#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k3s s PRO 2 N 0.00 2.37 -1.25 1.61 0.02 -1.26 -4.88 135.00 131.61 2k3s s PRO 2 Ca 0.00 -0.32 -0.16 0.00 0.02 0.00 0.00 61.00 60.54 2k3s s PRO 2 Cb 0.00 -5.05 0.12 0.00 0.02 0.00 0.00 34.50 29.59 2k3s s PRO 2 CO 0.00 -3.69 1.58 -0.48 -0.33 0.00 0.00 177.00 174.08 2k3s s LEU 3 N 11.11 4.46 0.00 -5.54 0.05 -1.26 -4.59 118.68 122.91 2k3s s LEU 3 Ca 0.73 -2.72 0.00 0.00 0.05 0.00 0.00 54.13 52.19 2k3s s LEU 3 Cb -0.07 -2.49 0.00 0.00 -2.05 0.00 0.00 46.19 41.59 2k3s s LEU 3 CO 0.03 -0.95 0.00 0.61 -0.55 0.00 0.00 176.35 175.49 2k3s n GLY 4 N 4.75 -1.88 0.28 -3.48 0.00 -1.26 -5.01 105.19 98.59 2k3s n GLY 4 Ca 0.43 0.88 0.15 0.00 0.00 0.00 0.00 46.02 47.47 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 0.00 -0.18 1.61 4.64 -2.03 -1.76 113.55 115.83 2k3s h SER 5 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 2k3s h SER 5 Cb 0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 2k3s h SER 5 CO 0.00 0.07 0.08 0.50 -0.87 0.00 0.00 176.83 176.61 2k3s h LYS 6 N 0.00 0.32 0.00 4.77 3.64 -1.98 -1.67 116.57 121.65 2k3s h LYS 6 Ca -0.00 -0.03 -0.08 0.00 -1.27 0.00 0.00 60.65 59.27 2k3s h LYS 6 Cb 0.21 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.96 2k3s h LYS 6 CO 0.01 0.28 -0.37 -0.97 -2.27 0.00 0.00 179.45 176.13 2k3s h ASN 7 N 0.32 0.00 0.06 4.20 -1.24 -1.73 -2.17 115.58 115.03 2k3s h ASN 7 Ca 0.08 0.00 -0.00 0.00 0.71 0.00 0.00 56.30 57.09 2k3s h ASN 7 Cb 0.09 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.14 2k3s h ASN 7 CO -0.01 0.37 -0.03 -0.03 -1.29 0.00 0.00 177.43 176.44 2k3s h MET 8 N 0.00 -0.08 -0.37 6.67 4.05 -1.41 -1.25 114.93 122.54 2k3s h MET 8 Ca -0.00 0.01 -0.10 0.00 -0.28 0.00 0.00 59.70 59.32 2k3s h MET 8 Cb 0.76 0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 31.56 2k3s h MET 8 CO 0.05 0.20 -0.17 -0.07 0.23 0.00 0.00 176.91 177.15 2k3s h LEU 9 N -0.36 0.69 -0.29 3.39 3.38 -1.52 -1.29 115.31 119.29 2k3s h LEU 9 Ca -0.01 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 57.74 2k3s h LEU 9 Cb 0.32 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 2k3s h LEU 9 CO 0.01 0.86 0.16 0.25 0.09 0.00 0.00 178.44 179.82 2k3s h LEU 10 N 0.62 0.37 -0.61 1.67 5.85 -1.32 0.21 115.31 122.10 2k3s h LEU 10 Ca 0.10 -0.08 -0.10 0.00 0.84 0.00 0.00 57.88 58.64 2k3s h LEU 10 Cb 0.64 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.55 2k3s h LEU 10 CO 0.04 0.35 0.01 -0.08 -0.34 0.00 0.00 178.44 178.42 2k3s h GLU 11 N 0.36 1.07 -0.14 1.25 4.22 -1.07 0.22 114.58 120.48 2k3s h GLU 11 Ca 0.10 -0.34 -0.02 0.00 0.08 0.00 0.00 59.36 59.19 2k3s h GLU 11 Cb 0.06 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 2k3s h GLU 11 CO -0.02 1.04 0.03 2.35 -2.18 0.00 0.00 179.01 180.23 2k3s h TRP 12 N 0.97 0.25 -0.40 0.92 7.01 -0.97 -1.63 115.95 122.10 2k3s h TRP 12 Ca 0.17 -0.03 -0.06 0.00 2.11 0.00 0.00 58.89 61.08 2k3s h TRP 12 Cb 0.55 -0.07 -0.01 0.00 -2.10 0.00 0.00 29.16 27.53 2k3s h TRP 12 CO 0.04 0.41 0.03 0.00 -2.79 0.00 0.00 178.44 176.13 2k3s h ARG 14 N 0.52 0.64 -0.39 0.00 2.43 -0.93 -1.69 114.38 114.95 2k3s h ARG 14 Ca 0.12 -0.10 -0.04 0.00 -0.81 0.00 0.00 59.98 59.15 2k3s h ARG 14 Cb 0.43 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.85 2k3s h ARG 14 CO 0.02 0.55 0.07 0.00 -1.51 0.00 0.00 179.97 179.09 2k3s h ALA 15 N 1.54 1.39 -0.16 2.80 0.00 -1.07 0.70 119.26 124.45 2k3s h ALA 15 Ca 0.15 -0.18 -0.22 0.00 0.00 0.00 0.00 54.91 54.66 2k3s h ALA 15 Cb 0.18 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 17.81 2k3s h ALA 15 CO -0.01 0.44 -0.76 0.52 0.00 0.00 0.00 179.25 179.43 2k3s h MET 16 N 0.58 0.80 0.00 0.00 2.86 -1.11 -2.94 114.93 115.12 2k3s h MET 16 Ca 0.13 -0.64 0.00 0.00 -2.06 0.00 0.00 59.70 57.13 2k3s h MET 16 Cb 0.26 0.13 0.00 0.00 0.06 0.00 0.00 31.60 32.05 2k3s h MET 16 CO 0.00 1.25 0.00 0.25 1.06 0.00 0.00 176.91 179.47 2k3s n THR 17 N -3.94 0.16 0.24 2.22 -2.24 -0.72 -2.98 114.28 107.03 2k3s n THR 17 Ca -0.07 0.04 0.10 0.00 -2.27 0.00 0.00 64.05 61.85 2k3s n THR 17 Cb 0.74 -0.59 0.61 0.00 -2.10 0.00 0.00 70.33 68.99 2k3s n THR 17 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 2k3s h ARG 18 N 0.00 0.00 -0.37 -0.78 2.43 -0.67 -0.88 114.38 114.10 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 0.35 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.90 2k3s h ARG 18 CO 0.00 0.18 0.00 0.09 -1.51 0.00 0.00 179.97 178.73 2k3s n ASN 19 N -3.69 1.74 -4.45 -3.80 4.13 -1.16 -4.83 115.26 103.20 2k3s n ASN 19 Ca -0.01 -2.06 -0.25 0.00 1.68 0.00 0.00 54.58 53.94 2k3s n ASN 19 Cb 0.30 -0.25 -0.11 0.00 -1.54 0.00 0.00 39.78 38.18 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 -1.63 2.30 0.15 3.10 2.02 -0.34 -5.15 117.35 117.81 2k3s s TYR 20 Ca 0.20 -0.34 0.07 0.00 -0.37 0.00 0.00 57.07 56.63 2k3s s TYR 20 Cb 0.11 -1.05 -0.04 0.00 -0.40 0.00 0.00 41.96 40.58 2k3s s TYR 20 CO 0.12 0.64 -0.03 -1.83 -1.57 0.00 0.00 175.55 172.87 2k3s s GLU 21 N -3.19 2.31 0.00 -0.62 4.04 -1.26 -4.52 118.70 115.46 2k3s s GLU 21 Ca 0.26 -1.09 0.00 0.00 0.04 0.00 0.00 54.97 54.19 2k3s s GLU 21 Cb -0.06 -2.34 0.00 0.00 0.02 0.00 0.00 34.13 31.75 2k3s s GLU 21 CO 0.13 0.47 0.00 1.58 -1.84 0.00 0.00 175.26 175.60 2k3s n HIS 22 N 0.13 0.00 -3.82 4.83 -0.00 -1.26 -4.95 115.22 110.15 2k3s n HIS 22 Ca -0.11 0.00 -0.27 0.00 -0.00 0.00 0.00 57.72 57.34 2k3s n HIS 22 Cb 0.54 -1.13 -0.17 0.00 -0.00 0.00 0.00 29.99 29.24 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 -1.61 0.83 -0.22 3.57 1.01 -1.26 -5.09 120.40 117.62 2k3s s VAL 23 Ca 0.00 -0.52 -0.04 0.00 0.00 0.00 0.00 61.98 61.43 2k3s s VAL 23 Cb 0.00 -1.11 0.08 0.00 0.00 0.00 0.00 36.38 35.35 2k3s s VAL 23 CO 0.00 0.03 0.09 -0.62 0.00 0.00 0.00 175.10 174.60 2k3s s ASP 24 N 1.75 2.96 -0.79 3.32 2.15 -1.26 -4.75 116.67 120.04 2k3s s ASP 24 Ca 0.01 -0.95 -0.25 0.00 0.43 0.00 0.00 52.55 51.78 2k3s s ASP 24 Cb -0.16 -0.41 0.00 0.00 -0.30 0.00 0.00 42.92 42.06 2k3s s ASP 24 CO -0.07 -0.37 1.65 -0.63 -0.17 0.00 0.00 175.17 175.57 2k3s s ILE 25 N 2.02 3.58 -0.17 4.11 1.01 -1.26 -4.76 121.20 125.73 2k3s s ILE 25 Ca 0.04 -0.07 -0.13 0.00 0.00 0.00 0.00 60.65 60.50 2k3s s ILE 25 Cb -0.16 -4.43 -0.22 0.00 0.01 0.00 0.00 42.46 37.65 2k3s s ILE 25 CO -0.18 -1.37 0.22 1.67 0.00 0.00 0.00 174.94 175.28 2k3s n GLN 26 N 9.10 0.67 -4.67 2.79 7.27 -1.26 -4.89 117.38 126.39 2k3s n GLN 26 Ca 0.23 0.38 -0.26 0.00 0.07 0.00 0.00 57.00 57.42 2k3s n GLN 26 Cb 0.50 -1.70 -0.14 0.00 2.41 0.00 0.00 30.24 31.31 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 -6.97 2.48 0.00 1.69 3.84 -1.26 -5.02 114.94 109.70 2k3s s ASN 27 Ca -0.27 -0.52 0.00 0.00 0.21 0.00 0.00 52.86 52.29 2k3s s ASN 27 Cb 0.07 -0.21 0.00 0.00 -0.55 0.00 0.00 41.25 40.56 2k3s s ASN 27 CO 0.67 0.17 1.26 0.49 -2.79 0.00 0.00 177.10 176.90 2k3s n PHE 28 N 1.88 0.00 0.06 0.43 3.72 -1.26 -3.02 117.46 119.27 2k3s n PHE 28 Ca -0.17 -0.63 0.00 0.00 -0.05 0.00 0.00 57.45 56.60 2k3s n PHE 28 Cb 0.53 -0.33 0.00 0.00 -0.94 0.00 0.00 39.48 38.74 2k3s n PHE 28 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 2k3s n SER 29 N 0.95 -0.83 -0.23 4.37 7.64 -1.26 -3.74 113.62 120.51 2k3s n SER 29 Ca 0.00 0.22 -0.04 0.00 1.01 0.00 0.00 58.87 60.06 2k3s n SER 29 Cb 0.45 1.03 0.13 0.00 -1.01 0.00 0.00 64.21 64.81 2k3s n SER 29 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2k3s h SER 30 N 0.00 0.97 0.25 6.43 0.02 -1.87 -1.81 113.55 117.55 2k3s h SER 30 Ca 0.00 -0.14 0.00 0.00 -0.84 0.00 0.00 61.79 60.81 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 0.86 0.00 -1.20 -1.14 0.00 0.00 176.83 175.35 2k3s n SER 31 N -4.29 0.00 -0.50 3.07 7.64 -1.17 -2.35 113.62 116.02 2k3s n SER 31 Ca 0.06 -0.27 0.06 0.00 1.01 0.00 0.00 58.87 59.74 2k3s n SER 31 Cb 0.18 -0.18 0.05 0.00 -1.01 0.00 0.00 64.21 63.25 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 -1.18 0.00 0.47 1.43 7.02 -0.69 -4.47 117.44 120.01 2k3s n TRP 32 Ca 0.12 0.00 0.08 0.00 -1.02 0.00 0.00 57.50 56.68 2k3s n TRP 32 Cb 0.13 0.00 0.34 0.00 -2.42 0.00 0.00 31.31 29.36 2k3s n TRP 32 CO 0.00 0.00 0.00 0.43 -2.02 0.00 0.00 177.69 176.10 2k3s n SER 33 N 0.66 0.14 0.08 -0.99 7.64 -0.99 -2.04 113.62 118.12 2k3s n SER 33 Ca 0.07 0.53 0.03 0.00 1.01 0.00 0.00 58.87 60.52 2k3s n SER 33 Cb 0.32 -0.56 -0.03 0.00 -1.01 0.00 0.00 64.21 62.92 2k3s n SER 33 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 2k3s h SER 34 N 0.00 0.00 0.00 6.43 4.64 -1.79 -3.48 113.55 119.35 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 0.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.36 2k3s h SER 34 CO 0.00 0.42 0.00 0.61 -0.87 0.00 0.00 176.83 176.99 2k3s n GLY 35 N 1.30 2.45 0.32 -0.77 0.00 -0.87 -4.78 105.19 102.84 2k3s n GLY 35 Ca -0.04 -0.01 0.16 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 0.00 0.00 -0.95 1.61 2.86 -1.93 -2.06 114.93 114.47 2k3s h MET 36 Ca 0.00 0.00 0.03 0.00 -2.06 0.00 0.00 59.70 57.67 2k3s h MET 36 Cb 0.00 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 31.61 2k3s h MET 36 CO 0.00 0.00 0.62 0.00 1.06 0.00 0.00 176.91 178.59 2k3s h ALA 37 N 1.84 1.39 -0.12 6.32 0.00 -1.86 0.32 119.26 127.15 2k3s h ALA 37 Ca 0.07 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 2k3s h ALA 37 Cb 0.37 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 2k3s h ALA 37 CO -0.00 0.52 0.02 0.74 0.00 0.00 0.00 179.25 180.53 2k3s h PHE 38 N 1.20 0.22 -0.86 0.00 0.04 -1.75 -2.49 116.94 113.30 2k3s h PHE 38 Ca 0.38 -0.03 -0.03 0.00 2.80 0.00 0.00 57.97 61.09 2k3s h PHE 38 Cb 0.00 -0.06 -0.04 0.00 2.20 0.00 0.00 35.95 38.05 2k3s h PHE 38 CO -0.00 0.39 0.43 0.00 -0.60 0.00 0.00 178.31 178.54 2k3s h ALA 40 N 1.26 0.61 -0.38 0.00 0.00 -0.82 0.14 119.26 120.07 2k3s h ALA 40 Ca 0.30 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.14 2k3s h ALA 40 Cb 0.08 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 2k3s h ALA 40 CO -0.04 0.03 0.05 1.25 0.00 0.00 0.00 179.25 180.54 2k3s h LEU 41 N 0.62 0.62 -0.44 0.00 5.85 -1.15 -1.68 115.31 119.13 2k3s h LEU 41 Ca 0.18 -0.27 -0.04 0.00 0.84 0.00 0.00 57.88 58.59 2k3s h LEU 41 Cb -0.04 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 40.81 2k3s h LEU 41 CO -0.06 0.73 0.11 0.40 -0.34 0.00 0.00 178.44 179.28 2k3s h ILE 42 N 0.48 1.23 0.00 4.05 1.08 -1.09 -2.61 117.51 120.65 2k3s h ILE 42 Ca 0.12 -0.80 -0.04 0.00 -0.39 0.00 0.00 64.86 63.75 2k3s h ILE 42 Cb 0.38 0.92 -0.01 0.00 -3.07 0.00 0.00 36.82 35.04 2k3s h ILE 42 CO 0.01 0.28 -0.18 -0.74 -0.69 0.00 0.00 178.15 176.83 2k3s h HIS 43 N 0.57 0.00 -0.80 1.37 2.76 -0.64 0.28 115.15 118.70 2k3s h HIS 43 Ca 0.14 0.00 -0.05 0.00 -2.20 0.00 0.00 60.37 58.26 2k3s h HIS 43 Cb 0.31 0.00 -0.04 0.00 1.55 0.00 0.00 27.41 29.24 2k3s h HIS 43 CO 0.02 0.18 0.32 -0.22 -1.30 0.00 0.00 177.93 176.93 2k3s h LYS 44 N 0.00 1.19 0.03 5.26 1.63 -0.91 -3.26 116.57 120.51 2k3s h LYS 44 Ca -0.00 -0.21 -0.36 0.00 -0.85 0.00 0.00 60.65 59.22 2k3s h LYS 44 Cb 0.37 -0.19 -0.05 0.00 -0.60 0.00 0.00 32.23 31.75 2k3s h LYS 44 CO 0.02 0.96 -2.19 1.19 -3.45 0.00 0.00 179.45 175.99 2k3s n PHE 45 N -4.28 0.51 -3.80 1.91 3.72 -1.00 -4.78 117.46 109.75 2k3s n PHE 45 Ca 0.07 0.14 -0.35 0.00 -0.05 0.00 0.00 57.45 57.26 2k3s n PHE 45 Cb 0.19 -1.08 -0.12 0.00 -0.94 0.00 0.00 39.48 37.53 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 -2.54 3.53 -0.35 1.38 0.08 0.96 -4.92 117.98 116.11 2k3s s PHE 46 Ca -0.20 -2.62 0.27 0.00 0.12 0.00 0.00 56.93 54.50 2k3s s PHE 46 Cb 0.07 -3.16 1.00 0.00 -0.57 0.00 0.00 43.02 40.37 2k3s s PHE 46 CO 0.74 -0.92 1.79 -1.35 -0.10 0.00 0.00 175.22 175.39 2k3s h PRO 47 N 7.60 0.00 0.00 0.24 0.11 -1.82 -2.63 132.00 135.50 2k3s h PRO 47 Ca -0.08 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.03 2k3s h PRO 47 Cb 1.01 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.12 2k3s h PRO 47 CO 0.68 0.00 -0.49 -1.91 -0.21 0.00 0.00 178.00 176.08 2k3s n GLU 48 N -2.57 0.00 0.14 1.05 2.13 -1.26 -4.36 120.64 115.77 2k3s n GLU 48 Ca 0.02 0.00 -0.06 0.00 0.66 0.00 0.00 57.16 57.79 2k3s n GLU 48 Cb 0.32 -1.50 -0.03 0.00 0.27 0.00 0.00 31.44 30.50 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 2.99 -1.06 -2.21 4.31 0.00 -1.82 -3.48 119.26 117.99 2k3s h ALA 49 Ca 0.00 -0.08 0.10 0.00 0.00 0.00 0.00 54.91 54.93 2k3s h ALA 49 Cb 0.50 0.20 -0.16 0.00 0.00 0.00 0.00 17.79 18.33 2k3s h ALA 49 CO 0.00 -1.04 0.49 -0.59 0.00 0.00 0.00 179.25 178.11 2k3s s PHE 50 N -3.86 -0.36 -0.13 0.00 -0.12 -1.26 -5.07 117.98 107.18 2k3s s PHE 50 Ca -0.06 0.28 -0.23 0.00 -0.05 0.00 0.00 56.93 56.87 2k3s s PHE 50 Cb 0.01 0.53 -0.03 0.00 -0.63 0.00 0.00 43.02 42.90 2k3s s PHE 50 CO 0.17 -0.53 0.72 0.34 -0.05 0.00 0.00 175.22 175.88 2k3s s ASP 51 N -2.31 6.90 0.45 1.98 2.15 -1.26 -4.87 116.67 119.71 2k3s s ASP 51 Ca 0.04 1.09 0.25 0.00 0.43 0.00 0.00 52.55 54.36 2k3s s ASP 51 Cb -0.01 -2.41 0.93 0.00 -0.30 0.00 0.00 42.92 41.13 2k3s s ASP 51 CO -0.08 -0.25 1.83 0.22 -0.17 0.00 0.00 175.17 176.72 2k3s h TYR 52 N 7.13 0.00 0.00 -5.34 3.20 -1.94 -2.78 116.97 117.24 2k3s h TYR 52 Ca -0.35 0.00 -0.09 0.00 3.14 0.00 0.00 58.73 61.43 2k3s h TYR 52 Cb 1.16 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.42 2k3s h TYR 52 CO 0.69 0.20 -0.43 0.00 -1.64 0.00 0.00 178.16 176.97 2k3s h ALA 53 N 1.80 0.79 0.00 1.82 0.00 -2.04 -3.07 119.26 118.56 2k3s h ALA 53 Ca -0.00 -0.39 -0.12 0.00 0.00 0.00 0.00 54.91 54.40 2k3s h ALA 53 Cb 0.75 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 2k3s h ALA 53 CO 0.03 0.54 -0.76 1.49 0.00 0.00 0.00 179.25 180.54 2k3s h GLU 54 N 0.00 0.00 -6.88 0.00 4.81 -1.91 -3.46 114.58 107.14 2k3s h GLU 54 Ca -0.00 0.00 -0.51 0.00 -0.13 0.00 0.00 59.36 58.71 2k3s h GLU 54 Cb 1.19 0.00 0.05 0.00 0.63 0.00 0.00 28.75 30.62 2k3s h GLU 54 CO 0.06 0.44 0.56 -0.51 -0.73 0.00 0.00 179.01 178.82 2k3s s LEU 55 N -6.25 4.38 -0.02 1.64 1.43 -1.12 -5.04 118.68 113.70 2k3s s LEU 55 Ca 0.02 2.49 0.03 0.00 -1.03 0.00 0.00 54.13 55.64 2k3s s LEU 55 Cb 0.08 -3.76 -0.00 0.00 0.03 0.00 0.00 46.19 42.54 2k3s s LEU 55 CO 0.76 -0.49 -0.11 1.51 0.23 0.00 0.00 176.35 178.26 2k3s s ASP 56 N -0.78 1.35 0.55 2.29 -4.77 -1.26 -5.00 116.67 109.05 2k3s s ASP 56 Ca 0.50 -0.21 0.25 0.00 -3.30 0.00 0.00 52.55 49.80 2k3s s ASP 56 Cb -0.35 -0.24 1.45 0.00 -1.09 0.00 0.00 42.92 42.69 2k3s s ASP 56 CO 0.46 0.12 2.03 -0.65 0.70 0.00 0.00 175.17 177.82 2k3s h PRO 57 N 6.07 0.00 -0.44 2.11 0.11 -1.96 -1.89 132.00 136.01 2k3s h PRO 57 Ca -0.33 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.71 2k3s h PRO 57 Cb 1.17 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.26 2k3s h PRO 57 CO 0.49 0.00 -0.03 0.00 -0.21 0.00 0.00 178.00 178.25 2k3s h ALA 58 N 1.74 1.13 -0.35 -0.75 0.00 -1.97 -2.42 119.26 116.64 2k3s h ALA 58 Ca 0.18 -0.27 -0.20 0.00 0.00 0.00 0.00 54.91 54.63 2k3s h ALA 58 Cb 0.80 -0.18 -0.11 0.00 0.00 0.00 0.00 17.79 18.31 2k3s h ALA 58 CO -0.00 0.56 0.25 1.63 0.00 0.00 0.00 179.25 181.68 2k3s n LYS 59 N -4.21 1.48 -0.17 0.00 5.02 -0.71 -4.49 118.16 115.07 2k3s n LYS 59 Ca 0.02 -1.07 0.27 0.00 -2.02 0.00 0.00 58.31 55.51 2k3s n LYS 59 Cb 0.31 -1.42 0.70 0.00 -0.02 0.00 0.00 35.03 34.60 2k3s n LYS 59 CO 0.00 0.00 0.00 0.07 -0.52 0.00 0.00 177.40 176.95 2k3s h ARG 60 N 0.65 0.04 0.88 1.97 -0.00 -1.55 0.30 114.38 116.66 2k3s h ARG 60 Ca 0.22 -0.00 -0.04 0.00 -0.00 0.00 0.00 59.98 60.15 2k3s h ARG 60 Cb 1.44 -0.01 0.01 0.00 -0.00 0.00 0.00 29.97 31.41 2k3s h ARG 60 CO 0.43 0.03 -0.42 0.00 -0.00 0.00 0.00 179.97 180.01 2k3s h ARG 61 N 0.04 -1.13 -0.00 0.08 2.47 -1.88 -0.61 114.38 113.35 2k3s h ARG 61 Ca 0.42 0.08 -0.08 0.00 -1.26 0.00 0.00 59.98 59.14 2k3s h ARG 61 Cb 1.62 0.26 -0.01 0.00 -1.65 0.00 0.00 29.97 30.18 2k3s h ARG 61 CO -0.02 -0.76 -0.38 1.25 0.56 0.00 0.00 179.97 180.62 2k3s h HIS 62 N -1.29 0.00 -0.11 3.04 2.76 -1.74 -2.69 115.15 115.12 2k3s h HIS 62 Ca -0.12 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.05 2k3s h HIS 62 Cb 0.90 -0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.86 2k3s h HIS 62 CO 0.01 0.39 0.07 -0.97 -1.30 0.00 0.00 177.93 176.12 2k3s h ASN 63 N 0.00 0.13 -0.86 3.26 -1.24 -0.33 0.25 115.58 116.79 2k3s h ASN 63 Ca -0.00 -0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.00 2k3s h ASN 63 Cb 0.68 -0.03 -0.04 0.00 0.73 0.00 0.00 38.32 39.66 2k3s h ASN 63 CO 0.05 0.09 0.54 -0.26 -1.29 0.00 0.00 177.43 176.56 2k3s h PHE 64 N 0.15 1.11 -0.27 0.67 0.04 -0.90 -0.70 116.94 117.04 2k3s h PHE 64 Ca 0.04 0.01 -0.02 0.00 2.80 0.00 0.00 57.97 60.80 2k3s h PHE 64 Cb -0.02 -0.37 -0.01 0.00 2.20 0.00 0.00 35.95 37.75 2k3s h PHE 64 CO -0.07 0.72 0.10 1.15 -0.60 0.00 0.00 178.31 179.61 2k3s h THR 65 N 1.18 1.18 -0.73 -1.55 2.02 -1.12 -2.40 112.91 111.49 2k3s h THR 65 Ca 0.31 -0.57 -0.02 0.00 0.77 0.00 0.00 66.41 66.91 2k3s h THR 65 Cb -0.09 1.05 -0.03 0.00 -1.74 0.00 0.00 68.15 67.34 2k3s h THR 65 CO -0.06 0.19 0.39 0.25 0.37 0.00 0.00 175.52 176.66 2k3s h LEU 66 N 0.28 0.92 0.06 2.58 5.85 -0.13 0.19 115.31 125.06 2k3s h LEU 66 Ca 0.09 -0.10 -0.00 0.00 0.84 0.00 0.00 57.88 58.70 2k3s h LEU 66 Cb 0.20 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.00 2k3s h LEU 66 CO -0.01 0.76 -0.03 0.00 -0.34 0.00 0.00 178.44 178.82 2k3s h ALA 67 N 1.20 -0.08 -0.25 1.25 0.00 -1.00 -1.16 119.26 119.21 2k3s h ALA 67 Ca 0.25 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.09 2k3s h ALA 67 Cb 0.05 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 2k3s h ALA 67 CO -0.04 -0.54 -0.06 0.74 0.00 0.00 0.00 179.25 179.35 2k3s h PHE 68 N -0.09 0.54 -0.22 0.00 0.04 -1.28 -2.57 116.94 113.37 2k3s h PHE 68 Ca -0.01 -0.11 -0.00 0.00 2.80 0.00 0.00 57.97 60.64 2k3s h PHE 68 Cb 0.07 -0.13 -0.01 0.00 2.20 0.00 0.00 35.95 38.08 2k3s h PHE 68 CO -0.07 0.70 0.13 0.66 -0.60 0.00 0.00 178.31 179.12 2k3s h SER 69 N 0.22 0.26 -0.69 2.17 4.64 -0.92 -1.06 113.55 118.17 2k3s h SER 69 Ca 0.06 -0.06 -0.05 0.00 -0.47 0.00 0.00 61.79 61.27 2k3s h SER 69 Cb 0.52 -0.07 -0.03 0.00 -0.31 0.00 0.00 62.40 62.51 2k3s h SER 69 CO 0.02 0.25 0.23 0.74 -0.87 0.00 0.00 176.83 177.21 2k3s h THR 70 N 0.25 1.25 -0.09 2.95 2.02 -1.26 0.30 112.91 118.35 2k3s h THR 70 Ca 0.08 -0.86 -0.07 0.00 0.77 0.00 0.00 66.41 66.34 2k3s h THR 70 Cb 0.04 0.45 -0.01 0.00 -1.74 0.00 0.00 68.15 66.89 2k3s h THR 70 CO -0.01 0.34 -0.25 0.00 0.37 0.00 0.00 175.52 175.96 2k3s h ALA 71 N 1.21 1.43 -0.05 6.16 0.00 -1.22 0.11 119.26 126.89 2k3s h ALA 71 Ca 0.23 -0.27 -0.23 0.00 0.00 0.00 0.00 54.91 54.64 2k3s h ALA 71 Cb 0.27 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.00 2k3s h ALA 71 CO -0.01 0.41 -0.89 1.49 0.00 0.00 0.00 179.25 180.25 2k3s h GLU 72 N 0.14 0.58 -0.06 0.00 4.57 -0.40 -1.92 114.58 117.48 2k3s h GLU 72 Ca 0.02 -0.55 -0.18 0.00 -1.18 0.00 0.00 59.36 57.47 2k3s h GLU 72 Cb 0.52 0.14 0.01 0.00 -0.16 0.00 0.00 28.75 29.26 2k3s h GLU 72 CO 0.04 1.17 -0.68 0.87 -1.18 0.00 0.00 179.01 179.23 2k3s h LYS 73 N 0.36 0.57 -0.37 1.92 1.79 -0.49 -0.34 116.57 120.00 2k3s h LYS 73 Ca -0.08 -0.53 0.00 0.00 -2.18 0.00 0.00 60.65 57.87 2k3s h LYS 73 Cb 1.51 0.13 0.00 0.00 -1.58 0.00 0.00 32.23 32.29 2k3s h LYS 73 CO 0.17 1.15 0.00 1.28 -1.08 0.00 0.00 179.45 180.97 2k3s n LEU 74 N -4.11 2.49 0.00 2.94 4.77 0.34 -4.61 117.00 118.81 2k3s n LEU 74 Ca -0.09 -1.15 0.00 0.00 -0.03 0.00 0.00 56.01 54.73 2k3s n LEU 74 Cb 0.70 -0.24 0.00 0.00 -2.33 0.00 0.00 43.42 41.54 2k3s n LEU 74 CO 0.49 0.58 0.00 0.00 -1.33 0.00 0.00 177.39 177.13 2k3s n ALA 75 N 0.85 0.00 -2.36 -1.18 0.00 -0.85 -5.03 120.51 111.95 2k3s n ALA 75 Ca 0.17 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.60 2k3s n ALA 75 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.88 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 -0.51 -6.16 0.00 0.00 8.00 -0.14 -4.98 116.55 112.75 2k3s n ASP 76 Ca 0.00 0.87 0.00 0.00 0.71 0.00 0.00 54.79 56.37 2k3s n ASP 76 Cb 0.00 -4.01 0.00 0.00 -0.02 0.00 0.00 41.12 37.09 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 -2.04 2.77 -1.24 0.00 0.00 -1.26 -5.01 121.76 114.99 2k3s s ALA 78 Ca 0.00 -1.32 -0.17 0.00 0.00 0.00 0.00 51.96 50.47 2k3s s ALA 78 Cb 0.00 -1.72 -0.02 0.00 0.00 0.00 0.00 23.12 21.38 2k3s s ALA 78 CO 0.00 -0.63 2.06 1.04 0.00 0.00 0.00 175.76 178.23 2k3s n GLN 79 N 4.75 2.46 -0.01 0.00 6.02 -1.26 -4.62 117.38 124.71 2k3s n GLN 79 Ca -0.17 -2.48 -0.17 0.00 -0.01 0.00 0.00 57.00 54.17 2k3s n GLN 79 Cb 0.49 -3.24 -0.09 0.00 1.02 0.00 0.00 30.24 28.41 2k3s n GLN 79 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 2k3s h LEU 80 N 11.84 0.70-10.11 1.08 3.38 -1.97 -3.45 115.31 116.79 2k3s h LEU 80 Ca 0.49 -0.69 -0.51 0.00 0.09 0.00 0.00 57.88 57.26 2k3s h LEU 80 Cb 0.70 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.22 2k3s h LEU 80 CO 1.81 1.28 -0.39 -0.76 0.09 0.00 0.00 178.44 180.48 2k3s s LEU 81 N -8.42 4.27 0.07 1.67 1.43 -1.26 -5.11 118.68 111.32 2k3s s LEU 81 Ca -0.12 0.25 0.09 0.00 -1.03 0.00 0.00 54.13 53.31 2k3s s LEU 81 Cb 0.06 -3.02 -0.03 0.00 0.03 0.00 0.00 46.19 43.23 2k3s s LEU 81 CO 0.85 -0.04 -0.23 -1.61 0.23 0.00 0.00 176.35 175.55 2k3s s GLU 82 N -3.56 1.43 0.08 1.70 2.02 -1.26 -5.05 118.70 114.05 2k3s s GLU 82 Ca 0.36 -1.10 -0.36 0.00 0.02 0.00 0.00 54.97 53.90 2k3s s GLU 82 Cb -0.10 -1.66 -0.18 0.00 0.10 0.00 0.00 34.13 32.29 2k3s s GLU 82 CO 0.30 0.41 1.57 0.28 0.02 0.00 0.00 175.26 177.84 2k3s h VAL 83 N 4.18 0.05 -0.24 2.63 2.07 -1.96 0.44 116.25 123.42 2k3s h VAL 83 Ca -0.46 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.10 2k3s h VAL 83 Cb 1.16 0.05 -0.04 0.00 -1.52 0.00 0.00 31.29 30.95 2k3s h VAL 83 CO 0.42 0.00 0.02 0.44 0.02 0.00 0.00 177.57 178.47 2k3s h ASP 84 N -1.06 -0.06 -0.10 0.57 3.32 -1.97 -0.20 116.42 116.92 2k3s h ASP 84 Ca -0.08 0.05 0.03 0.00 0.02 0.00 0.00 57.03 57.05 2k3s h ASP 84 Cb 0.89 0.08 -0.03 0.00 0.22 0.00 0.00 39.33 40.49 2k3s h ASP 84 CO 0.02 0.00 -0.08 -0.78 -1.72 0.00 0.00 179.24 176.68 2k3s h ASP 85 N 0.10 -0.25 -0.53 6.45 3.58 -1.96 0.46 116.42 124.26 2k3s h ASP 85 Ca 0.11 0.05 -0.05 0.00 0.42 0.00 0.00 57.03 57.56 2k3s h ASP 85 Cb 0.13 0.13 -0.03 0.00 1.72 0.00 0.00 39.33 41.29 2k3s h ASP 85 CO -0.18 -0.11 0.15 0.24 -2.88 0.00 0.00 179.24 176.46 2k3s h MET 86 N -0.09 0.89 -0.40 0.28 2.86 -0.67 -0.03 114.93 117.76 2k3s h MET 86 Ca 0.07 -0.18 -0.13 0.00 -2.06 0.00 0.00 59.70 57.40 2k3s h MET 86 Cb 0.19 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 31.70 2k3s h MET 86 CO -0.16 0.79 -0.25 0.28 1.06 0.00 0.00 176.91 178.63 2k3s h VAL 87 N 0.86 1.27 -0.16 -2.22 2.07 -0.59 0.42 116.25 117.90 2k3s h VAL 87 Ca 0.19 -1.39 -0.13 0.00 0.82 0.00 0.00 66.70 66.18 2k3s h VAL 87 Cb 0.30 1.23 0.00 0.00 -1.52 0.00 0.00 31.29 31.30 2k3s h VAL 87 CO -0.00 0.47 -0.42 0.03 0.02 0.00 0.00 177.57 177.67 2k3s h ARG 88 N 0.72 0.56 0.09 1.57 3.08 -0.55 -3.29 114.38 116.56 2k3s h ARG 88 Ca 0.09 -0.39 -0.25 0.00 0.07 0.00 0.00 59.98 59.49 2k3s h ARG 88 Cb 0.79 0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.90 2k3s h ARG 88 CO 0.07 1.01 -1.14 -0.07 -1.07 0.00 0.00 179.97 178.76 2k3s h LEU 89 N 0.20 0.40 0.00 3.04 3.38 -1.00 -3.47 115.31 117.86 2k3s h LEU 89 Ca -0.01 -0.40 0.00 0.00 0.09 0.00 0.00 57.88 57.56 2k3s h LEU 89 Cb 1.03 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.65 2k3s h LEU 89 CO 0.09 1.28 0.00 0.00 0.09 0.00 0.00 178.44 179.90 2k3s n ALA 90 N -2.52 0.00 -2.62 1.53 0.00 0.15 -4.81 120.51 112.25 2k3s n ALA 90 Ca -0.07 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 52.96 2k3s n ALA 90 Cb 0.97 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 20.31 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 5.02 0.83 0.00 1.01 -1.26 -4.11 120.40 121.89 2k3s s VAL 91 Ca 0.00 -0.57 -0.10 0.00 0.00 0.00 0.00 61.98 61.30 2k3s s VAL 91 Cb 0.00 -3.71 0.13 0.00 0.00 0.00 0.00 36.38 32.80 2k3s s VAL 91 CO 0.00 -0.17 1.17 -2.16 0.00 0.00 0.00 175.10 173.93 2k3s s PRO 92 N 1.65 1.41 0.32 2.72 0.04 -1.26 -5.05 135.00 134.82 2k3s s PRO 92 Ca 0.04 -0.42 -0.16 0.00 0.04 0.00 0.00 61.00 60.50 2k3s s PRO 92 Cb -0.18 -2.03 -0.09 0.00 0.04 0.00 0.00 34.50 32.24 2k3s s PRO 92 CO 0.09 -1.83 0.75 0.34 0.04 0.00 0.00 177.00 176.39 2k3s s ASP 93 N -4.73 6.82 0.19 6.66 -1.08 -1.26 -4.63 116.67 118.64 2k3s s ASP 93 Ca 0.67 1.33 -0.10 0.00 -0.52 0.00 0.00 52.55 53.93 2k3s s ASP 93 Cb -0.07 -2.39 0.10 0.00 -1.46 0.00 0.00 42.92 39.10 2k3s s ASP 93 CO 0.49 -0.19 1.74 0.28 0.52 0.00 0.00 175.17 178.01 2k3s h SER 94 N 2.37 0.92 1.20 -0.34 0.02 -1.98 -2.92 113.55 112.82 2k3s h SER 94 Ca -0.48 -0.17 -0.08 0.00 -0.84 0.00 0.00 61.79 60.22 2k3s h SER 94 Cb 1.18 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 63.46 2k3s h SER 94 CO 0.65 0.85 -0.83 0.07 -1.14 0.00 0.00 176.83 176.42 2k3s h LYS 95 N 0.94 0.00 -0.68 3.45 2.10 -1.95 -2.67 116.57 117.77 2k3s h LYS 95 Ca 0.22 0.00 -0.05 0.00 -2.00 0.00 0.00 60.65 58.82 2k3s h LYS 95 Cb 0.21 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.51 2k3s h LYS 95 CO -0.02 0.22 0.23 0.00 -2.00 0.00 0.00 179.45 177.88 2k3s h VAL 97 N 0.99 1.36 -0.42 0.00 2.07 -1.60 -3.06 116.25 115.60 2k3s h VAL 97 Ca 0.22 -2.42 0.06 0.00 0.82 0.00 0.00 66.70 65.38 2k3s h VAL 97 Cb 0.28 2.46 -0.06 0.00 -1.52 0.00 0.00 31.29 32.46 2k3s h VAL 97 CO -0.01 0.73 0.10 0.22 0.02 0.00 0.00 177.57 178.63 2k3s h TYR 98 N 0.28 0.17 -0.20 1.57 3.20 -1.13 -0.13 116.97 120.72 2k3s h TYR 98 Ca -0.11 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.78 2k3s h TYR 98 Cb 1.67 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 39.92 2k3s h TYR 98 CO 0.08 0.03 0.11 1.15 -1.64 0.00 0.00 178.16 177.89 2k3s h THR 99 N 0.24 1.10 -0.90 1.81 2.02 -1.17 -1.67 112.91 114.33 2k3s h THR 99 Ca 0.20 -0.26 0.09 0.00 0.77 0.00 0.00 66.41 67.22 2k3s h THR 99 Cb 0.24 0.90 -0.07 0.00 -1.74 0.00 0.00 68.15 67.48 2k3s h THR 99 CO -0.25 0.09 0.55 0.22 0.37 0.00 0.00 175.52 176.50 2k3s h TYR 100 N 0.23 1.02 -0.63 3.16 3.20 -1.29 -0.66 116.97 121.99 2k3s h TYR 100 Ca 0.07 0.03 -0.09 0.00 3.14 0.00 0.00 58.73 61.88 2k3s h TYR 100 Cb 0.05 -0.32 -0.02 0.00 1.54 0.00 0.00 36.73 37.97 2k3s h TYR 100 CO -0.04 0.46 0.03 0.82 -1.64 0.00 0.00 178.16 177.79 2k3s h ILE 101 N 0.95 1.27 -0.30 1.81 1.08 -0.71 -1.32 117.51 120.29 2k3s h ILE 101 Ca 0.42 -1.13 -0.04 0.00 -0.39 0.00 0.00 64.86 63.72 2k3s h ILE 101 Cb 0.30 0.74 -0.01 0.00 -3.07 0.00 0.00 36.82 34.79 2k3s h ILE 101 CO -0.22 0.42 0.04 -0.61 -0.69 0.00 0.00 178.15 177.09 2k3s h GLN 102 N 1.01 0.51 -0.74 2.37 -0.00 -0.32 0.20 115.11 118.14 2k3s h GLN 102 Ca 0.18 -0.14 -0.03 0.00 -0.00 0.00 0.00 58.65 58.66 2k3s h GLN 102 Cb 0.53 -0.06 -0.03 0.00 0.00 0.00 0.00 27.48 27.92 2k3s h GLN 102 CO 0.03 0.62 0.33 0.93 0.00 0.00 0.00 178.83 180.74 2k3s h GLU 103 N 0.33 1.08 -0.39 1.69 4.39 -1.08 -1.35 114.58 119.25 2k3s h GLU 103 Ca 0.09 -0.17 -0.12 0.00 0.34 0.00 0.00 59.36 59.51 2k3s h GLU 103 Cb 0.36 -0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 28.81 2k3s h GLU 103 CO 0.01 0.85 -0.21 1.25 -1.16 0.00 0.00 179.01 179.75 2k3s h LEU 104 N 1.07 0.86 -0.55 1.33 5.85 -0.99 -2.81 115.31 120.08 2k3s h LEU 104 Ca 0.25 -0.41 0.04 0.00 0.84 0.00 0.00 57.88 58.61 2k3s h LEU 104 Cb 0.15 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 40.90 2k3s h LEU 104 CO -0.03 1.08 0.30 0.22 -0.34 0.00 0.00 178.44 179.67 2k3s h TYR 105 N 0.64 0.54 -0.54 1.25 3.20 -0.13 -1.18 116.97 120.75 2k3s h TYR 105 Ca 0.09 0.02 0.06 0.00 3.14 0.00 0.00 58.73 62.04 2k3s h TYR 105 Cb 0.77 -0.16 -0.05 0.00 1.54 0.00 0.00 36.73 38.82 2k3s h TYR 105 CO 0.06 0.28 0.25 -0.09 -1.64 0.00 0.00 178.16 177.01 2k3s h ARG 106 N 0.57 0.46 -0.91 1.82 2.43 -1.16 0.12 114.38 117.70 2k3s h ARG 106 Ca 0.24 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.37 2k3s h ARG 106 Cb 0.12 -0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 29.52 2k3s h ARG 106 CO -0.15 0.30 0.52 0.77 -1.51 0.00 0.00 179.97 179.90 2k3s h SER 107 N 0.47 1.12 -0.05 -3.80 0.02 -1.11 0.10 113.55 110.30 2k3s h SER 107 Ca 0.25 -0.09 -0.11 0.00 -0.84 0.00 0.00 61.79 61.00 2k3s h SER 107 Cb 0.21 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.46 2k3s h SER 107 CO -0.21 0.89 -0.31 -0.07 -1.14 0.00 0.00 176.83 175.99 2k3s h LEU 108 N 1.27 0.53 -0.06 5.07 3.38 -0.29 -1.50 115.31 123.71 2k3s h LEU 108 Ca 0.32 -0.20 -0.03 0.00 0.09 0.00 0.00 57.88 58.06 2k3s h LEU 108 Cb -0.00 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.60 2k3s h LEU 108 CO -0.05 0.81 -0.09 0.58 0.09 0.00 0.00 178.44 179.78 2k3s h VAL 109 N 0.45 1.39 0.00 1.22 2.07 -0.41 -0.35 116.25 120.63 2k3s h VAL 109 Ca 0.06 -1.31 -0.00 0.00 0.82 0.00 0.00 66.70 66.26 2k3s h VAL 109 Cb 0.76 2.12 -0.00 0.00 -1.52 0.00 0.00 31.29 32.65 2k3s h VAL 109 CO 0.06 0.36 -0.00 1.56 0.02 0.00 0.00 177.57 179.57 2k3s h GLN 110 N -0.29 0.00 0.00 1.57 4.20 -0.95 -1.24 115.11 118.41 2k3s h GLN 110 Ca 0.01 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.72 2k3s h GLN 110 Cb 0.63 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.41 2k3s h GLN 110 CO 0.02 0.00 -0.44 1.63 -0.67 0.00 0.00 178.83 179.37 2k3s n LYS 111 N -3.10 0.16 -0.86 1.46 5.02 -0.57 -4.94 118.16 115.33 2k3s n LYS 111 Ca -0.00 0.06 0.00 0.00 -2.02 0.00 0.00 58.31 56.35 2k3s n LYS 111 Cb 0.25 -1.61 0.00 0.00 -0.02 0.00 0.00 35.03 33.64 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 1.41 0.52 0.17 0.72 0.00 -0.47 -4.94 105.19 102.59 2k3s n GLY 112 Ca 0.05 -0.49 -0.15 0.00 0.00 0.00 0.00 46.02 45.42 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 0.63 -0.64 0.99 3.38 -1.28 -3.15 115.31 115.23 2k3s h LEU 113 Ca 0.00 -0.51 -0.11 0.00 0.09 0.00 0.00 57.88 57.35 2k3s h LEU 113 Cb 0.00 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 2k3s h LEU 113 CO 0.00 1.31 -0.53 0.58 0.09 0.00 0.00 178.44 179.89 2k3s h VAL 114 N 0.27 1.12 -0.55 1.22 2.07 -1.82 -3.23 116.25 115.33 2k3s h VAL 114 Ca -0.09 -2.00 -0.32 0.00 0.82 0.00 0.00 66.70 65.11 2k3s h VAL 114 Cb 1.61 2.16 -0.12 0.00 -1.52 0.00 0.00 31.29 33.42 2k3s h VAL 114 CO 0.17 0.52 0.23 1.17 0.02 0.00 0.00 177.57 179.68 2k3s n LYS 115 N -3.53 1.95 -0.83 1.57 4.81 -1.19 -4.28 118.16 116.65 2k3s n LYS 115 Ca -0.00 -1.56 0.08 0.00 -0.87 0.00 0.00 58.31 55.95 2k3s n LYS 115 Cb 0.62 -1.79 0.39 0.00 0.02 0.00 0.00 35.03 34.28 2k3s n LYS 115 CO 0.00 0.00 0.00 -2.37 1.17 0.00 0.00 177.40 176.20 2k3s n THR 116 N 1.01 2.57 0.68 3.15 5.66 -1.22 -4.45 114.28 121.69 2k3s n THR 116 Ca 0.35 -1.39 0.00 0.00 -3.05 0.00 0.00 64.05 59.97 2k3s n THR 116 Cb 0.61 -0.19 0.06 0.00 -1.55 0.00 0.00 70.33 69.26 2k3s n THR 116 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 2k3s n LYS 117 N 0.69 1.56 -4.13 1.09 5.02 -1.26 -4.83 118.16 116.30 2k3s n LYS 117 Ca 0.27 -0.51 -0.23 0.00 -2.02 0.00 0.00 58.31 55.82 2k3s n LYS 117 Cb 1.13 -1.55 -0.05 0.00 -0.02 0.00 0.00 35.03 34.54 2k3s n LYS 117 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2k3s s LYS 118 N -1.16 2.83 0.00 1.97 1.02 -1.26 -5.29 119.74 117.85 2k3s s LYS 118 Ca 0.09 -1.04 0.00 0.00 0.02 0.00 0.00 55.97 55.04 2k3s s LYS 118 Cb 0.07 -2.54 0.00 0.00 -0.52 0.00 0.00 37.83 34.84 2k3s s LYS 118 CO 0.02 0.42 0.00 1.17 -0.92 0.00 0.00 175.35 176.05