#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k3s h PRO 2 N 0.00 0.96 -2.19 1.61 0.13 -2.09 -3.07 132.00 127.34 2k3s h PRO 2 Ca 0.00 -0.08 -0.75 0.00 -0.87 0.00 0.00 66.00 64.30 2k3s h PRO 2 Cb 0.00 -0.20 -0.30 0.00 0.13 0.00 0.00 31.00 30.62 2k3s h PRO 2 CO 0.00 0.67 0.65 1.28 -0.23 0.00 0.00 178.00 180.37 2k3s n LEU 3 N -4.39 6.74 -2.80 1.56 4.77 -1.26 -4.74 117.00 116.88 2k3s n LEU 3 Ca 0.07 -5.36 -0.23 0.00 -0.03 0.00 0.00 56.01 50.46 2k3s n LEU 3 Cb 0.07 -1.01 -0.02 0.00 -2.33 0.00 0.00 43.42 40.13 2k3s n LEU 3 CO 0.37 2.08 0.06 0.61 -1.33 0.00 0.00 177.39 179.18 2k3s n GLY 4 N -0.18 4.84 0.10 -0.72 0.00 -1.16 -4.87 105.19 103.20 2k3s n GLY 4 Ca 0.45 -2.39 -0.11 0.00 0.00 0.00 0.00 46.02 43.96 2k3s n GLY 4 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2k3s h SER 5 N 2.86 0.22 0.38 1.61 4.64 -1.88 -2.49 113.55 118.88 2k3s h SER 5 Ca 0.15 -0.17 -0.04 0.00 -0.47 0.00 0.00 61.79 61.26 2k3s h SER 5 Cb 0.80 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 62.83 2k3s h SER 5 CO 0.73 0.33 -0.18 0.11 -0.87 0.00 0.00 176.83 176.95 2k3s h LYS 6 N 0.10 0.00 -0.17 4.77 1.57 -2.01 -2.10 116.57 118.72 2k3s h LYS 6 Ca 0.05 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.77 2k3s h LYS 6 Cb 0.18 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.48 2k3s h LYS 6 CO -0.00 0.18 -0.17 -0.91 -0.57 0.00 0.00 179.45 177.98 2k3s h ASN 7 N 0.00 0.28 0.22 0.86 4.21 -1.83 -1.42 115.58 117.90 2k3s h ASN 7 Ca -0.00 -0.07 -0.01 0.00 1.21 0.00 0.00 56.30 57.43 2k3s h ASN 7 Cb 0.43 -0.07 0.00 0.00 -1.12 0.00 0.00 38.32 37.55 2k3s h ASN 7 CO 0.02 0.48 -0.11 -0.03 -1.29 0.00 0.00 177.43 176.51 2k3s h MET 8 N 0.27 -0.28 -0.51 0.81 1.85 -1.16 0.29 114.93 116.20 2k3s h MET 8 Ca 0.05 0.02 -0.11 0.00 -0.61 0.00 0.00 59.70 59.05 2k3s h MET 8 Cb 0.47 0.06 -0.02 0.00 0.43 0.00 0.00 31.60 32.55 2k3s h MET 8 CO 0.03 -0.19 -0.10 -0.07 -0.40 0.00 0.00 176.91 176.18 2k3s h LEU 9 N -0.29 0.98 0.01 3.39 3.38 -1.60 -1.51 115.31 119.66 2k3s h LEU 9 Ca -0.03 -0.35 -0.00 0.00 0.09 0.00 0.00 57.88 57.59 2k3s h LEU 9 Cb 0.23 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.71 2k3s h LEU 9 CO 0.05 1.10 -0.01 0.25 0.09 0.00 0.00 178.44 179.93 2k3s h LEU 10 N 0.84 -0.01 -0.44 1.67 5.85 -1.09 0.13 115.31 122.25 2k3s h LEU 10 Ca 0.13 -0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.77 2k3s h LEU 10 Cb 0.66 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.67 2k3s h LEU 10 CO 0.05 0.06 0.24 -0.08 -0.34 0.00 0.00 178.44 178.37 2k3s h GLU 11 N -0.09 0.61 -0.13 1.25 4.22 -0.38 0.25 114.58 120.31 2k3s h GLU 11 Ca -0.00 -0.07 -0.01 0.00 0.08 0.00 0.00 59.36 59.36 2k3s h GLU 11 Cb 0.09 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 2k3s h GLU 11 CO 0.00 0.48 0.05 2.35 -2.18 0.00 0.00 179.01 179.72 2k3s h TRP 12 N 0.57 0.19 0.06 0.92 7.01 -1.15 -1.97 115.95 121.59 2k3s h TRP 12 Ca 0.15 -0.01 -0.00 0.00 2.11 0.00 0.00 58.89 61.14 2k3s h TRP 12 Cb 0.05 -0.06 0.00 0.00 -2.10 0.00 0.00 29.16 27.05 2k3s h TRP 12 CO -0.02 0.28 -0.03 0.00 -2.79 0.00 0.00 178.44 175.87 2k3s h ARG 14 N -0.34 0.23 -0.07 0.00 2.43 -0.51 0.36 114.38 116.47 2k3s h ARG 14 Ca -0.01 -0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.11 2k3s h ARG 14 Cb 0.30 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.79 2k3s h ARG 14 CO 0.01 0.15 -0.14 0.00 -1.51 0.00 0.00 179.97 178.49 2k3s h ALA 15 N 1.74 1.63 0.08 2.80 0.00 -1.19 -0.74 119.26 123.57 2k3s h ALA 15 Ca 0.25 -0.17 -0.37 0.00 0.00 0.00 0.00 54.91 54.62 2k3s h ALA 15 Cb 0.66 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 2k3s h ALA 15 CO -0.05 0.27 -2.12 -1.33 0.00 0.00 0.00 179.25 176.03 2k3s n MET 16 N -4.32 0.71 0.27 0.00 2.81 0.25 -4.21 117.12 112.64 2k3s n MET 16 Ca -0.02 0.25 0.15 0.00 -1.81 0.00 0.00 57.70 56.27 2k3s n MET 16 Cb 0.24 -1.65 0.78 0.00 -0.71 0.00 0.00 33.22 31.88 2k3s n MET 16 CO 0.00 0.00 0.00 1.15 1.51 0.00 0.00 175.97 178.63 2k3s h THR 17 N -0.03 0.40 0.00 2.03 2.02 -0.33 -1.98 112.91 115.02 2k3s h THR 17 Ca -0.47 -0.47 -0.00 0.00 0.77 0.00 0.00 66.41 66.23 2k3s h THR 17 Cb 1.95 1.33 -0.00 0.00 -1.74 0.00 0.00 68.15 69.69 2k3s h THR 17 CO 0.01 0.09 -0.01 -0.09 0.37 0.00 0.00 175.52 175.88 2k3s h ARG 18 N 0.00 0.00 0.00 6.66 2.43 -1.30 0.10 114.38 122.27 2k3s h ARG 18 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2k3s h ARG 18 Cb 0.33 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.88 2k3s h ARG 18 CO 0.01 0.01 0.00 -0.97 -1.51 0.00 0.00 179.97 177.51 2k3s h ASN 19 N 0.00 0.00 -3.13 -3.80 -0.73 -1.58 -3.41 115.58 102.92 2k3s h ASN 19 Ca -0.00 0.00 -0.69 0.00 1.87 0.00 0.00 56.30 57.48 2k3s h ASN 19 Cb 0.22 0.00 -0.18 0.00 0.27 0.00 0.00 38.32 38.63 2k3s h ASN 19 CO 0.00 0.00 0.09 -0.31 -0.37 0.00 0.00 177.43 176.84 2k3s s TYR 20 N -3.25 3.02 0.58 0.67 1.51 0.02 -5.04 117.35 114.86 2k3s s TYR 20 Ca 0.07 -0.65 -0.20 0.00 -1.01 0.00 0.00 57.07 55.27 2k3s s TYR 20 Cb 0.06 -3.71 -0.04 0.00 -0.11 0.00 0.00 41.96 38.16 2k3s s TYR 20 CO 0.65 -1.13 1.29 -1.21 -1.11 0.00 0.00 175.55 174.03 2k3s s GLU 21 N 2.71 2.97 0.00 -0.62 8.01 -1.26 -2.20 118.70 128.31 2k3s s GLU 21 Ca 0.14 2.05 0.00 0.00 0.01 0.00 0.00 54.97 57.17 2k3s s GLU 21 Cb -0.20 -2.06 0.00 0.00 -4.31 0.00 0.00 34.13 27.55 2k3s s GLU 21 CO 0.10 -1.26 0.00 1.58 0.01 0.00 0.00 175.26 175.69 2k3s n HIS 22 N -1.39 0.00 -3.77 1.61 -0.00 -1.26 -4.92 115.22 105.49 2k3s n HIS 22 Ca 0.13 0.00 -0.30 0.00 0.46 0.00 0.00 57.72 58.01 2k3s n HIS 22 Cb 0.47 -0.19 -0.10 0.00 -0.12 0.00 0.00 29.99 30.05 2k3s n HIS 22 CO 0.00 0.00 0.00 0.28 0.46 0.00 0.00 176.34 177.08 2k3s n VAL 23 N -2.00 2.11 -3.66 3.57 0.31 -0.94 -5.04 118.33 112.68 2k3s n VAL 23 Ca 0.00 -4.99 -0.37 0.00 -0.01 0.00 0.00 64.34 58.97 2k3s n VAL 23 Cb 0.00 -2.22 -0.11 0.00 -0.91 0.00 0.00 33.84 30.60 2k3s n VAL 23 CO 0.00 0.00 0.00 1.51 -1.32 0.00 0.00 176.83 177.02 2k3s s ASP 24 N -1.31 5.82 -0.40 4.52 -4.77 -1.26 -4.63 116.67 114.63 2k3s s ASP 24 Ca 0.27 -0.03 -0.17 0.00 -3.30 0.00 0.00 52.55 49.32 2k3s s ASP 24 Cb -0.02 -2.07 0.01 0.00 -1.09 0.00 0.00 42.92 39.75 2k3s s ASP 24 CO -0.14 -0.02 0.46 -0.63 0.70 0.00 0.00 175.17 175.54 2k3s s ILE 25 N 1.54 5.06 -0.22 2.11 1.01 -1.26 -4.77 121.20 124.67 2k3s s ILE 25 Ca 0.07 -0.17 -0.20 0.00 0.00 0.00 0.00 60.65 60.35 2k3s s ILE 25 Cb -0.15 -4.02 -0.18 0.00 0.01 0.00 0.00 42.46 38.12 2k3s s ILE 25 CO 0.08 -0.38 0.10 1.67 0.00 0.00 0.00 174.94 176.41 2k3s n GLN 26 N 5.66 0.57 -3.97 2.79 7.27 -1.26 -5.02 117.38 123.42 2k3s n GLN 26 Ca -0.07 0.52 -0.09 0.00 0.07 0.00 0.00 57.00 57.43 2k3s n GLN 26 Cb 0.48 -1.70 -0.05 0.00 2.41 0.00 0.00 30.24 31.38 2k3s n GLN 26 CO 0.00 0.00 0.00 1.21 0.07 0.00 0.00 177.06 178.34 2k3s s ASN 27 N -6.98 -0.13 -1.56 1.69 2.47 -1.26 -5.05 114.94 104.11 2k3s s ASN 27 Ca -0.31 -0.86 -0.11 0.00 0.42 0.00 0.00 52.86 52.00 2k3s s ASN 27 Cb 0.08 0.61 -0.04 0.00 -1.45 0.00 0.00 41.25 40.45 2k3s s ASN 27 CO 0.57 -1.18 2.70 0.49 -3.72 0.00 0.00 177.10 175.96 2k3s n PHE 28 N -0.40 2.79 0.00 0.43 3.72 -1.26 -3.86 117.46 118.89 2k3s n PHE 28 Ca -0.02 -3.05 0.00 0.00 -0.05 0.00 0.00 57.45 54.33 2k3s n PHE 28 Cb 0.61 -2.49 0.00 0.00 -0.94 0.00 0.00 39.48 36.67 2k3s n PHE 28 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 2k3s n SER 29 N 4.32 0.00 -0.27 4.37 3.41 -1.26 -3.44 113.62 120.74 2k3s n SER 29 Ca 0.69 0.00 -0.06 0.00 -0.26 0.00 0.00 58.87 59.25 2k3s n SER 29 Cb 0.28 0.00 0.06 0.00 -0.26 0.00 0.00 64.21 64.29 2k3s n SER 29 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2k3s h SER 30 N 0.00 0.96 0.35 4.04 0.02 -1.90 -2.01 113.55 115.01 2k3s h SER 30 Ca 0.00 -0.12 0.00 0.00 -0.84 0.00 0.00 61.79 60.83 2k3s h SER 30 Cb 0.00 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.29 2k3s h SER 30 CO 0.00 0.80 0.00 0.28 -1.14 0.00 0.00 176.83 176.77 2k3s h SER 31 N 1.04 0.00 -0.04 3.07 0.02 -1.86 -1.05 113.55 114.73 2k3s h SER 31 Ca 0.26 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.21 2k3s h SER 31 Cb 0.08 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.62 2k3s h SER 31 CO -0.04 0.00 0.00 0.79 -1.14 0.00 0.00 176.83 176.44 2k3s n TRP 32 N -2.52 0.03 0.63 3.45 7.02 -0.80 -4.31 117.44 120.94 2k3s n TRP 32 Ca -0.00 -0.02 0.13 0.00 -1.02 0.00 0.00 57.50 56.58 2k3s n TRP 32 Cb 0.13 -0.00 0.45 0.00 -2.42 0.00 0.00 31.31 29.47 2k3s n TRP 32 CO 0.00 0.00 0.00 0.45 -2.02 0.00 0.00 177.69 176.12 2k3s n SER 33 N 0.93 0.64 0.13 -0.99 2.88 -0.40 -2.75 113.62 114.07 2k3s n SER 33 Ca 0.10 0.58 0.12 0.00 -1.33 0.00 0.00 58.87 58.34 2k3s n SER 33 Cb 0.42 -0.74 0.24 0.00 -0.75 0.00 0.00 64.21 63.37 2k3s n SER 33 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 2k3s h SER 34 N 0.00 0.00 0.00 -3.46 4.64 -1.75 -3.47 113.55 109.51 2k3s h SER 34 Ca 0.00 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 2k3s h SER 34 Cb 0.61 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.70 2k3s h SER 34 CO 0.00 0.02 0.00 0.61 -0.87 0.00 0.00 176.83 176.59 2k3s n GLY 35 N 1.23 1.02 0.38 -0.77 0.00 -1.11 -4.71 105.19 101.24 2k3s n GLY 35 Ca 0.04 0.00 0.20 0.00 0.00 0.00 0.00 46.02 46.26 2k3s n GLY 35 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 2k3s h MET 36 N 0.00 0.00 -0.85 1.61 2.86 -1.92 -1.32 114.93 115.32 2k3s h MET 36 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2k3s h MET 36 Cb 0.00 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 31.62 2k3s h MET 36 CO 0.00 0.00 0.54 0.00 1.06 0.00 0.00 176.91 178.51 2k3s h ALA 37 N 1.51 1.08 -0.14 6.32 0.00 -1.84 -1.04 119.26 125.15 2k3s h ALA 37 Ca 0.19 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 2k3s h ALA 37 Cb 1.06 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 2k3s h ALA 37 CO -0.00 0.52 0.02 0.74 0.00 0.00 0.00 179.25 180.52 2k3s h PHE 38 N 1.16 0.25 -0.65 0.00 0.04 -1.60 -2.56 116.94 113.58 2k3s h PHE 38 Ca 0.31 -0.04 0.00 0.00 2.80 0.00 0.00 57.97 61.04 2k3s h PHE 38 Cb -0.09 -0.07 -0.03 0.00 2.20 0.00 0.00 35.95 37.96 2k3s h PHE 38 CO -0.01 0.43 0.41 0.00 -0.60 0.00 0.00 178.31 178.54 2k3s h ALA 40 N 1.56 0.60 -0.52 0.00 0.00 -1.03 -1.10 119.26 118.77 2k3s h ALA 40 Ca 0.24 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 2k3s h ALA 40 Cb -0.06 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 2k3s h ALA 40 CO -0.05 0.23 0.03 1.25 0.00 0.00 0.00 179.25 180.71 2k3s h LEU 41 N 0.61 0.88 -0.26 0.00 5.85 -1.02 -1.43 115.31 119.94 2k3s h LEU 41 Ca 0.15 -0.29 -0.01 0.00 0.84 0.00 0.00 57.88 58.57 2k3s h LEU 41 Cb 0.22 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.01 2k3s h LEU 41 CO -0.01 0.95 0.11 0.40 -0.34 0.00 0.00 178.44 179.56 2k3s h ILE 42 N 0.78 1.16 0.00 4.05 1.08 -1.11 -2.58 117.51 120.89 2k3s h ILE 42 Ca 0.15 -0.47 -0.05 0.00 -0.39 0.00 0.00 64.86 64.10 2k3s h ILE 42 Cb 0.48 0.99 -0.01 0.00 -3.07 0.00 0.00 36.82 35.22 2k3s h ILE 42 CO 0.02 0.16 -0.26 -0.74 -0.69 0.00 0.00 178.15 176.65 2k3s h HIS 43 N 0.28 0.00 -0.93 1.37 2.76 -1.12 0.14 115.15 117.64 2k3s h HIS 43 Ca 0.09 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.25 2k3s h HIS 43 Cb 0.15 0.00 -0.04 0.00 1.55 0.00 0.00 27.41 29.07 2k3s h HIS 43 CO -0.01 0.26 0.56 -0.22 -1.30 0.00 0.00 177.93 177.21 2k3s h LYS 44 N 0.00 1.27 0.04 5.26 1.63 -0.85 -3.17 116.57 120.75 2k3s h LYS 44 Ca -0.00 -0.12 -0.35 0.00 -0.85 0.00 0.00 60.65 59.33 2k3s h LYS 44 Cb 0.53 -0.26 -0.05 0.00 -0.60 0.00 0.00 32.23 31.84 2k3s h LYS 44 CO 0.03 0.90 -2.10 1.19 -3.45 0.00 0.00 179.45 176.02 2k3s n PHE 45 N -4.35 0.66 -3.91 1.91 3.72 -1.05 -4.78 117.46 109.66 2k3s n PHE 45 Ca 0.10 0.18 -0.33 0.00 -0.05 0.00 0.00 57.45 57.35 2k3s n PHE 45 Cb 0.06 -1.10 -0.13 0.00 -0.94 0.00 0.00 39.48 37.37 2k3s n PHE 45 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 176.76 176.65 2k3s s PHE 46 N -2.55 3.65 0.28 1.38 0.08 0.48 -4.95 117.98 116.35 2k3s s PHE 46 Ca -0.17 -2.67 0.18 0.00 0.12 0.00 0.00 56.93 54.39 2k3s s PHE 46 Cb 0.07 -2.98 0.83 0.00 -0.57 0.00 0.00 43.02 40.37 2k3s s PHE 46 CO 0.76 -0.95 1.82 -1.35 -0.10 0.00 0.00 175.22 175.40 2k3s h PRO 47 N 7.83 0.00 -0.09 0.24 0.11 -1.83 -2.55 132.00 135.71 2k3s h PRO 47 Ca -0.09 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.02 2k3s h PRO 47 Cb 1.03 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.14 2k3s h PRO 47 CO 0.60 0.33 0.00 -1.91 -0.21 0.00 0.00 178.00 176.81 2k3s n GLU 48 N -3.73 1.50 0.25 1.05 2.13 -1.26 -4.24 120.64 116.33 2k3s n GLU 48 Ca -0.01 -0.74 -0.10 0.00 0.66 0.00 0.00 57.16 56.97 2k3s n GLU 48 Cb 0.43 -1.39 -0.05 0.00 0.27 0.00 0.00 31.44 30.70 2k3s n GLU 48 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2k3s h ALA 49 N 3.99 -1.09 -1.98 4.31 0.00 -1.80 -3.49 119.26 119.20 2k3s h ALA 49 Ca 0.00 -0.14 0.25 0.00 0.00 0.00 0.00 54.91 55.02 2k3s h ALA 49 Cb 0.34 0.24 -0.09 0.00 0.00 0.00 0.00 17.79 18.28 2k3s h ALA 49 CO 0.00 -1.05 0.66 -0.59 0.00 0.00 0.00 179.25 178.27 2k3s s PHE 50 N -4.24 -0.06 -0.28 0.00 -0.12 -1.26 -5.03 117.98 106.99 2k3s s PHE 50 Ca -0.09 -0.16 -0.23 0.00 -0.05 0.00 0.00 56.93 56.40 2k3s s PHE 50 Cb 0.01 0.60 -0.01 0.00 -0.63 0.00 0.00 43.02 43.00 2k3s s PHE 50 CO 0.27 -0.58 0.75 -0.51 -0.05 0.00 0.00 175.22 175.11 2k3s s ASP 51 N -3.05 6.67 0.12 1.98 1.11 -1.26 -4.94 116.67 117.30 2k3s s ASP 51 Ca 0.15 0.73 -0.04 0.00 0.18 0.00 0.00 52.55 53.57 2k3s s ASP 51 Cb 0.01 -2.39 -0.12 0.00 1.07 0.00 0.00 42.92 41.49 2k3s s ASP 51 CO -0.00 -0.54 1.28 0.22 1.18 0.00 0.00 175.17 177.32 2k3s h TYR 52 N 7.99 0.60 0.00 4.23 3.20 -1.97 -3.18 116.97 127.83 2k3s h TYR 52 Ca -0.25 -0.34 0.00 0.00 3.14 0.00 0.00 58.73 61.28 2k3s h TYR 52 Cb 1.10 -0.06 0.00 0.00 1.54 0.00 0.00 36.73 39.31 2k3s h TYR 52 CO 0.77 1.17 0.00 0.00 -1.64 0.00 0.00 178.16 178.46 2k3s h ALA 53 N 0.72 1.00 -0.04 1.82 0.00 -2.03 -2.42 119.26 118.30 2k3s h ALA 53 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2k3s h ALA 53 Cb 1.63 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.42 2k3s h ALA 53 CO 0.17 0.00 0.00 0.39 0.00 0.00 0.00 179.25 179.81 2k3s n GLU 54 N -3.04 1.71 -2.89 0.00 -0.58 -1.20 -4.90 120.64 109.73 2k3s n GLU 54 Ca 0.01 -1.03 -0.29 0.00 -0.42 0.00 0.00 57.16 55.43 2k3s n GLU 54 Cb 0.33 -1.47 -0.02 0.00 -0.57 0.00 0.00 31.44 29.71 2k3s n GLU 54 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2k3s s LEU 55 N -1.93 3.82 -0.03 -4.62 1.43 -0.91 -5.07 118.68 111.37 2k3s s LEU 55 Ca 0.37 1.01 0.04 0.00 -1.03 0.00 0.00 54.13 54.51 2k3s s LEU 55 Cb 0.20 -3.89 -0.00 0.00 0.03 0.00 0.00 46.19 42.53 2k3s s LEU 55 CO 0.32 -0.41 -0.14 -1.81 0.23 0.00 0.00 176.35 174.54 2k3s s ASP 56 N -3.39 1.82 0.54 2.29 1.01 -1.26 -5.02 116.67 112.66 2k3s s ASP 56 Ca 0.49 -0.29 0.29 0.00 0.71 0.00 0.00 52.55 53.75 2k3s s ASP 56 Cb -0.10 -0.45 1.56 0.00 1.01 0.00 0.00 42.92 44.94 2k3s s ASP 56 CO 0.34 0.13 2.11 -0.65 0.21 0.00 0.00 175.17 177.31 2k3s h PRO 57 N 6.21 0.00 0.00 8.23 0.11 -1.99 -0.89 132.00 143.68 2k3s h PRO 57 Ca -0.33 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.78 2k3s h PRO 57 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 2k3s h PRO 57 CO 0.48 0.09 0.00 0.00 -0.21 0.00 0.00 178.00 178.36 2k3s h ALA 58 N 1.91 1.00 -1.07 -0.75 0.00 -1.95 -3.12 119.26 115.28 2k3s h ALA 58 Ca -0.00 0.00 -0.69 0.00 0.00 0.00 0.00 54.91 54.22 2k3s h ALA 58 Cb 0.29 0.00 -0.32 0.00 0.00 0.00 0.00 17.79 17.76 2k3s h ALA 58 CO 0.01 0.00 0.50 1.63 0.00 0.00 0.00 179.25 181.39 2k3s n LYS 59 N -2.31 2.95 -0.19 0.00 5.02 -0.34 -4.74 118.16 118.55 2k3s n LYS 59 Ca 0.03 -3.70 0.02 0.00 -2.02 0.00 0.00 58.31 52.64 2k3s n LYS 59 Cb 0.32 -2.27 0.28 0.00 -0.02 0.00 0.00 35.03 33.33 2k3s n LYS 59 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2k3s h ARG 60 N 2.57 0.91 -0.19 1.97 3.08 -1.69 0.23 114.38 121.26 2k3s h ARG 60 Ca 0.51 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 60.50 2k3s h ARG 60 Cb 0.56 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 30.39 2k3s h ARG 60 CO 1.30 0.60 0.11 0.00 -1.07 0.00 0.00 179.97 180.92 2k3s h ARG 61 N 0.94 0.26 -0.02 0.04 3.08 -1.91 0.26 114.38 117.03 2k3s h ARG 61 Ca 0.26 -0.03 -0.13 0.00 0.07 0.00 0.00 59.98 60.16 2k3s h ARG 61 Cb -0.07 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 29.91 2k3s h ARG 61 CO -0.06 0.23 -0.58 0.45 -1.07 0.00 0.00 179.97 178.93 2k3s h HIS 62 N 0.22 0.07 0.25 3.04 3.86 -1.85 -2.37 115.15 118.37 2k3s h HIS 62 Ca 0.07 -0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.24 2k3s h HIS 62 Cb 0.04 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 28.50 2k3s h HIS 62 CO -0.05 0.62 -0.12 -0.91 0.86 0.00 0.00 177.93 178.34 2k3s h ASN 63 N 0.04 -0.29 -0.49 2.45 2.35 -0.05 0.33 115.58 119.92 2k3s h ASN 63 Ca -0.01 -0.04 0.01 0.00 -0.55 0.00 0.00 56.30 55.71 2k3s h ASN 63 Cb 1.04 0.07 -0.03 0.00 0.05 0.00 0.00 38.32 39.46 2k3s h ASN 63 CO 0.08 -0.14 0.31 -0.26 -1.65 0.00 0.00 177.43 175.77 2k3s h PHE 64 N -0.41 0.59 -0.13 1.19 0.04 -0.94 -0.21 116.94 117.07 2k3s h PHE 64 Ca -0.03 0.02 0.02 0.00 2.80 0.00 0.00 57.97 60.77 2k3s h PHE 64 Cb 0.32 -0.20 -0.02 0.00 2.20 0.00 0.00 35.95 38.25 2k3s h PHE 64 CO -0.04 0.36 0.02 1.15 -0.60 0.00 0.00 178.31 179.20 2k3s h THR 65 N 0.63 0.94 -0.38 -1.55 2.02 -1.22 -0.40 112.91 112.95 2k3s h THR 65 Ca 0.19 -0.03 -0.00 0.00 0.77 0.00 0.00 66.41 67.34 2k3s h THR 65 Cb -0.04 0.85 -0.02 0.00 -1.74 0.00 0.00 68.15 67.21 2k3s h THR 65 CO -0.06 0.01 0.24 0.25 0.37 0.00 0.00 175.52 176.33 2k3s h LEU 66 N 0.08 0.45 -0.01 2.58 5.85 -0.00 0.94 115.31 125.20 2k3s h LEU 66 Ca 0.06 -0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.74 2k3s h LEU 66 Cb 0.05 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 40.97 2k3s h LEU 66 CO -0.08 0.36 0.01 0.00 -0.34 0.00 0.00 178.44 178.39 2k3s h ALA 67 N 1.11 0.01 -0.17 1.25 0.00 -0.81 -1.10 119.26 119.57 2k3s h ALA 67 Ca 0.14 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 2k3s h ALA 67 Cb -0.02 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 2k3s h ALA 67 CO -0.03 -0.47 0.03 0.74 0.00 0.00 0.00 179.25 179.52 2k3s h PHE 68 N -0.02 0.29 -0.52 0.00 0.04 -0.91 -1.09 116.94 114.73 2k3s h PHE 68 Ca 0.00 -0.04 0.01 0.00 2.80 0.00 0.00 57.97 60.74 2k3s h PHE 68 Cb 0.03 -0.08 -0.03 0.00 2.20 0.00 0.00 35.95 38.07 2k3s h PHE 68 CO -0.07 0.43 0.34 0.66 -0.60 0.00 0.00 178.31 179.07 2k3s h SER 69 N 0.07 0.59 -0.60 2.17 4.64 -0.78 0.53 113.55 120.17 2k3s h SER 69 Ca 0.05 -0.01 -0.08 0.00 -0.47 0.00 0.00 61.79 61.28 2k3s h SER 69 Cb 0.29 -0.14 -0.02 0.00 -0.31 0.00 0.00 62.40 62.21 2k3s h SER 69 CO 0.00 0.42 0.08 0.74 -0.87 0.00 0.00 176.83 177.20 2k3s h THR 70 N 0.70 1.26 -0.67 2.95 2.02 -1.15 0.67 112.91 118.69 2k3s h THR 70 Ca 0.19 -1.03 -0.05 0.00 0.77 0.00 0.00 66.41 66.29 2k3s h THR 70 Cb -0.07 0.76 -0.03 0.00 -1.74 0.00 0.00 68.15 67.07 2k3s h THR 70 CO -0.05 0.38 0.22 0.00 0.37 0.00 0.00 175.52 176.44 2k3s h ALA 71 N 1.01 0.88 -0.10 6.16 0.00 -0.79 0.26 119.26 126.68 2k3s h ALA 71 Ca 0.18 -0.21 -0.13 0.00 0.00 0.00 0.00 54.91 54.75 2k3s h ALA 71 Cb 0.45 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 2k3s h ALA 71 CO 0.02 0.55 -0.52 1.49 0.00 0.00 0.00 179.25 180.78 2k3s h GLU 72 N 0.97 0.26 0.24 0.00 4.81 -0.66 0.19 114.58 120.39 2k3s h GLU 72 Ca 0.22 -0.16 -0.33 0.00 -0.13 0.00 0.00 59.36 58.96 2k3s h GLU 72 Cb 0.29 0.01 0.03 0.00 0.63 0.00 0.00 28.75 29.71 2k3s h GLU 72 CO -0.01 0.72 -1.47 -0.22 -0.73 0.00 0.00 179.01 177.30 2k3s h LYS 73 N 0.21 0.50 0.00 1.92 1.63 -0.45 -2.44 116.57 117.95 2k3s h LYS 73 Ca 0.01 -0.86 -0.34 0.00 -0.85 0.00 0.00 60.65 58.60 2k3s h LYS 73 Cb 0.98 0.32 -0.06 0.00 -0.60 0.00 0.00 32.23 32.87 2k3s h LYS 73 CO 0.08 1.41 -2.14 1.28 -3.45 0.00 0.00 179.45 176.63 2k3s n LEU 74 N -3.69 0.47 0.00 5.20 4.77 0.88 -4.56 117.00 120.08 2k3s n LEU 74 Ca -0.16 0.15 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 2k3s n LEU 74 Cb 1.10 0.30 0.00 0.00 -2.33 0.00 0.00 43.42 42.49 2k3s n LEU 74 CO 0.59 0.48 0.18 0.00 -1.33 0.00 0.00 177.39 177.32 2k3s n ALA 75 N -2.70 2.34 -3.75 -1.18 0.00 0.47 -5.01 120.51 110.68 2k3s n ALA 75 Ca -0.28 -0.36 -0.26 0.00 0.00 0.00 0.00 53.44 52.54 2k3s n ALA 75 Cb 1.11 0.00 0.05 0.00 0.00 0.00 0.00 19.45 20.61 2k3s n ALA 75 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2k3s n ASP 76 N -0.27 -4.68 -4.77 0.00 8.00 -0.08 -4.93 116.55 109.82 2k3s n ASP 76 Ca 0.00 -0.69 -0.41 0.00 0.71 0.00 0.00 54.79 54.40 2k3s n ASP 76 Cb 0.00 -4.39 -0.02 0.00 -0.02 0.00 0.00 41.12 36.69 2k3s n ASP 76 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2k3s s ALA 78 N -1.08 2.85 -1.07 0.00 0.00 -1.26 -4.53 121.76 116.67 2k3s s ALA 78 Ca 0.49 0.85 -0.22 0.00 0.00 0.00 0.00 51.96 53.08 2k3s s ALA 78 Cb -0.39 -3.36 0.05 0.00 0.00 0.00 0.00 23.12 19.42 2k3s s ALA 78 CO 0.52 -0.66 1.51 -0.65 0.00 0.00 0.00 175.76 176.48 2k3s s GLN 79 N -2.98 3.65 0.00 0.00 1.11 -1.26 -4.70 119.66 115.49 2k3s s GLN 79 Ca 0.68 -1.28 0.22 0.00 0.01 0.00 0.00 55.36 54.98 2k3s s GLN 79 Cb -0.25 -5.39 -0.13 0.00 -1.01 0.00 0.00 33.01 26.22 2k3s s GLN 79 CO 0.30 -2.23 0.95 1.28 0.01 0.00 0.00 175.29 175.60 2k3s n LEU 80 N 8.85 0.89 -3.94 2.90 4.77 -1.26 -4.94 117.00 124.27 2k3s n LEU 80 Ca 0.36 -0.40 -0.11 0.00 -0.03 0.00 0.00 56.01 55.83 2k3s n LEU 80 Cb 0.50 -0.04 -0.13 0.00 -2.33 0.00 0.00 43.42 41.43 2k3s n LEU 80 CO 0.68 0.22 -0.37 -0.76 -1.33 0.00 0.00 177.39 175.83 2k3s s LEU 81 N -3.08 2.12 -0.09 2.23 1.43 -1.26 -5.02 118.68 115.01 2k3s s LEU 81 Ca 0.08 -0.26 -0.06 0.00 -1.03 0.00 0.00 54.13 52.86 2k3s s LEU 81 Cb 0.16 0.02 -0.04 0.00 0.03 0.00 0.00 46.19 46.36 2k3s s LEU 81 CO 0.85 -0.14 0.14 -1.61 0.23 0.00 0.00 176.35 175.82 2k3s s GLU 82 N -0.75 3.41 0.05 1.70 2.02 -1.26 -5.03 118.70 118.84 2k3s s GLU 82 Ca -0.08 -0.19 -0.30 0.00 0.02 0.00 0.00 54.97 54.42 2k3s s GLU 82 Cb -0.05 -3.15 -0.18 0.00 0.10 0.00 0.00 34.13 30.86 2k3s s GLU 82 CO -0.00 0.75 1.50 0.28 0.02 0.00 0.00 175.26 177.80 2k3s h VAL 83 N 3.71 0.44 -0.42 2.63 2.07 -1.97 -0.66 116.25 122.05 2k3s h VAL 83 Ca -0.53 -0.16 -0.04 0.00 0.82 0.00 0.00 66.70 66.78 2k3s h VAL 83 Cb 1.22 0.51 -0.02 0.00 -1.52 0.00 0.00 31.29 31.47 2k3s h VAL 83 CO 0.60 0.03 0.10 -2.24 0.02 0.00 0.00 177.57 176.08 2k3s h ASP 84 N -0.84 0.58 -0.50 0.57 2.03 -1.95 -2.51 116.42 113.80 2k3s h ASP 84 Ca -0.07 -0.09 -0.06 0.00 -0.73 0.00 0.00 57.03 56.08 2k3s h ASP 84 Cb 0.60 -0.15 -0.02 0.00 -0.83 0.00 0.00 39.33 38.93 2k3s h ASP 84 CO 0.12 0.59 0.08 -0.78 -1.03 0.00 0.00 179.24 178.22 2k3s h ASP 85 N 0.62 0.80 -0.55 4.15 3.58 -1.94 -0.77 116.42 122.30 2k3s h ASP 85 Ca 0.14 -0.26 -0.05 0.00 0.42 0.00 0.00 57.03 57.28 2k3s h ASP 85 Cb 0.24 -0.21 -0.03 0.00 1.72 0.00 0.00 39.33 41.05 2k3s h ASP 85 CO -0.00 0.86 0.18 0.24 -2.88 0.00 0.00 179.24 177.64 2k3s h MET 86 N 0.71 0.90 -0.33 0.28 2.86 -0.75 0.19 114.93 118.80 2k3s h MET 86 Ca 0.15 -0.17 -0.16 0.00 -2.06 0.00 0.00 59.70 57.46 2k3s h MET 86 Cb 0.40 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 31.91 2k3s h MET 86 CO 0.01 0.78 -0.42 0.28 1.06 0.00 0.00 176.91 178.61 2k3s h VAL 87 N 0.87 1.28 0.19 -2.22 2.07 -1.18 0.11 116.25 117.36 2k3s h VAL 87 Ca 0.20 -1.60 -0.01 0.00 0.82 0.00 0.00 66.70 66.11 2k3s h VAL 87 Cb 0.25 1.48 0.00 0.00 -1.52 0.00 0.00 31.29 31.50 2k3s h VAL 87 CO -0.01 0.53 -0.09 -0.09 0.02 0.00 0.00 177.57 177.93 2k3s h ARG 88 N 0.66 -0.24 -0.07 1.57 2.43 -0.68 -3.10 114.38 114.96 2k3s h ARG 88 Ca 0.05 0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 59.18 2k3s h ARG 88 Cb 1.00 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.59 2k3s h ARG 88 CO 0.10 0.10 -0.21 -0.07 -1.51 0.00 0.00 179.97 178.38 2k3s h LEU 89 N -0.61 0.10 0.00 3.80 3.38 -0.66 -3.46 115.31 117.86 2k3s h LEU 89 Ca -0.03 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.92 2k3s h LEU 89 Cb 0.45 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.17 2k3s h LEU 89 CO 0.04 0.32 0.00 0.00 0.09 0.00 0.00 178.44 178.89 2k3s n ALA 90 N -2.49 0.00 -2.55 1.53 0.00 0.36 -4.74 120.51 112.62 2k3s n ALA 90 Ca -0.02 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.01 2k3s n ALA 90 Cb 0.29 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.66 2k3s n ALA 90 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2k3s s VAL 91 N 0.00 5.09 0.78 0.00 1.01 -1.26 -4.41 120.40 121.61 2k3s s VAL 91 Ca 0.00 0.22 -0.11 0.00 0.00 0.00 0.00 61.98 62.09 2k3s s VAL 91 Cb 0.00 -3.89 0.06 0.00 0.00 0.00 0.00 36.38 32.55 2k3s s VAL 91 CO 0.00 -0.14 1.08 -2.16 0.00 0.00 0.00 175.10 173.88 2k3s s PRO 92 N 2.20 2.24 0.13 2.72 0.04 -1.26 -5.02 135.00 136.05 2k3s s PRO 92 Ca 0.15 1.03 -0.24 0.00 0.04 0.00 0.00 61.00 61.99 2k3s s PRO 92 Cb -0.16 -1.91 -0.07 0.00 0.04 0.00 0.00 34.50 32.40 2k3s s PRO 92 CO 0.12 -1.61 0.72 -0.51 0.04 0.00 0.00 177.00 175.76 2k3s s ASP 93 N -3.52 7.29 0.27 6.66 1.11 -1.26 -4.54 116.67 122.67 2k3s s ASP 93 Ca 0.61 1.53 -0.03 0.00 0.18 0.00 0.00 52.55 54.83 2k3s s ASP 93 Cb -0.16 -2.46 0.37 0.00 1.07 0.00 0.00 42.92 41.74 2k3s s ASP 93 CO 0.56 0.20 1.90 0.28 1.18 0.00 0.00 175.17 179.29 2k3s h SER 94 N 4.55 1.06 -0.24 0.27 0.02 -1.96 -2.09 113.55 115.17 2k3s h SER 94 Ca -0.47 -0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.45 2k3s h SER 94 Cb 1.21 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 63.50 2k3s h SER 94 CO 0.66 0.71 0.07 0.50 -1.14 0.00 0.00 176.83 177.63 2k3s h LYS 95 N 1.22 0.38 -0.87 3.45 3.64 -1.93 0.11 116.57 122.58 2k3s h LYS 95 Ca 0.41 -0.08 0.02 0.00 -1.27 0.00 0.00 60.65 59.73 2k3s h LYS 95 Cb 0.06 -0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 31.78 2k3s h LYS 95 CO -0.14 0.46 0.56 0.00 -2.27 0.00 0.00 179.45 178.07 2k3s h VAL 97 N 1.12 1.33 0.23 0.00 2.07 -1.26 -2.69 116.25 117.05 2k3s h VAL 97 Ca 0.33 -1.67 -0.00 0.00 0.82 0.00 0.00 66.70 66.18 2k3s h VAL 97 Cb -0.05 1.91 -0.01 0.00 -1.52 0.00 0.00 31.29 31.62 2k3s h VAL 97 CO -0.10 0.52 -0.17 0.22 0.02 0.00 0.00 177.57 178.06 2k3s h TYR 98 N 0.29 -0.45 0.00 1.57 3.20 -0.33 -1.56 116.97 119.70 2k3s h TYR 98 Ca -0.00 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.85 2k3s h TYR 98 Cb 1.03 0.17 -0.00 0.00 1.54 0.00 0.00 36.73 39.47 2k3s h TYR 98 CO 0.09 -0.26 -0.10 0.00 -1.64 0.00 0.00 178.16 176.25 2k3s h THR 99 N -0.41 0.46 0.02 1.81 1.03 -1.01 0.20 112.91 115.00 2k3s h THR 99 Ca -0.01 -0.49 -0.00 0.00 -0.01 0.00 0.00 66.41 65.90 2k3s h THR 99 Cb 0.36 1.33 0.00 0.00 -1.07 0.00 0.00 68.15 68.77 2k3s h THR 99 CO -0.00 0.09 -0.01 0.22 -0.01 0.00 0.00 175.52 175.81 2k3s h TYR 100 N 0.00 -0.03 0.00 0.00 3.20 -1.06 -3.15 116.97 115.93 2k3s h TYR 100 Ca -0.00 -0.00 -0.10 0.00 3.14 0.00 0.00 58.73 61.77 2k3s h TYR 100 Cb 0.33 0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.59 2k3s h TYR 100 CO 0.00 0.58 -0.49 0.82 -1.64 0.00 0.00 178.16 177.43 2k3s h ILE 101 N -0.66 1.13 0.21 1.81 1.08 -1.07 -2.71 117.51 117.30 2k3s h ILE 101 Ca -0.00 -1.82 0.00 0.00 -0.39 0.00 0.00 64.86 62.65 2k3s h ILE 101 Cb 0.62 2.05 -0.03 0.00 -3.07 0.00 0.00 36.82 36.39 2k3s h ILE 101 CO 0.00 0.48 -0.39 -0.61 -0.69 0.00 0.00 178.15 176.94 2k3s h GLN 102 N 0.00 -0.63 0.00 2.37 4.15 -0.64 -0.61 115.11 119.75 2k3s h GLN 102 Ca -0.00 0.04 -0.04 0.00 0.77 0.00 0.00 58.65 59.42 2k3s h GLN 102 Cb 1.01 0.14 -0.01 0.00 0.21 0.00 0.00 27.48 28.83 2k3s h GLN 102 CO 0.06 -0.42 -0.19 1.49 -1.93 0.00 0.00 178.83 177.84 2k3s h GLU 103 N -0.65 0.00 -0.67 1.69 4.57 -1.62 -2.95 114.58 114.95 2k3s h GLU 103 Ca -0.02 0.00 -0.05 0.00 -1.18 0.00 0.00 59.36 58.11 2k3s h GLU 103 Cb 0.61 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.17 2k3s h GLU 103 CO -0.15 0.19 0.23 1.25 -1.18 0.00 0.00 179.01 179.36 2k3s h LEU 104 N 0.00 0.94 -1.76 1.64 5.85 -1.11 -1.62 115.31 119.25 2k3s h LEU 104 Ca -0.00 -0.15 -0.02 0.00 0.84 0.00 0.00 57.88 58.55 2k3s h LEU 104 Cb 0.86 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.63 2k3s h LEU 104 CO 0.03 0.86 -0.02 0.22 -0.34 0.00 0.00 178.44 179.19 2k3s h TYR 105 N 0.98 0.12 0.00 1.25 3.20 -0.93 0.14 116.97 121.74 2k3s h TYR 105 Ca 0.22 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.08 2k3s h TYR 105 Cb 0.25 -0.04 -0.00 0.00 1.54 0.00 0.00 36.73 38.48 2k3s h TYR 105 CO 0.02 0.15 -0.05 -0.09 -1.64 0.00 0.00 178.16 176.55 2k3s h ARG 106 N 0.12 0.00 -0.02 1.82 2.43 -1.36 -0.19 114.38 117.18 2k3s h ARG 106 Ca 0.03 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 2k3s h ARG 106 Cb 0.12 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.67 2k3s h ARG 106 CO 0.00 0.05 -0.05 0.43 -1.51 0.00 0.00 179.97 178.89 2k3s n SER 107 N -3.20 2.05 -0.08 -3.80 7.64 0.01 -3.92 113.62 112.32 2k3s n SER 107 Ca -0.00 -1.64 -0.12 0.00 1.01 0.00 0.00 58.87 58.12 2k3s n SER 107 Cb 0.29 0.04 -0.07 0.00 -1.01 0.00 0.00 64.21 63.46 2k3s n SER 107 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2k3s n LEU 108 N 0.53 2.82 -0.23 -3.43 4.77 -0.41 -4.39 117.00 116.66 2k3s n LEU 108 Ca 0.16 -0.06 -0.06 0.00 -0.03 0.00 0.00 56.01 56.02 2k3s n LEU 108 Cb 0.45 -0.56 0.05 0.00 -2.33 0.00 0.00 43.42 41.02 2k3s n LEU 108 CO 0.18 0.74 1.13 0.58 -1.33 0.00 0.00 177.39 178.68 2k3s h VAL 109 N -0.06 1.18 -0.14 4.08 2.07 -1.26 -2.24 116.25 119.88 2k3s h VAL 109 Ca -0.37 -0.38 0.00 0.00 0.82 0.00 0.00 66.70 66.78 2k3s h VAL 109 Cb 1.55 0.26 -0.01 0.00 -1.52 0.00 0.00 31.29 31.57 2k3s h VAL 109 CO -0.08 0.18 0.09 0.06 0.02 0.00 0.00 177.57 177.85 2k3s h GLN 110 N 0.89 0.17 -0.00 1.57 3.07 -1.81 -0.00 115.11 118.99 2k3s h GLN 110 Ca 0.24 -0.01 0.00 0.00 0.09 0.00 0.00 58.65 58.97 2k3s h GLN 110 Cb -0.05 -0.04 0.00 0.00 0.08 0.00 0.00 27.48 27.47 2k3s h GLN 110 CO -0.05 0.11 -0.03 1.63 0.09 0.00 0.00 178.83 180.59 2k3s n LYS 111 N -4.52 0.24 -1.51 0.06 4.76 -0.86 -4.90 118.16 111.44 2k3s n LYS 111 Ca -0.01 -0.02 -0.10 0.00 -2.87 0.00 0.00 58.31 55.32 2k3s n LYS 111 Cb 0.09 -1.50 -0.03 0.00 -1.84 0.00 0.00 35.03 31.75 2k3s n LYS 111 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2k3s n GLY 112 N 1.39 0.85 0.26 0.72 0.00 -0.02 -4.90 105.19 103.49 2k3s n GLY 112 Ca 0.11 -0.55 -0.08 0.00 0.00 0.00 0.00 46.02 45.50 2k3s n GLY 112 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2k3s h LEU 113 N 0.00 0.77 -0.65 0.99 3.38 -1.74 -2.92 115.31 115.13 2k3s h LEU 113 Ca -0.21 -0.29 -0.06 0.00 0.09 0.00 0.00 57.88 57.41 2k3s h LEU 113 Cb 0.78 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.29 2k3s h LEU 113 CO 0.29 0.99 0.18 0.58 0.09 0.00 0.00 178.44 180.57 2k3s h VAL 114 N 0.65 1.25 -1.30 1.22 2.07 -1.87 -3.20 116.25 115.07 2k3s h VAL 114 Ca 0.09 -0.90 -0.75 0.00 0.82 0.00 0.00 66.70 65.95 2k3s h VAL 114 Cb 0.76 0.59 -0.14 0.00 -1.52 0.00 0.00 31.29 30.98 2k3s h VAL 114 CO 0.06 0.34 2.17 0.29 0.02 0.00 0.00 177.57 180.45 2k3s n LYS 115 N -4.32 3.94 0.14 1.57 5.02 -1.10 -4.64 118.16 118.76 2k3s n LYS 115 Ca 0.04 -3.50 0.13 0.00 -2.02 0.00 0.00 58.31 52.96 2k3s n LYS 115 Cb 0.23 -2.83 0.40 0.00 -0.02 0.00 0.00 35.03 32.82 2k3s n LYS 115 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 2k3s h THR 116 N 3.36 0.00 -2.02 -0.18 2.02 -1.67 -3.45 112.91 110.97 2k3s h THR 116 Ca 0.50 -0.51 -0.45 0.00 0.77 0.00 0.00 66.41 66.71 2k3s h THR 116 Cb 0.52 1.46 0.00 0.00 -1.74 0.00 0.00 68.15 68.40 2k3s h THR 116 CO 1.58 0.00 -0.33 -0.54 0.37 0.00 0.00 175.52 176.60 2k3s s LYS 117 N -3.20 3.20 -0.43 6.66 1.02 -1.26 -5.02 119.74 120.71 2k3s s LYS 117 Ca 0.08 -0.88 -0.28 0.00 0.02 0.00 0.00 55.97 54.92 2k3s s LYS 117 Cb 0.10 -2.81 -0.02 0.00 -0.52 0.00 0.00 37.83 34.59 2k3s s LYS 117 CO 0.56 0.12 1.83 0.21 -0.92 0.00 0.00 175.35 177.15 2k3s s LYS 118 N -4.17 3.07 0.00 1.68 2.47 -1.26 -5.17 119.74 116.36 2k3s s LYS 118 Ca 0.43 1.14 0.00 0.00 -1.56 0.00 0.00 55.97 55.98 2k3s s LYS 118 Cb -0.09 -4.27 0.00 0.00 -1.46 0.00 0.00 37.83 32.01 2k3s s LYS 118 CO 0.31 -2.19 0.38 1.17 0.16 0.00 0.00 175.35 175.19