#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 0.00 -5.73 1.61 0.13 -2.05 -3.41 132.00 122.55 2k3s h PRO 2 Ca 0.00 0.00 -0.69 0.00 -0.87 0.00 0.00 66.00 64.44 2k3s h PRO 2 Cb 0.00 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 31.04 2k3s h PRO 2 CO 0.00 0.00 2.14 1.28 -0.23 0.00 0.00 178.00 181.19 2k3s n LEU 3 N -2.74 4.99 0.00 1.56 4.77 -1.26 -4.74 117.00 119.58 2k3s n LEU 3 Ca 0.04 -3.98 0.00 0.00 -0.03 0.00 0.00 56.01 52.04 2k3s n LEU 3 Cb 0.50 -1.74 0.00 0.00 -2.33 0.00 0.00 43.42 39.85 2k3s n LEU 3 CO 0.34 0.22 0.00 0.61 -1.33 0.00 0.00 177.39 177.23 2k3s n GLY 4 N 5.26 1.25 0.23 -0.72 0.00 -1.26 -4.98 105.19 104.96 2k3s n GLY 4 Ca 0.48 0.52 -0.04 0.00 0.00 0.00 0.00 46.02 46.97 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 0.00 0.56 0.34 1.61 4.64 -1.97 -1.12 113.55 117.62 2k3s h SER 5 Ca 0.00 0.01 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 2k3s h SER 5 Cb 0.00 -0.11 -0.00 0.00 -0.31 0.00 0.00 62.40 61.98 2k3s h SER 5 CO 0.00 0.39 -0.12 0.50 -0.87 0.00 0.00 176.83 176.73 2k3s h LYS 6 N 0.69 0.00 -0.17 4.77 3.64 -1.97 -2.29 116.57 121.23 2k3s h LYS 6 Ca 0.24 0.00 -0.15 0.00 -1.27 0.00 0.00 60.65 59.47 2k3s h LYS 6 Cb 0.04 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.86 2k3s h LYS 6 CO -0.11 0.12 -0.53 -0.91 -2.27 0.00 0.00 179.45 175.75 2k3s h ASN 7 N 0.00 0.55 0.06 4.20 4.21 -1.54 -1.45 115.58 121.61 2k3s h ASN 7 Ca -0.00 -0.29 -0.00 0.00 1.21 0.00 0.00 56.30 57.22 2k3s h ASN 7 Cb 0.32 -0.16 0.00 0.00 -1.12 0.00 0.00 38.32 37.36 2k3s h ASN 7 CO 0.02 0.98 -0.03 -0.03 -1.29 0.00 0.00 177.43 177.07 2k3s h MET 8 N 0.39 -0.08 0.00 0.81 4.05 -1.17 -2.50 114.93 116.43 2k3s h MET 8 Ca 0.01 0.01 -0.11 0.00 -0.28 0.00 0.00 59.70 59.32 2k3s h MET 8 Cb 1.06 0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 31.86 2k3s h MET 8 CO 0.10 0.02 -0.54 -0.07 0.23 0.00 0.00 176.91 176.65 2k3s h LEU 9 N -0.16 0.00 0.61 3.39 3.38 -1.55 -2.64 115.31 118.34 2k3s h LEU 9 Ca -0.01 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 2k3s h LEU 9 Cb 0.14 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.89 2k3s h LEU 9 CO 0.01 0.54 -0.29 0.25 0.09 0.00 0.00 178.44 179.04 2k3s h LEU 10 N 0.00 -0.70 -1.14 1.67 5.85 -1.04 -0.40 115.31 119.56 2k3s h LEU 10 Ca -0.01 0.02 -0.06 0.00 0.84 0.00 0.00 57.88 58.68 2k3s h LEU 10 Cb 0.99 0.18 -0.02 0.00 0.37 0.00 0.00 40.66 42.18 2k3s h LEU 10 CO 0.07 -0.50 -0.02 -0.08 -0.34 0.00 0.00 178.44 177.57 2k3s h GLU 11 N -0.82 0.57 0.05 1.25 4.22 -1.49 0.61 114.58 118.97 2k3s h GLU 11 Ca -0.08 -0.14 -0.00 0.00 0.08 0.00 0.00 59.36 59.22 2k3s h GLU 11 Cb 0.63 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.81 2k3s h GLU 11 CO 0.14 0.61 -0.02 2.35 -2.18 0.00 0.00 179.01 179.91 2k3s h TRP 12 N 0.54 -0.06 -0.12 0.92 7.01 -1.23 -0.06 115.95 122.95 2k3s h TRP 12 Ca 0.11 -0.00 -0.18 0.00 2.11 0.00 0.00 58.89 60.93 2k3s h TRP 12 Cb 0.39 0.02 -0.00 0.00 -2.10 0.00 0.00 29.16 27.46 2k3s h TRP 12 CO 0.01 -0.03 -0.68 0.00 -2.79 0.00 0.00 178.44 174.95 2k3s h ARG 14 N 0.36 0.05 -0.50 0.00 2.43 -0.67 -1.71 114.38 114.35 2k3s h ARG 14 Ca -0.02 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.12 2k3s h ARG 14 Cb 1.26 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.78 2k3s h ARG 14 CO 0.12 0.22 0.25 0.00 -1.51 0.00 0.00 179.97 179.06 2k3s h ALA 15 N 1.78 1.49 0.00 2.80 0.00 -0.90 -1.28 119.26 123.16 2k3s h ALA 15 Ca 0.01 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 2k3s h ALA 15 Cb 0.33 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 2k3s h ALA 15 CO 0.02 0.41 -0.29 0.52 0.00 0.00 0.00 179.25 179.91 2k3s h MET 16 N 0.70 0.00 0.00 0.00 2.86 -1.41 -3.21 114.93 113.87 2k3s h MET 16 Ca 0.18 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.79 2k3s h MET 16 Cb 0.06 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.72 2k3s h MET 16 CO -0.03 0.03 -0.15 1.15 1.06 0.00 0.00 176.91 178.97 2k3s h THR 17 N 0.00 0.50 0.00 2.22 2.02 -0.57 -1.35 112.91 115.73 2k3s h THR 17 Ca -0.00 -0.73 0.00 0.00 0.77 0.00 0.00 66.41 66.45 2k3s h THR 17 Cb 1.02 1.49 0.00 0.00 -1.74 0.00 0.00 68.15 68.93 2k3s h THR 17 CO 0.00 0.14 0.00 0.54 0.37 0.00 0.00 175.52 176.58 2k3s n ARG 18 N -3.49 0.01 -0.45 6.66 1.74 -1.14 -2.40 116.66 117.60 2k3s n ARG 18 Ca -0.01 0.10 0.08 0.00 -0.77 0.00 0.00 57.85 57.25 2k3s n ARG 18 Cb 0.31 -1.52 0.27 0.00 -1.02 0.00 0.00 32.46 30.50 2k3s n ARG 18 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2k3s n ASN 19 N -1.55 4.01 -4.17 0.55 4.13 -0.51 -4.97 115.26 112.75 2k3s n ASN 19 Ca 0.06 -2.54 -0.11 0.00 1.68 0.00 0.00 54.58 53.67 2k3s n ASN 19 Cb 0.28 -0.48 -0.10 0.00 -1.54 0.00 0.00 39.78 37.95 2k3s n ASN 19 CO 0.00 0.00 0.00 -0.31 0.28 0.00 0.00 177.26 177.23 2k3s s TYR 20 N -1.99 0.94 0.18 3.10 2.02 -1.01 -5.12 117.35 115.46 2k3s s TYR 20 Ca 0.40 -1.16 0.07 0.00 -0.37 0.00 0.00 57.07 56.02 2k3s s TYR 20 Cb 0.28 -0.54 -0.04 0.00 -0.40 0.00 0.00 41.96 41.26 2k3s s TYR 20 CO 0.16 -0.41 -0.14 -1.21 -1.57 0.00 0.00 175.55 172.38 2k3s s GLU 21 N -4.00 1.24 0.00 -0.62 2.02 -1.26 -4.71 118.70 111.37 2k3s s GLU 21 Ca 0.22 -1.49 0.00 0.00 0.02 0.00 0.00 54.97 53.72 2k3s s GLU 21 Cb 0.07 -1.04 0.00 0.00 0.10 0.00 0.00 34.13 33.26 2k3s s GLU 21 CO 0.01 0.18 0.00 1.58 0.02 0.00 0.00 175.26 177.05 2k3s n HIS 22 N -0.13 0.00 -4.40 1.61 -0.00 -1.26 -4.95 115.22 106.08 2k3s n HIS 22 Ca -0.10 0.00 -0.22 0.00 0.46 0.00 0.00 57.72 57.85 2k3s n HIS 22 Cb 0.59 -1.04 -0.16 0.00 -0.12 0.00 0.00 29.99 29.26 2k3s n HIS 22 CO 0.00 0.00 0.00 0.08 0.46 0.00 0.00 176.34 176.88 2k3s s VAL 23 N -1.69 0.87 -0.20 3.57 1.01 -1.26 -5.05 120.40 117.65 2k3s s VAL 23 Ca 0.00 -0.32 -0.04 0.00 0.00 0.00 0.00 61.98 61.62 2k3s s VAL 23 Cb 0.00 -0.83 0.09 0.00 0.00 0.00 0.00 36.38 35.64 2k3s s VAL 23 CO 0.00 0.30 0.22 -0.62 0.00 0.00 0.00 175.10 175.00 2k3s s ASP 24 N 0.76 1.30 -0.77 3.32 2.15 -1.26 -4.94 116.67 117.22 2k3s s ASP 24 Ca -0.13 -0.16 -0.19 0.00 0.43 0.00 0.00 52.55 52.49 2k3s s ASP 24 Cb -0.15 0.40 0.11 0.00 -0.30 0.00 0.00 42.92 42.98 2k3s s ASP 24 CO 0.02 -0.32 0.96 -0.63 -0.17 0.00 0.00 175.17 175.03 2k3s s ILE 25 N 2.33 4.70 -0.05 4.11 1.01 -1.26 -4.69 121.20 127.35 2k3s s ILE 25 Ca 0.07 -1.17 -0.06 0.00 0.00 0.00 0.00 60.65 59.48 2k3s s ILE 25 Cb -0.15 -4.67 -0.28 0.00 0.01 0.00 0.00 42.46 37.37 2k3s s ILE 25 CO -0.12 -1.37 0.66 1.56 0.00 0.00 0.00 174.94 175.67 2k3s h GLN 26 N 9.04 0.30 -3.45 2.79 7.50 -1.98 -3.47 115.11 125.85 2k3s h GLN 26 Ca -0.07 -0.52 -0.06 0.00 0.50 0.00 0.00 58.65 58.49 2k3s h GLN 26 Cb 1.05 0.19 -0.14 0.00 0.05 0.00 0.00 27.48 28.64 2k3s h GLN 26 CO 1.10 1.19 -0.15 1.21 -1.50 0.00 0.00 178.83 180.68 2k3s s ASN 27 N -7.08 -0.15 -1.59 1.46 3.84 -1.26 -5.06 114.94 105.10 2k3s s ASN 27 Ca -0.15 -0.36 -0.11 0.00 0.21 0.00 0.00 52.86 52.46 2k3s s ASN 27 Cb 0.06 0.43 -0.06 0.00 -0.55 0.00 0.00 41.25 41.14 2k3s s ASN 27 CO 0.83 -0.79 2.80 0.49 -2.79 0.00 0.00 177.10 177.64 2k3s n PHE 28 N -0.08 2.67 0.00 0.43 3.01 -1.26 -3.63 117.46 118.60 2k3s n PHE 28 Ca -0.16 -3.07 0.00 0.00 1.01 0.00 0.00 57.45 55.23 2k3s n PHE 28 Cb 0.63 -2.50 0.00 0.00 -0.01 0.00 0.00 39.48 37.60 2k3s n PHE 28 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 2k3s n SER 29 N 4.10 0.00 -0.30 4.37 3.41 -1.26 -3.17 113.62 120.76 2k3s n SER 29 Ca 0.73 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 59.34 2k3s n SER 29 Cb 0.27 0.00 0.19 0.00 -0.26 0.00 0.00 64.21 64.40 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 1.00 0.49 4.04 0.02 -1.87 -1.29 113.55 115.94 2k3s h SER 30 Ca 0.00 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 2k3s h SER 30 Cb 0.00 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 62.30 2k3s h SER 30 CO 0.00 0.71 0.00 -1.20 -1.14 0.00 0.00 176.83 175.20 2k3s n SER 31 N -4.42 0.01 -0.80 3.07 7.64 -1.24 -1.85 113.62 116.04 2k3s n SER 31 Ca 0.11 0.50 0.09 0.00 1.01 0.00 0.00 58.87 60.58 2k3s n SER 31 Cb 0.05 -0.51 0.13 0.00 -1.01 0.00 0.00 64.21 62.88 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 -1.51 0.27 0.31 1.43 7.02 -0.49 -4.35 117.44 120.12 2k3s n TRP 32 Ca 0.03 -0.19 0.15 0.00 -1.02 0.00 0.00 57.50 56.47 2k3s n TRP 32 Cb 0.17 -0.01 0.55 0.00 -2.42 0.00 0.00 31.31 29.61 2k3s n TRP 32 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 2k3s h SER 33 N 3.26 0.00 1.41 -0.99 0.87 -1.29 -2.64 113.55 114.19 2k3s h SER 33 Ca 0.00 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.54 2k3s h SER 33 Cb 0.77 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.72 2k3s h SER 33 CO 0.00 0.00 -0.11 0.77 -0.53 0.00 0.00 176.83 176.96 2k3s h SER 34 N 0.00 0.00 0.00 6.23 4.64 -1.77 -3.47 113.55 119.18 2k3s h SER 34 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2k3s h SER 34 Cb 0.57 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.66 2k3s h SER 34 CO 0.00 0.11 0.00 0.61 -0.87 0.00 0.00 176.83 176.68 2k3s n GLY 35 N 0.59 1.13 0.42 -0.77 0.00 -1.00 -4.71 105.19 100.85 2k3s n GLY 35 Ca 0.02 -0.02 0.24 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 -0.93 1.61 2.86 -1.90 -1.05 114.93 115.52 2k3s h MET 36 Ca 0.00 0.00 0.08 0.00 -2.06 0.00 0.00 59.70 57.72 2k3s h MET 36 Cb 0.00 0.00 -0.07 0.00 0.06 0.00 0.00 31.60 31.59 2k3s h MET 36 CO 0.00 0.00 0.58 0.00 1.06 0.00 0.00 176.91 178.55 2k3s h ALA 37 N 1.58 1.32 -0.05 6.32 0.00 -1.86 0.24 119.26 126.81 2k3s h ALA 37 Ca 0.31 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.21 2k3s h ALA 37 Cb 1.34 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.90 2k3s h ALA 37 CO -0.00 0.27 0.00 0.74 0.00 0.00 0.00 179.25 180.26 2k3s h PHE 38 N 1.00 0.10 -0.62 0.00 0.04 -1.55 -2.53 116.94 113.38 2k3s h PHE 38 Ca 0.42 -0.02 -0.04 0.00 2.80 0.00 0.00 57.97 61.14 2k3s h PHE 38 Cb 0.28 -0.03 -0.03 0.00 2.20 0.00 0.00 35.95 38.38 2k3s h PHE 38 CO -0.02 0.36 0.21 0.00 -0.60 0.00 0.00 178.31 178.26 2k3s h ALA 40 N 1.33 0.69 -0.13 0.00 0.00 -0.45 0.21 119.26 120.92 2k3s h ALA 40 Ca 0.21 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 2k3s h ALA 40 Cb 0.23 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 2k3s h ALA 40 CO -0.01 0.15 0.00 1.25 0.00 0.00 0.00 179.25 180.64 2k3s h LEU 41 N 0.74 0.22 -0.73 0.00 5.85 -1.12 -2.08 115.31 118.18 2k3s h LEU 41 Ca 0.20 -0.31 -0.03 0.00 0.84 0.00 0.00 57.88 58.58 2k3s h LEU 41 Cb -0.06 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 40.88 2k3s h LEU 41 CO -0.04 0.47 0.34 0.40 -0.34 0.00 0.00 178.44 179.28 2k3s h ILE 42 N -0.04 1.24 0.00 4.05 1.08 -1.10 -2.30 117.51 120.44 2k3s h ILE 42 Ca 0.04 -0.69 -0.04 0.00 -0.39 0.00 0.00 64.86 63.77 2k3s h ILE 42 Cb 0.36 0.34 -0.01 0.00 -3.07 0.00 0.00 36.82 34.44 2k3s h ILE 42 CO 0.01 0.29 -0.21 -0.74 -0.69 0.00 0.00 178.15 176.81 2k3s h HIS 43 N 1.03 0.00 -0.24 1.37 2.76 -0.52 0.27 115.15 119.82 2k3s h HIS 43 Ca 0.25 0.00 -0.11 0.00 -2.20 0.00 0.00 60.37 58.31 2k3s h HIS 43 Cb 0.14 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.08 2k3s h HIS 43 CO 0.01 0.21 -0.30 -0.22 -1.30 0.00 0.00 177.93 176.32 2k3s h LYS 44 N 0.00 0.49 0.08 5.26 3.11 -0.79 -3.11 116.57 121.62 2k3s h LYS 44 Ca -0.00 -0.21 -0.34 0.00 -2.81 0.00 0.00 60.65 57.29 2k3s h LYS 44 Cb 0.38 -0.02 -0.03 0.00 -1.00 0.00 0.00 32.23 31.57 2k3s h LYS 44 CO 0.03 0.75 -1.88 0.74 -2.81 0.00 0.00 179.45 176.27 2k3s h PHE 45 N 0.43 0.33 -3.42 1.91 0.04 -1.30 -3.43 116.94 111.49 2k3s h PHE 45 Ca 0.05 -0.24 -0.64 0.00 2.80 0.00 0.00 57.97 59.94 2k3s h PHE 45 Cb 0.75 -0.01 -0.41 0.00 2.20 0.00 0.00 35.95 38.48 2k3s h PHE 45 CO 0.03 1.51 -0.65 -0.06 -0.60 0.00 0.00 178.31 178.54 2k3s s PHE 46 N -2.57 3.24 0.33 -0.55 0.08 0.89 -4.94 117.98 114.45 2k3s s PHE 46 Ca -0.16 -3.13 0.20 0.00 0.12 0.00 0.00 56.93 53.97 2k3s s PHE 46 Cb 0.07 -2.81 1.01 0.00 -0.57 0.00 0.00 43.02 40.72 2k3s s PHE 46 CO 0.79 -0.78 1.90 -1.35 -0.10 0.00 0.00 175.22 175.69 2k3s h PRO 47 N 6.69 0.00 -0.28 0.24 0.11 -1.80 -2.43 132.00 134.53 2k3s h PRO 47 Ca -0.07 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.04 2k3s h PRO 47 Cb 0.91 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.02 2k3s h PRO 47 CO 0.66 0.26 0.00 0.39 -0.21 0.00 0.00 178.00 179.09 2k3s n GLU 48 N -3.76 1.76 0.06 1.05 -0.58 -1.26 -4.18 120.64 113.73 2k3s n GLU 48 Ca -0.01 -1.18 -0.09 0.00 -0.42 0.00 0.00 57.16 55.46 2k3s n GLU 48 Cb 0.36 -1.31 -0.06 0.00 -0.57 0.00 0.00 31.44 29.85 2k3s n GLU 48 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2k3s h ALA 49 N 3.77 -0.24 -2.63 0.62 0.00 -1.80 -3.49 119.26 115.49 2k3s h ALA 49 Ca 0.00 -0.20 0.12 0.00 0.00 0.00 0.00 54.91 54.83 2k3s h ALA 49 Cb 0.46 0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.29 2k3s h ALA 49 CO 0.00 -0.29 0.40 -0.59 0.00 0.00 0.00 179.25 178.78 2k3s s PHE 50 N -3.11 -0.08 -0.44 0.00 -0.12 -1.26 -5.10 117.98 107.87 2k3s s PHE 50 Ca -0.11 -0.33 -0.17 0.00 -0.05 0.00 0.00 56.93 56.27 2k3s s PHE 50 Cb 0.00 0.69 0.03 0.00 -0.63 0.00 0.00 43.02 43.12 2k3s s PHE 50 CO 0.39 -1.05 0.45 0.34 -0.05 0.00 0.00 175.22 175.30 2k3s s ASP 51 N -3.02 6.19 0.36 1.98 -1.08 -1.26 -4.93 116.67 114.91 2k3s s ASP 51 Ca 0.14 -0.80 0.10 0.00 -0.52 0.00 0.00 52.55 51.47 2k3s s ASP 51 Cb -0.03 -2.23 0.70 0.00 -1.46 0.00 0.00 42.92 39.90 2k3s s ASP 51 CO 0.05 -0.63 1.84 0.22 0.52 0.00 0.00 175.17 177.18 2k3s h TYR 52 N 8.77 0.18 0.00 -5.34 3.20 -1.95 -2.25 116.97 119.58 2k3s h TYR 52 Ca -0.27 -0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.57 2k3s h TYR 52 Cb 1.11 -0.05 0.00 0.00 1.54 0.00 0.00 36.73 39.33 2k3s h TYR 52 CO 0.64 0.42 0.00 0.00 -1.64 0.00 0.00 178.16 177.58 2k3s h ALA 53 N 1.58 1.00 -0.01 1.82 0.00 -2.03 -2.21 119.26 119.41 2k3s h ALA 53 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2k3s h ALA 53 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.34 2k3s h ALA 53 CO 0.04 0.00 -0.28 -1.91 0.00 0.00 0.00 179.25 177.10 2k3s n GLU 54 N -2.88 0.94 -3.08 0.00 2.13 -0.85 -4.89 120.64 112.00 2k3s n GLU 54 Ca 0.01 -0.60 -0.39 0.00 0.66 0.00 0.00 57.16 56.85 2k3s n GLU 54 Cb 0.32 -1.49 -0.05 0.00 0.27 0.00 0.00 31.44 30.49 2k3s n GLU 54 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 2k3s s LEU 55 N -2.47 4.42 0.05 4.31 1.43 -0.83 -5.07 118.68 120.51 2k3s s LEU 55 Ca 0.24 1.30 0.05 0.00 -1.03 0.00 0.00 54.13 54.69 2k3s s LEU 55 Cb 0.19 -3.08 -0.04 0.00 0.03 0.00 0.00 46.19 43.29 2k3s s LEU 55 CO 0.52 0.04 -0.07 -1.81 0.23 0.00 0.00 176.35 175.25 2k3s s ASP 56 N -0.01 4.59 0.59 2.29 1.01 -1.26 -5.00 116.67 118.87 2k3s s ASP 56 Ca 0.35 -0.23 0.38 0.00 0.71 0.00 0.00 52.55 53.76 2k3s s ASP 56 Cb -0.19 -1.01 1.87 0.00 1.01 0.00 0.00 42.92 44.60 2k3s s ASP 56 CO 0.20 0.23 2.16 1.55 0.21 0.00 0.00 175.17 179.52 2k3s h PRO 57 N 4.07 0.00 -0.00 8.23 0.13 -1.97 -0.48 132.00 141.98 2k3s h PRO 57 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2k3s h PRO 57 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 2k3s h PRO 57 CO 0.54 0.00 -0.18 0.00 -0.23 0.00 0.00 178.00 178.13 2k3s n ALA 58 N -2.06 2.76 -0.69 -0.56 0.00 -1.26 -3.40 120.51 115.30 2k3s n ALA 58 Ca -0.01 -0.19 -0.11 0.00 0.00 0.00 0.00 53.44 53.13 2k3s n ALA 58 Cb 0.18 -1.35 0.20 0.00 0.00 0.00 0.00 19.45 18.48 2k3s n ALA 58 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2k3s n LYS 59 N -1.50 2.66 -0.08 0.00 5.02 -0.19 -4.54 118.16 119.54 2k3s n LYS 59 Ca 0.07 -2.43 0.15 0.00 -2.02 0.00 0.00 58.31 54.08 2k3s n LYS 59 Cb 0.34 -1.99 0.56 0.00 -0.02 0.00 0.00 35.03 33.91 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 1.54 0.28 -0.65 1.97 3.08 -1.70 0.39 114.38 119.29 2k3s h ARG 60 Ca 0.35 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.37 2k3s h ARG 60 Cb 2.24 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 32.20 2k3s h ARG 60 CO 0.73 0.18 0.34 -0.09 -1.07 0.00 0.00 179.97 180.06 2k3s h ARG 61 N 0.28 0.91 0.00 0.04 1.12 -1.91 -2.68 114.38 112.14 2k3s h ARG 61 Ca 0.29 -0.10 -0.10 0.00 -1.11 0.00 0.00 59.98 58.96 2k3s h ARG 61 Cb 0.76 -0.18 -0.02 0.00 -0.01 0.00 0.00 29.97 30.52 2k3s h ARG 61 CO -0.07 0.68 -1.68 0.72 -3.11 0.00 0.00 179.97 176.52 2k3s n HIS 62 N -4.36 0.49 0.11 2.20 8.25 -0.43 -4.24 115.22 117.24 2k3s n HIS 62 Ca 0.06 0.15 -0.13 0.00 -0.26 0.00 0.00 57.72 57.55 2k3s n HIS 62 Cb 0.11 -0.84 -0.06 0.00 1.12 0.00 0.00 29.99 30.32 2k3s n HIS 62 CO 0.00 0.00 0.00 -0.97 0.64 0.00 0.00 176.34 176.01 2k3s h ASN 63 N 0.00 -0.58 -0.45 0.41 -0.73 0.05 0.23 115.58 114.51 2k3s h ASN 63 Ca -0.13 0.07 -0.00 0.00 1.87 0.00 0.00 56.30 58.10 2k3s h ASN 63 Cb 1.35 0.22 -0.02 0.00 0.27 0.00 0.00 38.32 40.13 2k3s h ASN 63 CO 0.02 -0.29 0.27 -0.26 -0.37 0.00 0.00 177.43 176.80 2k3s h PHE 64 N -0.40 0.59 -0.69 0.67 0.04 -1.72 -0.66 116.94 114.77 2k3s h PHE 64 Ca 0.02 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.77 2k3s h PHE 64 Cb 0.41 -0.19 -0.03 0.00 2.20 0.00 0.00 35.95 38.34 2k3s h PHE 64 CO -0.19 0.41 0.36 1.15 -0.60 0.00 0.00 178.31 179.43 2k3s h THR 65 N 0.60 1.22 -0.24 -1.55 2.02 -1.68 -0.41 112.91 112.87 2k3s h THR 65 Ca 0.16 -0.59 -0.01 0.00 0.77 0.00 0.00 66.41 66.74 2k3s h THR 65 Cb -0.01 0.35 -0.01 0.00 -1.74 0.00 0.00 68.15 66.73 2k3s h THR 65 CO -0.03 0.25 0.11 0.25 0.37 0.00 0.00 175.52 176.47 2k3s h LEU 66 N 0.95 0.32 0.41 2.58 5.85 -0.20 0.09 115.31 125.32 2k3s h LEU 66 Ca 0.24 -0.13 -0.02 0.00 0.84 0.00 0.00 57.88 58.81 2k3s h LEU 66 Cb 0.08 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.03 2k3s h LEU 66 CO -0.03 0.37 -0.20 0.00 -0.34 0.00 0.00 178.44 178.24 2k3s h ALA 67 N 0.97 -0.55 0.41 1.25 0.00 -0.88 -1.60 119.26 118.86 2k3s h ALA 67 Ca 0.08 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 2k3s h ALA 67 Cb 0.13 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.14 2k3s h ALA 67 CO -0.01 -0.75 -0.20 0.74 0.00 0.00 0.00 179.25 179.03 2k3s h PHE 68 N -0.67 -0.51 -0.48 0.00 0.04 -1.07 -1.33 116.94 112.91 2k3s h PHE 68 Ca -0.06 -0.01 0.02 0.00 2.80 0.00 0.00 57.97 60.72 2k3s h PHE 68 Cb 0.49 0.17 -0.03 0.00 2.20 0.00 0.00 35.95 38.78 2k3s h PHE 68 CO -0.02 -0.30 0.30 0.77 -0.60 0.00 0.00 178.31 178.46 2k3s h SER 69 N -0.59 0.49 -0.59 2.17 0.02 -1.04 -0.18 113.55 113.84 2k3s h SER 69 Ca -0.06 -0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 60.80 2k3s h SER 69 Cb 0.44 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 62.86 2k3s h SER 69 CO 0.09 0.35 -0.01 0.74 -1.14 0.00 0.00 176.83 176.86 2k3s h THR 70 N 0.60 1.26 -0.34 -2.27 2.02 -1.26 0.20 112.91 113.12 2k3s h THR 70 Ca 0.19 -1.16 -0.10 0.00 0.77 0.00 0.00 66.41 66.12 2k3s h THR 70 Cb -0.01 0.81 -0.02 0.00 -1.74 0.00 0.00 68.15 67.20 2k3s h THR 70 CO -0.07 0.42 -0.19 0.00 0.37 0.00 0.00 175.52 176.05 2k3s h ALA 71 N 1.01 1.04 0.00 6.16 0.00 -0.94 0.29 119.26 126.82 2k3s h ALA 71 Ca 0.17 -0.33 -0.11 0.00 0.00 0.00 0.00 54.91 54.64 2k3s h ALA 71 Cb 0.57 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 2k3s h ALA 71 CO 0.03 0.58 -0.51 1.49 0.00 0.00 0.00 179.25 180.84 2k3s h GLU 72 N 0.56 0.00 0.20 0.00 4.22 -0.74 0.14 114.58 118.96 2k3s h GLU 72 Ca 0.09 0.00 -0.31 0.00 0.08 0.00 0.00 59.36 59.22 2k3s h GLU 72 Cb 0.63 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.91 2k3s h GLU 72 CO 0.04 0.51 -1.37 -0.22 -2.18 0.00 0.00 179.01 175.79 2k3s h LYS 73 N 0.00 0.44 0.00 1.92 3.64 -0.15 -2.38 116.57 120.03 2k3s h LYS 73 Ca -0.01 -0.74 0.00 0.00 -1.27 0.00 0.00 60.65 58.64 2k3s h LYS 73 Cb 1.30 0.27 0.00 0.00 -0.41 0.00 0.00 32.23 33.40 2k3s h LYS 73 CO 0.07 1.35 -1.65 1.28 -2.27 0.00 0.00 179.45 178.23 2k3s n LEU 74 N -3.65 0.12 -0.06 5.20 4.77 0.05 -4.62 117.00 118.82 2k3s n LEU 74 Ca -0.13 -0.08 0.00 0.00 -0.03 0.00 0.00 56.01 55.78 2k3s n LEU 74 Cb 1.07 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 42.16 2k3s n LEU 74 CO 0.58 0.03 0.33 0.00 -1.33 0.00 0.00 177.39 177.00 2k3s n ALA 75 N -2.00 1.42 -4.31 -1.18 0.00 0.42 -5.03 120.51 109.84 2k3s n ALA 75 Ca -0.02 -0.78 -0.35 0.00 0.00 0.00 0.00 53.44 52.29 2k3s n ALA 75 Cb 0.43 -0.07 -0.07 0.00 0.00 0.00 0.00 19.45 19.74 2k3s n ALA 75 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2k3s n ASP 76 N -0.19 -0.89 -4.77 0.00 5.75 -0.86 -4.86 116.55 110.72 2k3s n ASP 76 Ca 0.01 -1.17 -0.40 0.00 -0.01 0.00 0.00 54.79 53.21 2k3s n ASP 76 Cb 0.47 -2.07 -0.02 0.00 -1.03 0.00 0.00 41.12 38.47 2k3s n ASP 76 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2k3s s ALA 78 N -1.19 3.54 -1.23 0.00 0.00 -1.26 -4.55 121.76 117.07 2k3s s ALA 78 Ca 0.50 0.69 -0.20 0.00 0.00 0.00 0.00 51.96 52.95 2k3s s ALA 78 Cb -0.38 -3.74 0.03 0.00 0.00 0.00 0.00 23.12 19.03 2k3s s ALA 78 CO 0.50 -1.48 1.77 -0.65 0.00 0.00 0.00 175.76 175.90 2k3s s GLN 79 N 4.06 3.54 0.26 0.00 -0.21 -1.26 -4.66 119.66 121.39 2k3s s GLN 79 Ca 0.68 -1.67 0.23 0.00 0.02 0.00 0.00 55.36 54.62 2k3s s GLN 79 Cb -0.28 -5.44 0.23 0.00 1.00 0.00 0.00 33.01 28.52 2k3s s GLN 79 CO 0.25 -2.71 1.32 -0.07 -2.12 0.00 0.00 175.29 171.96 2k3s h LEU 80 N 14.02 0.00 -9.50 2.90 3.38 -1.97 -3.46 115.31 120.68 2k3s h LEU 80 Ca 0.36 -0.04 -0.57 0.00 0.09 0.00 0.00 57.88 57.72 2k3s h LEU 80 Cb 0.90 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.55 2k3s h LEU 80 CO 1.39 0.02 -0.66 -0.76 0.09 0.00 0.00 178.44 178.52 2k3s s LEU 81 N -5.33 3.06 0.14 1.67 1.43 -1.26 -5.11 118.68 113.27 2k3s s LEU 81 Ca 0.04 -0.76 0.08 0.00 -1.03 0.00 0.00 54.13 52.46 2k3s s LEU 81 Cb 0.09 -1.56 -0.04 0.00 0.03 0.00 0.00 46.19 44.71 2k3s s LEU 81 CO 0.73 -0.02 -0.18 -1.61 0.23 0.00 0.00 176.35 175.49 2k3s s GLU 82 N -3.65 1.20 0.01 1.70 2.02 -1.26 -5.06 118.70 113.65 2k3s s GLU 82 Ca 0.32 -1.32 -0.25 0.00 0.02 0.00 0.00 54.97 53.73 2k3s s GLU 82 Cb -0.05 -1.27 -0.17 0.00 0.10 0.00 0.00 34.13 32.73 2k3s s GLU 82 CO 0.19 0.26 1.32 0.28 0.02 0.00 0.00 175.26 177.33 2k3s h VAL 83 N 3.48 0.93 -0.51 2.63 2.07 -1.97 -1.47 116.25 121.41 2k3s h VAL 83 Ca -0.43 -0.67 0.02 0.00 0.82 0.00 0.00 66.70 66.44 2k3s h VAL 83 Cb 1.20 1.32 -0.03 0.00 -1.52 0.00 0.00 31.29 32.26 2k3s h VAL 83 CO 0.48 0.15 0.32 0.44 0.02 0.00 0.00 177.57 178.98 2k3s h ASP 84 N -0.58 0.54 0.01 0.57 3.32 -1.97 -1.36 116.42 116.95 2k3s h ASP 84 Ca -0.02 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.02 2k3s h ASP 84 Cb 0.43 -0.12 -0.00 0.00 0.22 0.00 0.00 39.33 39.86 2k3s h ASP 84 CO 0.04 0.38 -0.03 -0.78 -1.72 0.00 0.00 179.24 177.14 2k3s h ASP 85 N 0.65 -0.07 -0.60 6.45 3.58 -1.98 -0.46 116.42 123.98 2k3s h ASP 85 Ca 0.20 0.01 -0.04 0.00 0.42 0.00 0.00 57.03 57.62 2k3s h ASP 85 Cb -0.02 0.03 -0.03 0.00 1.72 0.00 0.00 39.33 41.03 2k3s h ASP 85 CO -0.07 -0.04 0.23 0.24 -2.88 0.00 0.00 179.24 176.72 2k3s h MET 86 N -0.05 0.91 -0.35 0.28 2.86 -1.04 -0.92 114.93 116.61 2k3s h MET 86 Ca 0.01 -0.17 -0.09 0.00 -2.06 0.00 0.00 59.70 57.38 2k3s h MET 86 Cb 0.06 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 31.57 2k3s h MET 86 CO -0.02 0.78 -0.15 0.28 1.06 0.00 0.00 176.91 178.86 2k3s h VAL 87 N 0.84 1.28 -0.66 -2.22 2.07 -1.16 0.26 116.25 116.66 2k3s h VAL 87 Ca 0.20 -1.26 -0.06 0.00 0.82 0.00 0.00 66.70 66.40 2k3s h VAL 87 Cb 0.21 1.36 -0.03 0.00 -1.52 0.00 0.00 31.29 31.31 2k3s h VAL 87 CO -0.02 0.41 0.17 -0.09 0.02 0.00 0.00 177.57 178.06 2k3s h ARG 88 N 0.50 1.05 0.00 1.57 2.43 -0.94 -3.05 114.38 115.95 2k3s h ARG 88 Ca 0.08 -0.25 -0.24 0.00 -0.81 0.00 0.00 59.98 58.77 2k3s h ARG 88 Cb 0.68 -0.14 -0.04 0.00 -0.42 0.00 0.00 29.97 30.06 2k3s h ARG 88 CO 0.05 0.94 -1.22 -0.07 -1.51 0.00 0.00 179.97 178.16 2k3s h LEU 89 N 0.98 0.01 0.00 3.80 3.38 -1.15 -3.48 115.31 118.85 2k3s h LEU 89 Ca 0.21 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.17 2k3s h LEU 89 Cb 0.36 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.10 2k3s h LEU 89 CO 0.00 1.01 0.00 0.00 0.09 0.00 0.00 178.44 179.54 2k3s n ALA 90 N -2.41 0.00 -3.30 1.53 0.00 0.89 -4.78 120.51 112.44 2k3s n ALA 90 Ca -0.05 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.01 2k3s n ALA 90 Cb 0.97 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 20.30 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 3.67 0.61 0.00 1.01 -1.26 -4.28 120.40 120.15 2k3s s VAL 91 Ca 0.00 -1.19 -0.10 0.00 0.00 0.00 0.00 61.98 60.69 2k3s s VAL 91 Cb 0.00 -3.09 -0.03 0.00 0.00 0.00 0.00 36.38 33.26 2k3s s VAL 91 CO 0.00 -0.18 1.00 -2.16 0.00 0.00 0.00 175.10 173.76 2k3s s PRO 92 N 1.38 3.46 0.26 2.72 0.04 -1.26 -5.03 135.00 136.56 2k3s s PRO 92 Ca -0.02 0.61 -0.30 0.00 0.04 0.00 0.00 61.00 61.33 2k3s s PRO 92 Cb -0.20 -2.12 -0.09 0.00 0.04 0.00 0.00 34.50 32.14 2k3s s PRO 92 CO 0.02 -0.60 1.01 0.34 0.04 0.00 0.00 177.00 177.81 2k3s s ASP 93 N -4.20 7.48 0.46 6.66 -1.08 -1.26 -4.52 116.67 120.21 2k3s s ASP 93 Ca 0.54 2.09 0.13 0.00 -0.52 0.00 0.00 52.55 54.79 2k3s s ASP 93 Cb -0.11 -2.62 1.04 0.00 -1.46 0.00 0.00 42.92 39.78 2k3s s ASP 93 CO 0.52 0.03 2.06 0.28 0.52 0.00 0.00 175.17 178.57 2k3s h SER 94 N 3.99 0.14 -0.24 -0.34 0.02 -1.95 -1.89 113.55 113.28 2k3s h SER 94 Ca -0.46 -0.01 -0.16 0.00 -0.84 0.00 0.00 61.79 60.32 2k3s h SER 94 Cb 1.20 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 63.70 2k3s h SER 94 CO 0.67 0.18 -0.43 0.50 -1.14 0.00 0.00 176.83 176.61 2k3s h LYS 95 N 0.16 0.80 -0.32 3.45 3.64 -1.92 0.11 116.57 122.49 2k3s h LYS 95 Ca 0.04 -0.44 -0.06 0.00 -1.27 0.00 0.00 60.65 58.93 2k3s h LYS 95 Cb 0.12 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.95 2k3s h LYS 95 CO 0.00 1.07 -0.02 0.00 -2.27 0.00 0.00 179.45 178.23 2k3s h VAL 97 N 0.37 1.25 -0.16 0.00 2.07 -1.29 -1.84 116.25 116.66 2k3s h VAL 97 Ca 0.09 -0.95 0.03 0.00 0.82 0.00 0.00 66.70 66.69 2k3s h VAL 97 Cb 0.47 1.17 -0.03 0.00 -1.52 0.00 0.00 31.29 31.38 2k3s h VAL 97 CO 0.02 0.32 -0.03 0.22 0.02 0.00 0.00 177.57 178.11 2k3s h TYR 98 N 0.44 -0.07 -0.75 1.57 3.20 -0.69 -0.37 116.97 120.30 2k3s h TYR 98 Ca 0.10 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.97 2k3s h TYR 98 Cb 0.44 0.06 -0.04 0.00 1.54 0.00 0.00 36.73 38.73 2k3s h TYR 98 CO 0.03 -0.06 0.39 1.15 -1.64 0.00 0.00 178.16 178.03 2k3s h THR 99 N 0.01 1.23 -0.09 1.81 2.02 -1.17 0.43 112.91 117.15 2k3s h THR 99 Ca 0.08 -0.61 -0.00 0.00 0.77 0.00 0.00 66.41 66.64 2k3s h THR 99 Cb 0.11 0.24 -0.00 0.00 -1.74 0.00 0.00 68.15 66.76 2k3s h THR 99 CO -0.16 0.27 0.04 0.22 0.37 0.00 0.00 175.52 176.25 2k3s h TYR 100 N 1.06 0.13 -0.09 3.16 5.03 -0.74 -2.28 116.97 123.25 2k3s h TYR 100 Ca 0.26 -0.01 -0.12 0.00 2.58 0.00 0.00 58.73 61.45 2k3s h TYR 100 Cb 0.07 -0.04 -0.01 0.00 1.55 0.00 0.00 36.73 38.29 2k3s h TYR 100 CO 0.01 0.24 -0.47 0.82 -1.32 0.00 0.00 178.16 177.44 2k3s h ILE 101 N -0.01 1.33 0.49 1.81 1.08 -0.80 -2.39 117.51 119.01 2k3s h ILE 101 Ca 0.03 -1.65 -0.02 0.00 -0.39 0.00 0.00 64.86 62.83 2k3s h ILE 101 Cb 0.16 1.79 -0.01 0.00 -3.07 0.00 0.00 36.82 35.69 2k3s h ILE 101 CO -0.00 0.49 -0.41 -0.61 -0.69 0.00 0.00 178.15 176.93 2k3s h GLN 102 N 0.17 -0.84 -0.33 2.37 4.15 0.16 0.38 115.11 121.16 2k3s h GLN 102 Ca 0.01 0.06 -0.05 0.00 0.77 0.00 0.00 58.65 59.44 2k3s h GLN 102 Cb 0.89 0.19 -0.02 0.00 0.21 0.00 0.00 27.48 28.76 2k3s h GLN 102 CO 0.07 -0.56 -0.01 0.93 -1.93 0.00 0.00 178.83 177.33 2k3s h GLU 103 N -0.88 0.51 -0.08 1.69 3.07 -1.46 -1.72 114.58 115.70 2k3s h GLU 103 Ca -0.06 -0.11 -0.00 0.00 -0.50 0.00 0.00 59.36 58.69 2k3s h GLU 103 Cb 0.74 -0.07 -0.00 0.00 -0.84 0.00 0.00 28.75 28.57 2k3s h GLU 103 CO -0.01 0.54 0.04 1.25 -1.40 0.00 0.00 179.01 179.43 2k3s h LEU 104 N 0.49 0.11 -0.13 1.33 5.85 -1.16 -0.47 115.31 121.32 2k3s h LEU 104 Ca 0.10 -0.13 0.03 0.00 0.84 0.00 0.00 57.88 58.73 2k3s h LEU 104 Cb 0.33 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.30 2k3s h LEU 104 CO 0.01 0.21 -0.06 0.22 -0.34 0.00 0.00 178.44 178.47 2k3s h TYR 105 N 0.00 -0.15 -0.65 1.25 3.20 0.13 -0.04 116.97 120.70 2k3s h TYR 105 Ca 0.03 0.01 0.05 0.00 3.14 0.00 0.00 58.73 61.96 2k3s h TYR 105 Cb 0.13 0.09 -0.05 0.00 1.54 0.00 0.00 36.73 38.43 2k3s h TYR 105 CO -0.03 -0.10 0.37 0.00 -1.64 0.00 0.00 178.16 176.76 2k3s h ARG 106 N -0.05 0.68 -0.49 1.82 3.08 -1.19 0.29 114.38 118.51 2k3s h ARG 106 Ca 0.07 -0.04 -0.05 0.00 0.07 0.00 0.00 59.98 60.03 2k3s h ARG 106 Cb 0.16 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.04 2k3s h ARG 106 CO -0.16 0.45 0.09 0.77 -1.07 0.00 0.00 179.97 180.04 2k3s h SER 107 N 0.70 0.70 -0.12 7.04 0.02 -0.54 -0.59 113.55 120.76 2k3s h SER 107 Ca 0.29 -0.13 -0.20 0.00 -0.84 0.00 0.00 61.79 60.91 2k3s h SER 107 Cb 0.15 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 62.51 2k3s h SER 107 CO -0.16 0.71 -0.68 -0.07 -1.14 0.00 0.00 176.83 175.49 2k3s h LEU 108 N 0.72 0.86 -0.26 5.07 3.38 -0.07 -2.83 115.31 122.18 2k3s h LEU 108 Ca 0.16 -0.52 -0.13 0.00 0.09 0.00 0.00 57.88 57.47 2k3s h LEU 108 Cb 0.31 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 2k3s h LEU 108 CO 0.00 1.31 -0.36 0.58 0.09 0.00 0.00 178.44 180.06 2k3s h VAL 109 N 0.53 1.31 0.00 1.22 2.07 -0.70 0.35 116.25 121.02 2k3s h VAL 109 Ca -0.02 -1.55 0.00 0.00 0.82 0.00 0.00 66.70 65.95 2k3s h VAL 109 Cb 1.29 1.67 0.00 0.00 -1.52 0.00 0.00 31.29 32.73 2k3s h VAL 109 CO 0.14 0.49 0.00 0.06 0.02 0.00 0.00 177.57 178.28 2k3s h GLN 110 N 0.44 0.00 -0.62 1.57 3.07 -1.16 -0.78 115.11 117.62 2k3s h GLN 110 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.77 2k3s h GLN 110 Cb 0.94 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.50 2k3s h GLN 110 CO 0.08 0.00 0.00 1.63 0.09 0.00 0.00 178.83 180.63 2k3s n LYS 111 N -2.92 2.64 -3.21 0.06 5.02 -1.07 -4.96 118.16 113.72 2k3s n LYS 111 Ca -0.00 -2.52 -0.16 0.00 -2.02 0.00 0.00 58.31 53.60 2k3s n LYS 111 Cb 0.22 -1.55 0.06 0.00 -0.02 0.00 0.00 35.03 33.73 2k3s n LYS 111 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2k3s n GLY 112 N 1.62 -0.09 0.33 0.72 0.00 -0.30 -4.96 105.19 102.50 2k3s n GLY 112 Ca 0.23 -0.04 -0.22 0.00 0.00 0.00 0.00 46.02 45.99 2k3s n GLY 112 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2k3s n LEU 113 N -3.55 1.60 0.18 0.99 4.77 0.12 -4.59 117.00 116.52 2k3s n LEU 113 Ca -0.03 0.23 0.03 0.00 -0.03 0.00 0.00 56.01 56.22 2k3s n LEU 113 Cb 0.55 -0.63 0.33 0.00 -2.33 0.00 0.00 43.42 41.34 2k3s n LEU 113 CO 0.45 0.47 0.67 0.58 -1.33 0.00 0.00 177.39 178.22 2k3s h VAL 114 N -0.71 1.16 0.00 4.08 2.07 -1.84 -3.28 116.25 117.73 2k3s h VAL 114 Ca -0.53 -1.52 -0.50 0.00 0.82 0.00 0.00 66.70 64.97 2k3s h VAL 114 Cb 1.49 1.85 -0.00 0.00 -1.52 0.00 0.00 31.29 33.11 2k3s h VAL 114 CO -0.31 0.41 2.44 1.17 0.02 0.00 0.00 177.57 181.30 2k3s n LYS 115 N -3.83 3.07 0.00 1.57 4.81 -1.26 -4.31 118.16 118.21 2k3s n LYS 115 Ca -0.01 -1.77 0.12 0.00 -0.87 0.00 0.00 58.31 55.78 2k3s n LYS 115 Cb 0.48 -2.52 0.25 0.00 0.02 0.00 0.00 35.03 33.26 2k3s n LYS 115 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 2k3s n THR 116 N 3.26 0.00 -3.85 3.15 -2.24 -1.24 -4.74 114.28 108.63 2k3s n THR 116 Ca 0.65 -0.19 -0.30 0.00 -2.27 0.00 0.00 64.05 61.94 2k3s n THR 116 Cb 0.44 0.73 -0.16 0.00 -2.10 0.00 0.00 70.33 69.24 2k3s n THR 116 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 2k3s s LYS 117 N -2.44 1.14 -0.39 -0.78 2.20 -1.26 -5.09 119.74 113.12 2k3s s LYS 117 Ca 0.24 -0.99 -0.08 0.00 -0.36 0.00 0.00 55.97 54.78 2k3s s LYS 117 Cb 0.19 -2.38 0.07 0.00 -1.51 0.00 0.00 37.83 34.20 2k3s s LYS 117 CO 0.52 -0.76 0.21 0.21 -0.36 0.00 0.00 175.35 175.17 2k3s s LYS 118 N 1.51 2.58 0.00 4.03 2.20 -1.26 -5.21 119.74 123.59 2k3s s LYS 118 Ca 0.01 -1.39 0.00 0.00 -0.36 0.00 0.00 55.97 54.24 2k3s s LYS 118 Cb -0.18 -3.68 0.00 0.00 -1.51 0.00 0.00 37.83 32.46 2k3s s LYS 118 CO -0.12 -0.87 0.00 1.17 -0.36 0.00 0.00 175.35 175.17