#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bkr h SER 3 N 0.00 1.04 -0.60 3.14 0.87 -2.05 0.37 113.55 116.32 1bkr h SER 3 Ca 0.00 -0.30 -0.03 0.00 -1.23 0.00 0.00 61.79 60.23 1bkr h SER 3 Cb 0.00 -0.28 -0.03 0.00 -0.44 0.00 0.00 62.40 61.65 1bkr h SER 3 CO 0.00 1.09 0.25 0.00 -0.53 0.00 0.00 176.83 177.64 1bkr h ALA 4 N 0.99 0.78 -0.32 6.23 0.00 -2.05 0.74 119.26 125.63 1bkr h ALA 4 Ca 0.17 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 1bkr h ALA 4 Cb 0.55 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1bkr h ALA 4 CO 0.03 0.39 -0.04 0.87 0.00 0.00 0.00 179.25 180.50 1bkr h LYS 5 N 0.83 0.59 -0.81 0.00 1.57 -1.95 -0.44 116.57 116.37 1bkr h LYS 5 Ca 0.20 -0.21 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 1bkr h LYS 5 Cb 0.19 -0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.42 1bkr h LYS 5 CO -0.02 0.75 0.46 -0.44 -0.57 0.00 0.00 179.45 179.63 1bkr h ASP 6 N 0.37 1.00 -0.72 0.86 3.32 -0.82 -0.37 116.42 120.07 1bkr h ASP 6 Ca 0.08 -0.09 -0.03 0.00 0.02 0.00 0.00 57.03 57.02 1bkr h ASP 6 Cb 0.51 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.78 1bkr h ASP 6 CO 0.02 0.79 0.34 0.00 -1.72 0.00 0.00 179.24 178.68 1bkr h ALA 7 N 1.24 0.93 -0.56 3.45 0.00 -0.63 -0.99 119.26 122.70 1bkr h ALA 7 Ca 0.29 -0.15 -0.10 0.00 0.00 0.00 0.00 54.91 54.95 1bkr h ALA 7 Cb 0.01 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 1bkr h ALA 7 CO -0.05 0.49 -0.04 1.25 0.00 0.00 0.00 179.25 180.91 1bkr h LEU 8 N 1.01 1.00 -0.24 0.00 5.85 -0.62 0.09 115.31 122.39 1bkr h LEU 8 Ca 0.25 -0.32 0.01 0.00 0.84 0.00 0.00 57.88 58.65 1bkr h LEU 8 Cb 0.12 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 40.87 1bkr h LEU 8 CO -0.03 1.08 0.14 0.25 -0.34 0.00 0.00 178.44 179.55 1bkr h LEU 9 N 0.89 0.24 -0.77 2.25 5.85 -0.83 -1.39 115.31 121.54 1bkr h LEU 9 Ca 0.15 -0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.85 1bkr h LEU 9 Cb 0.59 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.54 1bkr h LEU 9 CO 0.04 0.17 0.39 0.25 -0.34 0.00 0.00 178.44 178.95 1bkr h LEU 10 N 0.30 0.99 -0.38 2.25 5.85 -1.01 -0.33 115.31 122.98 1bkr h LEU 10 Ca 0.09 -0.12 0.05 0.00 0.84 0.00 0.00 57.88 58.75 1bkr h LEU 10 Cb -0.01 -0.25 -0.05 0.00 0.37 0.00 0.00 40.66 40.72 1bkr h LEU 10 CO -0.04 0.83 0.10 -0.25 -0.34 0.00 0.00 178.44 178.74 1bkr h TRP 11 N 1.08 0.16 -0.56 1.25 7.01 -0.63 0.76 115.95 125.04 1bkr h TRP 11 Ca 0.27 0.02 -0.00 0.00 2.11 0.00 0.00 58.89 61.29 1bkr h TRP 11 Cb 0.09 -0.02 -0.03 0.00 -2.10 0.00 0.00 29.16 27.10 1bkr h TRP 11 CO 0.01 0.04 0.33 0.00 -2.79 0.00 0.00 178.44 176.03 1bkr h GLN 13 N 0.75 1.02 -0.14 0.00 4.20 -0.38 -2.27 115.11 118.29 1bkr h GLN 13 Ca 0.20 -0.14 -0.18 0.00 0.06 0.00 0.00 58.65 58.59 1bkr h GLN 13 Cb -0.01 -0.19 -0.00 0.00 0.30 0.00 0.00 27.48 27.58 1bkr h GLN 13 CO -0.04 0.79 -0.65 0.52 -0.67 0.00 0.00 178.83 178.78 1bkr h MET 14 N 1.00 0.55 -0.01 1.46 2.86 -0.56 -2.40 114.93 117.82 1bkr h MET 14 Ca 0.25 -0.40 -0.09 0.00 -2.06 0.00 0.00 59.70 57.40 1bkr h MET 14 Cb 0.09 0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.81 1bkr h MET 14 CO -0.03 1.02 -0.44 0.87 1.06 0.00 0.00 176.91 179.38 1bkr h LYS 15 N 0.40 0.02 -0.47 1.72 1.79 -1.10 -3.07 116.57 115.86 1bkr h LYS 15 Ca -0.02 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.44 1bkr h LYS 15 Cb 1.22 -0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.87 1bkr h LYS 15 CO 0.12 0.46 0.00 0.25 -1.08 0.00 0.00 179.45 179.20 1bkr n THR 16 N -4.01 1.88 -1.71 -0.16 -2.24 -0.86 -4.88 114.28 102.29 1bkr n THR 16 Ca -0.02 -1.37 -0.43 0.00 -2.27 0.00 0.00 64.05 59.96 1bkr n THR 16 Cb 0.47 0.06 -0.01 0.00 -2.10 0.00 0.00 70.33 68.74 1bkr n THR 16 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1bkr n ALA 17 N 0.48 1.74 -0.59 6.98 0.00 -0.92 -1.81 120.51 126.40 1bkr n ALA 17 Ca 0.22 0.38 0.00 0.00 0.00 0.00 0.00 53.44 54.04 1bkr n ALA 17 Cb 0.82 -2.34 0.00 0.00 0.00 0.00 0.00 19.45 17.93 1bkr n ALA 17 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1bkr n GLY 18 N 1.58 1.52 3.71 0.00 0.00 -1.26 -5.01 105.19 105.73 1bkr n GLY 18 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 1bkr n GLY 18 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1bkr s TYR 19 N -3.31 3.31 0.43 1.61 1.51 -0.75 -4.98 117.35 115.17 1bkr s TYR 19 Ca 0.00 1.21 -0.25 0.00 -1.01 0.00 0.00 57.07 57.02 1bkr s TYR 19 Cb 0.00 -3.46 -0.08 0.00 -0.11 0.00 0.00 41.96 38.31 1bkr s TYR 19 CO 0.00 -1.48 1.28 -2.14 -1.11 0.00 0.00 175.55 172.10 1bkr s PRO 20 N 1.44 3.85 -1.67 -1.71 0.02 -1.26 -3.36 135.00 132.31 1bkr s PRO 20 Ca 0.59 2.09 -0.02 0.00 0.02 0.00 0.00 61.00 63.69 1bkr s PRO 20 Cb -0.29 -2.64 0.00 0.00 0.02 0.00 0.00 34.50 31.59 1bkr s PRO 20 CO 0.27 -0.57 0.21 0.09 -0.33 0.00 0.00 177.00 176.67 1bkr n ASN 21 N -0.10 -5.90 -4.10 2.53 3.02 -1.26 -4.98 115.26 104.47 1bkr n ASN 21 Ca 0.05 -0.11 -0.30 0.00 -0.03 0.00 0.00 54.58 54.19 1bkr n ASN 21 Cb 0.44 -4.84 -0.17 0.00 -0.61 0.00 0.00 39.78 34.61 1bkr n ASN 21 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1bkr s VAL 22 N -3.07 1.69 -0.31 2.41 1.01 -1.21 -4.83 120.40 116.09 1bkr s VAL 22 Ca 0.10 -0.77 -0.02 0.00 0.00 0.00 0.00 61.98 61.30 1bkr s VAL 22 Cb -0.05 -1.52 0.12 0.00 0.00 0.00 0.00 36.38 34.94 1bkr s VAL 22 CO 0.13 0.48 0.22 0.21 0.00 0.00 0.00 175.10 176.14 1bkr s ASN 23 N 0.85 2.63 -0.36 3.32 3.84 -1.26 -4.90 114.94 119.06 1bkr s ASN 23 Ca -0.08 -1.28 -0.13 0.00 0.21 0.00 0.00 52.86 51.58 1bkr s ASN 23 Cb -0.15 0.01 0.00 0.00 -0.55 0.00 0.00 41.25 40.56 1bkr s ASN 23 CO -0.00 -0.39 0.24 -0.63 -2.79 0.00 0.00 177.10 173.53 1bkr s ILE 24 N 1.97 5.05 0.00 -5.21 1.01 -1.26 -4.71 121.20 118.05 1bkr s ILE 24 Ca 0.11 -0.49 0.00 0.00 0.00 0.00 0.00 60.65 60.27 1bkr s ILE 24 Cb -0.16 -3.70 0.00 0.00 0.01 0.00 0.00 42.46 38.61 1bkr s ILE 24 CO -0.27 -0.13 0.13 1.41 0.00 0.00 0.00 174.94 176.08 1bkr n HIS 25 N 5.09 0.00 -3.63 3.97 8.25 -1.26 -4.87 115.22 122.76 1bkr n HIS 25 Ca -0.12 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.29 1bkr n HIS 25 Cb 0.48 0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.61 1bkr n HIS 25 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 1bkr n ASN 26 N -0.33 -1.52 -1.39 0.41 0.23 -1.26 -5.06 115.26 106.35 1bkr n ASN 26 Ca 0.00 -1.98 -0.10 0.00 -0.53 0.00 0.00 54.58 51.97 1bkr n ASN 26 Cb 0.05 2.51 0.16 0.00 -2.08 0.00 0.00 39.78 40.42 1bkr n ASN 26 CO 0.00 0.00 0.00 0.49 -0.93 0.00 0.00 177.26 176.82 1bkr n PHE 27 N -0.43 1.50 0.00 -2.53 3.72 -1.26 -4.56 117.46 113.90 1bkr n PHE 27 Ca -0.05 -1.84 0.00 0.00 -0.05 0.00 0.00 57.45 55.52 1bkr n PHE 27 Cb 0.42 -0.54 0.00 0.00 -0.94 0.00 0.00 39.48 38.42 1bkr n PHE 27 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 1bkr n THR 28 N -1.04 0.00 0.28 4.37 -2.24 -1.26 -4.25 114.28 110.14 1bkr n THR 28 Ca 0.37 0.00 0.15 0.00 -2.27 0.00 0.00 64.05 62.30 1bkr n THR 28 Cb 0.98 0.00 0.85 0.00 -2.10 0.00 0.00 70.33 70.06 1bkr n THR 28 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 1bkr h THR 29 N 0.00 0.49 0.00 4.28 1.35 -1.88 -0.84 112.91 116.30 1bkr h THR 29 Ca 0.00 -0.27 0.00 0.00 -0.55 0.00 0.00 66.41 65.59 1bkr h THR 29 Cb 0.00 1.18 0.00 0.00 -1.73 0.00 0.00 68.15 67.60 1bkr h THR 29 CO 0.00 0.06 0.00 -1.20 -0.25 0.00 0.00 175.52 174.13 1bkr n SER 30 N -3.67 0.05 -0.00 5.36 7.64 -1.26 -3.10 113.62 118.64 1bkr n SER 30 Ca -0.02 0.51 0.03 0.00 1.01 0.00 0.00 58.87 60.40 1bkr n SER 30 Cb 0.16 -0.52 -0.04 0.00 -1.01 0.00 0.00 64.21 62.80 1bkr n SER 30 CO 0.00 0.00 0.00 0.79 -3.01 0.00 0.00 175.04 172.82 1bkr n TRP 31 N -1.56 0.00 0.28 1.43 7.02 -0.33 -4.61 117.44 119.69 1bkr n TRP 31 Ca 0.02 0.00 0.18 0.00 -1.02 0.00 0.00 57.50 56.68 1bkr n TRP 31 Cb 0.12 -0.02 0.74 0.00 -2.42 0.00 0.00 31.31 29.73 1bkr n TRP 31 CO 0.00 0.00 0.00 0.07 -2.02 0.00 0.00 177.69 175.74 1bkr h ARG 32 N 0.00 0.00 -0.09 -0.99 0.11 -1.50 -2.49 114.38 109.42 1bkr h ARG 32 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1bkr h ARG 32 Cb 0.18 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.26 1bkr h ARG 32 CO 0.00 0.01 0.00 -0.40 0.10 0.00 0.00 179.97 179.68 1bkr n ASP 33 N -3.11 2.29 0.00 0.08 5.68 -1.26 -4.14 116.55 116.10 1bkr n ASP 33 Ca 0.00 -1.77 0.00 0.00 -0.50 0.00 0.00 54.79 52.52 1bkr n ASP 33 Cb 0.28 -0.05 0.00 0.00 -1.14 0.00 0.00 41.12 40.22 1bkr n ASP 33 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1bkr n GLY 34 N 1.27 2.89 0.25 6.12 0.00 -0.94 -4.25 105.19 110.52 1bkr n GLY 34 Ca 0.17 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.09 1bkr n GLY 34 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1bkr h MET 35 N 1.96 0.82 -0.79 1.61 2.86 -1.89 -2.81 114.93 116.68 1bkr h MET 35 Ca 0.00 -0.23 -0.03 0.00 -2.06 0.00 0.00 59.70 57.38 1bkr h MET 35 Cb 0.00 -0.09 -0.04 0.00 0.06 0.00 0.00 31.60 31.53 1bkr h MET 35 CO 0.00 0.84 0.38 0.00 1.06 0.00 0.00 176.91 179.18 1bkr h ALA 36 N 0.95 1.02 -0.61 6.32 0.00 -1.88 -0.15 119.26 124.91 1bkr h ALA 36 Ca 0.14 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1bkr h ALA 36 Cb 0.43 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 1bkr h ALA 36 CO 0.01 0.59 0.32 0.74 0.00 0.00 0.00 179.25 180.91 1bkr h PHE 37 N 1.12 0.86 -0.77 0.00 0.04 -1.87 -1.40 116.94 114.94 1bkr h PHE 37 Ca 0.27 -0.03 -0.03 0.00 2.80 0.00 0.00 57.97 60.98 1bkr h PHE 37 Cb 0.12 -0.27 -0.04 0.00 2.20 0.00 0.00 35.95 37.97 1bkr h PHE 37 CO 0.01 0.64 0.34 -0.91 -0.60 0.00 0.00 178.31 177.79 1bkr h ASN 38 N 0.83 1.02 -0.66 2.17 2.35 -1.19 -2.51 115.58 117.59 1bkr h ASN 38 Ca 0.21 -0.13 -0.08 0.00 -0.55 0.00 0.00 56.30 55.75 1bkr h ASN 38 Cb 0.08 -0.26 -0.03 0.00 0.05 0.00 0.00 38.32 38.16 1bkr h ASN 38 CO -0.03 0.88 0.10 0.00 -1.65 0.00 0.00 177.43 176.73 1bkr h ALA 39 N 1.27 0.88 -0.64 -0.83 0.00 -0.59 0.25 119.26 119.60 1bkr h ALA 39 Ca 0.26 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1bkr h ALA 39 Cb 0.15 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 1bkr h ALA 39 CO -0.03 0.66 0.31 -0.07 0.00 0.00 0.00 179.25 180.12 1bkr h LEU 40 N 1.02 0.84 -0.31 0.00 3.38 -1.06 -0.79 115.31 118.40 1bkr h LEU 40 Ca 0.20 -0.13 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 1bkr h LEU 40 Cb 0.46 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 1bkr h LEU 40 CO 0.01 0.74 0.09 0.40 0.09 0.00 0.00 178.44 179.77 1bkr h ILE 41 N 0.89 1.21 -0.98 1.22 2.04 -1.21 -3.19 117.51 117.49 1bkr h ILE 41 Ca 0.22 -0.69 0.01 0.00 1.00 0.00 0.00 64.86 65.40 1bkr h ILE 41 Cb 0.12 1.07 -0.05 0.00 -0.74 0.00 0.00 36.82 37.22 1bkr h ILE 41 CO -0.03 0.23 0.65 -0.74 0.00 0.00 0.00 178.15 178.26 1bkr h HIS 42 N 0.35 1.24 -0.86 1.37 2.76 -0.61 0.24 115.15 119.63 1bkr h HIS 42 Ca 0.10 0.03 0.11 0.00 -2.20 0.00 0.00 60.37 58.40 1bkr h HIS 42 Cb 0.27 -0.42 -0.06 0.00 1.55 0.00 0.00 27.41 28.74 1bkr h HIS 42 CO 0.01 0.79 0.56 -0.22 -1.30 0.00 0.00 177.93 177.76 1bkr h LYS 43 N 1.34 0.76 0.02 5.26 1.63 -1.13 -1.86 116.57 122.59 1bkr h LYS 43 Ca 0.36 -0.05 -0.34 0.00 -0.85 0.00 0.00 60.65 59.78 1bkr h LYS 43 Cb -0.15 -0.17 -0.05 0.00 -0.60 0.00 0.00 32.23 31.26 1bkr h LYS 43 CO -0.08 0.50 -2.04 0.72 -3.45 0.00 0.00 179.45 175.10 1bkr n HIS 44 N -4.53 0.65 -3.24 1.91 8.25 -0.72 -4.71 115.22 112.82 1bkr n HIS 44 Ca 0.15 0.20 -0.25 0.00 -0.26 0.00 0.00 57.72 57.57 1bkr n HIS 44 Cb 0.36 -1.11 -0.07 0.00 1.12 0.00 0.00 29.99 30.29 1bkr n HIS 44 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1bkr n ARG 45 N -3.06 1.05 0.28 -0.41 5.12 0.76 -4.96 116.66 115.43 1bkr n ARG 45 Ca -0.27 -3.50 0.19 0.00 -1.93 0.00 0.00 57.85 52.33 1bkr n ARG 45 Cb 1.07 -1.43 0.89 0.00 -1.16 0.00 0.00 32.46 31.83 1bkr n ARG 45 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 1bkr h PRO 46 N 4.09 0.00 0.00 5.56 0.13 -1.53 -1.08 132.00 139.17 1bkr h PRO 46 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 1bkr h PRO 46 Cb 0.84 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.97 1bkr h PRO 46 CO 0.53 0.00 0.00 0.38 -0.23 0.00 0.00 178.00 178.68 1bkr h ASP 47 N 0.00 0.00 0.69 1.44 2.03 -1.93 -3.08 116.42 115.58 1bkr h ASP 47 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1bkr h ASP 47 Cb 0.24 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.74 1bkr h ASP 47 CO 0.00 0.00 -1.01 0.18 -1.03 0.00 0.00 179.24 177.38 1bkr n LEU 48 N -3.01 0.66 -3.81 0.15 4.77 -0.41 -4.93 117.00 110.42 1bkr n LEU 48 Ca -0.01 0.16 -0.17 0.00 -0.03 0.00 0.00 56.01 55.96 1bkr n LEU 48 Cb 0.17 -0.10 -0.16 0.00 -2.33 0.00 0.00 43.42 41.00 1bkr n LEU 48 CO 0.22 -0.06 -0.37 -0.63 -1.33 0.00 0.00 177.39 175.22 1bkr s ILE 49 N -3.28 0.14 -1.06 -0.08 1.01 -1.16 -5.06 121.20 111.71 1bkr s ILE 49 Ca 0.02 0.10 -0.14 0.00 0.00 0.00 0.00 60.65 60.62 1bkr s ILE 49 Cb 0.12 -0.24 0.19 0.00 0.01 0.00 0.00 42.46 42.54 1bkr s ILE 49 CO 0.79 0.13 1.20 -0.62 0.00 0.00 0.00 174.94 176.44 1bkr s ASP 50 N 0.98 6.96 0.37 3.58 -1.08 -1.26 -4.89 116.67 121.33 1bkr s ASP 50 Ca -0.10 -2.80 0.07 0.00 -0.52 0.00 0.00 52.55 49.20 1bkr s ASP 50 Cb -0.13 -2.34 0.78 0.00 -1.46 0.00 0.00 42.92 39.77 1bkr s ASP 50 CO -0.02 -0.73 1.96 0.15 0.52 0.00 0.00 175.17 177.06 1bkr h PHE 51 N 7.61 0.72 -0.01 -5.34 3.57 -1.97 -1.89 116.94 119.63 1bkr h PHE 51 Ca 0.22 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.74 1bkr h PHE 51 Cb 0.94 -0.24 -0.00 0.00 2.79 0.00 0.00 35.95 39.44 1bkr h PHE 51 CO 1.05 0.38 0.07 -0.44 -2.23 0.00 0.00 178.31 177.13 1bkr h ASP 52 N 0.71 0.00 1.37 0.41 3.32 -2.01 -1.76 116.42 118.46 1bkr h ASP 52 Ca 0.31 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.36 1bkr h ASP 52 Cb 0.29 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.84 1bkr h ASP 52 CO -0.10 0.00 -0.39 0.11 -1.72 0.00 0.00 179.24 177.14 1bkr h LYS 53 N 0.00 0.00 -6.93 3.56 1.79 -1.77 -3.46 116.57 109.76 1bkr h LYS 53 Ca 0.01 0.00 -0.46 0.00 -2.18 0.00 0.00 60.65 58.01 1bkr h LYS 53 Cb 0.14 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.77 1bkr h LYS 53 CO -0.00 0.00 0.31 -0.51 -1.08 0.00 0.00 179.45 178.17 1bkr s LEU 54 N -5.16 4.15 0.01 2.94 1.43 -0.66 -5.07 118.68 116.32 1bkr s LEU 54 Ca 0.06 1.71 0.04 0.00 -1.03 0.00 0.00 54.13 54.91 1bkr s LEU 54 Cb 0.10 -4.22 -0.01 0.00 0.03 0.00 0.00 46.19 42.09 1bkr s LEU 54 CO 0.69 -0.19 -0.12 -0.54 0.23 0.00 0.00 176.35 176.42 1bkr s LYS 55 N -2.59 0.89 0.46 1.70 1.02 -1.26 -5.05 119.74 114.91 1bkr s LYS 55 Ca 0.55 -0.52 0.17 0.00 0.02 0.00 0.00 55.97 56.19 1bkr s LYS 55 Cb -0.14 -0.86 1.14 0.00 -0.52 0.00 0.00 37.83 37.45 1bkr s LYS 55 CO 0.19 0.23 2.00 0.87 -0.92 0.00 0.00 175.35 177.71 1bkr h LYS 56 N 5.53 0.27 0.00 1.68 1.57 -1.91 -2.24 116.57 121.47 1bkr h LYS 56 Ca -0.34 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.42 1bkr h LYS 56 Cb 1.18 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 33.42 1bkr h LYS 56 CO 0.47 0.18 -0.03 0.66 -0.57 0.00 0.00 179.45 180.16 1bkr h SER 57 N 0.28 0.00 -2.58 0.86 4.64 -1.97 -3.32 113.55 111.46 1bkr h SER 57 Ca 0.25 0.00 -0.81 0.00 -0.47 0.00 0.00 61.79 60.76 1bkr h SER 57 Cb 0.61 0.00 -0.27 0.00 -0.31 0.00 0.00 62.40 62.43 1bkr h SER 57 CO -0.05 0.03 0.95 0.59 -0.87 0.00 0.00 176.83 177.48 1bkr n ASN 58 N -3.32 6.80 -0.01 4.97 3.02 -0.85 -4.84 115.26 121.05 1bkr n ASN 58 Ca -0.02 -3.51 -0.10 0.00 -0.03 0.00 0.00 54.58 50.92 1bkr n ASN 58 Cb 0.16 -1.24 -0.04 0.00 -0.61 0.00 0.00 39.78 38.05 1bkr n ASN 58 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1bkr h ALA 59 N 4.94 0.10 -0.18 5.41 0.00 -1.74 -0.70 119.26 127.09 1bkr h ALA 59 Ca 0.35 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.29 1bkr h ALA 59 Cb 0.49 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1bkr h ALA 59 CO 1.29 -0.46 0.12 1.25 0.00 0.00 0.00 179.25 181.45 1bkr h HIS 60 N 0.04 0.22 -0.24 0.00 -0.00 -1.88 -0.16 115.15 113.13 1bkr h HIS 60 Ca 0.06 0.01 0.03 0.00 -0.00 0.00 0.00 60.37 60.47 1bkr h HIS 60 Cb 0.07 -0.07 -0.03 0.00 -0.00 0.00 0.00 27.41 27.37 1bkr h HIS 60 CO -0.14 0.14 0.04 -0.92 -0.00 0.00 0.00 177.93 177.05 1bkr h TYR 61 N 0.24 0.07 -0.31 5.26 3.20 -1.88 -0.20 116.97 123.36 1bkr h TYR 61 Ca 0.07 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.93 1bkr h TYR 61 Cb -0.02 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.24 1bkr h TYR 61 CO -0.07 0.02 0.12 -0.91 -1.64 0.00 0.00 178.16 175.67 1bkr h ASN 62 N 0.13 0.44 0.24 -2.11 2.35 -0.78 0.30 115.58 116.15 1bkr h ASN 62 Ca 0.11 -0.18 -0.01 0.00 -0.55 0.00 0.00 56.30 55.67 1bkr h ASN 62 Cb 0.12 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 38.37 1bkr h ASN 62 CO -0.15 0.50 -0.12 -0.07 -1.65 0.00 0.00 177.43 175.93 1bkr h LEU 63 N 0.35 -0.30 -1.20 1.61 3.38 -0.87 -1.89 115.31 116.41 1bkr h LEU 63 Ca 0.10 0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.11 1bkr h LEU 63 Cb 0.20 0.08 -0.05 0.00 0.09 0.00 0.00 40.66 40.99 1bkr h LEU 63 CO -0.01 -0.21 0.55 -0.61 0.09 0.00 0.00 178.44 178.26 1bkr h GLN 64 N -0.34 1.04 0.20 1.13 4.15 -0.97 -0.01 115.11 120.32 1bkr h GLN 64 Ca -0.03 -0.06 -0.01 0.00 0.77 0.00 0.00 58.65 59.32 1bkr h GLN 64 Cb 0.26 -0.23 0.00 0.00 0.21 0.00 0.00 27.48 27.72 1bkr h GLN 64 CO 0.05 0.69 -0.10 -0.97 -1.93 0.00 0.00 178.83 176.57 1bkr h ASN 65 N 1.07 -0.23 -0.45 -0.69 -1.24 -0.66 0.46 115.58 113.84 1bkr h ASN 65 Ca 0.32 -0.02 -0.03 0.00 0.71 0.00 0.00 56.30 57.28 1bkr h ASN 65 Cb -0.03 0.06 -0.02 0.00 0.73 0.00 0.00 38.32 39.06 1bkr h ASN 65 CO -0.09 -0.13 0.14 0.00 -1.29 0.00 0.00 177.43 176.07 1bkr h ALA 66 N 0.49 0.58 -0.41 1.57 0.00 -1.07 -0.93 119.26 119.49 1bkr h ALA 66 Ca -0.03 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.67 1bkr h ALA 66 Cb 0.24 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1bkr h ALA 66 CO 0.05 0.23 0.11 0.74 0.00 0.00 0.00 179.25 180.38 1bkr h PHE 67 N 0.58 0.68 -0.30 0.00 0.04 -0.85 -0.25 116.94 116.84 1bkr h PHE 67 Ca 0.14 -0.08 -0.12 0.00 2.80 0.00 0.00 57.97 60.72 1bkr h PHE 67 Cb 0.26 -0.19 -0.01 0.00 2.20 0.00 0.00 35.95 38.21 1bkr h PHE 67 CO 0.01 0.64 -0.26 -0.91 -0.60 0.00 0.00 178.31 177.19 1bkr h ASN 68 N 0.53 0.75 -0.63 2.17 2.35 -0.88 -1.66 115.58 118.21 1bkr h ASN 68 Ca 0.13 -0.46 -0.07 0.00 -0.55 0.00 0.00 56.30 55.35 1bkr h ASN 68 Cb 0.30 -0.21 -0.03 0.00 0.05 0.00 0.00 38.32 38.43 1bkr h ASN 68 CO -0.00 1.06 0.12 -0.07 -1.65 0.00 0.00 177.43 176.89 1bkr h LEU 69 N 0.46 0.99 -0.93 1.61 3.38 -1.03 -0.05 115.31 119.75 1bkr h LEU 69 Ca 0.05 -0.25 -0.06 0.00 0.09 0.00 0.00 57.88 57.72 1bkr h LEU 69 Cb 0.83 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.29 1bkr h LEU 69 CO 0.07 0.99 0.14 0.00 0.09 0.00 0.00 178.44 179.73 1bkr h ALA 70 N 1.04 1.13 0.08 1.53 0.00 -0.99 0.43 119.26 122.47 1bkr h ALA 70 Ca 0.20 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1bkr h ALA 70 Cb 0.40 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1bkr h ALA 70 CO 0.01 0.59 -0.04 1.49 0.00 0.00 0.00 179.25 181.30 1bkr h GLU 71 N 0.89 -0.10 -0.21 0.00 4.81 -0.99 -1.17 114.58 117.81 1bkr h GLU 71 Ca 0.19 0.01 -0.19 0.00 -0.13 0.00 0.00 59.36 59.24 1bkr h GLU 71 Cb 0.32 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.73 1bkr h GLU 71 CO -0.00 0.20 -0.61 1.96 -0.73 0.00 0.00 179.01 179.83 1bkr h GLN 72 N -0.41 0.79 0.00 1.92 1.08 -0.87 -2.49 115.11 115.13 1bkr h GLN 72 Ca -0.01 -0.56 -0.32 0.00 -1.45 0.00 0.00 58.65 56.31 1bkr h GLN 72 Cb 0.35 0.09 -0.06 0.00 -0.05 0.00 0.00 27.48 27.81 1bkr h GLN 72 CO 0.02 1.18 -2.33 0.72 -0.95 0.00 0.00 178.83 177.48 1bkr n HIS 73 N -4.04 0.02 0.65 2.96 8.25 0.13 -4.58 115.22 118.61 1bkr n HIS 73 Ca -0.06 0.01 0.07 0.00 -0.26 0.00 0.00 57.72 57.47 1bkr n HIS 73 Cb 0.66 -0.94 -0.03 0.00 1.12 0.00 0.00 29.99 30.80 1bkr n HIS 73 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1bkr n LEU 74 N -2.69 1.17 -0.30 2.41 4.77 -0.53 -5.00 117.00 116.83 1bkr n LEU 74 Ca -0.29 -0.65 -0.04 0.00 -0.03 0.00 0.00 56.01 55.00 1bkr n LEU 74 Cb 1.08 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 42.15 1bkr n LEU 74 CO 0.43 0.24 -0.04 0.61 -1.33 0.00 0.00 177.39 177.31 1bkr n GLY 75 N 1.19 0.67 3.61 -0.72 0.00 -0.70 -4.96 105.19 104.28 1bkr n GLY 75 Ca 0.05 -0.51 -0.41 0.00 0.00 0.00 0.00 46.02 45.16 1bkr n GLY 75 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1bkr s LEU 76 N -0.88 4.11 0.55 0.99 1.43 -0.77 -4.94 118.68 119.17 1bkr s LEU 76 Ca 0.00 0.46 -0.20 0.00 -1.03 0.00 0.00 54.13 53.36 1bkr s LEU 76 Cb 0.00 -2.73 -0.05 0.00 0.03 0.00 0.00 46.19 43.44 1bkr s LEU 76 CO 0.00 -0.38 1.20 0.28 0.23 0.00 0.00 176.35 177.68 1bkr s THR 77 N 2.44 2.79 -1.27 5.49 -1.32 -1.26 -3.21 115.64 119.31 1bkr s THR 77 Ca 0.23 0.52 -0.18 0.00 -1.21 0.00 0.00 61.69 61.05 1bkr s THR 77 Cb -0.15 -3.23 0.08 0.00 -1.51 0.00 0.00 72.50 67.69 1bkr s THR 77 CO 0.10 -0.08 1.68 -0.54 -2.21 0.00 0.00 174.62 173.58 1bkr s LYS 78 N -3.15 3.97 0.39 7.08 1.02 -1.26 -4.75 119.74 123.04 1bkr s LYS 78 Ca 0.73 -1.99 0.18 0.00 0.02 0.00 0.00 55.97 54.91 1bkr s LYS 78 Cb -0.30 -5.48 0.78 0.00 -0.52 0.00 0.00 37.83 32.32 1bkr s LYS 78 CO 0.33 -2.20 1.79 -0.07 -0.92 0.00 0.00 175.35 174.28 1bkr h LEU 79 N 12.29 0.00 -9.37 3.17 3.38 -1.97 -3.44 115.31 119.37 1bkr h LEU 79 Ca 0.42 0.00 -0.66 0.00 0.09 0.00 0.00 57.88 57.72 1bkr h LEU 79 Cb 0.88 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.49 1bkr h LEU 79 CO 1.43 0.35 -0.66 -0.76 0.09 0.00 0.00 178.44 178.89 1bkr s LEU 80 N -7.34 3.42 -0.21 1.67 1.43 -1.26 -5.10 118.68 111.29 1bkr s LEU 80 Ca -0.01 -0.10 -0.10 0.00 -1.03 0.00 0.00 54.13 52.89 1bkr s LEU 80 Cb 0.12 -2.04 -0.05 0.00 0.03 0.00 0.00 46.19 44.25 1bkr s LEU 80 CO 0.68 0.24 0.14 -0.62 0.23 0.00 0.00 176.35 177.03 1bkr s ASP 81 N -1.80 6.18 0.37 2.29 -1.08 -1.26 -5.01 116.67 116.36 1bkr s ASP 81 Ca 0.21 0.19 0.14 0.00 -0.52 0.00 0.00 52.55 52.57 1bkr s ASP 81 Cb -0.11 -2.10 0.97 0.00 -1.46 0.00 0.00 42.92 40.22 1bkr s ASP 81 CO 0.13 0.14 1.81 -0.65 0.52 0.00 0.00 175.17 177.12 1bkr h PRO 82 N 6.95 0.51 -0.12 4.34 0.11 -1.94 -1.08 132.00 140.79 1bkr h PRO 82 Ca -0.40 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 65.63 1bkr h PRO 82 Cb 1.16 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 1bkr h PRO 82 CO 0.73 0.34 -0.17 0.93 -0.21 0.00 0.00 178.00 179.61 1bkr h GLU 83 N 0.53 0.19 0.00 1.05 5.08 -1.96 -1.31 114.58 118.15 1bkr h GLU 83 Ca 0.54 -0.05 -0.11 0.00 -1.00 0.00 0.00 59.36 58.74 1bkr h GLU 83 Cb 1.15 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.36 1bkr h GLU 83 CO -0.27 0.37 -0.52 -0.44 -1.00 0.00 0.00 179.01 177.15 1bkr h ASP 84 N 0.18 0.00 0.58 1.42 3.32 -1.62 -3.34 116.42 116.96 1bkr h ASP 84 Ca 0.03 0.00 -0.19 0.00 0.02 0.00 0.00 57.03 56.89 1bkr h ASP 84 Cb 0.42 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.93 1bkr h ASP 84 CO 0.03 0.52 -1.56 -0.38 -1.72 0.00 0.00 179.24 176.13 1bkr n ILE 85 N -3.50 1.20 1.76 0.35 2.08 -0.85 -4.09 119.36 116.30 1bkr n ILE 85 Ca 0.00 -0.71 0.13 0.00 0.56 0.00 0.00 62.75 62.73 1bkr n ILE 85 Cb 0.62 -0.71 0.64 0.00 -0.75 0.00 0.00 39.64 39.44 1bkr n ILE 85 CO 0.00 0.00 0.00 -1.54 0.56 0.00 0.00 176.55 175.57 1bkr n SER 86 N -2.86 0.59 -4.60 4.38 3.41 -0.55 -4.41 113.62 109.57 1bkr n SER 86 Ca -0.12 -1.35 -0.29 0.00 -0.26 0.00 0.00 58.87 56.84 1bkr n SER 86 Cb 0.88 -0.02 0.20 0.00 -0.26 0.00 0.00 64.21 65.01 1bkr n SER 86 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 1bkr s VAL 87 N -1.96 2.19 0.25 -3.33 -7.23 -1.26 -4.94 120.40 104.12 1bkr s VAL 87 Ca 0.37 0.06 -0.06 0.00 -1.81 0.00 0.00 61.98 60.54 1bkr s VAL 87 Cb 0.18 -2.28 0.26 0.00 0.56 0.00 0.00 36.38 35.09 1bkr s VAL 87 CO 0.30 -0.08 1.93 0.44 -0.31 0.00 0.00 175.10 177.37 1bkr h ASP 88 N -2.14 1.14 -2.67 4.85 3.32 -1.95 -3.36 116.42 115.61 1bkr h ASP 88 Ca -0.55 -0.03 -0.60 0.00 0.02 0.00 0.00 57.03 55.88 1bkr h ASP 88 Cb 1.31 -0.28 -0.39 0.00 0.22 0.00 0.00 39.33 40.18 1bkr h ASP 88 CO 0.51 0.82 -0.83 -1.00 -1.72 0.00 0.00 179.24 177.02 1bkr s HIS 89 N -6.12 1.90 1.02 4.55 3.76 -1.26 -4.76 115.29 114.39 1bkr s HIS 89 Ca -0.13 -2.62 -0.14 0.00 -0.15 0.00 0.00 55.06 52.02 1bkr s HIS 89 Cb 0.18 -1.53 0.20 0.00 1.11 0.00 0.00 32.58 32.54 1bkr s HIS 89 CO 0.82 -0.74 1.11 -1.25 -0.85 0.00 0.00 174.74 173.83 1bkr s PRO 90 N -0.35 0.22 -0.19 8.40 0.04 -1.26 -4.97 135.00 136.89 1bkr s PRO 90 Ca 0.29 0.33 -0.24 0.00 0.04 0.00 0.00 61.00 61.42 1bkr s PRO 90 Cb -0.02 -1.73 -0.02 0.00 0.04 0.00 0.00 34.50 32.78 1bkr s PRO 90 CO -0.17 -2.83 0.77 0.34 0.04 0.00 0.00 177.00 175.16 1bkr s ASP 91 N -3.67 6.86 0.13 6.66 2.15 -1.26 -4.82 116.67 122.71 1bkr s ASP 91 Ca 0.66 1.05 -0.19 0.00 0.43 0.00 0.00 52.55 54.50 1bkr s ASP 91 Cb -0.16 -2.42 -0.02 0.00 -0.30 0.00 0.00 42.92 40.02 1bkr s ASP 91 CO 0.56 -0.38 1.72 -0.08 -0.17 0.00 0.00 175.17 176.82 1bkr h GLU 92 N 7.44 0.08 -0.60 4.34 4.81 -1.94 -2.63 114.58 126.09 1bkr h GLU 92 Ca -0.29 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.94 1bkr h GLU 92 Cb 1.13 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 30.46 1bkr h GLU 92 CO 0.82 0.06 0.38 -0.22 -0.73 0.00 0.00 179.01 179.32 1bkr h LYS 93 N 0.09 0.80 -0.60 1.92 3.64 -1.93 0.13 116.57 120.62 1bkr h LYS 93 Ca 0.10 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 1bkr h LYS 93 Cb 0.12 -0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 31.74 1bkr h LYS 93 CO -0.16 0.55 0.38 0.77 -2.27 0.00 0.00 179.45 178.73 1bkr h SER 94 N 0.81 0.70 -0.41 4.20 0.02 -1.92 -0.51 113.55 116.43 1bkr h SER 94 Ca 0.22 -0.03 -0.05 0.00 -0.84 0.00 0.00 61.79 61.08 1bkr h SER 94 Cb -0.05 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.29 1bkr h SER 94 CO -0.04 0.52 0.06 0.40 -1.14 0.00 0.00 176.83 176.63 1bkr h ILE 95 N 0.81 1.24 -0.63 3.27 2.04 -1.08 -2.49 117.51 120.68 1bkr h ILE 95 Ca 0.22 -0.88 -0.00 0.00 1.00 0.00 0.00 64.86 65.19 1bkr h ILE 95 Cb -0.07 1.03 -0.03 0.00 -0.74 0.00 0.00 36.82 37.01 1bkr h ILE 95 CO -0.05 0.30 0.38 0.40 0.00 0.00 0.00 178.15 179.19 1bkr h ILE 96 N 0.53 1.19 -0.88 -0.67 2.04 -0.76 0.11 117.51 119.07 1bkr h ILE 96 Ca 0.12 -0.42 0.05 0.00 1.00 0.00 0.00 64.86 65.61 1bkr h ILE 96 Cb 0.38 0.33 -0.06 0.00 -0.74 0.00 0.00 36.82 36.73 1bkr h ILE 96 CO 0.01 0.19 0.56 0.74 0.00 0.00 0.00 178.15 179.65 1bkr h THR 97 N 0.85 1.09 -0.14 -0.27 2.02 -0.92 0.84 112.91 116.38 1bkr h THR 97 Ca 0.23 -0.36 -0.10 0.00 0.77 0.00 0.00 66.41 66.94 1bkr h THR 97 Cb -0.02 -0.05 0.00 0.00 -1.74 0.00 0.00 68.15 66.35 1bkr h THR 97 CO -0.04 0.19 -0.31 0.22 0.37 0.00 0.00 175.52 175.95 1bkr h TYR 98 N 1.05 0.58 -0.58 3.16 3.20 -0.95 -3.05 116.97 120.38 1bkr h TYR 98 Ca 0.37 -0.22 0.01 0.00 3.14 0.00 0.00 58.73 62.03 1bkr h TYR 98 Cb 0.10 -0.11 -0.03 0.00 1.54 0.00 0.00 36.73 38.23 1bkr h TYR 98 CO -0.02 0.93 0.39 0.28 -1.64 0.00 0.00 178.16 178.10 1bkr h VAL 99 N 0.06 1.15 -0.39 1.81 2.07 -0.36 -1.39 116.25 119.20 1bkr h VAL 99 Ca 0.00 -0.28 0.02 0.00 0.82 0.00 0.00 66.70 67.26 1bkr h VAL 99 Cb 0.91 0.29 -0.02 0.00 -1.52 0.00 0.00 31.29 30.95 1bkr h VAL 99 CO 0.07 0.15 0.26 0.58 0.02 0.00 0.00 177.57 178.65 1bkr h VAL 100 N 0.79 1.06 -0.32 2.57 2.07 -0.78 -0.13 116.25 121.52 1bkr h VAL 100 Ca 0.21 -0.16 -0.08 0.00 0.82 0.00 0.00 66.70 67.49 1bkr h VAL 100 Cb -0.09 0.55 -0.02 0.00 -1.52 0.00 0.00 31.29 30.21 1bkr h VAL 100 CO -0.05 0.09 -0.14 0.74 0.02 0.00 0.00 177.57 178.23 1bkr h THR 101 N 0.47 1.24 -0.14 2.57 2.02 -1.15 -0.19 112.91 117.74 1bkr h THR 101 Ca 0.15 -1.09 -0.03 0.00 0.77 0.00 0.00 66.41 66.22 1bkr h THR 101 Cb 0.03 1.15 -0.00 0.00 -1.74 0.00 0.00 68.15 67.59 1bkr h THR 101 CO -0.04 0.36 -0.03 1.88 0.37 0.00 0.00 175.52 178.06 1bkr h TYR 102 N 0.51 0.30 -0.36 3.16 -1.99 -1.01 -1.83 116.97 115.75 1bkr h TYR 102 Ca 0.09 -0.06 0.03 0.00 2.00 0.00 0.00 58.73 60.79 1bkr h TYR 102 Cb 0.54 -0.07 -0.03 0.00 2.00 0.00 0.00 36.73 39.16 1bkr h TYR 102 CO 0.02 0.56 0.17 -0.92 -0.00 0.00 0.00 178.16 177.99 1bkr h TYR 103 N -0.04 0.31 -0.64 4.88 3.20 -0.70 0.49 116.97 124.47 1bkr h TYR 103 Ca 0.03 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 61.86 1bkr h TYR 103 Cb 0.46 -0.09 -0.03 0.00 1.54 0.00 0.00 36.73 38.62 1bkr h TYR 103 CO 0.05 0.16 0.17 0.45 -1.64 0.00 0.00 178.16 177.35 1bkr h HIS 104 N 0.35 1.06 0.12 -3.82 3.86 -1.03 -1.02 115.15 114.67 1bkr h HIS 104 Ca 0.16 -0.12 -0.01 0.00 -1.16 0.00 0.00 60.37 59.24 1bkr h HIS 104 Cb 0.08 -0.30 0.00 0.00 1.06 0.00 0.00 27.41 28.25 1bkr h HIS 104 CO -0.11 0.88 -0.06 -0.92 0.86 0.00 0.00 177.93 178.58 1bkr h TYR 105 N 0.94 -0.15 0.00 2.45 3.20 -0.94 -2.30 116.97 120.17 1bkr h TYR 105 Ca 0.20 -0.00 -0.10 0.00 3.14 0.00 0.00 58.73 61.97 1bkr h TYR 105 Cb 0.34 0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.65 1bkr h TYR 105 CO 0.03 0.14 -0.46 0.74 -1.64 0.00 0.00 178.16 176.96 1bkr h PHE 106 N -0.45 0.00 -0.01 -3.82 0.04 -0.89 -2.90 116.94 108.91 1bkr h PHE 106 Ca -0.02 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.75 1bkr h PHE 106 Cb 0.36 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.51 1bkr h PHE 106 CO 0.02 0.46 -0.02 0.43 -0.60 0.00 0.00 178.31 178.60 1bkr n SER 107 N -3.50 0.66 -4.08 2.17 7.64 -0.39 -4.81 113.62 111.31 1bkr n SER 107 Ca 0.00 -1.10 -0.18 0.00 1.01 0.00 0.00 58.87 58.60 1bkr n SER 107 Cb 0.59 -0.01 -0.14 0.00 -1.01 0.00 0.00 64.21 63.64 1bkr n SER 107 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1bkr s LYS 108 N -2.10 0.79 0.00 1.43 1.02 -0.87 -5.03 119.74 114.98 1bkr s LYS 108 Ca 0.40 -0.56 0.00 0.00 0.02 0.00 0.00 55.97 55.84 1bkr s LYS 108 Cb 0.21 -0.74 0.00 0.00 -0.52 0.00 0.00 37.83 36.78 1bkr s LYS 108 CO 0.38 0.19 0.00 -0.12 -0.92 0.00 0.00 175.35 174.88