#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2byp n HIS 1 N 0.00 -0.12 0.05 1.96 8.25 -1.26 -0.61 115.22 123.50 2byp n HIS 1 Ca 0.00 0.81 -0.12 0.00 -0.26 0.00 0.00 57.72 58.15 2byp n HIS 1 Cb 0.00 -0.66 -0.07 0.00 1.12 0.00 0.00 29.99 30.38 2byp n HIS 1 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 2byp h SER 2 N 0.00 -0.03 -0.70 0.41 4.64 -1.97 -3.15 113.55 112.75 2byp h SER 2 Ca 0.17 -0.00 0.15 0.00 -0.47 0.00 0.00 61.79 61.64 2byp h SER 2 Cb 0.33 0.01 -0.11 0.00 -0.31 0.00 0.00 62.40 62.32 2byp h SER 2 CO -0.63 -0.02 0.11 -0.61 -0.87 0.00 0.00 176.83 174.81 2byp h GLN 3 N -0.05 0.20 -0.42 4.77 4.15 -1.29 0.15 115.11 122.62 2byp h GLN 3 Ca -0.00 -0.01 -0.11 0.00 0.77 0.00 0.00 58.65 59.30 2byp h GLN 3 Cb 0.04 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 27.67 2byp h GLN 3 CO 0.01 0.13 -0.16 0.00 -1.93 0.00 0.00 178.83 176.88 2byp h ALA 4 N 1.60 0.59 -0.43 3.38 0.00 -1.52 -1.37 119.26 121.51 2byp h ALA 4 Ca 0.38 -0.35 -0.13 0.00 0.00 0.00 0.00 54.91 54.81 2byp h ALA 4 Cb 0.65 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 2byp h ALA 4 CO -0.53 0.51 -0.25 -0.91 0.00 0.00 0.00 179.25 178.08 2byp h ASN 5 N 0.67 0.96 -0.37 0.00 2.35 -1.25 -2.77 115.58 115.18 2byp h ASN 5 Ca 0.10 -0.42 -0.09 0.00 -0.55 0.00 0.00 56.30 55.35 2byp h ASN 5 Cb 0.71 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.80 2byp h ASN 5 CO 0.05 1.17 -0.11 0.25 -1.65 0.00 0.00 177.43 177.14 2byp h LEU 6 N 0.76 0.73 -0.57 1.61 5.85 -0.69 0.48 115.31 123.48 2byp h LEU 6 Ca 0.09 -0.37 0.08 0.00 0.84 0.00 0.00 57.88 58.52 2byp h LEU 6 Cb 0.83 -0.20 -0.06 0.00 0.37 0.00 0.00 40.66 41.59 2byp h LEU 6 CO 0.07 0.94 0.24 0.24 -0.34 0.00 0.00 178.44 179.59 2byp h MET 7 N 0.52 0.43 -0.17 1.25 2.86 -1.31 -1.77 114.93 116.74 2byp h MET 7 Ca 0.09 -0.03 -0.02 0.00 -2.06 0.00 0.00 59.70 57.69 2byp h MET 7 Cb 0.63 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 32.18 2byp h MET 7 CO 0.04 0.28 0.04 -0.09 1.06 0.00 0.00 176.91 178.24 2byp h ARG 8 N 0.44 0.28 -0.64 1.72 2.43 -1.27 -2.57 114.38 114.75 2byp h ARG 8 Ca 0.28 -0.07 0.11 0.00 -0.81 0.00 0.00 59.98 59.49 2byp h ARG 8 Cb 0.29 -0.03 -0.08 0.00 -0.42 0.00 0.00 29.97 29.73 2byp h ARG 8 CO -0.26 0.43 0.21 1.25 -1.51 0.00 0.00 179.97 180.09 2byp h LEU 9 N 0.08 0.15 -0.18 3.80 5.85 -0.64 0.53 115.31 124.89 2byp h LEU 9 Ca 0.05 0.10 -0.07 0.00 0.84 0.00 0.00 57.88 58.80 2byp h LEU 9 Cb 0.28 0.10 -0.00 0.00 0.37 0.00 0.00 40.66 41.41 2byp h LEU 9 CO 0.00 0.08 -0.16 0.11 -0.34 0.00 0.00 178.44 178.13 2byp h LYS 10 N 0.36 0.43 -0.91 1.25 1.57 -1.28 -0.69 116.57 117.30 2byp h LYS 10 Ca 0.34 -0.22 0.05 0.00 -1.87 0.00 0.00 60.65 58.95 2byp h LYS 10 Cb 0.48 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.73 2byp h LYS 10 CO -0.37 0.77 0.59 1.03 -0.57 0.00 0.00 179.45 180.90 2byp h SER 11 N 0.10 0.96 0.85 0.86 0.87 -1.21 -0.56 113.55 115.41 2byp h SER 11 Ca 0.03 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.55 2byp h SER 11 Cb 0.68 -0.21 0.01 0.00 -0.44 0.00 0.00 62.40 62.44 2byp h SER 11 CO 0.04 0.64 -0.41 0.44 -0.53 0.00 0.00 176.83 177.01 2byp h ASP 12 N 1.11 -0.96 -0.76 6.23 3.32 -0.76 -1.00 116.42 123.61 2byp h ASP 12 Ca 0.38 0.03 0.06 0.00 0.02 0.00 0.00 57.03 57.52 2byp h ASP 12 Cb 0.07 0.25 -0.05 0.00 0.22 0.00 0.00 39.33 39.82 2byp h ASP 12 CO -0.14 -0.65 0.50 -0.07 -1.72 0.00 0.00 179.24 177.15 2byp h LEU 13 N -1.21 0.71 0.00 1.55 3.38 -0.98 -2.95 115.31 115.82 2byp h LEU 13 Ca -0.12 0.00 -0.36 0.00 0.09 0.00 0.00 57.88 57.50 2byp h LEU 13 Cb 0.87 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 41.42 2byp h LEU 13 CO 0.19 0.46 -2.01 0.49 0.09 0.00 0.00 178.44 177.66 2byp n PHE 14 N -4.48 0.35 1.17 1.13 0.99 -0.23 -4.60 117.46 111.79 2byp n PHE 14 Ca 0.11 0.15 0.13 0.00 -0.00 0.00 0.00 57.45 57.84 2byp n PHE 14 Cb 0.21 -1.00 0.46 0.00 -1.00 0.00 0.00 39.48 38.15 2byp n PHE 14 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.76 176.85 2byp n ASN 15 N -4.33 0.47 -2.31 4.37 4.13 -0.38 -4.98 115.26 112.22 2byp n ASN 15 Ca -0.44 -0.30 -0.20 0.00 1.68 0.00 0.00 54.58 55.32 2byp n ASN 15 Cb 0.79 -0.02 0.02 0.00 -1.54 0.00 0.00 39.78 39.03 2byp n ASN 15 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 2byp n ARG 16 N -1.19 3.07 -4.59 3.52 1.74 -1.11 -5.03 116.66 113.05 2byp n ARG 16 Ca 0.10 -4.07 -0.33 0.00 -0.77 0.00 0.00 57.85 52.77 2byp n ARG 16 Cb 0.32 -2.08 -0.13 0.00 -1.02 0.00 0.00 32.46 29.55 2byp n ARG 16 CO 0.00 0.00 0.00 -1.64 -1.52 0.00 0.00 177.63 174.47 2byp s MET 19 N -3.58 3.31 -0.23 5.56 -1.94 -1.26 -5.04 119.30 116.12 2byp s MET 19 Ca 0.44 -0.58 -0.29 0.00 -1.71 0.00 0.00 55.69 53.55 2byp s MET 19 Cb 0.40 -2.72 -0.03 0.00 2.01 0.00 0.00 34.83 34.48 2byp s MET 19 CO -0.03 0.36 1.68 -0.47 -0.01 0.00 0.00 175.02 176.54 2byp s TYR 20 N 0.02 2.00 -2.00 -0.03 5.04 -1.26 -4.86 117.35 116.25 2byp s TYR 20 Ca -0.01 0.52 0.05 0.00 -2.44 0.00 0.00 57.07 55.18 2byp s TYR 20 Cb -0.14 -4.02 0.29 0.00 0.35 0.00 0.00 41.96 38.45 2byp s TYR 20 CO 0.03 -3.07 0.99 -0.35 -1.34 0.00 0.00 175.55 171.81 2byp n PRO 21 N 7.82 0.78 0.00 4.97 -0.04 -1.26 -4.96 135.00 142.30 2byp n PRO 21 Ca 0.20 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.66 2byp n PRO 21 Cb 0.45 -1.10 0.00 0.00 -0.04 0.00 0.00 33.50 32.81 2byp n PRO 21 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2byp n GLY 22 N 0.33 -0.96 3.81 0.55 0.00 -1.26 -5.00 105.19 102.66 2byp n GLY 22 Ca 0.04 -1.66 -0.31 0.00 0.00 0.00 0.00 46.02 44.08 2byp n GLY 22 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2byp s PRO 23 N -1.56 2.88 0.27 1.61 0.04 -1.26 -5.05 135.00 131.93 2byp s PRO 23 Ca 0.00 1.01 0.00 0.00 0.04 0.00 0.00 61.00 62.06 2byp s PRO 23 Cb 0.00 -1.98 -0.03 0.00 0.04 0.00 0.00 34.50 32.53 2byp s PRO 23 CO 0.00 -1.15 0.27 0.95 0.04 0.00 0.00 177.00 177.11 2byp s THR 24 N -2.96 0.00 0.37 1.26 -4.23 -0.85 -4.99 115.64 104.24 2byp s THR 24 Ca 0.59 -1.87 0.06 0.00 -1.18 0.00 0.00 61.69 59.29 2byp s THR 24 Cb -0.15 -2.49 0.18 0.00 1.34 0.00 0.00 72.50 71.38 2byp s THR 24 CO 0.53 0.00 1.93 0.50 -0.54 0.00 0.00 174.62 177.04 2byp h LYS 25 N 2.35 0.44 0.01 3.99 3.64 -1.91 -1.15 116.57 123.94 2byp h LYS 25 Ca -0.30 -0.08 -0.21 0.00 -1.27 0.00 0.00 60.65 58.79 2byp h LYS 25 Cb 1.24 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.99 2byp h LYS 25 CO 0.44 0.46 -0.93 -0.44 -2.27 0.00 0.00 179.45 176.71 2byp h ASP 26 N 0.43 0.37 -2.47 4.20 3.32 -1.96 -3.37 116.42 116.94 2byp h ASP 26 Ca 0.10 -0.31 -0.60 0.00 0.02 0.00 0.00 57.03 56.24 2byp h ASP 26 Cb 0.26 -0.11 -0.41 0.00 0.22 0.00 0.00 39.33 39.28 2byp h ASP 26 CO 0.00 1.12 -0.70 -0.67 -1.72 0.00 0.00 179.24 177.27 2byp n ASP 27 N -3.68 2.57 -4.80 6.45 2.03 -1.05 -5.12 116.55 112.94 2byp n ASP 27 Ca -0.05 -3.15 -0.30 0.00 0.52 0.00 0.00 54.79 51.81 2byp n ASP 27 Cb 0.83 -0.68 0.09 0.00 -0.72 0.00 0.00 41.12 40.64 2byp n ASP 27 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 2byp s PRO 28 N -1.71 2.13 -0.02 -0.67 0.04 -0.46 -2.01 135.00 132.31 2byp s PRO 28 Ca 0.34 0.67 0.02 0.00 0.04 0.00 0.00 61.00 62.07 2byp s PRO 28 Cb 0.08 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.70 2byp s PRO 28 CO -0.10 -1.59 -0.08 -1.17 0.04 0.00 0.00 177.00 174.10 2byp s LEU 29 N -5.77 1.86 -0.21 -3.56 2.96 -0.13 -4.92 118.68 108.92 2byp s LEU 29 Ca 0.61 -0.16 -0.15 0.00 -0.22 0.00 0.00 54.13 54.21 2byp s LEU 29 Cb -0.14 -0.46 -0.04 0.00 0.50 0.00 0.00 46.19 46.04 2byp s LEU 29 CO 0.54 0.07 0.37 -0.89 -1.32 0.00 0.00 176.35 175.12 2byp s THR 30 N 0.06 5.21 -0.18 3.68 2.01 -1.26 -0.36 115.64 124.81 2byp s THR 30 Ca -0.01 0.65 -0.03 0.00 0.31 0.00 0.00 61.69 62.60 2byp s THR 30 Cb -0.06 -3.70 -0.02 0.00 0.01 0.00 0.00 72.50 68.73 2byp s THR 30 CO 0.00 0.26 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.45 2byp s VAL 31 N 1.31 3.58 -0.19 3.82 1.01 -0.11 -4.37 120.40 125.44 2byp s VAL 31 Ca 0.18 -0.45 -0.07 0.00 0.00 0.00 0.00 61.98 61.63 2byp s VAL 31 Cb -0.15 -2.59 -0.04 0.00 0.00 0.00 0.00 36.38 33.61 2byp s VAL 31 CO 0.08 0.46 0.06 -0.89 0.00 0.00 0.00 175.10 174.81 2byp s THR 32 N 0.87 4.73 -0.02 3.92 2.01 -0.13 -1.12 115.64 125.90 2byp s THR 32 Ca -0.01 -0.05 0.03 0.00 0.31 0.00 0.00 61.69 61.97 2byp s THR 32 Cb -0.15 -3.13 -0.03 0.00 0.01 0.00 0.00 72.50 69.20 2byp s THR 32 CO 0.01 0.45 -0.09 -0.76 -0.69 0.00 0.00 174.62 173.55 2byp s LEU 33 N 0.45 3.06 -0.15 4.42 1.02 0.22 -1.60 118.68 126.09 2byp s LEU 33 Ca 0.03 -0.15 -0.12 0.00 0.02 0.00 0.00 54.13 53.91 2byp s LEU 33 Cb -0.13 -1.73 0.04 0.00 0.02 0.00 0.00 46.19 44.40 2byp s LEU 33 CO 0.01 0.31 0.40 -0.83 0.02 0.00 0.00 176.35 176.25 2byp s GLY 34 N -1.19 -0.30 -0.14 -3.19 0.00 -0.65 -4.33 107.32 97.52 2byp s GLY 34 Ca 0.15 1.24 -0.03 0.00 0.00 0.00 0.00 44.72 46.08 2byp s GLY 34 CO 0.05 1.17 -0.06 -1.36 0.00 0.00 0.00 173.10 172.90 2byp s PHE 35 N 0.56 2.96 -0.54 1.90 0.08 -1.26 -0.11 117.98 121.56 2byp s PHE 35 Ca -0.03 -0.38 -0.12 0.00 0.12 0.00 0.00 56.93 56.52 2byp s PHE 35 Cb -0.04 -1.92 0.14 0.00 -0.57 0.00 0.00 43.02 40.62 2byp s PHE 35 CO -0.03 -0.07 0.45 0.99 -0.10 0.00 0.00 175.22 176.46 2byp s THR 36 N 0.31 4.73 -0.22 0.64 2.01 -0.42 -0.96 115.64 121.72 2byp s THR 36 Ca -0.05 -1.79 -0.29 0.00 0.31 0.00 0.00 61.69 59.87 2byp s THR 36 Cb -0.15 -4.06 0.01 0.00 0.01 0.00 0.00 72.50 68.32 2byp s THR 36 CO 0.04 -0.84 1.05 -0.22 -0.69 0.00 0.00 174.62 173.95 2byp s LEU 37 N 1.28 4.11 -0.21 4.42 2.96 -0.62 -1.24 118.68 129.38 2byp s LEU 37 Ca 0.06 1.40 -0.01 0.00 -0.22 0.00 0.00 54.13 55.36 2byp s LEU 37 Cb -0.26 -3.54 -0.20 0.00 0.50 0.00 0.00 46.19 42.69 2byp s LEU 37 CO -0.00 -0.67 -0.00 0.00 -1.32 0.00 0.00 176.35 174.35 2byp n GLN 38 N 6.31 0.69 -3.63 1.98 3.00 -0.02 -3.48 117.38 122.24 2byp n GLN 38 Ca 0.12 0.19 -0.09 0.00 -0.01 0.00 0.00 57.00 57.21 2byp n GLN 38 Cb 0.46 -1.59 -0.07 0.00 0.00 0.00 0.00 30.24 29.04 2byp n GLN 38 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.06 177.40 2byp s ASP 39 N -6.71 -0.43 -0.44 1.08 2.15 -0.86 -0.32 116.67 111.14 2byp s ASP 39 Ca -0.30 0.76 -0.19 0.00 0.43 0.00 0.00 52.55 53.25 2byp s ASP 39 Cb 0.08 0.75 0.03 0.00 -0.30 0.00 0.00 42.92 43.48 2byp s ASP 39 CO 0.66 -0.19 0.55 -0.63 -0.17 0.00 0.00 175.17 175.40 2byp s ILE 40 N -0.05 4.94 -0.13 4.11 1.01 -1.26 -0.55 121.20 129.27 2byp s ILE 40 Ca 0.02 -0.20 -0.18 0.00 0.00 0.00 0.00 60.65 60.30 2byp s ILE 40 Cb -0.04 -4.16 -0.25 0.00 0.01 0.00 0.00 42.46 38.02 2byp s ILE 40 CO -0.05 -0.57 0.49 -0.37 0.00 0.00 0.00 174.94 174.45 2byp h VAL 41 N 5.81 1.05 -3.84 2.92 -1.51 -1.36 -3.42 116.25 115.91 2byp h VAL 41 Ca -0.26 -2.35 -0.20 0.00 -1.23 0.00 0.00 66.70 62.67 2byp h VAL 41 Cb 1.10 2.66 -0.24 0.00 -2.13 0.00 0.00 31.29 32.68 2byp h VAL 41 CO 0.87 0.63 -0.70 -0.75 -1.23 0.00 0.00 177.57 176.39 2byp s LYS 42 N -2.44 0.17 -0.22 5.19 2.20 -1.21 -4.91 119.74 118.53 2byp s LYS 42 Ca -0.22 -0.31 -0.02 0.00 -0.36 0.00 0.00 55.97 55.07 2byp s LYS 42 Cb 0.04 0.06 0.06 0.00 -1.51 0.00 0.00 37.83 36.49 2byp s LYS 42 CO 0.72 -0.03 0.01 0.00 -0.36 0.00 0.00 175.35 175.70 2byp s ALA 43 N -0.77 1.36 -0.40 3.13 0.00 -1.26 -0.85 121.76 122.97 2byp s ALA 43 Ca -0.08 -0.99 -0.13 0.00 0.00 0.00 0.00 51.96 50.75 2byp s ALA 43 Cb -0.05 -1.30 0.03 0.00 0.00 0.00 0.00 23.12 21.80 2byp s ALA 43 CO -0.00 -1.22 0.26 0.34 0.00 0.00 0.00 175.76 175.14 2byp s ASP 44 N 1.69 5.95 0.00 0.00 -1.08 0.29 -4.94 116.67 118.58 2byp s ASP 44 Ca -0.02 -0.97 0.28 0.00 -0.52 0.00 0.00 52.55 51.32 2byp s ASP 44 Cb -0.18 -2.10 1.01 0.00 -1.46 0.00 0.00 42.92 40.20 2byp s ASP 44 CO -0.09 -0.43 1.76 -1.54 0.52 0.00 0.00 175.17 175.39 2byp n SER 45 N 5.09 0.26 0.18 -0.34 3.41 -1.26 -1.13 113.62 119.83 2byp n SER 45 Ca -0.11 0.01 0.06 0.00 -0.26 0.00 0.00 58.87 58.57 2byp n SER 45 Cb 0.46 -0.16 0.17 0.00 -0.26 0.00 0.00 64.21 64.42 2byp n SER 45 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 2byp h SER 46 N 0.13 0.00 0.00 4.04 4.64 -1.96 -3.37 113.55 117.03 2byp h SER 46 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2byp h SER 46 Cb 0.46 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.55 2byp h SER 46 CO 0.00 0.32 0.00 0.35 -0.87 0.00 0.00 176.83 176.63 2byp n THR 47 N -3.24 0.00 -3.57 2.95 -2.24 -1.22 -5.03 114.28 101.94 2byp n THR 47 Ca 0.02 -0.39 -0.22 0.00 -2.27 0.00 0.00 64.05 61.19 2byp n THR 47 Cb 0.61 1.12 0.05 0.00 -2.10 0.00 0.00 70.33 70.02 2byp n THR 47 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2byp n ASN 48 N -0.34 -3.38 -4.18 3.42 3.02 -0.28 -4.94 115.26 108.59 2byp n ASN 48 Ca 0.00 -0.82 -0.28 0.00 -0.03 0.00 0.00 54.58 53.45 2byp n ASN 48 Cb 0.03 -4.28 -0.16 0.00 -0.61 0.00 0.00 39.78 34.76 2byp n ASN 48 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 2byp s GLU 49 N -5.56 2.04 0.05 3.52 2.02 -0.91 -1.08 118.70 118.78 2byp s GLU 49 Ca 0.21 -0.71 0.09 0.00 0.02 0.00 0.00 54.97 54.58 2byp s GLU 49 Cb -0.05 -1.76 -0.03 0.00 0.10 0.00 0.00 34.13 32.39 2byp s GLU 49 CO 0.80 0.29 -0.26 0.08 0.02 0.00 0.00 175.26 176.19 2byp s VAL 50 N -0.03 2.08 -0.18 2.63 1.01 -0.42 -0.54 120.40 124.94 2byp s VAL 50 Ca -0.04 -1.37 -0.02 0.00 0.00 0.00 0.00 61.98 60.55 2byp s VAL 50 Cb -0.12 -1.79 -0.01 0.00 0.00 0.00 0.00 36.38 34.47 2byp s VAL 50 CO 0.03 0.34 -0.10 -1.81 0.00 0.00 0.00 175.10 173.56 2byp s ASP 51 N -1.24 4.03 0.08 3.32 1.11 -0.03 -1.25 116.67 122.69 2byp s ASP 51 Ca 0.11 -0.40 0.07 0.00 0.18 0.00 0.00 52.55 52.51 2byp s ASP 51 Cb -0.10 -1.65 -0.04 0.00 1.07 0.00 0.00 42.92 42.20 2byp s ASP 51 CO 0.02 0.06 -0.12 -0.76 1.18 0.00 0.00 175.17 175.55 2byp s LEU 52 N 0.99 2.92 -0.15 1.23 1.43 0.03 -0.85 118.68 124.28 2byp s LEU 52 Ca -0.01 -0.38 0.01 0.00 -1.03 0.00 0.00 54.13 52.72 2byp s LEU 52 Cb -0.15 -1.72 0.00 0.00 0.03 0.00 0.00 46.19 44.35 2byp s LEU 52 CO -0.01 0.21 -0.18 -0.69 0.23 0.00 0.00 176.35 175.91 2byp s VAL 53 N -1.11 2.44 0.14 -1.59 1.01 0.28 -1.19 120.40 120.38 2byp s VAL 53 Ca 0.19 -0.85 -0.12 0.00 0.00 0.00 0.00 61.98 61.20 2byp s VAL 53 Cb -0.11 -2.01 0.01 0.00 0.00 0.00 0.00 36.38 34.27 2byp s VAL 53 CO 0.10 0.53 0.33 -0.72 0.00 0.00 0.00 175.10 175.34 2byp s TYR 54 N 0.82 0.07 -0.24 5.22 -0.85 -0.84 -0.84 117.35 120.69 2byp s TYR 54 Ca -0.06 -0.44 -0.10 0.00 -0.52 0.00 0.00 57.07 55.95 2byp s TYR 54 Cb -0.15 0.11 -0.05 0.00 0.38 0.00 0.00 41.96 42.24 2byp s TYR 54 CO -0.01 -0.69 0.15 0.71 -1.52 0.00 0.00 175.55 174.19 2byp s TYR 55 N -3.87 3.29 -0.41 -3.49 4.12 -0.37 -1.12 117.35 115.50 2byp s TYR 55 Ca 0.08 0.17 -0.14 0.00 0.02 0.00 0.00 57.07 57.20 2byp s TYR 55 Cb 0.03 -2.26 0.03 0.00 -1.52 0.00 0.00 41.96 38.24 2byp s TYR 55 CO -0.07 0.03 0.29 -2.00 0.02 0.00 0.00 175.55 173.82 2byp s GLU 56 N 1.09 2.91 -0.14 -0.62 2.12 -0.67 -1.31 118.70 122.09 2byp s GLU 56 Ca 0.07 -1.11 -0.28 0.00 0.36 0.00 0.00 54.97 54.00 2byp s GLU 56 Cb -0.14 -3.92 -0.01 0.00 0.26 0.00 0.00 34.13 30.32 2byp s GLU 56 CO 0.05 -0.79 0.95 -0.65 -0.54 0.00 0.00 175.26 174.28 2byp s GLN 57 N 1.62 4.37 -0.09 4.30 -0.21 0.84 -3.34 119.66 127.15 2byp s GLN 57 Ca 0.04 1.27 0.03 0.00 0.02 0.00 0.00 55.36 56.72 2byp s GLN 57 Cb -0.20 -3.56 0.01 0.00 1.00 0.00 0.00 33.01 30.26 2byp s GLN 57 CO 0.08 -0.34 -0.20 -0.65 -2.12 0.00 0.00 175.29 172.06 2byp s GLN 58 N 2.14 2.58 -0.01 2.91 -0.21 -0.16 -1.63 119.66 125.27 2byp s GLN 58 Ca 0.45 -0.71 0.03 0.00 0.02 0.00 0.00 55.36 55.15 2byp s GLN 58 Cb -0.17 -2.01 -0.01 0.00 1.00 0.00 0.00 33.01 31.82 2byp s GLN 58 CO 0.15 0.10 -0.11 1.03 -2.12 0.00 0.00 175.29 174.34 2byp s ARG 59 N 0.52 0.99 0.24 2.91 0.52 -0.63 -1.17 118.95 122.32 2byp s ARG 59 Ca -0.16 -0.41 -0.22 0.00 -0.52 0.00 0.00 55.73 54.42 2byp s ARG 59 Cb -0.17 -0.94 0.03 0.00 0.52 0.00 0.00 34.95 34.39 2byp s ARG 59 CO 0.06 0.23 0.80 1.67 0.02 0.00 0.00 175.30 178.08 2byp s TRP 60 N -0.18 -0.17 -0.05 -0.53 -2.14 -0.95 -0.96 118.94 113.96 2byp s TRP 60 Ca 0.03 -0.24 0.00 0.00 2.66 0.00 0.00 56.10 58.55 2byp s TRP 60 Cb -0.06 0.69 0.03 0.00 -3.10 0.00 0.00 33.47 31.03 2byp s TRP 60 CO -0.00 -1.10 -0.02 0.21 -2.66 0.00 0.00 176.95 173.38 2byp s LYS 61 N -3.70 0.61 -0.11 3.25 2.20 -1.26 0.51 119.74 121.23 2byp s LYS 61 Ca 0.11 0.02 0.03 0.00 -0.36 0.00 0.00 55.97 55.77 2byp s LYS 61 Cb -0.04 -0.79 -0.00 0.00 -1.51 0.00 0.00 37.83 35.48 2byp s LYS 61 CO 0.05 -0.17 -0.21 -0.51 -0.36 0.00 0.00 175.35 174.15 2byp s LEU 62 N 1.32 2.24 0.29 5.43 1.43 -0.50 -4.92 118.68 123.98 2byp s LEU 62 Ca -0.05 -0.51 0.03 0.00 -1.03 0.00 0.00 54.13 52.57 2byp s LEU 62 Cb -0.13 -1.46 0.63 0.00 0.03 0.00 0.00 46.19 45.25 2byp s LEU 62 CO -0.02 0.15 1.82 0.78 0.23 0.00 0.00 176.35 179.31 2byp h ASN 63 N 6.77 0.87 0.23 2.29 4.21 -1.88 -2.03 115.58 126.04 2byp h ASN 63 Ca -0.22 0.06 0.00 0.00 1.21 0.00 0.00 56.30 57.35 2byp h ASN 63 Cb 1.23 -0.11 0.00 0.00 -1.12 0.00 0.00 38.32 38.32 2byp h ASN 63 CO 0.50 0.42 0.00 -1.54 -1.29 0.00 0.00 177.43 175.52 2byp n SER 64 N -4.65 0.00 -0.78 5.81 3.41 -1.26 -1.45 113.62 114.69 2byp n SER 64 Ca 0.20 0.46 0.09 0.00 -0.26 0.00 0.00 58.87 59.36 2byp n SER 64 Cb 0.42 -0.47 0.12 0.00 -0.26 0.00 0.00 64.21 64.02 2byp n SER 64 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2byp n LEU 65 N -1.47 2.74 -4.79 1.04 4.77 -0.76 -5.01 117.00 113.53 2byp n LEU 65 Ca 0.02 -1.30 -0.34 0.00 -0.03 0.00 0.00 56.01 54.36 2byp n LEU 65 Cb 0.08 -0.11 -0.00 0.00 -2.33 0.00 0.00 43.42 41.06 2byp n LEU 65 CO 0.06 0.56 0.75 -0.04 -1.33 0.00 0.00 177.39 177.39 2byp s MET 66 N -1.31 3.43 0.08 3.23 -1.94 -0.53 -4.14 119.30 118.12 2byp s MET 66 Ca 0.25 1.44 -0.16 0.00 -1.71 0.00 0.00 55.69 55.51 2byp s MET 66 Cb 0.16 -2.03 0.03 0.00 2.01 0.00 0.00 34.83 35.00 2byp s MET 66 CO 0.23 -0.76 0.37 1.67 -0.01 0.00 0.00 175.02 176.52 2byp s TRP 67 N -2.02 -0.18 -0.32 -0.03 -2.14 -0.66 -4.95 118.94 108.64 2byp s TRP 67 Ca 0.69 -0.02 -0.25 0.00 2.66 0.00 0.00 56.10 59.18 2byp s TRP 67 Cb -0.20 0.19 0.01 0.00 -3.10 0.00 0.00 33.47 30.37 2byp s TRP 67 CO 0.28 -0.61 0.85 0.34 -2.66 0.00 0.00 176.95 175.15 2byp s ASP 68 N -2.41 6.70 0.50 -2.66 -1.08 -1.26 -4.72 116.67 111.74 2byp s ASP 68 Ca -0.01 0.68 0.21 0.00 -0.52 0.00 0.00 52.55 52.91 2byp s ASP 68 Cb 0.01 -2.43 1.28 0.00 -1.46 0.00 0.00 42.92 40.31 2byp s ASP 68 CO -0.07 -0.70 2.02 -0.65 0.52 0.00 0.00 175.17 176.29 2byp h PRO 69 N 8.19 0.10 0.00 4.34 0.11 -1.94 -2.07 132.00 140.73 2byp h PRO 69 Ca -0.24 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.87 2byp h PRO 69 Cb 1.09 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.18 2byp h PRO 69 CO 0.92 0.07 0.00 -0.91 -0.21 0.00 0.00 178.00 177.87 2byp h ASN 70 N 0.11 0.00 0.95 -2.05 2.35 -1.93 0.29 115.58 115.29 2byp h ASN 70 Ca 0.21 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.96 2byp h ASN 70 Cb 0.70 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.07 2byp h ASN 70 CO -0.02 0.00 -0.03 -0.62 -1.65 0.00 0.00 177.43 175.10 2byp n GLU 71 N -3.01 0.02 -2.77 0.81 1.02 -0.78 -4.31 120.64 111.62 2byp n GLU 71 Ca 0.00 -0.00 -0.03 0.00 -0.02 0.00 0.00 57.16 57.11 2byp n GLU 71 Cb 0.27 -1.50 0.05 0.00 -0.02 0.00 0.00 31.44 30.24 2byp n GLU 71 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 2byp n TYR 72 N -1.49 0.95 -2.76 -0.32 4.02 -0.68 -5.01 117.16 111.87 2byp n TYR 72 Ca 0.07 -2.32 -0.20 0.00 -0.01 0.00 0.00 57.90 55.44 2byp n TYR 72 Cb 0.34 -0.14 0.02 0.00 -0.02 0.00 0.00 39.34 39.54 2byp n TYR 72 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2byp n GLY 73 N -0.47 -0.42 2.39 2.72 0.00 -1.05 -2.15 105.19 106.19 2byp n GLY 73 Ca 0.06 0.01 -0.16 0.00 0.00 0.00 0.00 46.02 45.93 2byp n GLY 73 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2byp n ASN 74 N -2.00 -4.83 -4.67 1.61 5.15 0.92 -4.98 115.26 106.46 2byp n ASN 74 Ca -0.15 0.20 -0.42 0.00 -0.60 0.00 0.00 54.58 53.61 2byp n ASN 74 Cb 0.63 -3.83 -0.03 0.00 -0.53 0.00 0.00 39.78 36.03 2byp n ASN 74 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 2byp s ILE 75 N -2.68 3.70 -0.23 -1.44 1.01 -0.91 -4.87 121.20 115.78 2byp s ILE 75 Ca 0.00 0.98 0.06 0.00 0.00 0.00 0.00 60.65 61.69 2byp s ILE 75 Cb 0.00 -3.63 -0.08 0.00 0.01 0.00 0.00 42.46 38.77 2byp s ILE 75 CO 0.00 -0.05 0.24 0.35 0.00 0.00 0.00 174.94 175.48 2byp n THR 76 N 5.10 0.00 -3.58 2.92 -2.24 -1.26 -4.42 114.28 110.80 2byp n THR 76 Ca 0.15 -0.30 -0.11 0.00 -2.27 0.00 0.00 64.05 61.51 2byp n THR 76 Cb 0.43 0.85 -0.04 0.00 -2.10 0.00 0.00 70.33 69.47 2byp n THR 76 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 2byp s ASP 77 N -1.86 -0.33 0.11 3.42 1.47 -1.26 -1.08 116.67 117.14 2byp s ASP 77 Ca 0.01 -0.19 -0.18 0.00 1.18 0.00 0.00 52.55 53.37 2byp s ASP 77 Cb 0.05 0.50 0.04 0.00 -0.34 0.00 0.00 42.92 43.17 2byp s ASP 77 CO 0.26 -0.86 0.45 0.72 0.68 0.00 0.00 175.17 176.41 2byp s PHE 78 N -3.63 -0.29 -0.07 2.11 -0.12 0.27 -4.99 117.98 111.25 2byp s PHE 78 Ca 0.02 0.06 -0.01 0.00 -0.05 0.00 0.00 56.93 56.95 2byp s PHE 78 Cb 0.01 0.31 -0.03 0.00 -0.63 0.00 0.00 43.02 42.67 2byp s PHE 78 CO -0.11 -0.70 0.01 1.03 -0.05 0.00 0.00 175.22 175.39 2byp s ARG 79 N -3.47 2.95 0.10 1.99 3.00 -1.26 -0.25 118.95 122.01 2byp s ARG 79 Ca 0.01 -0.44 -0.13 0.00 0.00 0.00 0.00 55.73 55.16 2byp s ARG 79 Cb 0.01 -2.78 0.02 0.00 0.00 0.00 0.00 34.95 32.20 2byp s ARG 79 CO -0.10 0.69 0.30 -0.08 0.00 0.00 0.00 175.30 176.11 2byp s THR 80 N -0.93 0.10 0.10 0.02 -1.32 -0.35 -4.99 115.64 108.26 2byp s THR 80 Ca 0.15 -0.84 -0.36 0.00 -1.21 0.00 0.00 61.69 59.43 2byp s THR 80 Cb -0.11 -1.21 -0.16 0.00 -1.51 0.00 0.00 72.50 69.50 2byp s THR 80 CO 0.04 -0.46 1.40 -0.24 -2.21 0.00 0.00 174.62 173.15 2byp n SER 81 N -0.06 1.98 0.29 8.08 2.88 -1.26 -0.67 113.62 124.86 2byp n SER 81 Ca -0.16 1.11 0.18 0.00 -1.33 0.00 0.00 58.87 58.67 2byp n SER 81 Cb 0.63 -1.24 0.99 0.00 -0.75 0.00 0.00 64.21 63.83 2byp n SER 81 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2byp h ALA 82 N 4.89 1.41 0.00 -1.46 0.00 -1.50 -1.16 119.26 121.44 2byp h ALA 82 Ca -0.47 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.42 2byp h ALA 82 Cb 1.32 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.11 2byp h ALA 82 CO 0.80 -0.08 -0.09 0.00 0.00 0.00 0.00 179.25 179.88 2byp h ALA 83 N 1.91 1.08 0.00 0.00 0.00 -1.89 -2.92 119.26 117.44 2byp h ALA 83 Ca 0.02 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2byp h ALA 83 Cb 0.14 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2byp h ALA 83 CO -0.00 0.11 0.00 -0.44 0.00 0.00 0.00 179.25 178.92 2byp h ASP 84 N 0.00 0.00 -3.26 0.00 3.32 -1.57 -3.46 116.42 111.46 2byp h ASP 84 Ca -0.00 0.00 -0.45 0.00 0.02 0.00 0.00 57.03 56.60 2byp h ASP 84 Cb 0.45 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 39.86 2byp h ASP 84 CO 0.01 0.00 -0.70 0.27 -1.72 0.00 0.00 179.24 177.10 2byp s ILE 85 N -3.24 1.55 0.40 0.35 -4.36 -1.10 -4.99 121.20 109.81 2byp s ILE 85 Ca 0.07 -2.14 -0.26 0.00 -0.26 0.00 0.00 60.65 58.06 2byp s ILE 85 Cb 0.10 -2.23 -0.08 0.00 1.25 0.00 0.00 42.46 41.50 2byp s ILE 85 CO 0.49 -0.45 1.24 0.86 0.24 0.00 0.00 174.94 177.32 2byp s TRP 86 N -3.08 2.92 0.04 1.37 -0.00 -1.26 -4.97 118.94 113.96 2byp s TRP 86 Ca 0.26 1.48 0.02 0.00 -0.00 0.00 0.00 56.10 57.85 2byp s TRP 86 Cb 0.02 -3.55 -0.02 0.00 -0.00 0.00 0.00 33.47 29.92 2byp s TRP 86 CO 0.09 -1.75 -0.08 0.95 -0.00 0.00 0.00 176.95 176.16 2byp s THR 87 N -1.33 0.52 0.67 5.86 -4.23 -1.26 -5.10 115.64 110.78 2byp s THR 87 Ca 0.57 -1.03 -0.14 0.00 -1.18 0.00 0.00 61.69 59.91 2byp s THR 87 Cb -0.35 -0.58 0.00 0.00 1.34 0.00 0.00 72.50 72.91 2byp s THR 87 CO 0.44 -0.36 1.08 -2.16 -0.54 0.00 0.00 174.62 173.09 2byp s PRO 88 N -1.50 2.85 -0.53 3.99 0.04 -1.26 -4.95 135.00 133.63 2byp s PRO 88 Ca -0.10 1.23 -0.02 0.00 0.04 0.00 0.00 61.00 62.16 2byp s PRO 88 Cb -0.10 -1.97 0.28 0.00 0.04 0.00 0.00 34.50 32.76 2byp s PRO 88 CO 0.00 -1.19 2.18 -0.40 0.04 0.00 0.00 177.00 177.63 2byp n ASP 89 N -2.64 7.02 -4.70 6.66 5.75 -1.26 -4.97 116.55 122.41 2byp n ASP 89 Ca 0.09 -3.43 -0.42 0.00 -0.01 0.00 0.00 54.79 51.02 2byp n ASP 89 Cb 0.53 -1.07 -0.03 0.00 -1.03 0.00 0.00 41.12 39.52 2byp n ASP 89 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 2byp s ILE 90 N -3.49 3.91 -0.01 2.12 -1.09 -1.26 -2.73 121.20 118.65 2byp s ILE 90 Ca 0.50 1.34 0.01 0.00 -2.23 0.00 0.00 60.65 60.27 2byp s ILE 90 Cb 0.38 -3.86 0.01 0.00 -1.58 0.00 0.00 42.46 37.41 2byp s ILE 90 CO -0.11 0.07 -0.02 -0.89 -1.23 0.00 0.00 174.94 172.76 2byp s THR 91 N 1.51 0.20 -0.04 2.92 2.01 0.32 -4.94 115.64 117.61 2byp s THR 91 Ca 0.60 -0.05 -0.30 0.00 0.31 0.00 0.00 61.69 62.25 2byp s THR 91 Cb -0.30 -0.22 -0.05 0.00 0.01 0.00 0.00 72.50 71.94 2byp s THR 91 CO 0.28 0.09 1.51 0.00 -0.69 0.00 0.00 174.62 175.80 2byp s ALA 92 N 0.29 3.62 -0.65 7.40 0.00 -1.26 -1.67 121.76 129.50 2byp s ALA 92 Ca -0.03 0.87 0.26 0.00 0.00 0.00 0.00 51.96 53.05 2byp s ALA 92 Cb -0.05 -3.67 0.79 0.00 0.00 0.00 0.00 23.12 20.18 2byp s ALA 92 CO -0.01 -1.18 1.75 1.88 0.00 0.00 0.00 175.76 178.21 2byp h TYR 93 N 8.66 0.00 -0.05 0.00 -1.99 -0.88 -3.33 116.97 119.39 2byp h TYR 93 Ca -0.37 0.00 -0.12 0.00 2.00 0.00 0.00 58.73 60.24 2byp h TYR 93 Cb 1.17 0.00 -0.22 0.00 2.00 0.00 0.00 36.73 39.68 2byp h TYR 93 CO 0.82 0.00 -0.79 -1.13 -0.00 0.00 0.00 178.16 177.06 2byp n SER 94 N -2.38 1.51 -4.66 3.88 3.41 -1.26 -5.04 113.62 109.08 2byp n SER 94 Ca 0.05 -2.93 -0.35 0.00 -0.26 0.00 0.00 58.87 55.38 2byp n SER 94 Cb 0.41 -0.41 0.10 0.00 -0.26 0.00 0.00 64.21 64.06 2byp n SER 94 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2byp n SER 95 N -0.33 0.92 0.00 4.04 3.41 -1.25 -1.72 113.62 118.69 2byp n SER 95 Ca 0.13 0.65 0.00 0.00 -0.26 0.00 0.00 58.87 59.40 2byp n SER 95 Cb 0.92 -1.47 0.00 0.00 -0.26 0.00 0.00 64.21 63.40 2byp n SER 95 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2byp n THR 96 N -2.78 0.00 -3.73 6.66 -2.24 -0.31 -4.82 114.28 107.06 2byp n THR 96 Ca 0.14 -0.47 -0.13 0.00 -2.27 0.00 0.00 64.05 61.32 2byp n THR 96 Cb 0.50 1.04 -0.08 0.00 -2.10 0.00 0.00 70.33 69.69 2byp n THR 96 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2byp s ARG 97 N -0.36 0.79 0.30 -0.78 0.52 -1.26 -5.05 118.95 113.12 2byp s ARG 97 Ca 0.00 -0.33 -0.30 0.00 -0.52 0.00 0.00 55.73 54.59 2byp s ARG 97 Cb 0.00 0.35 -0.12 0.00 0.52 0.00 0.00 34.95 35.70 2byp s ARG 97 CO 0.00 -0.25 1.43 -2.30 0.02 0.00 0.00 175.30 174.21 2byp n PRO 98 N 0.83 2.32 -1.91 3.54 -0.02 -1.26 -4.66 135.00 133.83 2byp n PRO 98 Ca -0.20 0.82 -0.41 0.00 -2.02 0.00 0.00 63.50 61.69 2byp n PRO 98 Cb 0.58 -2.49 -0.01 0.00 -0.02 0.00 0.00 33.50 31.56 2byp n PRO 98 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2byp s VAL 99 N -0.49 2.31 -0.14 -1.45 1.01 -1.26 -4.88 120.40 115.51 2byp s VAL 99 Ca 0.61 0.30 -0.05 0.00 0.00 0.00 0.00 61.98 62.84 2byp s VAL 99 Cb -0.56 -3.19 -0.04 0.00 0.00 0.00 0.00 36.38 32.59 2byp s VAL 99 CO 0.55 0.07 0.06 -1.10 0.00 0.00 0.00 175.10 174.67 2byp s GLN 100 N -1.67 3.54 -0.13 2.72 -0.21 -0.58 -4.97 119.66 118.36 2byp s GLN 100 Ca 0.53 -0.32 -0.15 0.00 0.02 0.00 0.00 55.36 55.44 2byp s GLN 100 Cb -0.44 -3.07 -0.05 0.00 1.00 0.00 0.00 33.01 30.46 2byp s GLN 100 CO 0.57 0.52 0.36 0.08 -2.12 0.00 0.00 175.29 174.70 2byp s VAL 101 N -0.34 5.24 -1.20 1.09 1.01 -1.26 -1.28 120.40 123.65 2byp s VAL 101 Ca 0.09 0.70 0.11 0.00 0.00 0.00 0.00 61.98 62.87 2byp s VAL 101 Cb -0.12 -3.69 0.05 0.00 0.00 0.00 0.00 36.38 32.62 2byp s VAL 101 CO 0.02 0.40 0.77 0.18 0.00 0.00 0.00 175.10 176.47 2byp n LEU 102 N 3.33 1.65 -4.24 3.92 4.77 0.34 -4.96 117.00 121.82 2byp n LEU 102 Ca -0.11 -0.91 -0.14 0.00 -0.03 0.00 0.00 56.01 54.82 2byp n LEU 102 Cb 0.52 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.51 2byp n LEU 102 CO 0.40 0.32 -0.40 -0.94 -1.33 0.00 0.00 177.39 175.44 2byp s SER 103 N -1.08 1.67 0.57 -1.43 1.04 -1.25 -4.93 113.70 108.30 2byp s SER 103 Ca 0.11 -1.02 -0.19 0.00 0.48 0.00 0.00 55.95 55.34 2byp s SER 103 Cb 0.09 0.01 -0.06 0.00 0.10 0.00 0.00 66.02 66.15 2byp s SER 103 CO 0.18 -0.36 0.83 -2.65 0.98 0.00 0.00 173.24 172.22 2byp n PRO 104 N -0.17 0.81 -3.42 4.02 -0.02 -1.26 -4.83 135.00 130.13 2byp n PRO 104 Ca -0.10 0.31 -0.43 0.00 -2.02 0.00 0.00 63.50 61.26 2byp n PRO 104 Cb 0.61 -2.01 -0.03 0.00 -0.02 0.00 0.00 33.50 32.05 2byp n PRO 104 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 2byp s GLN 105 N -2.48 3.73 -0.02 -0.52 -1.52 -1.26 -4.83 119.66 112.77 2byp s GLN 105 Ca 0.72 -2.95 0.03 0.00 -1.95 0.00 0.00 55.36 51.22 2byp s GLN 105 Cb -0.44 -4.35 -0.00 0.00 -0.22 0.00 0.00 33.01 28.00 2byp s GLN 105 CO 0.50 -1.25 -0.10 0.42 -0.25 0.00 0.00 175.29 174.61 2byp s ILE 106 N -0.75 0.82 0.27 1.08 1.01 -1.26 -1.27 121.20 121.10 2byp s ILE 106 Ca 0.25 -0.41 0.10 0.00 0.00 0.00 0.00 60.65 60.59 2byp s ILE 106 Cb -0.10 -0.71 -0.04 0.00 0.01 0.00 0.00 42.46 41.61 2byp s ILE 106 CO -0.09 0.24 -0.01 0.00 0.00 0.00 0.00 174.94 175.09 2byp s ALA 107 N -0.00 3.16 -0.17 9.38 0.00 0.16 -4.50 121.76 129.79 2byp s ALA 107 Ca -0.00 -1.66 -0.01 0.00 0.00 0.00 0.00 51.96 50.29 2byp s ALA 107 Cb -0.07 -0.76 -0.01 0.00 0.00 0.00 0.00 23.12 22.29 2byp s ALA 107 CO 0.00 0.26 -0.11 0.08 0.00 0.00 0.00 175.76 175.99 2byp s VAL 108 N -2.33 2.99 -0.12 0.00 1.01 -0.30 -1.22 120.40 120.43 2byp s VAL 108 Ca 0.31 -0.66 0.02 0.00 0.00 0.00 0.00 61.98 61.66 2byp s VAL 108 Cb -0.06 -2.29 -0.00 0.00 0.00 0.00 0.00 36.38 34.02 2byp s VAL 108 CO 0.20 0.49 -0.19 -0.69 0.00 0.00 0.00 175.10 174.91 2byp s VAL 109 N 0.84 2.47 0.24 2.92 1.01 0.65 -1.38 120.40 127.15 2byp s VAL 109 Ca -0.04 -0.87 0.06 0.00 0.00 0.00 0.00 61.98 61.14 2byp s VAL 109 Cb -0.15 -1.99 -0.03 0.00 0.00 0.00 0.00 36.38 34.20 2byp s VAL 109 CO 0.00 0.54 0.27 0.42 0.00 0.00 0.00 175.10 176.33 2byp s THR 110 N 0.43 4.82 0.61 3.92 -4.23 -0.73 -0.57 115.64 119.88 2byp s THR 110 Ca -0.14 -1.19 0.33 0.00 -1.18 0.00 0.00 61.69 59.50 2byp s THR 110 Cb -0.17 -3.60 0.37 0.00 1.34 0.00 0.00 72.50 70.44 2byp s THR 110 CO 0.06 -0.33 2.28 1.12 -0.54 0.00 0.00 174.62 177.21 2byp h HIS 111 N 1.41 0.00 0.00 3.99 2.07 -1.43 -0.34 115.15 120.85 2byp h HIS 111 Ca -0.50 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.02 2byp h HIS 111 Cb 1.23 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.21 2byp h HIS 111 CO 0.51 0.00 0.00 -0.40 -3.07 0.00 0.00 177.93 174.97 2byp n ASP 112 N -3.70 0.00 0.00 3.10 5.75 -1.26 -1.66 116.55 118.78 2byp n ASP 112 Ca -0.03 -1.23 0.00 0.00 -0.01 0.00 0.00 54.79 53.53 2byp n ASP 112 Cb 0.09 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.18 2byp n ASP 112 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2byp n GLY 113 N 0.46 0.76 3.81 6.12 0.00 -0.14 -4.74 105.19 111.47 2byp n GLY 113 Ca 0.09 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.74 2byp n GLY 113 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2byp s SER 114 N -2.59 7.11 -0.01 1.61 1.04 -1.23 -1.41 113.70 118.23 2byp s SER 114 Ca 0.00 1.42 0.08 0.00 0.48 0.00 0.00 55.95 57.93 2byp s SER 114 Cb 0.00 -2.42 -0.02 0.00 0.10 0.00 0.00 66.02 63.68 2byp s SER 114 CO 0.00 0.10 -0.25 -0.69 0.98 0.00 0.00 173.24 173.38 2byp s VAL 115 N -1.39 2.00 -0.08 5.02 1.01 0.18 -1.78 120.40 125.36 2byp s VAL 115 Ca 0.39 -1.14 0.02 0.00 0.00 0.00 0.00 61.98 61.26 2byp s VAL 115 Cb -0.18 -1.67 0.01 0.00 0.00 0.00 0.00 36.38 34.54 2byp s VAL 115 CO 0.22 0.52 -0.13 -0.32 0.00 0.00 0.00 175.10 175.38 2byp s MET 116 N -0.73 1.89 -0.04 2.72 0.00 -0.48 -2.25 119.30 120.42 2byp s MET 116 Ca 0.10 -0.46 0.00 0.00 0.00 0.00 0.00 55.69 55.33 2byp s MET 116 Cb -0.10 -1.60 0.03 0.00 0.00 0.00 0.00 34.83 33.16 2byp s MET 116 CO -0.00 -0.02 -0.01 0.12 0.00 0.00 0.00 175.02 175.10 2byp s PHE 117 N 0.84 0.55 -0.55 4.11 5.36 -0.32 -1.15 117.98 126.82 2byp s PHE 117 Ca -0.11 -0.11 0.05 0.00 -0.96 0.00 0.00 56.93 55.80 2byp s PHE 117 Cb -0.15 -0.60 0.17 0.00 -0.34 0.00 0.00 43.02 42.10 2byp s PHE 117 CO 0.01 -0.20 0.43 -0.89 -1.46 0.00 0.00 175.22 173.11 2byp n ILE 118 N 4.38 0.18 -2.20 3.12 5.41 -1.26 -0.99 119.36 128.00 2byp n ILE 118 Ca -0.21 -4.14 -0.42 0.00 1.00 0.00 0.00 62.75 58.98 2byp n ILE 118 Cb 0.50 -1.91 -0.03 0.00 -0.71 0.00 0.00 39.64 37.49 2byp n ILE 118 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 2byp s PRO 119 N -0.74 4.30 0.09 0.38 0.04 -1.21 -4.79 135.00 133.06 2byp s PRO 119 Ca 0.30 2.01 -0.23 0.00 0.04 0.00 0.00 61.00 63.11 2byp s PRO 119 Cb 0.01 -3.46 -0.07 0.00 0.04 0.00 0.00 34.50 31.02 2byp s PRO 119 CO -0.18 -0.53 0.71 0.00 0.04 0.00 0.00 177.00 177.05 2byp s ALA 120 N 1.94 3.46 -0.02 8.56 0.00 -1.26 -1.66 121.76 132.78 2byp s ALA 120 Ca 0.64 0.24 -0.05 0.00 0.00 0.00 0.00 51.96 52.79 2byp s ALA 120 Cb -0.34 -2.88 0.00 0.00 0.00 0.00 0.00 23.12 19.91 2byp s ALA 120 CO 0.28 0.23 0.12 -0.65 0.00 0.00 0.00 175.76 175.74 2byp s GLN 121 N -0.70 0.32 -0.20 0.00 -0.21 -0.27 -0.50 119.66 118.10 2byp s GLN 121 Ca 0.35 -0.17 -0.05 0.00 0.02 0.00 0.00 55.36 55.50 2byp s GLN 121 Cb -0.21 0.14 -0.03 0.00 1.00 0.00 0.00 33.01 33.91 2byp s GLN 121 CO 0.23 -0.07 0.01 0.50 -2.12 0.00 0.00 175.29 173.85 2byp s ARG 122 N -0.77 3.68 -0.11 2.91 3.52 -0.41 -1.99 118.95 125.78 2byp s ARG 122 Ca -0.09 -0.49 0.02 0.00 -0.13 0.00 0.00 55.73 55.05 2byp s ARG 122 Cb -0.05 -3.11 0.01 0.00 -1.56 0.00 0.00 34.95 30.24 2byp s ARG 122 CO 0.01 0.05 -0.18 -1.17 -0.81 0.00 0.00 175.30 173.20 2byp s LEU 123 N 0.91 1.86 -0.22 -0.88 2.96 -0.34 -1.53 118.68 121.45 2byp s LEU 123 Ca 0.02 -0.48 -0.10 0.00 -0.22 0.00 0.00 54.13 53.34 2byp s LEU 123 Cb -0.14 -1.21 -0.05 0.00 0.50 0.00 0.00 46.19 45.29 2byp s LEU 123 CO 0.02 0.05 0.15 -0.44 -1.32 0.00 0.00 176.35 174.81 2byp s SER 124 N 0.86 6.17 0.16 3.68 0.01 -1.26 -0.79 113.70 122.53 2byp s SER 124 Ca -0.08 0.18 -0.03 0.00 1.31 0.00 0.00 55.95 57.33 2byp s SER 124 Cb -0.15 -2.10 -0.03 0.00 0.21 0.00 0.00 66.02 63.94 2byp s SER 124 CO -0.00 0.12 0.13 0.72 0.41 0.00 0.00 173.24 174.62 2byp s PHE 125 N 0.70 0.88 -0.23 2.43 -0.12 -0.38 -1.16 117.98 120.10 2byp s PHE 125 Ca 0.08 -1.20 -0.29 0.00 -0.05 0.00 0.00 56.93 55.47 2byp s PHE 125 Cb -0.12 -0.42 -0.01 0.00 -0.63 0.00 0.00 43.02 41.84 2byp s PHE 125 CO 0.01 -0.61 1.30 -1.64 -0.05 0.00 0.00 175.22 174.23 2byp s MET 126 N -4.08 4.07 -0.29 1.99 -1.94 -0.70 -1.30 119.30 117.04 2byp s MET 126 Ca 0.28 1.47 -0.13 0.00 -1.71 0.00 0.00 55.69 55.61 2byp s MET 126 Cb 0.06 -3.83 0.12 0.00 2.01 0.00 0.00 34.83 33.19 2byp s MET 126 CO 0.05 -0.92 0.71 0.00 -0.01 0.00 0.00 175.02 174.85 2byp s ASP 128 N 2.36 6.45 -0.02 0.00 -1.08 -1.26 -3.23 116.67 119.89 2byp s ASP 128 Ca -0.07 -0.03 0.04 0.00 -0.52 0.00 0.00 52.55 51.97 2byp s ASP 128 Cb -0.09 -2.43 0.17 0.00 -1.46 0.00 0.00 42.92 39.11 2byp s ASP 128 CO -0.19 -1.05 0.98 -0.81 0.52 0.00 0.00 175.17 174.62 2byp n PRO 129 N 7.11 1.63 -1.61 4.34 -0.04 -1.26 -4.73 135.00 140.43 2byp n PRO 129 Ca 0.04 -0.68 -0.49 0.00 -0.04 0.00 0.00 63.50 62.34 2byp n PRO 129 Cb 0.48 -1.37 -0.04 0.00 -0.04 0.00 0.00 33.50 32.53 2byp n PRO 129 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 2byp n THR 130 N 0.07 0.48 -0.21 0.52 -1.04 -1.26 -1.45 114.28 111.38 2byp n THR 130 Ca 0.06 -0.12 0.00 0.00 -2.04 0.00 0.00 64.05 61.95 2byp n THR 130 Cb 0.29 -1.07 0.00 0.00 -1.82 0.00 0.00 70.33 67.73 2byp n THR 130 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2byp n GLY 131 N 2.43 0.78 0.24 3.41 0.00 -1.26 -4.46 105.19 106.32 2byp n GLY 131 Ca 0.16 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.25 2byp n GLY 131 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 2byp h VAL 132 N 0.00 1.01 -0.69 1.61 3.04 -1.42 -2.34 116.25 117.46 2byp h VAL 132 Ca 0.00 -0.49 -0.43 0.00 -1.01 0.00 0.00 66.70 64.77 2byp h VAL 132 Cb 0.00 1.27 -0.20 0.00 -2.01 0.00 0.00 31.29 30.35 2byp h VAL 132 CO 0.00 0.14 0.55 -0.90 -1.01 0.00 0.00 177.57 176.35 2byp n ASP 133 N -4.24 5.79 -4.11 3.17 5.75 -1.26 -0.63 116.55 121.01 2byp n ASP 133 Ca -0.02 -3.27 -0.10 0.00 -0.01 0.00 0.00 54.79 51.38 2byp n ASP 133 Cb 0.21 -0.93 -0.09 0.00 -1.03 0.00 0.00 41.12 39.28 2byp n ASP 133 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 2byp s SER 134 N -0.61 0.23 0.25 -1.12 1.04 -0.90 -5.02 113.70 107.56 2byp s SER 134 Ca 0.43 -1.15 -0.04 0.00 0.48 0.00 0.00 55.95 55.66 2byp s SER 134 Cb 0.34 0.34 0.40 0.00 0.10 0.00 0.00 66.02 67.20 2byp s SER 134 CO 0.02 -0.78 1.82 -0.08 0.98 0.00 0.00 173.24 175.19 2byp h GLU 135 N 2.76 0.80 0.00 4.02 4.81 -1.91 -2.28 114.58 122.78 2byp h GLU 135 Ca -0.34 -0.05 -0.06 0.00 -0.13 0.00 0.00 59.36 58.78 2byp h GLU 135 Cb 1.21 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 30.40 2byp h GLU 135 CO 0.56 0.53 -0.28 1.05 -0.73 0.00 0.00 179.01 180.13 2byp h GLU 136 N 0.82 0.00 0.00 1.92 9.09 -1.96 -3.50 114.58 120.95 2byp h GLU 136 Ca 0.40 0.00 0.01 0.00 0.05 0.00 0.00 59.36 59.82 2byp h GLU 136 Cb 0.35 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.45 2byp h GLU 136 CO -0.24 0.28 -0.01 0.41 0.05 0.00 0.00 179.01 179.50 2byp n GLY 137 N 0.54 -1.99 3.83 1.06 0.00 -0.86 -4.86 105.19 102.91 2byp n GLY 137 Ca 0.01 -1.39 -0.22 0.00 0.00 0.00 0.00 46.02 44.42 2byp n GLY 137 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2byp s ALA 138 N -1.13 3.60 -0.07 4.61 0.00 0.16 -4.23 121.76 124.70 2byp s ALA 138 Ca 0.00 -1.41 0.01 0.00 0.00 0.00 0.00 51.96 50.56 2byp s ALA 138 Cb 0.00 -1.32 0.02 0.00 0.00 0.00 0.00 23.12 21.82 2byp s ALA 138 CO 0.00 0.25 -0.10 0.99 0.00 0.00 0.00 175.76 176.91 2byp s THR 139 N -2.13 0.99 0.18 0.00 2.01 -1.26 -0.99 115.64 114.44 2byp s THR 139 Ca 0.33 -0.36 0.06 0.00 0.31 0.00 0.00 61.69 62.03 2byp s THR 139 Cb -0.08 -0.94 -0.05 0.00 0.01 0.00 0.00 72.50 71.44 2byp s THR 139 CO 0.25 0.33 -0.12 0.00 -0.69 0.00 0.00 174.62 174.39 2byp s ALA 141 N -3.14 -0.35 -0.05 0.00 0.00 -1.26 -0.93 121.76 116.03 2byp s ALA 141 Ca 0.20 0.23 -0.02 0.00 0.00 0.00 0.00 51.96 52.37 2byp s ALA 141 Cb 0.01 -0.13 0.03 0.00 0.00 0.00 0.00 23.12 23.03 2byp s ALA 141 CO 0.04 -0.12 0.11 0.54 0.00 0.00 0.00 175.76 176.33 2byp s VAL 142 N -0.41 -0.05 -0.03 0.00 0.11 0.19 -4.92 120.40 115.29 2byp s VAL 142 Ca -0.05 0.17 -0.17 0.00 -2.93 0.00 0.00 61.98 59.00 2byp s VAL 142 Cb -0.03 -0.19 -0.05 0.00 -1.53 0.00 0.00 36.38 34.57 2byp s VAL 142 CO 0.01 0.07 0.47 -0.54 -3.33 0.00 0.00 175.10 171.77 2byp s LYS 143 N 1.04 4.15 -0.07 1.54 1.02 -1.26 -0.93 119.74 125.22 2byp s LYS 143 Ca -0.08 0.49 0.02 0.00 0.02 0.00 0.00 55.97 56.41 2byp s LYS 143 Cb -0.11 -3.31 -0.03 0.00 -0.52 0.00 0.00 37.83 33.86 2byp s LYS 143 CO -0.05 0.46 -0.10 -0.06 -0.92 0.00 0.00 175.35 174.69 2byp s PHE 144 N -0.39 2.84 0.12 3.18 0.08 -0.29 -0.10 117.98 123.43 2byp s PHE 144 Ca 0.26 -0.09 -0.25 0.00 0.12 0.00 0.00 56.93 56.97 2byp s PHE 144 Cb -0.17 -1.69 0.08 0.00 -0.57 0.00 0.00 43.02 40.67 2byp s PHE 144 CO 0.13 0.24 1.10 0.20 -0.10 0.00 0.00 175.22 176.79 2byp s GLY 145 N -0.69 -0.04 0.62 4.36 0.00 -0.67 -1.30 107.32 109.62 2byp s GLY 145 Ca 0.10 -0.09 -0.18 0.00 0.00 0.00 0.00 44.72 44.55 2byp s GLY 145 CO 0.01 2.48 1.25 -0.45 0.00 0.00 0.00 173.10 176.40 2byp s SER 146 N -3.38 4.86 0.08 1.64 0.15 -1.26 -0.53 113.70 115.26 2byp s SER 146 Ca 0.21 2.52 0.02 0.00 0.70 0.00 0.00 55.95 59.39 2byp s SER 146 Cb -0.01 -2.61 -0.25 0.00 -1.71 0.00 0.00 66.02 61.44 2byp s SER 146 CO 0.03 -1.83 1.12 -0.25 1.20 0.00 0.00 173.24 173.52 2byp h TRP 147 N 0.69 0.25 0.00 3.44 2.91 -1.89 -3.42 115.95 117.92 2byp h TRP 147 Ca -0.51 -0.18 0.00 0.00 1.13 0.00 0.00 58.89 59.33 2byp h TRP 147 Cb 1.32 -0.01 0.00 0.00 -0.51 0.00 0.00 29.16 29.96 2byp h TRP 147 CO 0.44 1.16 -0.17 1.33 -1.03 0.00 0.00 178.44 180.17 2byp n VAL 148 N -3.41 0.00 -3.98 2.65 0.24 -1.26 -5.07 118.33 107.50 2byp n VAL 148 Ca -0.07 -0.19 -0.35 0.00 -2.04 0.00 0.00 64.34 61.69 2byp n VAL 148 Cb 0.99 0.77 -0.09 0.00 -1.47 0.00 0.00 33.84 34.05 2byp n VAL 148 CO 0.00 0.00 0.00 -0.31 -2.14 0.00 0.00 176.83 174.38 2byp s TYR 149 N -0.71 3.33 1.06 6.34 2.02 -1.26 -5.11 117.35 123.02 2byp s TYR 149 Ca 0.00 0.22 -0.17 0.00 -0.37 0.00 0.00 57.07 56.75 2byp s TYR 149 Cb 0.00 -2.03 0.23 0.00 -0.40 0.00 0.00 41.96 39.76 2byp s TYR 149 CO 0.00 0.33 1.20 -1.54 -1.57 0.00 0.00 175.55 173.97 2byp s SER 150 N -0.07 2.18 0.54 2.29 1.04 -1.26 -4.69 113.70 113.74 2byp s SER 150 Ca 0.07 0.55 0.36 0.00 0.48 0.00 0.00 55.95 57.41 2byp s SER 150 Cb -0.12 -0.77 1.70 0.00 0.10 0.00 0.00 66.02 66.93 2byp s SER 150 CO 0.01 -3.33 2.07 1.23 0.98 0.00 0.00 173.24 174.19 2byp h GLY 151 N -2.05 0.00 2.00 7.32 0.00 -0.90 -0.73 103.07 108.71 2byp h GLY 151 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.87 2byp h GLY 151 CO 0.40 0.00 0.00 0.69 0.00 0.00 0.00 176.54 177.63 2byp n PHE 152 N -2.92 0.12 -0.06 5.60 0.99 -1.26 -3.65 117.46 116.28 2byp n PHE 152 Ca -0.01 0.04 -0.12 0.00 -0.00 0.00 0.00 57.45 57.36 2byp n PHE 152 Cb 0.19 -0.56 -0.04 0.00 -1.00 0.00 0.00 39.48 38.07 2byp n PHE 152 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.76 177.15 2byp n GLU 153 N -1.60 0.24 -4.05 -1.08 1.02 -0.73 -4.09 120.64 110.35 2byp n GLU 153 Ca 0.07 0.10 -0.32 0.00 -0.02 0.00 0.00 57.16 56.99 2byp n GLU 153 Cb 0.34 -0.93 -0.15 0.00 -0.02 0.00 0.00 31.44 30.68 2byp n GLU 153 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2byp s ILE 154 N -2.21 2.04 -0.40 -3.67 1.01 -0.36 -0.95 121.20 116.66 2byp s ILE 154 Ca -0.16 -1.45 -0.26 0.00 0.00 0.00 0.00 60.65 58.78 2byp s ILE 154 Cb 0.06 -2.12 0.02 0.00 0.01 0.00 0.00 42.46 40.43 2byp s ILE 154 CO 0.20 0.05 0.95 -0.62 0.00 0.00 0.00 174.94 175.53 2byp s ASP 155 N 1.18 6.65 -0.14 3.58 2.15 0.51 -3.95 116.67 126.65 2byp s ASP 155 Ca -0.06 0.49 -0.12 0.00 0.43 0.00 0.00 52.55 53.28 2byp s ASP 155 Cb -0.19 -2.47 -0.05 0.00 -0.30 0.00 0.00 42.92 39.91 2byp s ASP 155 CO -0.06 -0.94 0.26 -0.22 -0.17 0.00 0.00 175.17 174.04 2byp s LEU 156 N 3.63 4.28 0.21 -1.34 2.96 -1.26 -0.94 118.68 126.23 2byp s LEU 156 Ca 0.39 0.51 -0.06 0.00 -0.22 0.00 0.00 54.13 54.75 2byp s LEU 156 Cb -0.11 -2.31 -0.03 0.00 0.50 0.00 0.00 46.19 44.25 2byp s LEU 156 CO 0.21 0.18 0.26 -1.59 -1.32 0.00 0.00 176.35 174.10 2byp s LYS 157 N 0.06 1.30 0.10 1.98 -2.85 -0.27 -4.94 119.74 115.12 2byp s LYS 157 Ca 0.16 -1.45 0.09 0.00 -1.00 0.00 0.00 55.97 53.76 2byp s LYS 157 Cb -0.13 0.35 -0.04 0.00 -2.06 0.00 0.00 37.83 35.95 2byp s LYS 157 CO 0.04 -0.47 -0.19 0.95 0.10 0.00 0.00 175.35 175.77 2byp s THR 158 N -4.09 2.76 -0.07 3.79 -4.23 -1.26 -0.61 115.64 111.93 2byp s THR 158 Ca 0.31 -1.47 0.13 0.00 -1.18 0.00 0.00 61.69 59.48 2byp s THR 158 Cb 0.04 -2.24 -0.09 0.00 1.34 0.00 0.00 72.50 71.56 2byp s THR 158 CO 0.09 0.15 1.16 0.44 -0.54 0.00 0.00 174.62 175.92 2byp h ASP 159 N 3.92 0.00 -4.99 3.99 3.32 -1.95 -3.47 116.42 117.24 2byp h ASP 159 Ca -0.49 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 56.40 2byp h ASP 159 Cb 1.17 0.00 -0.21 0.00 0.22 0.00 0.00 39.33 40.51 2byp h ASP 159 CO 0.45 0.70 -0.60 0.28 -1.72 0.00 0.00 179.24 178.35 2byp s THR 160 N -2.85 0.10 -2.10 0.35 -1.32 -1.26 -5.04 115.64 103.52 2byp s THR 160 Ca 0.01 -0.83 0.29 0.00 -1.21 0.00 0.00 61.69 59.94 2byp s THR 160 Cb 0.08 -0.37 0.56 0.00 -1.51 0.00 0.00 72.50 71.26 2byp s THR 160 CO 0.79 -0.46 1.84 -0.90 -2.21 0.00 0.00 174.62 173.68 2byp n ASP 161 N 1.48 0.91 -4.61 8.08 5.75 -1.26 -4.75 116.55 122.16 2byp n ASP 161 Ca -0.23 -1.11 -0.41 0.00 -0.01 0.00 0.00 54.79 53.03 2byp n ASP 161 Cb 0.55 0.00 -0.07 0.00 -1.03 0.00 0.00 41.12 40.58 2byp n ASP 161 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 2byp s GLN 162 N -2.18 3.99 0.46 0.11 -1.52 -1.26 -1.18 119.66 118.07 2byp s GLN 162 Ca 0.36 0.39 -0.25 0.00 -1.95 0.00 0.00 55.36 53.91 2byp s GLN 162 Cb 0.21 -3.69 -0.08 0.00 -0.22 0.00 0.00 33.01 29.23 2byp s GLN 162 CO 0.40 -0.49 1.36 0.08 -0.25 0.00 0.00 175.29 176.38 2byp s VAL 163 N 2.54 2.32 -0.46 1.09 1.01 -0.79 -4.84 120.40 121.27 2byp s VAL 163 Ca 0.25 0.27 -0.29 0.00 0.00 0.00 0.00 61.98 62.21 2byp s VAL 163 Cb -0.15 -3.15 0.02 0.00 0.00 0.00 0.00 36.38 33.10 2byp s VAL 163 CO 0.10 0.03 1.23 -0.62 0.00 0.00 0.00 175.10 175.84 2byp s ASP 164 N -0.73 6.53 0.00 3.32 3.68 -0.13 -4.86 116.67 124.48 2byp s ASP 164 Ca 0.62 0.59 0.15 0.00 2.13 0.00 0.00 52.55 56.04 2byp s ASP 164 Cb -0.40 -2.55 0.37 0.00 -1.45 0.00 0.00 42.92 38.89 2byp s ASP 164 CO 0.51 -1.32 1.29 0.18 0.13 0.00 0.00 175.17 175.95 2byp n LEU 165 N 8.18 3.11 0.13 -1.34 4.77 -1.26 -1.59 117.00 129.00 2byp n LEU 165 Ca 0.14 -1.78 0.12 0.00 -0.03 0.00 0.00 56.01 54.45 2byp n LEU 165 Cb 0.49 -0.26 0.49 0.00 -2.33 0.00 0.00 43.42 41.81 2byp n LEU 165 CO 0.71 0.74 0.85 -1.54 -1.33 0.00 0.00 177.39 176.82 2byp n SER 166 N 0.94 0.63 -0.43 -1.43 3.41 -1.26 -2.11 113.62 113.38 2byp n SER 166 Ca 0.15 0.67 0.04 0.00 -0.26 0.00 0.00 58.87 59.47 2byp n SER 166 Cb 0.48 -0.80 0.11 0.00 -0.26 0.00 0.00 64.21 63.74 2byp n SER 166 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2byp n SER 167 N -2.21 2.66 -4.76 4.04 7.64 -1.26 -5.06 113.62 114.67 2byp n SER 167 Ca 0.02 -2.08 -0.41 0.00 1.01 0.00 0.00 58.87 57.41 2byp n SER 167 Cb 0.21 -0.18 -0.02 0.00 -1.01 0.00 0.00 64.21 63.21 2byp n SER 167 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 2byp s TYR 168 N -1.14 2.86 -0.16 1.43 5.04 -0.90 -4.66 117.35 119.83 2byp s TYR 168 Ca 0.17 1.10 -0.29 0.00 -2.44 0.00 0.00 57.07 55.61 2byp s TYR 168 Cb 0.10 -3.89 -0.05 0.00 0.35 0.00 0.00 41.96 38.47 2byp s TYR 168 CO 0.10 -2.74 1.85 -0.47 -1.34 0.00 0.00 175.55 172.94 2byp s TYR 169 N -0.55 1.67 0.51 4.97 5.04 0.56 -4.88 117.35 124.68 2byp s TYR 169 Ca 0.56 0.29 0.16 0.00 -2.44 0.00 0.00 57.07 55.65 2byp s TYR 169 Cb -0.44 -4.03 1.24 0.00 0.35 0.00 0.00 41.96 39.08 2byp s TYR 169 CO 0.51 -3.87 2.12 0.00 -1.34 0.00 0.00 175.55 172.98 2byp h ALA 170 N 11.73 1.92 -0.58 3.97 0.00 -1.90 -2.20 119.26 132.20 2byp h ALA 170 Ca -0.39 -0.03 -0.24 0.00 0.00 0.00 0.00 54.91 54.25 2byp h ALA 170 Cb 1.19 -0.01 -0.14 0.00 0.00 0.00 0.00 17.79 18.84 2byp h ALA 170 CO 0.98 0.04 0.18 0.43 0.00 0.00 0.00 179.25 180.88 2byp n SER 171 N -4.47 3.53 -4.60 0.00 7.64 -1.26 -5.03 113.62 109.43 2byp n SER 171 Ca -0.03 -3.49 -0.32 0.00 1.01 0.00 0.00 58.87 56.04 2byp n SER 171 Cb 0.12 -0.69 0.15 0.00 -1.01 0.00 0.00 64.21 62.78 2byp n SER 171 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2byp n SER 172 N -0.82 -0.28 0.25 6.43 2.88 -0.83 -4.90 113.62 116.35 2byp n SER 172 Ca 0.39 0.41 0.13 0.00 -1.33 0.00 0.00 58.87 58.48 2byp n SER 172 Cb 1.24 -1.40 0.62 0.00 -0.75 0.00 0.00 64.21 63.92 2byp n SER 172 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 2byp h LYS 173 N -1.69 0.00 -5.23 -1.46 1.79 -1.91 -3.43 116.57 104.63 2byp h LYS 173 Ca -0.43 0.00 -0.63 0.00 -2.18 0.00 0.00 60.65 57.40 2byp h LYS 173 Cb 1.28 0.00 -0.33 0.00 -1.58 0.00 0.00 32.23 31.60 2byp h LYS 173 CO 0.40 0.12 -0.86 0.71 -1.08 0.00 0.00 179.45 178.74 2byp s TYR 174 N -3.78 2.20 0.22 -1.35 1.51 -1.26 -1.10 117.35 113.79 2byp s TYR 174 Ca -0.00 -0.84 -0.08 0.00 -1.01 0.00 0.00 57.07 55.14 2byp s TYR 174 Cb 0.10 -1.49 -0.07 0.00 -0.11 0.00 0.00 41.96 40.40 2byp s TYR 174 CO 0.59 -0.34 0.51 -1.83 -1.11 0.00 0.00 175.55 173.37 2byp s GLU 175 N 0.33 3.74 -0.24 -0.62 -1.05 0.09 -4.81 118.70 116.13 2byp s GLU 175 Ca -0.15 0.16 -0.17 0.00 -0.15 0.00 0.00 54.97 54.67 2byp s GLU 175 Cb -0.16 -2.69 -0.03 0.00 -0.44 0.00 0.00 34.13 30.80 2byp s GLU 175 CO 0.06 0.34 0.45 0.42 0.95 0.00 0.00 175.26 177.49 2byp s ILE 176 N -1.81 5.13 -0.07 1.83 -1.09 -1.26 -1.79 121.20 122.14 2byp s ILE 176 Ca 0.46 0.77 0.08 0.00 -2.23 0.00 0.00 60.65 59.72 2byp s ILE 176 Cb -0.11 -3.77 -0.24 0.00 -1.58 0.00 0.00 42.46 36.76 2byp s ILE 176 CO 0.23 0.15 0.54 0.18 -1.23 0.00 0.00 174.94 174.82 2byp n LEU 177 N 5.16 1.33 -3.54 2.97 4.77 0.12 -4.98 117.00 122.83 2byp n LEU 177 Ca -0.06 0.33 -0.14 0.00 -0.03 0.00 0.00 56.01 56.12 2byp n LEU 177 Cb 0.50 -0.17 -0.05 0.00 -2.33 0.00 0.00 43.42 41.38 2byp n LEU 177 CO 0.40 0.52 0.61 -0.94 -1.33 0.00 0.00 177.39 176.64 2byp s SER 178 N -6.32 -0.51 -0.16 -1.43 1.04 -0.92 -4.97 113.70 100.44 2byp s SER 178 Ca -0.10 0.50 -0.06 0.00 0.48 0.00 0.00 55.95 56.77 2byp s SER 178 Cb 0.08 0.43 0.08 0.00 0.10 0.00 0.00 66.02 66.70 2byp s SER 178 CO 0.81 -0.51 0.33 0.00 0.98 0.00 0.00 173.24 174.85 2byp s ALA 179 N -1.40 -0.83 0.11 5.32 0.00 -1.26 -0.88 121.76 122.82 2byp s ALA 179 Ca -0.05 1.19 0.08 0.00 0.00 0.00 0.00 51.96 53.18 2byp s ALA 179 Cb -0.00 -1.14 -0.04 0.00 0.00 0.00 0.00 23.12 21.94 2byp s ALA 179 CO 0.04 -0.68 -0.20 0.95 0.00 0.00 0.00 175.76 175.87 2byp s THR 180 N 2.47 1.70 -0.32 0.00 -4.23 -0.76 -1.88 115.64 112.62 2byp s THR 180 Ca -0.00 -1.59 -0.01 0.00 -1.18 0.00 0.00 61.69 58.91 2byp s THR 180 Cb -0.12 -1.58 0.10 0.00 1.34 0.00 0.00 72.50 72.25 2byp s THR 180 CO -0.10 -0.10 0.11 0.00 -0.54 0.00 0.00 174.62 173.98 2byp s GLN 181 N -2.03 0.69 -0.15 3.99 -2.07 -0.33 -1.29 119.66 118.48 2byp s GLN 181 Ca 0.07 -1.09 0.02 0.00 -1.82 0.00 0.00 55.36 52.54 2byp s GLN 181 Cb -0.09 -1.91 0.01 0.00 -1.09 0.00 0.00 33.01 29.93 2byp s GLN 181 CO 0.04 -1.01 -0.19 0.99 -1.32 0.00 0.00 175.29 173.80 2byp s THR 182 N 1.57 1.91 0.21 3.63 2.01 -0.69 -4.11 115.64 120.17 2byp s THR 182 Ca 0.10 -0.87 -0.32 0.00 0.31 0.00 0.00 61.69 60.92 2byp s THR 182 Cb -0.18 -1.72 -0.11 0.00 0.01 0.00 0.00 72.50 70.50 2byp s THR 182 CO -0.24 0.52 1.66 -0.60 -0.69 0.00 0.00 174.62 175.26 2byp s ARG 183 N 1.05 4.15 -0.03 4.92 3.52 -1.26 -1.35 118.95 129.95 2byp s ARG 183 Ca -0.02 2.53 0.03 0.00 -0.13 0.00 0.00 55.73 58.14 2byp s ARG 183 Cb -0.14 -3.09 -0.00 0.00 -1.56 0.00 0.00 34.95 30.15 2byp s ARG 183 CO -0.06 -0.69 -0.12 -0.65 -0.81 0.00 0.00 175.30 172.97 2byp s GLN 184 N 0.90 1.25 -0.12 5.12 -0.21 0.51 -4.94 119.66 122.18 2byp s GLN 184 Ca 0.72 -0.43 0.02 0.00 0.02 0.00 0.00 55.36 55.68 2byp s GLN 184 Cb -0.48 -1.14 -0.01 0.00 1.00 0.00 0.00 33.01 32.39 2byp s GLN 184 CO 0.34 0.18 -0.19 0.08 -2.12 0.00 0.00 175.29 173.58 2byp s VAL 185 N 0.06 2.45 0.31 1.09 1.01 -1.26 -0.96 120.40 123.11 2byp s VAL 185 Ca -0.02 -0.87 0.11 0.00 0.00 0.00 0.00 61.98 61.19 2byp s VAL 185 Cb -0.09 -1.98 -0.06 0.00 0.00 0.00 0.00 36.38 34.25 2byp s VAL 185 CO 0.01 0.54 -0.15 -1.10 0.00 0.00 0.00 175.10 174.41 2byp s GLN 186 N 0.39 1.75 0.06 2.72 -0.21 -0.11 -4.97 119.66 119.29 2byp s GLN 186 Ca -0.15 -1.86 0.08 0.00 0.02 0.00 0.00 55.36 53.46 2byp s GLN 186 Cb -0.17 -1.73 -0.03 0.00 1.00 0.00 0.00 33.01 32.08 2byp s GLN 186 CO 0.07 0.23 -0.22 -1.01 -2.12 0.00 0.00 175.29 172.24 2byp s HIS 187 N -2.56 1.94 -0.04 0.91 3.76 -1.26 -0.82 115.29 117.22 2byp s HIS 187 Ca 0.31 -0.39 -0.01 0.00 -0.15 0.00 0.00 55.06 54.82 2byp s HIS 187 Cb -0.01 -1.13 -0.04 0.00 1.11 0.00 0.00 32.58 32.51 2byp s HIS 187 CO 0.16 0.14 0.07 0.71 -0.85 0.00 0.00 174.74 174.97 2byp s TYR 188 N -0.90 3.29 0.45 1.40 2.02 -1.26 -5.01 117.35 117.33 2byp s TYR 188 Ca 0.09 0.24 0.20 0.00 -0.37 0.00 0.00 57.07 57.22 2byp s TYR 188 Cb -0.09 -1.77 1.22 0.00 -0.40 0.00 0.00 41.96 40.92 2byp s TYR 188 CO 0.03 0.55 2.04 0.66 -1.57 0.00 0.00 175.55 177.26 2byp h SER 189 N 4.44 0.00 0.12 2.29 4.64 -2.01 -0.90 113.55 122.14 2byp h SER 189 Ca -0.50 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.81 2byp h SER 189 Cb 1.19 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.28 2byp h SER 189 CO 0.60 0.15 -0.04 0.00 -0.87 0.00 0.00 176.83 176.67 2byp h PRO 192 N 6.14 0.07 -6.88 0.00 0.13 -1.90 -3.37 132.00 126.18 2byp h PRO 192 Ca -0.28 -0.06 -0.55 0.00 -0.87 0.00 0.00 66.00 64.24 2byp h PRO 192 Cb 1.19 0.01 0.11 0.00 0.13 0.00 0.00 31.00 32.44 2byp h PRO 192 CO 0.42 0.76 0.70 0.39 -0.23 0.00 0.00 178.00 180.04 2byp n GLU 193 N -3.71 2.52 -2.67 0.86 4.71 -1.26 -5.00 120.64 116.10 2byp n GLU 193 Ca -0.02 0.88 -0.37 0.00 -0.01 0.00 0.00 57.16 57.65 2byp n GLU 193 Cb 0.71 -2.57 -0.05 0.00 -1.01 0.00 0.00 31.44 28.51 2byp n GLU 193 CO 0.00 0.00 0.00 -1.25 0.09 0.00 0.00 177.13 175.97 2byp s PRO 194 N -2.03 4.45 -0.20 3.49 0.04 -1.26 -4.59 135.00 134.91 2byp s PRO 194 Ca 0.54 1.44 -0.02 0.00 0.04 0.00 0.00 61.00 62.99 2byp s PRO 194 Cb -0.50 -2.75 -0.00 0.00 0.04 0.00 0.00 34.50 31.28 2byp s PRO 194 CO 0.63 0.13 -0.09 0.71 0.04 0.00 0.00 177.00 178.43 2byp s TYR 195 N -1.58 2.90 -0.15 0.56 2.02 0.00 -0.48 117.35 120.62 2byp s TYR 195 Ca 0.52 -1.01 0.01 0.00 -0.37 0.00 0.00 57.07 56.22 2byp s TYR 195 Cb -0.21 -2.02 -0.00 0.00 -0.40 0.00 0.00 41.96 39.33 2byp s TYR 195 CO 0.27 -0.53 -0.17 0.42 -1.57 0.00 0.00 175.55 173.97 2byp s ILE 196 N 1.23 2.56 0.24 2.71 1.01 -1.26 -0.93 121.20 126.75 2byp s ILE 196 Ca 0.03 -0.81 0.11 0.00 0.00 0.00 0.00 60.65 59.98 2byp s ILE 196 Cb -0.14 -2.07 -0.05 0.00 0.01 0.00 0.00 42.46 40.21 2byp s ILE 196 CO -0.03 0.52 -0.19 -1.81 0.00 0.00 0.00 174.94 173.43 2byp s ASP 197 N 0.77 3.65 -0.28 3.58 1.01 -0.13 -4.71 116.67 120.56 2byp s ASP 197 Ca -0.06 -0.90 -0.05 0.00 0.71 0.00 0.00 52.55 52.25 2byp s ASP 197 Cb -0.15 -0.36 0.01 0.00 1.01 0.00 0.00 42.92 43.43 2byp s ASP 197 CO 0.00 0.08 0.02 -0.69 0.21 0.00 0.00 175.17 174.79 2byp s VAL 198 N -2.09 3.55 -0.37 -1.27 1.01 -0.42 -0.36 120.40 120.45 2byp s VAL 198 Ca 0.26 -0.81 -0.19 0.00 0.00 0.00 0.00 61.98 61.24 2byp s VAL 198 Cb -0.07 -2.82 0.00 0.00 0.00 0.00 0.00 36.38 33.50 2byp s VAL 198 CO 0.13 0.13 0.57 0.21 0.00 0.00 0.00 175.10 176.14 2byp s ASN 199 N 1.43 6.35 -0.34 3.32 2.47 -0.46 -1.14 114.94 126.57 2byp s ASN 199 Ca 0.02 -0.05 -0.20 0.00 0.42 0.00 0.00 52.86 53.05 2byp s ASN 199 Cb -0.17 -2.29 -0.00 0.00 -1.45 0.00 0.00 41.25 37.34 2byp s ASN 199 CO -0.00 -0.57 0.63 -0.22 -3.72 0.00 0.00 177.10 173.22 2byp s LEU 200 N 2.55 4.23 -0.23 3.21 2.96 -0.11 -1.70 118.68 129.59 2byp s LEU 200 Ca 0.21 0.21 -0.01 0.00 -0.22 0.00 0.00 54.13 54.33 2byp s LEU 200 Cb -0.15 -2.79 0.02 0.00 0.50 0.00 0.00 46.19 43.78 2byp s LEU 200 CO 0.15 -0.56 -0.10 -0.69 -1.32 0.00 0.00 176.35 173.82 2byp s VAL 201 N 2.68 2.64 -0.15 1.68 1.01 -0.41 -0.64 120.40 127.21 2byp s VAL 201 Ca 0.24 -1.02 0.00 0.00 0.00 0.00 0.00 61.98 61.21 2byp s VAL 201 Cb -0.15 -2.29 -0.01 0.00 0.00 0.00 0.00 36.38 33.94 2byp s VAL 201 CO 0.14 0.28 -0.15 -0.69 0.00 0.00 0.00 175.10 174.68 2byp s VAL 202 N 1.31 2.74 -0.20 2.92 1.01 -0.10 -1.83 120.40 126.25 2byp s VAL 202 Ca 0.01 -0.75 -0.05 0.00 0.00 0.00 0.00 61.98 61.19 2byp s VAL 202 Cb -0.16 -2.15 -0.02 0.00 0.00 0.00 0.00 36.38 34.05 2byp s VAL 202 CO -0.07 0.52 -0.00 -0.54 0.00 0.00 0.00 175.10 175.01 2byp s LYS 203 N 0.69 3.63 0.09 2.72 1.02 -0.06 -1.04 119.74 126.78 2byp s LYS 203 Ca -0.07 -0.52 -0.07 0.00 0.02 0.00 0.00 55.97 55.33 2byp s LYS 203 Cb -0.16 -3.07 -0.01 0.00 -0.52 0.00 0.00 37.83 34.08 2byp s LYS 203 CO 0.02 0.04 0.15 -0.59 -0.92 0.00 0.00 175.35 174.05 2byp s PHE 204 N 0.93 0.25 0.11 3.18 -0.12 -0.16 0.16 117.98 122.33 2byp s PHE 204 Ca 0.01 -0.70 -0.09 0.00 -0.05 0.00 0.00 56.93 56.10 2byp s PHE 204 Cb -0.14 -0.13 -0.00 0.00 -0.63 0.00 0.00 43.02 42.12 2byp s PHE 204 CO 0.02 -0.53 0.24 -0.98 -0.05 0.00 0.00 175.22 173.92 2byp s ARG 205 N -3.88 0.96 0.25 1.99 1.70 -0.74 0.37 118.95 119.60 2byp s ARG 205 Ca 0.07 -1.00 -0.30 0.00 -0.47 0.00 0.00 55.73 54.02 2byp s ARG 205 Cb 0.05 0.37 -0.11 0.00 -0.57 0.00 0.00 34.95 34.69 2byp s ARG 205 CO -0.10 -0.33 1.54 -1.21 -1.08 0.00 0.00 175.30 174.12 2byp s GLU 206 N -3.89 4.20 0.43 3.89 2.02 0.19 -0.73 118.70 124.81 2byp s GLU 206 Ca 0.08 2.43 -0.25 0.00 0.02 0.00 0.00 54.97 57.25 2byp s GLU 206 Cb 0.04 -3.08 -0.08 0.00 0.10 0.00 0.00 34.13 31.10 2byp s GLU 206 CO -0.08 -0.55 1.34 0.50 0.02 0.00 0.00 175.26 176.48 2byp s ARG 207 N -0.04 3.84 0.00 1.61 3.52 -0.26 -4.74 118.95 122.88 2byp s ARG 207 Ca 0.64 2.22 0.31 0.00 -0.13 0.00 0.00 55.73 58.77 2byp s ARG 207 Cb -0.45 -2.69 1.74 0.00 -1.56 0.00 0.00 34.95 31.99 2byp s ARG 207 CO 0.42 -0.62 2.13 0.54 -0.81 0.00 0.00 175.30 176.96