO 0.00 0.00 0.00 -1.91 -0.46 0.00 0.00 176.86 174.49 2r0j n GLU 46 N -0.21 2.05 0.00 -0.72 2.13 -0.75 -1.15 120.64 122.00 2r0j n GLU 46 Ca 0.18 0.74 0.00 0.00 0.66 0.00 0.00 57.16 58.73 2r0j n GLU 46 Cb 0.32 -2.47 0.00 0.00 0.27 0.00 0.00 31.44 29.56 2r0j n GLU 46 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2r0j n GLY 47 N 3.08 2.34 3.91 8.31 0.00 -1.26 -4.99 105.19 116.57 2r0j n GLY 47 Ca 0.16 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.90 2r0j n GLY 47 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2r0j s GLY 48 N -2.12 1.66 -0.08 -0.02 0.00 -0.30 -4.85 107.32 101.62 2r0j s GLY 48 Ca 0.00 -0.56 0.04 0.00 0.00 0.00 0.00 44.72 44.20 2r0j s GLY 48 CO 0.00 -0.43 -0.19 -1.59 0.00 0.00 0.00 173.10 170.89 2r0j s THR 49 N -2.36 1.65 -0.18 0.90 2.01 0.15 -0.70 115.64 117.12 2r0j s THR 49 Ca 0.45 -0.80 -0.04 0.00 0.31 0.00 0.00 61.69 61.61 2r0j s THR 49 Cb -0.10 -1.44 -0.03 0.00 0.01 0.00 0.00 72.50 70.94 2r0j s THR 49 CO 0.35 0.47 -0.02 -0.31 -0.69 0.00 0.00 174.62 174.42 2r0j s TYR 50 N 0.35 3.03 -0.05 4.92 2.02 0.40 -4.69 117.35 123.33 2r0j s TYR 50 Ca -0.14 -0.39 -0.20 0.00 -0.37 0.00 0.00 57.07 55.98 2r0j s TYR 50 Cb -0.16 -2.01 -0.05 0.00 -0.40 0.00 0.00 41.96 39.34 2r0j s TYR 50 CO 0.06 -0.14 0.55 0.15 -1.57 0.00 0.00 175.55 174.60 2r0j s LYS 51 N 0.65 4.30 0.19 -0.62 1.02 -1.26 -0.95 119.74 123.08 2r0j s LYS 51 Ca -0.02 0.63 0.05 0.00 0.02 0.00 0.00 55.97 56.65 2r0j s LYS 51 Cb -0.14 -3.37 -0.05 0.00 -0.52 0.00 0.00 37.83 33.75 2r0j s LYS 51 CO 0.02 0.29 -0.07 -0.51 -0.92 0.00 0.00 175.35 174.16 2r0j s LEU 52 N 0.11 2.42 0.15 3.17 1.02 -0.21 0.19 118.68 125.53 2r0j s LEU 52 Ca 0.29 -1.09 0.07 0.00 0.02 0.00 0.00 54.13 53.42 2r0j s LEU 52 Cb -0.17 -0.38 -0.04 0.00 0.02 0.00 0.00 46.19 45.62 2r0j s LEU 52 CO 0.15 -0.37 -0.15 -1.83 0.02 0.00 0.00 176.35 174.17 2r0j s GLU 53 N -3.77 1.14 0.00 1.70 -1.05 -0.53 -0.88 118.70 115.32 2r0j s GLU 53 Ca 0.22 -1.34 -0.00 0.00 -0.15 0.00 0.00 54.97 53.70 2r0j s GLU 53 Cb 0.03 -1.07 -0.00 0.00 -0.44 0.00 0.00 34.13 32.65 2r0j s GLU 53 CO 0.05 0.21 -0.01 -1.17 0.95 0.00 0.00 175.26 175.29 2r0j s LEU 54 N -2.62 2.04 -0.04 1.83 0.20 -0.46 -1.84 118.68 117.79 2r0j s LEU 54 Ca 0.13 -0.09 0.03 0.00 0.69 0.00 0.00 54.13 54.89 2r0j s LEU 54 Cb -0.05 0.02 0.00 0.00 -0.43 0.00 0.00 46.19 45.74 2r0j s LEU 54 CO 0.05 -0.06 -0.14 0.12 -0.29 0.00 0.00 176.35 176.02 2r0j s PHE 55 N -0.27 1.50 -0.54 5.38 5.36 0.14 -0.39 117.98 129.16 2r0j s PHE 55 Ca -0.03 -0.45 -0.20 0.00 -0.96 0.00 0.00 56.93 55.30 2r0j s PHE 55 Cb -0.02 -1.03 0.07 0.00 -0.34 0.00 0.00 43.02 41.69 2r0j s PHE 55 CO -0.00 -0.17 0.68 -0.51 -1.46 0.00 0.00 175.22 173.76 2r0j s LEU 56 N 0.19 4.97 0.87 6.12 1.43 0.13 -0.29 118.68 132.11 2r0j s LEU 56 Ca -0.06 -1.00 -0.10 0.00 -1.03 0.00 0.00 54.13 51.94 2r0j s LEU 56 Cb -0.12 -2.44 0.12 0.00 0.03 0.00 0.00 46.19 43.78 2r0j s LEU 56 CO 0.02 -1.00 1.12 -2.16 0.23 0.00 0.00 176.35 174.56 2r0j s PRO 57 N 2.81 1.43 0.57 1.29 0.04 -1.26 -4.87 135.00 135.02 2r0j s PRO 57 Ca 0.16 1.34 0.26 0.00 0.04 0.00 0.00 61.00 62.79 2r0j s PRO 57 Cb -0.20 -1.79 1.65 0.00 0.04 0.00 0.00 34.50 34.20 2r0j s PRO 57 CO 0.11 -2.27 2.20 0.93 0.04 0.00 0.00 177.00 178.00 2r0j h GLU 58 N -1.60 0.00 -0.30 4.56 5.08 -1.99 -0.86 114.58 119.48 2r0j h GLU 58 Ca -0.44 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.92 2r0j h GLU 58 Cb 1.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.51 2r0j h GLU 58 CO 0.46 0.00 0.00 1.04 -1.00 0.00 0.00 179.01 179.51 2r0j n GLN 59 N -4.03 1.79 -1.85 2.33 1.13 -1.26 -4.85 117.38 110.64 2r0j n GLN 59 Ca -0.02 -1.21 -0.41 0.00 -1.94 0.00 0.00 57.00 53.42 2r0j n GLN 59 Cb 0.14 -1.31 -0.01 0.00 0.11 0.00 0.00 30.24 29.17 2r0j n GLN 59 CO 0.00 0.00 0.00 -0.47 -1.44 0.00 0.00 177.06 175.15 2r0j s TYR 60 N -1.61 2.67 -2.29 1.08 5.04 -0.33 -1.16 117.35 120.75 2r0j s TYR 60 Ca 0.26 1.17 0.20 0.00 -2.44 0.00 0.00 57.07 56.27 2r0j s TYR 60 Cb 0.14 -3.98 0.63 0.00 0.35 0.00 0.00 41.96 39.11 2r0j s TYR 60 CO 0.19 -2.87 1.49 -0.35 -1.34 0.00 0.00 175.55 172.67 2r0j n PRO 61 N 0.66 1.92 -0.07 4.97 -0.04 -1.26 -4.88 135.00 136.30 2r0j n PRO 61 Ca 0.01 -1.38 -0.02 0.00 -0.04 0.00 0.00 63.50 62.07 2r0j n PRO 61 Cb 0.39 -1.41 0.24 0.00 -0.04 0.00 0.00 33.50 32.68 2r0j n PRO 61 CO 0.00 0.00 0.00 0.52 -0.04 0.00 0.00 175.50 175.98 2r0j h MET 62 N 2.71 0.68 -6.21 0.54 2.86 -1.53 -3.31 114.93 110.67 2r0j h MET 62 Ca 0.00 -0.15 -0.61 0.00 -2.06 0.00 0.00 59.70 56.88 2r0j h MET 62 Cb 0.60 -0.10 -0.08 0.00 0.06 0.00 0.00 31.60 32.07 2r0j h MET 62 CO 0.00 0.66 -0.59 -1.21 1.06 0.00 0.00 176.91 176.82 2r0j s GLU 63 N -5.08 2.84 0.69 1.72 2.02 -0.49 -4.72 118.70 115.68 2r0j s GLU 63 Ca -0.09 -0.79 -0.12 0.00 0.02 0.00 0.00 54.97 54.00 2r0j s GLU 63 Cb 0.15 -2.67 0.01 0.00 0.10 0.00 0.00 34.13 31.73 2r0j s GLU 63 CO 0.78 0.53 1.07 -1.25 0.02 0.00 0.00 175.26 176.41 2r0j s PRO 64 N -2.68 2.84 0.82 0.39 0.04 -1.26 -4.06 135.00 131.09 2r0j s PRO 64 Ca 0.30 1.07 -0.13 0.00 0.04 0.00 0.00 61.00 62.27 2r0j s PRO 64 Cb -0.11 -1.97 0.09 0.00 0.04 0.00 0.00 34.50 32.54 2r0j s PRO 64 CO 0.22 -1.18 1.19 -2.14 0.04 0.00 0.00 177.00 175.13 2r0j s PRO 65 N -4.80 1.58 -0.14 0.56 0.02 -1.26 -4.65 135.00 126.30 2r0j s PRO 65 Ca 0.60 1.70 -0.02 0.00 0.02 0.00 0.00 61.00 63.30 2r0j s PRO 65 Cb -0.15 -1.77 -0.02 0.00 0.02 0.00 0.00 34.50 32.57 2r0j s PRO 65 CO 0.52 -2.25 -0.09 0.15 -0.33 0.00 0.00 177.00 174.99 2r0j s LYS 66 N -4.24 3.50 0.00 5.54 1.02 0.61 -4.95 119.74 121.21 2r0j s LYS 66 Ca 0.72 -0.62 0.01 0.00 0.02 0.00 0.00 55.97 56.09 2r0j s LYS 66 Cb -0.27 -2.75 -0.00 0.00 -0.52 0.00 0.00 37.83 34.29 2r0j s LYS 66 CO 0.52 0.21 -0.02 0.08 -0.92 0.00 0.00 175.35 175.22 2r0j s VAL 67 N 0.38 0.16 0.01 3.17 1.01 -1.26 -0.68 120.40 123.19 2r0j s VAL 67 Ca -0.08 -0.16 -0.14 0.00 0.00 0.00 0.00 61.98 61.60 2r0j s VAL 67 Cb -0.15 -0.15 0.02 0.00 0.00 0.00 0.00 36.38 36.10 2r0j s VAL 67 CO 0.04 -0.00 0.31 0.00 0.00 0.00 0.00 175.10 175.45 2r0j s ARG 68 N -0.17 0.74 0.34 2.72 1.70 -0.76 -4.47 118.95 119.05 2r0j s ARG 68 Ca -0.01 -0.35 -0.26 0.00 -0.47 0.00 0.00 55.73 54.65 2r0j s ARG 68 Cb -0.02 0.32 -0.10 0.00 -0.57 0.00 0.00 34.95 34.59 2r0j s ARG 68 CO -0.00 -0.22 0.99 -0.06 -1.08 0.00 0.00 175.30 174.92 2r0j s PHE 69 N -1.94 3.57 -0.14 5.89 0.40 0.61 -1.45 117.98 124.92 2r0j s PHE 69 Ca -0.09 1.74 0.12 0.00 -0.60 0.00 0.00 56.93 58.09 2r0j s PHE 69 Cb -0.03 -3.01 -0.17 0.00 0.51 0.00 0.00 43.02 40.32 2r0j s PHE 69 CO 0.01 -0.08 0.04 1.28 0.70 0.00 0.00 175.22 177.17 2r0j n LEU 70 N 0.44 0.10 -4.76 -0.37 4.77 0.13 -4.23 117.00 113.08 2r0j n LEU 70 Ca 0.03 -0.00 -0.40 0.00 -0.03 0.00 0.00 56.01 55.61 2r0j n LEU 70 Cb 0.50 0.31 -0.05 0.00 -2.33 0.00 0.00 43.42 41.84 2r0j n LEU 70 CO 0.45 0.35 0.45 -0.89 -1.33 0.00 0.00 177.39 176.43 2r0j s THR 71 N -2.33 4.61 0.37 -5.08 2.01 -1.04 -4.95 115.64 109.23 2r0j s THR 71 Ca -0.07 1.62 -0.27 0.00 0.31 0.00 0.00 61.69 63.28 2r0j s THR 71 Cb 0.04 -4.10 -0.09 0.00 0.01 0.00 0.00 72.50 68.36 2r0j s THR 71 CO 0.56 0.43 1.25 -0.75 -0.69 0.00 0.00 174.62 175.42 2r0j s LYS 72 N -0.49 4.15 -0.17 4.92 2.20 -1.26 -4.92 119.74 124.18 2r0j s LYS 72 Ca 0.37 2.05 -0.24 0.00 -0.36 0.00 0.00 55.97 57.79 2r0j s LYS 72 Cb -0.21 -2.85 0.06 0.00 -1.51 0.00 0.00 37.83 33.31 2r0j s LYS 72 CO 0.24 -0.30 0.61 -1.50 -0.36 0.00 0.00 175.35 174.04 2r0j s ILE 73 N -1.26 0.01 -0.41 5.43 2.07 -1.26 -4.76 121.20 121.01 2r0j s ILE 73 Ca 0.54 -0.04 -0.11 0.00 -1.41 0.00 0.00 60.65 59.62 2r0j s ILE 73 Cb -0.36 -0.88 0.06 0.00 0.13 0.00 0.00 42.46 41.41 2r0j s ILE 73 CO 0.46 -0.02 0.27 -0.47 -1.91 0.00 0.00 174.94 173.27 2r0j s TYR 74 N -0.23 3.28 -0.23 3.50 5.04 -1.26 -4.94 117.35 122.51 2r0j s TYR 74 Ca -0.04 -1.18 -0.20 0.00 -2.44 0.00 0.00 57.07 53.21 2r0j s TYR 74 Cb -0.03 -2.81 0.06 0.00 0.35 0.00 0.00 41.96 39.53 2r0j s TYR 74 CO 0.04 -0.76 0.60 -1.58 -1.34 0.00 0.00 175.55 172.51 2r0j s HIS 75 N 1.52 -0.70 0.07 4.97 2.46 -1.26 -4.61 115.29 117.75 2r0j s HIS 75 Ca 0.03 1.65 0.33 0.00 0.47 0.00 0.00 55.06 57.54 2r0j s HIS 75 Cb -0.22 0.27 1.48 0.00 -0.13 0.00 0.00 32.58 33.98 2r0j s HIS 75 CO 0.05 -0.34 1.98 -1.00 -2.47 0.00 0.00 174.74 172.96 2r0j h PRO 76 N 5.47 0.00 -0.18 2.88 0.13 -1.94 -2.96 132.00 135.40 2r0j h PRO 76 Ca -0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 2r0j h PRO 76 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 2r0j h PRO 76 CO 0.14 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.00 2r0j n ASN 77 N -2.86 2.48 -3.98 1.44 3.02 -1.26 -4.45 115.26 109.64 2r0j n ASN 77 Ca 0.00 -1.73 -0.28 0.00 -0.03 0.00 0.00 54.58 52.53 2r0j n ASN 77 Cb 0.23 -0.12 -0.17 0.00 -0.61 0.00 0.00 39.78 39.12 2r0j n ASN 77 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2r0j s ILE 78 N -1.02 1.34 0.58 2.41 1.01 -1.12 -0.01 121.20 124.39 2r0j s ILE 78 Ca 0.20 -0.50 -0.01 0.00 0.00 0.00 0.00 60.65 60.34 2r0j s ILE 78 Cb 0.12 -1.28 0.12 0.00 0.01 0.00 0.00 42.46 41.42 2r0j s ILE 78 CO 0.16 0.42 0.80 -0.90 0.00 0.00 0.00 174.94 175.42 2r0j n ASP 79 N 4.71 1.04 0.30 3.58 5.75 -0.65 -4.50 116.55 126.79 2r0j n ASP 79 Ca -0.16 -1.89 0.19 0.00 -0.01 0.00 0.00 54.79 52.92 2r0j n ASP 79 Cb 0.50 -0.52 0.93 0.00 -1.03 0.00 0.00 41.12 41.00 2r0j n ASP 79 CO 0.00 0.00 0.00 0.11 -0.11 0.00 0.00 177.20 177.20 2r0j h LYS 80 N 0.00 0.00 -0.64 0.11 1.57 -1.93 -0.03 116.57 115.65 2r0j h LYS 80 Ca -0.26 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.52 2r0j h LYS 80 Cb 0.97 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.28 2r0j h LYS 80 CO 0.28 0.02 0.00 1.28 -0.57 0.00 0.00 179.45 180.46 2r0j n LEU 81 N -3.20 4.49 -0.08 2.94 4.77 -1.26 -4.93 117.00 119.74 2r0j n LEU 81 Ca -0.01 -2.27 -0.01 0.00 -0.03 0.00 0.00 56.01 53.69 2r0j n LEU 81 Cb 0.19 -0.57 -0.00 0.00 -2.33 0.00 0.00 43.42 40.71 2r0j n LEU 81 CO 0.25 0.71 -0.01 0.61 -1.33 0.00 0.00 177.39 177.62 2r0j n GLY 82 N 0.98 0.45 3.72 -0.72 0.00 -0.02 -4.78 105.19 104.81 2r0j n GLY 82 Ca 0.23 -0.14 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 2r0j n GLY 82 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2r0j s ARG 83 N -0.89 4.64 -0.28 1.61 0.52 -1.26 -0.28 118.95 123.02 2r0j s ARG 83 Ca 0.00 1.49 -0.09 0.00 -0.52 0.00 0.00 55.73 56.61 2r0j s ARG 83 Cb 0.00 -3.38 -0.03 0.00 0.52 0.00 0.00 34.95 32.06 2r0j s ARG 83 CO 0.00 0.12 0.13 0.42 0.02 0.00 0.00 175.30 175.99 2r0j s ILE 84 N 0.24 4.69 -0.77 1.52 1.01 -1.26 -1.63 121.20 124.99 2r0j s ILE 84 Ca 0.49 -0.14 -0.22 0.00 0.00 0.00 0.00 60.65 60.78 2r0j s ILE 84 Cb -0.24 -3.26 0.08 0.00 0.01 0.00 0.00 42.46 39.05 2r0j s ILE 84 CO 0.30 0.23 1.07 0.00 0.00 0.00 0.00 174.94 176.54 2r0j s LEU 86 N 3.83 0.22 0.45 0.00 2.96 -1.26 -4.92 118.68 119.96 2r0j s LEU 86 Ca 0.28 0.42 0.11 0.00 -0.22 0.00 0.00 54.13 54.72 2r0j s LEU 86 Cb -0.12 0.49 1.03 0.00 0.50 0.00 0.00 46.19 48.10 2r0j s LEU 86 CO 0.03 -0.20 2.08 0.44 -1.32 0.00 0.00 176.35 177.39 2r0j h ASP 87 N 7.76 0.28 0.63 3.68 3.32 -1.97 -1.58 116.42 128.54 2r0j h ASP 87 Ca -0.28 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.76 2r0j h ASP 87 Cb 1.13 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.61 2r0j h ASP 87 CO 0.27 0.20 0.00 2.30 -1.72 0.00 0.00 179.24 180.30 2r0j n ILE 88 N -4.50 0.84 1.46 0.35 -5.35 -1.26 -0.98 119.36 109.93 2r0j n ILE 88 Ca 0.02 0.20 0.14 0.00 -0.27 0.00 0.00 62.75 62.83 2r0j n ILE 88 Cb 0.11 -0.96 0.50 0.00 -1.74 0.00 0.00 39.64 37.55 2r0j n ILE 88 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 2r0j n LEU 89 N -1.65 1.56 0.00 7.28 4.77 -0.59 -3.14 117.00 125.23 2r0j n LEU 89 Ca 0.04 -0.53 0.00 0.00 -0.03 0.00 0.00 56.01 55.48 2r0j n LEU 89 Cb 0.21 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.29 2r0j n LEU 89 CO 0.17 0.27 0.00 0.29 -1.33 0.00 0.00 177.39 176.78 2r0j n LYS 90 N 0.22 0.00 0.08 3.23 5.02 -0.58 -4.83 118.16 121.30 2r0j n LYS 90 Ca 0.19 0.00 0.13 0.00 -2.02 0.00 0.00 58.31 56.61 2r0j n LYS 90 Cb 0.36 0.00 0.46 0.00 -0.02 0.00 0.00 35.03 35.83 2r0j n LYS 90 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2r0j n ASP 91 N 0.00 0.58 -0.95 4.39 8.00 -1.16 -2.12 116.55 125.29 2r0j n ASP 91 Ca 0.00 0.56 0.10 0.00 0.71 0.00 0.00 54.79 56.17 2r0j n ASP 91 Cb 0.00 -0.72 0.27 0.00 -0.02 0.00 0.00 41.12 40.65 2r0j n ASP 91 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2r0j n LYS 92 N -2.06 2.22 -1.74 -1.24 5.02 -0.15 -4.93 118.16 115.29 2r0j n LYS 92 Ca 0.06 -1.87 -0.39 0.00 -2.02 0.00 0.00 58.31 54.08 2r0j n LYS 92 Cb 0.38 -1.45 0.03 0.00 -0.02 0.00 0.00 35.03 33.98 2r0j n LYS 92 CO 0.00 0.00 0.00 1.87 -0.52 0.00 0.00 177.40 178.75 2r0j n TRP 93 N 1.05 2.40 -3.93 2.13 -0.00 -0.90 -4.65 117.44 113.54 2r0j n TRP 93 Ca 0.18 0.44 -0.09 0.00 -0.00 0.00 0.00 57.50 58.03 2r0j n TRP 93 Cb 0.48 -2.39 -0.09 0.00 -0.00 0.00 0.00 31.31 29.31 2r0j n TRP 93 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 177.69 176.15 2r0j s SER 94 N -0.74 0.21 0.21 5.87 1.04 -1.26 -5.02 113.70 114.01 2r0j s SER 94 Ca 0.67 -0.67 0.18 0.00 0.48 0.00 0.00 55.95 56.62 2r0j s SER 94 Cb -0.43 0.27 0.87 0.00 0.10 0.00 0.00 66.02 66.82 2r0j s SER 94 CO 0.53 -0.62 1.55 -0.81 0.98 0.00 0.00 173.24 174.87 2r0j n PRO 95 N 0.29 0.12 0.25 4.02 -0.04 -1.25 -1.17 135.00 137.22 2r0j n PRO 95 Ca -0.16 0.50 0.14 0.00 -0.04 0.00 0.00 63.50 63.94 2r0j n PRO 95 Cb 0.61 -1.81 0.52 0.00 -0.04 0.00 0.00 33.50 32.78 2r0j n PRO 95 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2r0j h ALA 96 N 2.14 1.00 -2.28 0.55 0.00 -1.96 -3.44 119.26 115.26 2r0j h ALA 96 Ca 0.00 -0.05 -0.46 0.00 0.00 0.00 0.00 54.91 54.40 2r0j h ALA 96 Cb 0.15 -0.01 0.12 0.00 0.00 0.00 0.00 17.79 18.05 2r0j h ALA 96 CO 0.00 0.07 0.37 -0.51 0.00 0.00 0.00 179.25 179.18 2r0j s LEU 97 N -6.31 2.66 0.35 0.00 1.43 -0.32 -5.11 118.68 111.38 2r0j s LEU 97 Ca 0.02 0.48 -0.06 0.00 -1.03 0.00 0.00 54.13 53.54 2r0j s LEU 97 Cb 0.08 -2.83 0.01 0.00 0.03 0.00 0.00 46.19 43.49 2r0j s LEU 97 CO 0.59 -2.14 0.55 0.00 0.23 0.00 0.00 176.35 175.58 2r0j s GLN 98 N -5.60 1.99 0.18 1.70 -2.07 -1.26 -4.99 119.66 109.61 2r0j s GLN 98 Ca 0.66 -1.68 -0.13 0.00 -1.82 0.00 0.00 55.36 52.39 2r0j s GLN 98 Cb -0.08 0.49 0.09 0.00 -1.09 0.00 0.00 33.01 32.42 2r0j s GLN 98 CO 0.49 -0.85 1.84 0.82 -1.32 0.00 0.00 175.29 176.27 2r0j h ILE 99 N 2.08 1.16 -0.62 3.63 2.04 -1.99 -1.73 117.51 122.08 2r0j h ILE 99 Ca -0.29 -0.32 0.08 0.00 1.00 0.00 0.00 64.86 65.33 2r0j h ILE 99 Cb 1.24 0.30 -0.06 0.00 -0.74 0.00 0.00 36.82 37.56 2r0j h ILE 99 CO 0.39 0.16 0.29 -0.09 0.00 0.00 0.00 178.15 178.90 2r0j h ARG 100 N 0.81 0.51 -0.40 2.37 2.43 -1.96 -1.09 114.38 117.06 2r0j h ARG 100 Ca 0.22 -0.03 0.02 0.00 -0.81 0.00 0.00 59.98 59.38 2r0j h ARG 100 Cb -0.07 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 29.34 2r0j h ARG 100 CO -0.05 0.34 0.23 1.15 -1.51 0.00 0.00 179.97 180.14 2r0j h THR 101 N 0.53 1.04 -0.92 0.20 2.02 -1.74 -0.25 112.91 113.79 2r0j h THR 101 Ca 0.30 -0.16 0.00 0.00 0.77 0.00 0.00 66.41 67.32 2r0j h THR 101 Cb 0.29 0.52 -0.04 0.00 -1.74 0.00 0.00 68.15 67.17 2r0j h THR 101 CO -0.24 0.09 0.58 0.58 0.37 0.00 0.00 175.52 176.90 2r0j h VAL 102 N 0.47 1.24 -0.37 3.16 2.07 -0.77 -0.10 116.25 121.96 2r0j h VAL 102 Ca 0.16 -0.49 -0.17 0.00 0.82 0.00 0.00 66.70 67.03 2r0j h VAL 102 Cb 0.01 -0.08 -0.00 0.00 -1.52 0.00 0.00 31.29 29.70 2r0j h VAL 102 CO -0.08 0.25 -0.42 -0.07 0.02 0.00 0.00 177.57 177.27 2r0j h LEU 103 N 1.25 1.00 -0.98 2.57 3.38 -0.90 -1.05 115.31 120.59 2r0j h LEU 103 Ca 0.33 -0.48 -0.05 0.00 0.09 0.00 0.00 57.88 57.77 2r0j h LEU 103 Cb -0.10 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.34 2r0j h LEU 103 CO -0.07 1.28 0.13 -0.07 0.09 0.00 0.00 178.44 179.80 2r0j h LEU 104 N 0.75 0.82 -0.28 1.67 3.38 -0.81 -0.27 115.31 120.57 2r0j h LEU 104 Ca 0.05 -0.15 -0.03 0.00 0.09 0.00 0.00 57.88 57.84 2r0j h LEU 104 Cb 1.02 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.55 2r0j h LEU 104 CO 0.10 0.80 0.05 -1.28 0.09 0.00 0.00 178.44 178.20 2r0j h SER 105 N 0.84 0.44 -0.16 -0.43 0.87 -0.68 -0.44 113.55 113.98 2r0j h SER 105 Ca 0.18 -0.26 0.02 0.00 -1.23 0.00 0.00 61.79 60.50 2r0j h SER 105 Cb 0.31 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 62.14 2r0j h SER 105 CO 0.00 0.58 0.03 0.40 -0.53 0.00 0.00 176.83 177.32 2r0j h ILE 106 N 0.28 0.93 -0.96 2.23 2.04 -1.08 0.30 117.51 121.25 2r0j h ILE 106 Ca 0.08 -0.03 0.15 0.00 1.00 0.00 0.00 64.86 66.06 2r0j h ILE 106 Cb 0.33 0.82 -0.09 0.00 -0.74 0.00 0.00 36.82 37.14 2r0j h ILE 106 CO 0.00 0.02 0.58 -0.61 0.00 0.00 0.00 178.15 178.14 2r0j h GLN 107 N 0.10 0.81 0.00 2.37 4.15 -0.92 -2.24 115.11 119.38 2r0j h GLN 107 Ca 0.07 -0.05 -0.14 0.00 0.77 0.00 0.00 58.65 59.30 2r0j h GLN 107 Cb 0.06 -0.18 -0.02 0.00 0.21 0.00 0.00 27.48 27.55 2r0j h GLN 107 CO -0.09 0.53 -0.68 0.00 -1.93 0.00 0.00 178.83 176.66 2r0j h ALA 108 N 1.57 0.70 -0.45 3.38 0.00 -0.54 -2.91 119.26 121.01 2r0j h ALA 108 Ca 0.51 -0.62 0.02 0.00 0.00 0.00 0.00 54.91 54.82 2r0j h ALA 108 Cb 0.65 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 2r0j h ALA 108 CO -0.32 0.85 0.30 1.25 0.00 0.00 0.00 179.25 181.33 2r0j h LEU 109 N 0.00 0.47 -1.78 0.00 5.85 0.17 0.18 115.31 120.19 2r0j h LEU 109 Ca -0.01 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.70 2r0j h LEU 109 Cb 1.35 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 42.26 2r0j h LEU 109 CO 0.09 0.33 0.06 -0.07 -0.34 0.00 0.00 178.44 178.51 2r0j h LEU 110 N 0.55 0.18 0.00 2.25 3.38 -1.25 -2.83 115.31 117.58 2r0j h LEU 110 Ca 0.18 -0.01 -0.13 0.00 0.09 0.00 0.00 57.88 58.01 2r0j h LEU 110 Cb 0.04 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 2r0j h LEU 110 CO -0.04 0.16 -1.36 -1.20 0.09 0.00 0.00 178.44 176.09 2r0j n SER 111 N -4.48 0.81 -3.29 -0.43 7.64 -0.30 -4.67 113.62 108.92 2r0j n SER 111 Ca -0.01 0.35 -0.25 0.00 1.01 0.00 0.00 58.87 59.97 2r0j n SER 111 Cb 0.11 0.30 -0.07 0.00 -1.01 0.00 0.00 64.21 63.53 2r0j n SER 111 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2r0j n SER 112 N -2.82 2.26 -4.71 6.43 2.88 0.47 -5.08 113.62 113.04 2r0j n SER 112 Ca -0.08 -3.15 -0.36 0.00 -1.33 0.00 0.00 58.87 53.95 2r0j n SER 112 Cb 0.77 -0.65 0.08 0.00 -0.75 0.00 0.00 64.21 63.67 2r0j n SER 112 CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 2r0j n PRO 113 N 0.96 0.92 -3.83 -1.46 -0.02 -1.08 -4.64 135.00 125.84 2r0j n PRO 113 Ca 0.26 0.37 -0.31 0.00 -2.02 0.00 0.00 63.50 61.81 2r0j n PRO 113 Cb 0.47 -2.48 -0.11 0.00 -0.02 0.00 0.00 33.50 31.36 2r0j n PRO 113 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 2r0j s GLU 114 N -3.47 2.63 0.00 -0.52 0.41 -1.26 -5.00 118.70 111.49 2r0j s GLU 114 Ca 0.81 -3.19 0.07 0.00 -0.41 0.00 0.00 54.97 52.25 2r0j s GLU 114 Cb -0.37 -3.57 0.41 0.00 -1.78 0.00 0.00 34.13 28.82 2r0j s GLU 114 CO 0.43 -1.25 0.83 -0.35 -0.49 0.00 0.00 175.26 174.43 2r0j n PRO 115 N 2.31 0.25 0.03 0.39 -0.04 -1.26 -2.86 135.00 133.82 2r0j n PRO 115 Ca 0.17 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.75 2r0j n PRO 115 Cb 0.35 -1.42 -0.02 0.00 -0.04 0.00 0.00 33.50 32.36 2r0j n PRO 115 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2r0j n ASP 116 N -0.92 0.56 -0.17 3.54 8.00 -1.26 -4.54 116.55 121.75 2r0j n ASP 116 Ca 0.05 -0.15 -0.07 0.00 0.71 0.00 0.00 54.79 55.32 2r0j n ASP 116 Cb 0.02 0.98 0.07 0.00 -0.02 0.00 0.00 41.12 42.18 2r0j n ASP 116 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 2r0j h ASP 117 N 0.00 0.95 -4.18 -2.24 3.32 -1.91 -3.44 116.42 108.92 2r0j h ASP 117 Ca 0.00 -0.26 -0.48 0.00 0.02 0.00 0.00 57.03 56.31 2r0j h ASP 117 Cb 0.80 -0.25 0.03 0.00 0.22 0.00 0.00 39.33 40.13 2r0j h ASP 117 CO 0.00 1.01 0.38 -2.16 -1.72 0.00 0.00 179.24 176.75 2r0j s PRO 118 N -4.98 3.71 -0.05 3.56 0.05 -1.26 -4.96 135.00 131.07 2r0j s PRO 118 Ca -0.11 1.10 -0.24 0.00 0.05 0.00 0.00 61.00 61.80 2r0j s PRO 118 Cb 0.14 -2.09 -0.24 0.00 0.05 0.00 0.00 34.50 32.35 2r0j s PRO 118 CO 0.84 -0.48 1.01 -0.07 0.05 0.00 0.00 177.00 178.35 2r0j h LEU 119 N 0.85 0.28 -6.11 -3.56 3.38 -1.98 -3.42 115.31 104.75 2r0j h LEU 119 Ca -0.47 -0.81 -0.53 0.00 0.09 0.00 0.00 57.88 56.16 2r0j h LEU 119 Cb 1.20 -0.09 -0.36 0.00 0.09 0.00 0.00 40.66 41.51 2r0j h LEU 119 CO 0.60 1.05 -0.95 -0.67 0.09 0.00 0.00 178.44 178.55 2r0j n ASP 120 N -4.43 -0.67 -4.26 -0.43 2.03 -1.26 -5.07 116.55 102.45 2r0j n ASP 120 Ca -0.10 -2.53 -0.34 0.00 0.52 0.00 0.00 54.79 52.34 2r0j n ASP 120 Cb 0.56 -0.30 -0.15 0.00 -0.72 0.00 0.00 41.12 40.52 2r0j n ASP 120 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 2r0j s SER 121 N -0.23 3.95 0.28 1.67 0.15 -1.26 -4.98 113.70 113.29 2r0j s SER 121 Ca 0.33 -0.46 0.05 0.00 0.70 0.00 0.00 55.95 56.57 2r0j s SER 121 Cb 0.07 -1.66 0.42 0.00 -1.71 0.00 0.00 66.02 63.15 2r0j s SER 121 CO -0.17 0.00 1.69 0.11 1.20 0.00 0.00 173.24 176.08 2r0j h LYS 122 N 7.93 0.34 0.03 5.44 1.79 -1.97 -2.29 116.57 127.83 2r0j h LYS 122 Ca -0.41 -0.15 -0.00 0.00 -2.18 0.00 0.00 60.65 57.91 2r0j h LYS 122 Cb 1.16 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.80 2r0j h LYS 122 CO 0.61 0.66 -0.02 0.28 -1.08 0.00 0.00 179.45 179.91 2r0j h VAL 123 N 0.29 1.09 -0.95 0.50 2.07 -1.93 -2.27 116.25 115.05 2r0j h VAL 123 Ca 0.03 -0.38 0.15 0.00 0.82 0.00 0.00 66.70 67.32 2r0j h VAL 123 Cb 0.79 1.35 -0.10 0.00 -1.52 0.00 0.00 31.29 31.81 2r0j h VAL 123 CO 0.06 0.10 0.55 0.00 0.02 0.00 0.00 177.57 178.30 2r0j h ALA 124 N 0.75 1.48 -0.66 1.67 0.00 -1.74 -1.15 119.26 119.62 2r0j h ALA 124 Ca -0.00 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2r0j h ALA 124 Cb 0.19 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 2r0j h ALA 124 CO 0.01 0.01 0.42 0.93 0.00 0.00 0.00 179.25 180.62 2r0j h GLU 125 N 0.78 0.87 -0.26 0.00 4.39 -1.17 -0.67 114.58 118.52 2r0j h GLU 125 Ca 0.51 -0.06 0.01 0.00 0.34 0.00 0.00 59.36 60.17 2r0j h GLU 125 Cb 0.69 -0.19 -0.02 0.00 -0.10 0.00 0.00 28.75 29.13 2r0j h GLU 125 CO -0.34 0.59 0.13 1.25 -1.16 0.00 0.00 179.01 179.49 2r0j h HIS 126 N 0.89 0.25 -0.83 4.33 2.76 -0.67 -0.55 115.15 121.33 2r0j h HIS 126 Ca 0.24 0.01 0.03 0.00 -2.20 0.00 0.00 60.37 58.45 2r0j h HIS 126 Cb -0.08 -0.07 -0.05 0.00 1.55 0.00 0.00 27.41 28.76 2r0j h HIS 126 CO -0.02 0.14 0.55 0.74 -1.30 0.00 0.00 177.93 178.03 2r0j h PHE 127 N 0.28 1.01 -0.37 5.26 0.04 -0.90 -0.06 116.94 122.19 2r0j h PHE 127 Ca 0.10 0.02 -0.04 0.00 2.80 0.00 0.00 57.97 60.86 2r0j h PHE 127 Cb 0.02 -0.34 -0.02 0.00 2.20 0.00 0.00 35.95 37.82 2r0j h PHE 127 CO -0.09 0.60 0.09 0.87 -0.60 0.00 0.00 178.31 179.18 2r0j h LYS 128 N 1.05 0.59 0.02 1.51 1.57 -0.95 -2.74 116.57 117.63 2r0j h LYS 128 Ca 0.32 -0.14 -0.25 0.00 -1.87 0.00 0.00 60.65 58.72 2r0j h LYS 128 Cb -0.01 -0.08 0.01 0.00 0.08 0.00 0.00 32.23 32.23 2r0j h LYS 128 CO -0.09 0.63 -1.02 1.96 -0.57 0.00 0.00 179.45 180.36 2r0j h GLN 129 N 0.45 0.47 -1.36 3.15 1.08 -0.63 -3.42 115.11 114.85 2r0j h GLN 129 Ca 0.12 -0.54 -0.20 0.00 -1.45 0.00 0.00 58.65 56.57 2r0j h GLN 129 Cb 0.30 0.16 -0.23 0.00 -0.05 0.00 0.00 27.48 27.66 2r0j h GLN 129 CO 0.00 1.19 -0.56 0.34 -0.95 0.00 0.00 178.83 178.85 2r0j s ASP 130 N -7.16 -0.54 0.18 1.46 -1.08 -0.08 -5.04 116.67 104.41 2r0j s ASP 130 Ca -0.07 -1.33 -0.13 0.00 -0.52 0.00 0.00 52.55 50.50 2r0j s ASP 130 Cb 0.08 1.39 0.11 0.00 -1.46 0.00 0.00 42.92 43.05 2r0j s ASP 130 CO 0.89 -0.17 1.81 0.50 0.52 0.00 0.00 175.17 178.71 2r0j h LYS 131 N 6.57 0.58 -0.54 4.34 3.64 -1.64 -0.48 116.57 129.04 2r0j h LYS 131 Ca 0.07 -0.03 -0.07 0.00 -1.27 0.00 0.00 60.65 59.34 2r0j h LYS 131 Cb 1.11 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.78 2r0j h LYS 131 CO 0.13 0.38 0.05 -0.97 -2.27 0.00 0.00 179.45 176.77 2r0j h ASN 132 N 0.59 0.85 -0.21 4.20 -0.73 -1.93 -1.43 115.58 116.92 2r0j h ASN 132 Ca 0.22 -0.20 -0.05 0.00 1.87 0.00 0.00 56.30 58.14 2r0j h ASN 132 Cb 0.05 -0.22 -0.01 0.00 0.27 0.00 0.00 38.32 38.41 2r0j h ASN 132 CO -0.11 0.88 -0.07 -0.78 -0.37 0.00 0.00 177.43 176.97 2r0j h ASP 133 N 0.83 0.43 -0.54 1.15 3.58 -1.79 -2.79 116.42 117.29 2r0j h ASP 133 Ca 0.17 -0.39 0.01 0.00 0.42 0.00 0.00 57.03 57.23 2r0j h ASP 133 Cb 0.42 -0.12 -0.03 0.00 1.72 0.00 0.00 39.33 41.33 2r0j h ASP 133 CO 0.01 0.72 0.36 0.00 -2.88 0.00 0.00 179.24 177.45 2r0j h ALA 134 N 0.72 1.63 -0.03 -0.78 0.00 -0.72 -2.05 119.26 118.02 2r0j h ALA 134 Ca 0.05 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 2r0j h ALA 134 Cb 0.55 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2r0j h ALA 134 CO 0.03 0.35 -0.12 0.93 0.00 0.00 0.00 179.25 180.43 2r0j h GLU 135 N 0.72 0.04 -0.53 0.00 5.08 -1.05 -0.82 114.58 118.02 2r0j h GLU 135 Ca 0.20 -0.01 0.08 0.00 -1.00 0.00 0.00 59.36 58.63 2r0j h GLU 135 Cb -0.07 -0.01 -0.07 0.00 0.50 0.00 0.00 28.75 29.10 2r0j h GLU 135 CO -0.04 0.17 0.15 0.45 -1.00 0.00 0.00 179.01 178.73 2r0j h HIS 136 N 0.04 0.26 0.05 4.33 3.86 -1.11 0.88 115.15 123.46 2r0j h HIS 136 Ca 0.01 0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 59.25 2r0j h HIS 136 Cb 0.24 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 28.67 2r0j h HIS 136 CO 0.00 0.04 -0.02 0.28 0.86 0.00 0.00 177.93 179.09 2r0j h VAL 137 N 0.31 1.17 -0.98 2.45 2.07 -1.24 -1.73 116.25 118.29 2r0j h VAL 137 Ca 0.27 -0.72 0.15 0.00 0.82 0.00 0.00 66.70 67.22 2r0j h VAL 137 Cb 0.33 1.65 -0.09 0.00 -1.52 0.00 0.00 31.29 31.66 2r0j h VAL 137 CO -0.31 0.18 0.59 0.00 0.02 0.00 0.00 177.57 178.06 2r0j h ALA 138 N 0.55 1.53 -0.43 1.67 0.00 -0.97 -0.95 119.26 120.67 2r0j h ALA 138 Ca -0.01 0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.84 2r0j h ALA 138 Cb 0.35 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 2r0j h ALA 138 CO 0.01 0.07 -0.21 -0.09 0.00 0.00 0.00 179.25 179.03 2r0j h ARG 139 N 0.84 0.90 -0.58 0.00 2.43 -0.60 -1.00 114.38 116.37 2r0j h ARG 139 Ca 0.52 -0.39 -0.08 0.00 -0.81 0.00 0.00 59.98 59.22 2r0j h ARG 139 Cb 0.68 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.18 2r0j h ARG 139 CO -0.33 1.04 0.06 0.37 -1.51 0.00 0.00 179.97 179.60 2r0j h GLN 140 N 0.72 0.99 -0.71 0.20 4.15 -0.98 -2.54 115.11 116.93 2r0j h GLN 140 Ca 0.09 -0.29 -0.02 0.00 0.77 0.00 0.00 58.65 59.20 2r0j h GLN 140 Cb 0.78 -0.10 -0.03 0.00 0.21 0.00 0.00 27.48 28.33 2r0j h GLN 140 CO 0.06 0.96 0.35 -1.49 -1.93 0.00 0.00 178.83 176.78 2r0j h TRP 141 N 0.88 1.00 -0.41 3.99 4.06 -1.10 -1.93 115.95 122.44 2r0j h TRP 141 Ca 0.17 -0.03 0.06 0.00 2.06 0.00 0.00 58.89 61.15 2r0j h TRP 141 Cb 0.47 -0.32 -0.06 0.00 -1.00 0.00 0.00 29.16 28.26 2r0j h TRP 141 CO 0.03 0.72 0.08 -0.97 -3.56 0.00 0.00 178.44 174.74 2r0j h ASN 142 N 1.01 -0.00 -0.74 -3.49 -0.73 -0.92 0.33 115.58 111.04 2r0j h ASN 142 Ca 0.25 0.07 0.01 0.00 1.87 0.00 0.00 56.30 58.50 2r0j h ASN 142 Cb 0.08 0.10 -0.04 0.00 0.27 0.00 0.00 38.32 38.74 2r0j h ASN 142 CO -0.03 0.03 0.48 0.11 -0.37 0.00 0.00 177.43 177.65 2r0j h LYS 143 N 0.20 0.94 0.01 6.67 1.57 -1.10 -1.43 116.57 123.43 2r0j h LYS 143 Ca 0.20 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.92 2r0j h LYS 143 Cb 0.24 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.34 2r0j h LYS 143 CO -0.27 0.62 -0.00 0.82 -0.57 0.00 0.00 179.45 180.05 2r0j h ILE 144 N 0.97 1.61 0.00 1.86 2.04 -0.89 -3.37 117.51 119.73 2r0j h ILE 144 Ca 0.28 -2.10 -0.14 0.00 1.00 0.00 0.00 64.86 63.90 2r0j h ILE 144 Cb -0.07 2.99 -0.03 0.00 -0.74 0.00 0.00 36.82 38.97 2r0j h ILE 144 CO -0.07 0.53 -2.13 -1.22 0.00 0.00 0.00 178.15 175.25 2r0j n TYR 145 N -4.66 0.01 -0.37 1.37 4.01 0.11 -4.50 117.16 113.13 2r0j n TYR 145 Ca -0.09 0.00 0.06 0.00 -0.16 0.00 0.00 57.90 57.71 2r0j n TYR 145 Cb 0.42 -0.69 0.16 0.00 -0.31 0.00 0.00 39.34 38.92 2r0j n TYR 145 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2r0j n ALA 146 N -2.44 2.35 0.00 -0.72 0.00 -0.54 -4.68 120.51 114.49 2r0j n ALA 146 Ca -0.15 -1.44 -0.05 0.00 0.00 0.00 0.00 53.44 51.81 2r0j n ALA 146 Cb 0.79 -0.46 -0.11 0.00 0.00 0.00 0.00 19.45 19.66 2r0j n ALA 146 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2r0j n ASN 147 N 0.13 0.85 0.00 0.00 3.02 -1.20 -0.67 115.26 117.39 2r0j n ASN 147 Ca 0.13 0.39 0.00 0.00 -0.03 0.00 0.00 54.58 55.07 2r0j n ASN 147 Cb 0.52 0.06 0.00 0.00 -0.61 0.00 0.00 39.78 39.76 2r0j n ASN 147 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18