#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 -0.68 -0.94 1.61 0.11 -2.08 -2.43 132.00 127.59 2k3s h PRO 2 Ca 0.00 0.05 -0.08 0.00 0.11 0.00 0.00 66.00 66.07 2k3s h PRO 2 Cb 0.00 0.15 -0.05 0.00 0.11 0.00 0.00 31.00 31.21 2k3s h PRO 2 CO 0.00 -0.45 0.11 1.28 -0.21 0.00 0.00 178.00 178.72 2k3s n LEU 3 N -5.41 3.35 -1.47 2.35 4.77 -1.26 -3.42 117.00 115.92 2k3s n LEU 3 Ca -0.11 -1.72 -0.01 0.00 -0.03 0.00 0.00 56.01 54.14 2k3s n LEU 3 Cb 0.31 -0.58 -0.01 0.00 -2.33 0.00 0.00 43.42 40.81 2k3s n LEU 3 CO 0.35 0.53 0.19 0.61 -1.33 0.00 0.00 177.39 177.73 2k3s n GLY 4 N 0.09 0.92 0.35 -0.72 0.00 -0.95 -4.93 105.19 99.95 2k3s n GLY 4 Ca 0.14 -0.53 -0.17 0.00 0.00 0.00 0.00 46.02 45.46 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 0.75 -0.79 -0.13 1.61 4.64 -1.48 0.31 113.55 118.47 2k3s h SER 5 Ca -0.36 0.05 -0.12 0.00 -0.47 0.00 0.00 61.79 60.89 2k3s h SER 5 Cb 1.65 0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 63.96 2k3s h SER 5 CO -0.05 -0.49 -0.30 0.50 -0.87 0.00 0.00 176.83 175.62 2k3s h LYS 6 N -0.78 0.61 -0.67 4.77 3.64 -1.90 -2.88 116.57 119.36 2k3s h LYS 6 Ca -0.06 -0.27 -0.04 0.00 -1.27 0.00 0.00 60.65 59.01 2k3s h LYS 6 Cb 0.64 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.41 2k3s h LYS 6 CO 0.06 0.84 0.26 -0.97 -2.27 0.00 0.00 179.45 177.37 2k3s h ASN 7 N 0.52 0.93 -0.46 4.20 -0.73 -1.87 -1.68 115.58 116.49 2k3s h ASN 7 Ca 0.06 -0.18 -0.02 0.00 1.87 0.00 0.00 56.30 58.04 2k3s h ASN 7 Cb 0.79 -0.24 -0.02 0.00 0.27 0.00 0.00 38.32 39.11 2k3s h ASN 7 CO 0.06 0.86 0.22 -0.03 -0.37 0.00 0.00 177.43 178.17 2k3s h MET 8 N 0.95 0.67 -0.81 6.67 4.05 -0.23 -0.07 114.93 126.15 2k3s h MET 8 Ca 0.22 -0.10 -0.04 0.00 -0.28 0.00 0.00 59.70 59.50 2k3s h MET 8 Cb 0.22 -0.12 -0.04 0.00 -0.80 0.00 0.00 31.60 30.87 2k3s h MET 8 CO -0.02 0.57 0.35 -0.07 0.23 0.00 0.00 176.91 177.97 2k3s h LEU 9 N 0.60 1.09 -0.43 3.39 3.38 -1.31 0.14 115.31 122.18 2k3s h LEU 9 Ca 0.16 -0.16 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 2k3s h LEU 9 Cb 0.12 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 2k3s h LEU 9 CO -0.02 0.95 -0.00 0.25 0.09 0.00 0.00 178.44 179.71 2k3s h LEU 10 N 1.17 0.75 -0.77 1.67 5.85 -0.99 -1.99 115.31 121.01 2k3s h LEU 10 Ca 0.27 -0.31 -0.10 0.00 0.84 0.00 0.00 57.88 58.58 2k3s h LEU 10 Cb 0.18 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.00 2k3s h LEU 10 CO -0.03 0.88 -0.18 -0.08 -0.34 0.00 0.00 178.44 178.69 2k3s h GLU 11 N 0.60 0.74 0.27 1.25 4.57 -0.69 -0.96 114.58 120.36 2k3s h GLU 11 Ca 0.12 -0.28 -0.01 0.00 -1.18 0.00 0.00 59.36 58.01 2k3s h GLU 11 Cb 0.50 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 29.04 2k3s h GLU 11 CO 0.02 0.87 -0.13 2.35 -1.18 0.00 0.00 179.01 180.95 2k3s h TRP 12 N 0.66 -0.34 -0.05 0.92 7.01 -0.52 -1.28 115.95 122.35 2k3s h TRP 12 Ca 0.10 -0.01 -0.09 0.00 2.11 0.00 0.00 58.89 61.00 2k3s h TRP 12 Cb 0.67 0.11 -0.01 0.00 -2.10 0.00 0.00 29.16 27.83 2k3s h TRP 12 CO 0.03 -0.18 -0.39 0.00 -2.79 0.00 0.00 178.44 175.11 2k3s h ARG 14 N 0.08 0.65 0.00 0.00 2.43 -0.92 -0.21 114.38 116.41 2k3s h ARG 14 Ca 0.01 -0.15 -0.12 0.00 -0.81 0.00 0.00 59.98 58.91 2k3s h ARG 14 Cb 0.73 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 30.18 2k3s h ARG 14 CO 0.05 0.66 -0.57 0.00 -1.51 0.00 0.00 179.97 178.60 2k3s h ALA 15 N 1.41 0.79 0.00 2.80 0.00 -0.85 -2.93 119.26 120.47 2k3s h ALA 15 Ca 0.13 -0.52 -0.05 0.00 0.00 0.00 0.00 54.91 54.47 2k3s h ALA 15 Cb 0.36 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 2k3s h ALA 15 CO 0.01 0.71 -0.43 0.52 0.00 0.00 0.00 179.25 180.06 2k3s h MET 16 N 0.00 0.00 -0.01 0.00 2.86 -0.97 -3.20 114.93 113.61 2k3s h MET 16 Ca -0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 2k3s h MET 16 Cb 1.22 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.88 2k3s h MET 16 CO 0.07 0.21 -0.12 -2.37 1.06 0.00 0.00 176.91 175.76 2k3s n THR 17 N -3.08 0.00 0.24 2.22 5.66 -0.15 -4.00 114.28 115.17 2k3s n THR 17 Ca 0.02 -0.24 0.11 0.00 -3.05 0.00 0.00 64.05 60.88 2k3s n THR 17 Cb 0.64 0.64 0.60 0.00 -1.55 0.00 0.00 70.33 70.65 2k3s n THR 17 CO 0.00 0.00 0.00 -0.09 -3.05 0.00 0.00 175.07 171.93 2k3s h ARG 18 N 2.25 0.00 -0.25 1.09 2.43 -1.51 -1.04 114.38 117.35 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 0.58 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.13 2k3s h ARG 18 CO 0.00 0.19 0.00 0.27 -1.51 0.00 0.00 179.97 178.92 2k3s n ASN 19 N -3.61 2.46 -4.06 -3.80 6.94 -1.26 -4.70 115.26 107.25 2k3s n ASN 19 Ca -0.01 -1.84 -0.32 0.00 -0.02 0.00 0.00 54.58 52.38 2k3s n ASN 19 Cb 0.32 -0.16 -0.14 0.00 -2.36 0.00 0.00 39.78 37.44 2k3s n ASN 19 CO 0.00 0.00 0.00 -0.31 -1.03 0.00 0.00 177.26 175.92 2k3s s TYR 20 N -1.68 3.65 0.73 -2.53 2.02 -0.39 -5.11 117.35 114.04 2k3s s TYR 20 Ca 0.35 -2.75 -0.12 0.00 -0.37 0.00 0.00 57.07 54.17 2k3s s TYR 20 Cb 0.20 -2.85 0.03 0.00 -0.40 0.00 0.00 41.96 38.94 2k3s s TYR 20 CO 0.28 -0.94 1.09 -1.21 -1.57 0.00 0.00 175.55 173.21 2k3s s GLU 21 N 0.99 2.50 0.00 -0.62 0.41 -1.26 -3.60 118.70 117.13 2k3s s GLU 21 Ca 0.07 1.23 0.00 0.00 -0.41 0.00 0.00 54.97 55.86 2k3s s GLU 21 Cb -0.20 -1.92 0.00 0.00 -1.78 0.00 0.00 34.13 30.23 2k3s s GLU 21 CO -0.06 -1.46 0.00 1.58 -0.49 0.00 0.00 175.26 174.82 2k3s n HIS 22 N -3.10 0.00 -2.19 1.61 -0.00 -1.26 -4.90 115.22 105.38 2k3s n HIS 22 Ca 0.09 0.00 -0.37 0.00 -0.00 0.00 0.00 57.72 57.45 2k3s n HIS 22 Cb 0.53 0.00 -0.03 0.00 -0.00 0.00 0.00 29.99 30.48 2k3s n HIS 22 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.34 176.42 2k3s s VAL 23 N 0.00 3.50 -0.46 3.57 1.01 -1.24 -4.93 120.40 121.85 2k3s s VAL 23 Ca 0.00 0.04 -0.09 0.00 0.00 0.00 0.00 61.98 61.93 2k3s s VAL 23 Cb 0.00 -4.25 0.11 0.00 0.00 0.00 0.00 36.38 32.25 2k3s s VAL 23 CO 0.00 -1.20 0.33 -0.62 0.00 0.00 0.00 175.10 173.61 2k3s s ASP 24 N 6.95 5.68 -0.54 3.32 2.15 -1.26 -4.89 116.67 128.08 2k3s s ASP 24 Ca 0.60 -1.87 -0.28 0.00 0.43 0.00 0.00 52.55 51.43 2k3s s ASP 24 Cb -0.09 -2.00 0.02 0.00 -0.30 0.00 0.00 42.92 40.55 2k3s s ASP 24 CO 0.12 -0.67 1.27 -0.63 -0.17 0.00 0.00 175.17 175.09 2k3s s ILE 25 N 1.36 3.97 -0.26 4.11 1.01 -1.26 -4.64 121.20 125.48 2k3s s ILE 25 Ca 0.05 0.90 -0.07 0.00 0.00 0.00 0.00 60.65 61.53 2k3s s ILE 25 Cb -0.26 -4.57 -0.14 0.00 0.01 0.00 0.00 42.46 37.51 2k3s s ILE 25 CO -0.01 -1.17 -0.30 0.00 0.00 0.00 0.00 174.94 173.47 2k3s n GLN 26 N 8.36 0.60 -4.02 2.79 6.02 -1.26 -4.95 117.38 124.92 2k3s n GLN 26 Ca 0.11 0.21 -0.10 0.00 -0.01 0.00 0.00 57.00 57.21 2k3s n GLN 26 Cb 0.49 -1.48 -0.07 0.00 1.02 0.00 0.00 30.24 30.19 2k3s n GLN 26 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 2k3s s ASN 27 N -7.01 0.05 -0.80 1.08 2.47 -1.26 -5.04 114.94 104.42 2k3s s ASN 27 Ca -0.36 -0.99 -0.08 0.00 0.42 0.00 0.00 52.86 51.85 2k3s s ASN 27 Cb 0.12 0.45 -0.18 0.00 -1.45 0.00 0.00 41.25 40.19 2k3s s ASN 27 CO 0.52 -0.92 3.24 0.49 -3.72 0.00 0.00 177.10 176.71 2k3s n PHE 28 N -0.25 1.19 0.00 0.43 3.72 -1.26 -3.86 117.46 117.43 2k3s n PHE 28 Ca -0.05 -2.26 0.00 0.00 -0.05 0.00 0.00 57.45 55.10 2k3s n PHE 28 Cb 0.63 -2.02 0.00 0.00 -0.94 0.00 0.00 39.48 37.15 2k3s n PHE 28 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 2k3s n SER 29 N 3.07 0.00 -0.11 4.37 2.88 -1.26 -2.99 113.62 119.57 2k3s n SER 29 Ca 0.60 0.00 -0.05 0.00 -1.33 0.00 0.00 58.87 58.08 2k3s n SER 29 Cb 0.56 0.37 0.02 0.00 -0.75 0.00 0.00 64.21 64.41 2k3s n SER 29 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 2k3s h SER 30 N 0.00 -0.02 0.11 -3.46 4.64 -1.88 -1.15 113.55 111.79 2k3s h SER 30 Ca 0.00 0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 2k3s h SER 30 Cb 0.00 0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.19 2k3s h SER 30 CO 0.00 0.03 0.00 -1.20 -0.87 0.00 0.00 176.83 174.79 2k3s n SER 31 N -5.11 0.00 -0.37 4.97 7.64 -1.25 -2.69 113.62 116.80 2k3s n SER 31 Ca 0.02 -0.66 0.05 0.00 1.01 0.00 0.00 58.87 59.29 2k3s n SER 31 Cb 0.17 -0.07 0.12 0.00 -1.01 0.00 0.00 64.21 63.42 2k3s n SER 31 CO 0.00 0.00 0.00 0.79 -3.01 0.00 0.00 175.04 172.82 2k3s n TRP 32 N -1.07 0.31 -0.12 1.43 7.02 -0.46 -4.35 117.44 120.21 2k3s n TRP 32 Ca 0.18 -0.65 -0.11 0.00 -1.02 0.00 0.00 57.50 55.90 2k3s n TRP 32 Cb 0.12 -0.11 -0.03 0.00 -2.42 0.00 0.00 31.31 28.87 2k3s n TRP 32 CO 0.00 0.00 0.00 0.66 -2.02 0.00 0.00 177.69 176.33 2k3s h SER 33 N 0.95 0.60 1.35 -0.99 4.64 -1.26 -2.91 113.55 115.93 2k3s h SER 33 Ca 0.00 -0.32 0.00 0.00 -0.47 0.00 0.00 61.79 61.00 2k3s h SER 33 Cb 0.83 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 62.75 2k3s h SER 33 CO 0.04 0.78 -0.25 0.77 -0.87 0.00 0.00 176.83 177.29 2k3s h SER 34 N 0.41 0.00 0.00 4.97 4.64 -1.83 -3.45 113.55 118.30 2k3s h SER 34 Ca 0.09 -0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 2k3s h SER 34 Cb 0.48 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.57 2k3s h SER 34 CO 0.02 0.03 0.00 0.61 -0.87 0.00 0.00 176.83 176.62 2k3s n GLY 35 N 1.27 1.53 0.36 -0.77 0.00 -1.10 -4.80 105.19 101.69 2k3s n GLY 35 Ca 0.04 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.13 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 2.76 0.87 -0.50 1.61 2.86 -1.87 -1.05 114.93 119.62 2k3s h MET 36 Ca 0.00 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.58 2k3s h MET 36 Cb 0.00 -0.20 -0.02 0.00 0.06 0.00 0.00 31.60 31.44 2k3s h MET 36 CO 0.00 0.58 0.28 0.00 1.06 0.00 0.00 176.91 178.83 2k3s h ALA 37 N 1.55 1.56 0.25 6.32 0.00 -1.90 0.52 119.26 127.55 2k3s h ALA 37 Ca 0.39 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.22 2k3s h ALA 37 Cb 0.34 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2k3s h ALA 37 CO -0.16 0.38 -0.12 0.74 0.00 0.00 0.00 179.25 180.09 2k3s h PHE 38 N 0.69 -0.31 -0.98 0.00 0.04 -1.55 -0.55 116.94 114.29 2k3s h PHE 38 Ca 0.18 -0.01 0.02 0.00 2.80 0.00 0.00 57.97 60.96 2k3s h PHE 38 Cb 0.01 0.10 -0.05 0.00 2.20 0.00 0.00 35.95 38.21 2k3s h PHE 38 CO 0.00 -0.03 0.64 0.00 -0.60 0.00 0.00 178.31 178.33 2k3s h ALA 40 N 1.37 0.26 -0.33 0.00 0.00 -0.80 0.33 119.26 120.10 2k3s h ALA 40 Ca 0.37 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 2k3s h ALA 40 Cb -0.10 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 2k3s h ALA 40 CO -0.09 -0.14 0.17 1.25 0.00 0.00 0.00 179.25 180.43 2k3s h LEU 41 N 0.17 0.42 -0.45 0.00 5.85 -0.73 -0.26 115.31 120.31 2k3s h LEU 41 Ca 0.07 -0.11 -0.03 0.00 0.84 0.00 0.00 57.88 58.65 2k3s h LEU 41 Cb 0.19 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.09 2k3s h LEU 41 CO -0.00 0.42 0.17 0.40 -0.34 0.00 0.00 178.44 179.08 2k3s h ILE 42 N 0.40 1.21 0.00 4.05 1.08 -1.10 -2.51 117.51 120.63 2k3s h ILE 42 Ca 0.11 -0.65 -0.04 0.00 -0.39 0.00 0.00 64.86 63.89 2k3s h ILE 42 Cb 0.10 0.80 -0.01 0.00 -3.07 0.00 0.00 36.82 34.64 2k3s h ILE 42 CO -0.02 0.24 -0.19 -0.74 -0.69 0.00 0.00 178.15 176.75 2k3s h HIS 43 N 0.58 0.00 0.00 1.37 2.76 -0.74 0.25 115.15 119.38 2k3s h HIS 43 Ca 0.15 0.00 -0.05 0.00 -2.20 0.00 0.00 60.37 58.27 2k3s h HIS 43 Cb 0.21 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.16 2k3s h HIS 43 CO 0.00 0.19 -0.25 0.87 -1.30 0.00 0.00 177.93 177.45 2k3s h LYS 44 N 0.00 0.00 0.00 5.26 1.79 -0.58 -3.25 116.57 119.79 2k3s h LYS 44 Ca -0.00 0.00 -0.19 0.00 -2.18 0.00 0.00 60.65 58.28 2k3s h LYS 44 Cb 0.47 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 31.08 2k3s h LYS 44 CO 0.02 0.25 -1.74 1.19 -1.08 0.00 0.00 179.45 178.09 2k3s n PHE 45 N -3.69 0.00 -3.85 -1.35 3.72 -0.94 -4.83 117.46 106.51 2k3s n PHE 45 Ca -0.01 0.00 -0.32 0.00 -0.05 0.00 0.00 57.45 57.06 2k3s n PHE 45 Cb 0.36 -0.53 -0.12 0.00 -0.94 0.00 0.00 39.48 38.25 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 -2.29 3.32 0.36 1.38 0.08 0.85 -4.93 117.98 116.74 2k3s s PHE 46 Ca -0.05 -3.02 0.32 0.00 0.12 0.00 0.00 56.93 54.30 2k3s s PHE 46 Cb 0.03 -2.97 1.58 0.00 -0.57 0.00 0.00 43.02 41.10 2k3s s PHE 46 CO 0.45 -0.76 2.09 -1.35 -0.10 0.00 0.00 175.22 175.55 2k3s h PRO 47 N 6.58 0.00 -0.64 0.24 0.11 -1.82 -2.13 132.00 134.33 2k3s h PRO 47 Ca -0.03 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.08 2k3s h PRO 47 Cb 0.90 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.01 2k3s h PRO 47 CO 0.71 0.07 0.00 0.39 -0.21 0.00 0.00 178.00 178.96 2k3s n GLU 48 N -3.36 2.60 0.13 1.05 1.02 -1.26 -4.44 120.64 116.38 2k3s n GLU 48 Ca -0.01 -2.32 -0.06 0.00 -0.02 0.00 0.00 57.16 54.75 2k3s n GLU 48 Cb 0.24 -1.54 -0.03 0.00 -0.02 0.00 0.00 31.44 30.09 2k3s n GLU 48 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2k3s h ALA 49 N 4.14 -0.47 -2.70 0.62 0.00 -1.75 -3.49 119.26 115.61 2k3s h ALA 49 Ca 0.00 -0.08 0.10 0.00 0.00 0.00 0.00 54.91 54.92 2k3s h ALA 49 Cb 0.91 0.15 -0.08 0.00 0.00 0.00 0.00 17.79 18.77 2k3s h ALA 49 CO 0.03 -0.44 0.34 -0.59 0.00 0.00 0.00 179.25 178.59 2k3s s PHE 50 N -2.83 -0.24 -0.42 0.00 -0.12 -1.26 -5.05 117.98 108.07 2k3s s PHE 50 Ca -0.06 -0.10 -0.19 0.00 -0.05 0.00 0.00 56.93 56.54 2k3s s PHE 50 Cb 0.01 0.65 0.02 0.00 -0.63 0.00 0.00 43.02 43.06 2k3s s PHE 50 CO 0.17 -0.97 0.54 0.34 -0.05 0.00 0.00 175.22 175.25 2k3s s ASP 51 N -2.86 6.27 0.26 1.98 -1.08 -1.26 -4.92 116.67 115.07 2k3s s ASP 51 Ca 0.09 -0.43 0.07 0.00 -0.52 0.00 0.00 52.55 51.77 2k3s s ASP 51 Cb -0.03 -2.27 0.34 0.00 -1.46 0.00 0.00 42.92 39.49 2k3s s ASP 51 CO 0.01 -0.65 1.61 0.22 0.52 0.00 0.00 175.17 176.87 2k3s h TYR 52 N 8.76 0.17 0.00 -5.34 3.20 -1.97 -2.70 116.97 119.09 2k3s h TYR 52 Ca -0.26 -0.06 -0.01 0.00 3.14 0.00 0.00 58.73 61.54 2k3s h TYR 52 Cb 1.11 -0.03 -0.00 0.00 1.54 0.00 0.00 36.73 39.34 2k3s h TYR 52 CO 0.68 0.68 -0.03 0.00 -1.64 0.00 0.00 178.16 177.86 2k3s h ALA 53 N 1.31 1.02 -0.02 1.82 0.00 -2.02 -1.82 119.26 119.55 2k3s h ALA 53 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2k3s h ALA 53 Cb 1.05 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.83 2k3s h ALA 53 CO 0.08 0.03 -0.20 0.39 0.00 0.00 0.00 179.25 179.56 2k3s n GLU 54 N -3.15 1.41 -2.12 0.00 4.71 -1.03 -4.94 120.64 115.52 2k3s n GLU 54 Ca -0.00 -0.99 -0.28 0.00 -0.01 0.00 0.00 57.16 55.88 2k3s n GLU 54 Cb 0.28 -1.48 0.05 0.00 -1.01 0.00 0.00 31.44 29.28 2k3s n GLU 54 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 2k3s s LEU 55 N -2.28 2.97 -0.17 -4.62 1.43 -0.68 -5.07 118.68 110.26 2k3s s LEU 55 Ca 0.27 0.85 -0.18 0.00 -1.03 0.00 0.00 54.13 54.03 2k3s s LEU 55 Cb 0.20 -3.60 0.05 0.00 0.03 0.00 0.00 46.19 42.86 2k3s s LEU 55 CO 0.44 -1.33 0.51 -0.62 0.23 0.00 0.00 176.35 175.59 2k3s s ASP 56 N -4.38 -0.52 0.62 2.29 -1.08 -1.26 -5.04 116.67 107.30 2k3s s ASP 56 Ca 0.57 0.96 0.27 0.00 -0.52 0.00 0.00 52.55 53.83 2k3s s ASP 56 Cb -0.11 0.98 1.35 0.00 -1.46 0.00 0.00 42.92 43.68 2k3s s ASP 56 CO 0.48 -0.22 1.77 -0.65 0.52 0.00 0.00 175.17 177.07 2k3s h PRO 57 N 5.10 0.00 0.00 4.34 0.11 -1.99 0.99 132.00 140.56 2k3s h PRO 57 Ca -0.28 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.81 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 0.21 0.00 -0.13 0.00 -0.21 0.00 0.00 178.00 177.87 2k3s h ALA 58 N 1.21 1.31 -0.70 -0.75 0.00 -2.01 -1.85 119.26 116.48 2k3s h ALA 58 Ca 0.17 -0.12 -0.33 0.00 0.00 0.00 0.00 54.91 54.64 2k3s h ALA 58 Cb 1.31 -0.02 -0.20 0.00 0.00 0.00 0.00 17.79 18.88 2k3s h ALA 58 CO -0.00 0.16 0.42 1.63 0.00 0.00 0.00 179.25 181.46 2k3s n LYS 59 N -3.69 2.23 -0.30 0.00 5.02 0.34 -4.57 118.16 117.19 2k3s n LYS 59 Ca -0.02 -2.25 0.09 0.00 -2.02 0.00 0.00 58.31 54.11 2k3s n LYS 59 Cb 0.24 -1.91 0.25 0.00 -0.02 0.00 0.00 35.03 33.60 2k3s n LYS 59 CO 0.00 0.00 0.00 -0.09 -0.52 0.00 0.00 177.40 176.79 2k3s h ARG 60 N 1.08 0.57 0.00 1.97 1.12 -1.48 0.40 114.38 118.04 2k3s h ARG 60 Ca 0.40 -0.03 -0.08 0.00 -1.11 0.00 0.00 59.98 59.16 2k3s h ARG 60 Cb 2.28 -0.13 -0.01 0.00 -0.01 0.00 0.00 29.97 32.10 2k3s h ARG 60 CO 0.76 0.38 -0.36 0.07 -3.11 0.00 0.00 179.97 177.71 2k3s h ARG 61 N 0.59 0.00 0.00 0.20 0.11 -1.86 -2.97 114.38 110.44 2k3s h ARG 61 Ca 0.49 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.57 2k3s h ARG 61 Cb 0.75 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.83 2k3s h ARG 61 CO -0.40 0.36 -1.29 1.58 0.10 0.00 0.00 179.97 180.33 2k3s n HIS 62 N -3.89 0.65 -0.13 4.08 -0.00 -0.04 -4.22 115.22 111.68 2k3s n HIS 62 Ca -0.01 0.19 -0.06 0.00 0.46 0.00 0.00 57.72 58.29 2k3s n HIS 62 Cb 0.42 -0.80 0.02 0.00 -0.12 0.00 0.00 29.99 29.52 2k3s n HIS 62 CO 0.00 0.00 0.00 -0.91 0.46 0.00 0.00 176.34 175.89 2k3s h ASN 63 N 0.00 0.35 -0.41 0.26 2.35 -0.14 0.18 115.58 118.17 2k3s h ASN 63 Ca 0.00 0.01 0.01 0.00 -0.55 0.00 0.00 56.30 55.77 2k3s h ASN 63 Cb 0.98 -0.06 -0.02 0.00 0.05 0.00 0.00 38.32 39.27 2k3s h ASN 63 CO 0.00 0.25 0.26 -0.26 -1.65 0.00 0.00 177.43 176.03 2k3s h PHE 64 N 0.46 0.50 0.04 1.19 0.04 -1.73 -0.67 116.94 116.77 2k3s h PHE 64 Ca 0.17 0.01 -0.00 0.00 2.80 0.00 0.00 57.97 60.95 2k3s h PHE 64 Cb 0.05 -0.17 0.00 0.00 2.20 0.00 0.00 35.95 38.03 2k3s h PHE 64 CO -0.09 0.31 -0.02 1.15 -0.60 0.00 0.00 178.31 179.06 2k3s h THR 65 N 0.54 1.00 -0.38 -1.55 2.02 -1.61 -0.51 112.91 112.42 2k3s h THR 65 Ca 0.15 -0.13 0.05 0.00 0.77 0.00 0.00 66.41 67.24 2k3s h THR 65 Cb -0.05 1.09 -0.04 0.00 -1.74 0.00 0.00 68.15 67.40 2k3s h THR 65 CO -0.04 0.03 0.12 0.25 0.37 0.00 0.00 175.52 176.25 2k3s h LEU 66 N -0.12 0.12 0.19 2.58 5.85 -0.44 0.31 115.31 123.80 2k3s h LEU 66 Ca -0.01 0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.75 2k3s h LEU 66 Cb 0.10 0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.17 2k3s h LEU 66 CO 0.01 0.10 -0.09 0.00 -0.34 0.00 0.00 178.44 178.12 2k3s h ALA 67 N 1.25 -0.26 0.55 1.25 0.00 -0.99 -2.17 119.26 118.90 2k3s h ALA 67 Ca 0.17 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 2k3s h ALA 67 Cb 0.16 0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.06 2k3s h ALA 67 CO -0.19 -0.58 -0.26 0.74 0.00 0.00 0.00 179.25 178.96 2k3s h PHE 68 N -0.39 -0.68 -0.73 0.00 0.04 -0.87 -1.84 116.94 112.47 2k3s h PHE 68 Ca -0.03 -0.02 0.09 0.00 2.80 0.00 0.00 57.97 60.81 2k3s h PHE 68 Cb 0.30 0.22 -0.07 0.00 2.20 0.00 0.00 35.95 38.61 2k3s h PHE 68 CO -0.02 -0.35 0.39 0.77 -0.60 0.00 0.00 178.31 178.49 2k3s h SER 69 N -0.99 0.53 -0.41 2.17 0.02 -0.48 0.23 113.55 114.63 2k3s h SER 69 Ca -0.07 0.05 -0.13 0.00 -0.84 0.00 0.00 61.79 60.80 2k3s h SER 69 Cb 0.63 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 63.11 2k3s h SER 69 CO 0.12 0.31 -0.23 0.74 -1.14 0.00 0.00 176.83 176.64 2k3s h THR 70 N 0.67 1.27 -0.66 -2.27 2.02 -1.44 -2.05 112.91 110.45 2k3s h THR 70 Ca 0.35 -1.38 -0.07 0.00 0.77 0.00 0.00 66.41 66.08 2k3s h THR 70 Cb 0.33 1.17 -0.03 0.00 -1.74 0.00 0.00 68.15 67.88 2k3s h THR 70 CO -0.25 0.47 0.13 0.00 0.37 0.00 0.00 175.52 176.24 2k3s h ALA 71 N 0.94 0.87 0.00 6.16 0.00 -0.44 0.88 119.26 127.67 2k3s h ALA 71 Ca 0.10 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.75 2k3s h ALA 71 Cb 0.79 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.33 2k3s h ALA 71 CO 0.07 0.62 0.00 0.93 0.00 0.00 0.00 179.25 180.87 2k3s h GLU 72 N 1.00 0.00 0.05 0.00 5.08 -0.36 0.26 114.58 120.61 2k3s h GLU 72 Ca 0.20 0.00 -0.37 0.00 -1.00 0.00 0.00 59.36 58.19 2k3s h GLU 72 Cb 0.41 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.62 2k3s h GLU 72 CO 0.01 0.00 -2.19 1.17 -1.00 0.00 0.00 179.01 177.00 2k3s n LYS 73 N -2.57 0.69 -0.04 2.33 0.00 -0.69 -3.11 118.16 114.77 2k3s n LYS 73 Ca 0.01 0.24 -0.16 0.00 0.00 0.00 0.00 58.31 58.39 2k3s n LYS 73 Cb 0.20 -1.62 -0.13 0.00 0.00 0.00 0.00 35.03 33.48 2k3s n LYS 73 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.40 177.33 2k3s h LEU 74 N -0.11 0.14 0.00 3.14 3.38 -0.71 -3.40 115.31 117.75 2k3s h LEU 74 Ca -0.51 -0.95 -0.08 0.00 0.09 0.00 0.00 57.88 56.44 2k3s h LEU 74 Cb 1.90 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 42.58 2k3s h LEU 74 CO -0.05 1.16 -1.65 0.00 0.09 0.00 0.00 178.44 178.00 2k3s n ALA 75 N -2.69 2.19 -2.44 1.53 0.00 0.38 -5.06 120.51 114.42 2k3s n ALA 75 Ca -0.13 -0.47 -0.01 0.00 0.00 0.00 0.00 53.44 52.83 2k3s n ALA 75 Cb 0.60 -0.27 0.01 0.00 0.00 0.00 0.00 19.45 19.79 2k3s n ALA 75 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2k3s n ASP 76 N -2.11 -5.36 -4.93 0.00 -0.08 0.62 -4.97 116.55 99.71 2k3s n ASP 76 Ca -0.08 -0.09 -0.25 0.00 -1.51 0.00 0.00 54.79 52.86 2k3s n ASP 76 Cb 0.53 -3.53 0.03 0.00 2.34 0.00 0.00 41.12 40.49 2k3s n ASP 76 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2k3s s ALA 78 N -2.92 3.30 -1.34 0.00 0.00 -1.26 -4.75 121.76 114.78 2k3s s ALA 78 Ca 0.54 0.57 -0.15 0.00 0.00 0.00 0.00 51.96 52.92 2k3s s ALA 78 Cb -0.10 -3.40 -0.01 0.00 0.00 0.00 0.00 23.12 19.61 2k3s s ALA 78 CO 0.43 -0.41 2.24 0.00 0.00 0.00 0.00 175.76 178.02 2k3s n GLN 79 N 4.31 2.68 0.00 0.00 10.64 -1.26 -4.55 117.38 129.19 2k3s n GLN 79 Ca 0.08 -2.41 0.13 0.00 -1.83 0.00 0.00 57.00 52.97 2k3s n GLN 79 Cb 0.49 -3.16 0.45 0.00 -0.86 0.00 0.00 30.24 27.15 2k3s n GLN 79 CO 0.00 0.00 0.00 1.28 -1.83 0.00 0.00 177.06 176.51 2k3s n LEU 80 N 6.07 0.95 -4.20 2.61 4.77 -1.26 -4.80 117.00 121.14 2k3s n LEU 80 Ca 0.54 -0.23 -0.33 0.00 -0.03 0.00 0.00 56.01 55.97 2k3s n LEU 80 Cb 0.37 -0.12 -0.16 0.00 -2.33 0.00 0.00 43.42 41.18 2k3s n LEU 80 CO 0.92 0.17 -0.54 -0.76 -1.33 0.00 0.00 177.39 175.85 2k3s s LEU 81 N -2.44 2.18 -0.06 2.23 1.43 -1.26 -5.05 118.68 115.70 2k3s s LEU 81 Ca 0.27 -0.57 -0.25 0.00 -1.03 0.00 0.00 54.13 52.55 2k3s s LEU 81 Cb 0.20 -1.46 -0.03 0.00 0.03 0.00 0.00 46.19 44.92 2k3s s LEU 81 CO 0.49 0.10 0.78 -1.61 0.23 0.00 0.00 176.35 176.34 2k3s s GLU 82 N 0.70 4.45 0.00 1.70 2.02 -1.26 -5.00 118.70 121.30 2k3s s GLU 82 Ca -0.10 1.02 -0.05 0.00 0.02 0.00 0.00 54.97 55.87 2k3s s GLU 82 Cb -0.16 -3.47 -0.03 0.00 0.10 0.00 0.00 34.13 30.58 2k3s s GLU 82 CO 0.01 -0.01 0.88 0.28 0.02 0.00 0.00 175.26 176.44 2k3s h VAL 83 N 4.82 0.00 -0.97 2.63 2.07 -1.97 -2.00 116.25 120.82 2k3s h VAL 83 Ca -0.40 -0.03 0.06 0.00 0.82 0.00 0.00 66.70 67.15 2k3s h VAL 83 Cb 1.19 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 30.90 2k3s h VAL 83 CO 0.76 0.00 0.63 -0.78 0.02 0.00 0.00 177.57 178.20 2k3s h ASP 84 N -0.20 1.01 -0.81 0.57 3.58 -1.95 -1.21 116.42 117.40 2k3s h ASP 84 Ca -0.02 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.44 2k3s h ASP 84 Cb 0.13 -0.21 -0.04 0.00 1.72 0.00 0.00 39.33 40.93 2k3s h ASP 84 CO 0.03 0.65 0.53 -0.78 -2.88 0.00 0.00 179.24 176.79 2k3s h ASP 85 N 1.14 0.95 0.33 2.28 3.58 -1.99 -1.33 116.42 121.38 2k3s h ASP 85 Ca 0.41 -0.04 -0.14 0.00 0.42 0.00 0.00 57.03 57.69 2k3s h ASP 85 Cb 0.15 -0.24 -0.01 0.00 1.72 0.00 0.00 39.33 40.95 2k3s h ASP 85 CO -0.16 0.70 -0.56 0.24 -2.88 0.00 0.00 179.24 176.59 2k3s h MET 86 N 1.11 0.24 0.12 0.28 2.86 -0.54 -1.07 114.93 117.92 2k3s h MET 86 Ca 0.30 -0.15 -0.01 0.00 -2.06 0.00 0.00 59.70 57.78 2k3s h MET 86 Cb -0.11 0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.57 2k3s h MET 86 CO -0.06 0.73 -0.06 0.28 1.06 0.00 0.00 176.91 178.87 2k3s h VAL 87 N 0.18 0.97 -0.41 -2.22 2.07 -0.54 0.17 116.25 116.46 2k3s h VAL 87 Ca -0.00 -0.30 -0.13 0.00 0.82 0.00 0.00 66.70 67.09 2k3s h VAL 87 Cb 1.04 1.16 -0.01 0.00 -1.52 0.00 0.00 31.29 31.96 2k3s h VAL 87 CO 0.09 0.07 -0.25 0.08 0.02 0.00 0.00 177.57 177.58 2k3s h ARG 88 N -0.30 0.85 -0.30 1.57 0.11 -1.25 -3.17 114.38 111.90 2k3s h ARG 88 Ca -0.02 -0.36 -0.05 0.00 0.10 0.00 0.00 59.98 59.65 2k3s h ARG 88 Cb 0.24 -0.03 -0.01 0.00 1.11 0.00 0.00 29.97 31.28 2k3s h ARG 88 CO 0.03 1.00 -0.01 -0.07 0.10 0.00 0.00 179.97 181.02 2k3s h LEU 89 N 0.73 0.53 0.00 0.08 3.38 -1.11 -3.46 115.31 115.46 2k3s h LEU 89 Ca 0.09 -0.32 0.00 0.00 0.09 0.00 0.00 57.88 57.74 2k3s h LEU 89 Cb 0.79 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.40 2k3s h LEU 89 CO 0.07 0.72 0.00 0.00 0.09 0.00 0.00 178.44 179.32 2k3s n ALA 90 N -2.37 0.00 -3.47 1.53 0.00 0.57 -4.80 120.51 111.97 2k3s n ALA 90 Ca -0.03 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.00 2k3s n ALA 90 Cb 0.27 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.64 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 4.31 0.82 0.00 1.01 -1.26 -4.06 120.40 121.22 2k3s s VAL 91 Ca 0.00 -1.68 -0.12 0.00 0.00 0.00 0.00 61.98 60.18 2k3s s VAL 91 Cb 0.00 -3.79 0.09 0.00 0.00 0.00 0.00 36.38 32.67 2k3s s VAL 91 CO 0.00 -0.73 1.19 -2.16 0.00 0.00 0.00 175.10 173.40 2k3s s PRO 92 N 1.40 1.87 -0.14 2.72 0.04 -1.26 -5.06 135.00 134.55 2k3s s PRO 92 Ca 0.05 0.07 -0.09 0.00 0.04 0.00 0.00 61.00 61.08 2k3s s PRO 92 Cb -0.26 -1.94 -0.04 0.00 0.04 0.00 0.00 34.50 32.29 2k3s s PRO 92 CO 0.00 -1.66 0.16 0.34 0.04 0.00 0.00 177.00 175.88 2k3s s ASP 93 N -4.60 6.35 0.52 6.66 -1.08 -1.26 -4.61 116.67 118.65 2k3s s ASP 93 Ca 0.63 0.41 0.16 0.00 -0.52 0.00 0.00 52.55 53.23 2k3s s ASP 93 Cb -0.11 -2.09 1.28 0.00 -1.46 0.00 0.00 42.92 40.54 2k3s s ASP 93 CO 0.49 0.30 2.15 0.28 0.52 0.00 0.00 175.17 178.92 2k3s h SER 94 N 5.67 0.00 -0.47 -0.34 0.02 -1.95 -1.70 113.55 114.78 2k3s h SER 94 Ca -0.49 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 60.37 2k3s h SER 94 Cb 1.20 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.72 2k3s h SER 94 CO 0.66 0.00 -0.08 0.50 -1.14 0.00 0.00 176.83 176.77 2k3s h LYS 95 N 0.00 0.88 -0.25 3.45 3.11 -1.94 0.54 116.57 122.36 2k3s h LYS 95 Ca -0.00 -0.32 -0.20 0.00 -2.81 0.00 0.00 60.65 57.32 2k3s h LYS 95 Cb 0.00 -0.06 0.00 0.00 -1.00 0.00 0.00 32.23 31.18 2k3s h LYS 95 CO 0.00 0.96 -0.61 0.00 -2.81 0.00 0.00 179.45 176.99 2k3s h VAL 97 N 0.64 1.25 -0.58 0.00 2.07 -1.23 -2.68 116.25 115.72 2k3s h VAL 97 Ca -0.00 -0.87 0.07 0.00 0.82 0.00 0.00 66.70 66.72 2k3s h VAL 97 Cb 1.23 1.27 -0.06 0.00 -1.52 0.00 0.00 31.29 32.21 2k3s h VAL 97 CO 0.13 0.28 0.27 0.22 0.02 0.00 0.00 177.57 178.49 2k3s h TYR 98 N 0.28 0.48 -0.70 1.57 3.20 -0.90 0.10 116.97 121.00 2k3s h TYR 98 Ca 0.08 0.03 0.05 0.00 3.14 0.00 0.00 58.73 62.02 2k3s h TYR 98 Cb 0.39 -0.13 -0.05 0.00 1.54 0.00 0.00 36.73 38.48 2k3s h TYR 98 CO 0.03 0.19 0.42 1.15 -1.64 0.00 0.00 178.16 178.31 2k3s h THR 99 N 0.50 1.03 -0.12 1.81 2.02 -1.34 0.91 112.91 117.71 2k3s h THR 99 Ca 0.27 -0.27 -0.04 0.00 0.77 0.00 0.00 66.41 67.15 2k3s h THR 99 Cb 0.25 0.18 -0.00 0.00 -1.74 0.00 0.00 68.15 66.83 2k3s h THR 99 CO -0.22 0.14 -0.06 0.22 0.37 0.00 0.00 175.52 175.96 2k3s h TYR 100 N 0.79 0.29 -1.00 3.16 3.20 -1.03 -2.77 116.97 119.60 2k3s h TYR 100 Ca 0.30 -0.07 0.01 0.00 3.14 0.00 0.00 58.73 62.11 2k3s h TYR 100 Cb 0.11 -0.07 -0.05 0.00 1.54 0.00 0.00 36.73 38.27 2k3s h TYR 100 CO -0.06 0.61 0.66 0.82 -1.64 0.00 0.00 178.16 178.55 2k3s h ILE 101 N -0.11 1.24 0.05 1.81 1.08 -0.72 -0.76 117.51 120.10 2k3s h ILE 101 Ca 0.02 -0.46 -0.00 0.00 -0.39 0.00 0.00 64.86 64.03 2k3s h ILE 101 Cb 0.53 -0.22 0.00 0.00 -3.07 0.00 0.00 36.82 34.07 2k3s h ILE 101 CO 0.02 0.25 -0.03 -0.61 -0.69 0.00 0.00 178.15 177.09 2k3s h GLN 102 N 1.34 -0.07 -0.33 2.37 4.15 -0.79 -0.54 115.11 121.25 2k3s h GLN 102 Ca 0.37 0.00 -0.09 0.00 0.77 0.00 0.00 58.65 59.71 2k3s h GLN 102 Cb -0.13 0.02 -0.02 0.00 0.21 0.00 0.00 27.48 27.56 2k3s h GLN 102 CO -0.09 -0.03 -0.16 0.93 -1.93 0.00 0.00 178.83 177.56 2k3s h GLU 103 N -0.09 0.58 -0.65 1.69 4.39 -1.21 -1.78 114.58 117.52 2k3s h GLU 103 Ca -0.01 -0.19 -0.07 0.00 0.34 0.00 0.00 59.36 59.44 2k3s h GLU 103 Cb 0.07 -0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 28.64 2k3s h GLU 103 CO 0.01 0.72 0.15 1.25 -1.16 0.00 0.00 179.01 179.98 2k3s h LEU 104 N 0.53 0.98 -1.13 1.33 5.85 -0.90 -2.26 115.31 119.71 2k3s h LEU 104 Ca 0.09 -0.20 -0.09 0.00 0.84 0.00 0.00 57.88 58.52 2k3s h LEU 104 Cb 0.58 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.34 2k3s h LEU 104 CO 0.04 0.95 -0.37 0.22 -0.34 0.00 0.00 178.44 178.94 2k3s h TYR 105 N 0.99 0.14 -0.61 1.25 3.20 -0.64 -2.31 116.97 118.99 2k3s h TYR 105 Ca 0.21 -0.03 0.04 0.00 3.14 0.00 0.00 58.73 62.09 2k3s h TYR 105 Cb 0.36 -0.03 -0.05 0.00 1.54 0.00 0.00 36.73 38.55 2k3s h TYR 105 CO 0.03 0.48 0.34 0.00 -1.64 0.00 0.00 178.16 177.37 2k3s h ARG 106 N 0.11 0.64 -0.07 1.82 3.08 -0.72 -0.55 114.38 118.68 2k3s h ARG 106 Ca 0.01 -0.04 -0.19 0.00 0.07 0.00 0.00 59.98 59.83 2k3s h ARG 106 Cb 0.70 -0.14 -0.00 0.00 0.08 0.00 0.00 29.97 30.60 2k3s h ARG 106 CO 0.05 0.42 -0.75 0.77 -1.07 0.00 0.00 179.97 179.39 2k3s h SER 107 N 0.66 0.50 0.00 7.04 0.02 -1.44 -3.12 113.55 117.21 2k3s h SER 107 Ca 0.26 -0.33 -0.03 0.00 -0.84 0.00 0.00 61.79 60.85 2k3s h SER 107 Cb 0.12 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.50 2k3s h SER 107 CO -0.15 1.08 -0.07 -0.07 -1.14 0.00 0.00 176.83 176.48 2k3s h LEU 108 N 0.28 0.16 0.21 5.07 3.38 -0.81 -0.29 115.31 123.31 2k3s h LEU 108 Ca -0.04 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 2k3s h LEU 108 Cb 1.33 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 42.04 2k3s h LEU 108 CO 0.13 0.26 -0.10 0.58 0.09 0.00 0.00 178.44 179.40 2k3s h VAL 109 N 0.17 0.88 -0.34 1.22 2.07 -1.06 0.00 116.25 119.19 2k3s h VAL 109 Ca 0.04 -0.57 -0.07 0.00 0.82 0.00 0.00 66.70 66.92 2k3s h VAL 109 Cb 0.24 1.21 -0.02 0.00 -1.52 0.00 0.00 31.29 31.20 2k3s h VAL 109 CO 0.01 0.13 -0.09 0.06 0.02 0.00 0.00 177.57 177.69 2k3s h GLN 110 N -0.57 0.57 -0.01 1.57 3.07 -1.52 -2.34 115.11 115.88 2k3s h GLN 110 Ca -0.03 -0.16 -0.12 0.00 0.09 0.00 0.00 58.65 58.44 2k3s h GLN 110 Cb 0.42 -0.06 -0.02 0.00 0.08 0.00 0.00 27.48 27.90 2k3s h GLN 110 CO 0.05 0.66 -0.54 -0.22 0.09 0.00 0.00 178.83 178.87 2k3s h LYS 111 N 0.53 0.03 -0.52 0.06 1.63 -1.01 -3.47 116.57 113.82 2k3s h LYS 111 Ca 0.10 -0.02 -0.08 0.00 -0.85 0.00 0.00 60.65 59.80 2k3s h LYS 111 Cb 0.48 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.10 2k3s h LYS 111 CO 0.03 0.56 -0.10 0.41 -3.45 0.00 0.00 179.45 176.90 2k3s n GLY 112 N 0.03 0.28 0.17 5.01 0.00 -0.04 -4.93 105.19 105.71 2k3s n GLY 112 Ca -0.01 -0.75 0.12 0.00 0.00 0.00 0.00 46.02 45.38 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 0.00 0.06 0.99 3.38 -1.78 -3.26 115.31 114.70 2k3s h LEU 113 Ca -0.09 -0.01 -0.26 0.00 0.09 0.00 0.00 57.88 57.61 2k3s h LEU 113 Cb 0.95 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.68 2k3s h LEU 113 CO 0.11 0.01 -1.27 0.58 0.09 0.00 0.00 178.44 177.96 2k3s h VAL 114 N 0.00 1.43 -0.20 1.22 2.07 -1.92 -3.31 116.25 115.54 2k3s h VAL 114 Ca 0.00 -3.11 -0.11 0.00 0.82 0.00 0.00 66.70 64.30 2k3s h VAL 114 Cb 0.93 2.80 -0.06 0.00 -1.52 0.00 0.00 31.29 33.44 2k3s h VAL 114 CO 0.00 0.86 0.14 2.29 0.02 0.00 0.00 177.57 180.88 2k3s n LYS 115 N -3.38 1.27 0.00 1.57 2.85 -1.23 -3.70 118.16 115.54 2k3s n LYS 115 Ca -0.08 -0.61 0.11 0.00 -1.05 0.00 0.00 58.31 56.69 2k3s n LYS 115 Cb 1.00 -1.24 0.09 0.00 -0.65 0.00 0.00 35.03 34.23 2k3s n LYS 115 CO 0.00 0.00 0.00 -2.37 -0.05 0.00 0.00 177.40 174.98 2k3s n THR 116 N 0.46 0.00 0.08 0.58 5.66 -1.25 -4.23 114.28 115.58 2k3s n THR 116 Ca 0.12 -0.50 -0.16 0.00 -3.05 0.00 0.00 64.05 60.47 2k3s n THR 116 Cb 0.66 1.45 -0.14 0.00 -1.55 0.00 0.00 70.33 70.76 2k3s n THR 116 CO 0.00 0.00 0.00 0.11 -3.05 0.00 0.00 175.07 172.13 2k3s h LYS 117 N 4.27 0.24 -6.39 1.09 1.79 -1.87 -3.46 116.57 112.24 2k3s h LYS 117 Ca 0.00 -0.41 -0.46 0.00 -2.18 0.00 0.00 60.65 57.60 2k3s h LYS 117 Cb 0.91 0.15 0.00 0.00 -1.58 0.00 0.00 32.23 31.72 2k3s h LYS 117 CO 0.00 1.14 -0.29 0.15 -1.08 0.00 0.00 179.45 179.37 2k3s s LYS 118 N -2.64 3.34 0.00 3.15 1.02 -1.26 -5.26 119.74 118.09 2k3s s LYS 118 Ca -0.06 -0.63 0.16 0.00 0.02 0.00 0.00 55.97 55.46 2k3s s LYS 118 Cb 0.07 -2.76 0.13 0.00 -0.52 0.00 0.00 37.83 34.75 2k3s s LYS 118 CO 0.86 0.17 1.01 1.63 -0.92 0.00 0.00 175.35 178.11