#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 -0.61 1.61 0.11 -2.04 -1.12 132.00 129.96 2k3s h PRO 2 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 2k3s h PRO 2 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 2k3s h PRO 2 CO 0.00 0.06 0.00 1.28 -0.21 0.00 0.00 178.00 179.13 2k3s n LEU 3 N -3.79 5.06 -4.10 2.35 4.77 -1.26 -4.84 117.00 115.19 2k3s n LEU 3 Ca -0.02 -2.63 -0.33 0.00 -0.03 0.00 0.00 56.01 53.00 2k3s n LEU 3 Cb 0.15 -0.61 -0.14 0.00 -2.33 0.00 0.00 43.42 40.48 2k3s n LEU 3 CO 0.29 0.75 -0.40 -0.83 -1.33 0.00 0.00 177.39 175.86 2k3s s GLY 4 N -0.91 1.73 0.33 -0.72 0.00 -0.42 -4.98 107.32 102.35 2k3s s GLY 4 Ca 0.52 -1.86 0.03 0.00 0.00 0.00 0.00 44.72 43.41 2k3s s GLY 4 CO 0.21 0.68 1.89 1.76 0.00 0.00 0.00 173.10 177.65 2k3s h SER 5 N 7.84 0.57 -0.45 1.64 0.02 -1.88 -1.64 113.55 119.65 2k3s h SER 5 Ca -0.18 -0.09 -0.06 0.00 -0.84 0.00 0.00 61.79 60.62 2k3s h SER 5 Cb 1.05 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 63.41 2k3s h SER 5 CO 0.50 0.58 0.08 0.11 -1.14 0.00 0.00 176.83 176.96 2k3s h LYS 6 N 0.61 0.81 -0.01 3.45 1.57 -1.93 -2.54 116.57 118.53 2k3s h LYS 6 Ca 0.14 -0.19 -0.19 0.00 -1.87 0.00 0.00 60.65 58.55 2k3s h LYS 6 Cb 0.24 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 2k3s h LYS 6 CO -0.00 0.77 -0.82 -0.97 -0.57 0.00 0.00 179.45 177.85 2k3s h ASN 7 N 0.77 0.25 0.09 0.86 -0.00 -1.72 -1.96 115.58 113.87 2k3s h ASN 7 Ca 0.16 -0.19 0.01 0.00 -0.00 0.00 0.00 56.30 56.28 2k3s h ASN 7 Cb 0.35 -0.07 -0.01 0.00 -0.00 0.00 0.00 38.32 38.59 2k3s h ASN 7 CO 0.01 0.96 -0.10 -0.03 -0.00 0.00 0.00 177.43 178.27 2k3s h MET 8 N 0.12 -0.21 -0.23 6.67 4.05 -0.92 0.16 114.93 124.57 2k3s h MET 8 Ca -0.04 0.01 -0.11 0.00 -0.28 0.00 0.00 59.70 59.29 2k3s h MET 8 Cb 1.43 0.05 -0.01 0.00 -0.80 0.00 0.00 31.60 32.26 2k3s h MET 8 CO 0.13 -0.14 -0.33 -0.07 0.23 0.00 0.00 176.91 176.73 2k3s h LEU 9 N -0.22 0.50 -0.06 3.39 3.38 -1.52 -2.03 115.31 118.75 2k3s h LEU 9 Ca 0.01 -0.19 -0.00 0.00 0.09 0.00 0.00 57.88 57.79 2k3s h LEU 9 Cb 0.22 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.83 2k3s h LEU 9 CO -0.04 0.80 0.03 0.25 0.09 0.00 0.00 178.44 179.57 2k3s h LEU 10 N 0.41 0.07 -0.62 1.67 5.85 -0.85 -0.88 115.31 120.96 2k3s h LEU 10 Ca 0.05 -0.05 -0.03 0.00 0.84 0.00 0.00 57.88 58.69 2k3s h LEU 10 Cb 0.78 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.76 2k3s h LEU 10 CO 0.06 0.10 0.28 -0.08 -0.34 0.00 0.00 178.44 178.46 2k3s h GLU 11 N 0.03 0.90 -0.18 1.25 4.22 -0.62 0.21 114.58 120.39 2k3s h GLU 11 Ca 0.02 -0.14 0.04 0.00 0.08 0.00 0.00 59.36 59.35 2k3s h GLU 11 Cb 0.04 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.10 2k3s h GLU 11 CO -0.00 0.73 -0.03 2.35 -2.18 0.00 0.00 179.01 179.87 2k3s h TRP 12 N 0.85 -0.08 -0.22 0.92 7.01 -1.11 -0.76 115.95 122.56 2k3s h TRP 12 Ca 0.21 0.02 -0.16 0.00 2.11 0.00 0.00 58.89 61.07 2k3s h TRP 12 Cb 0.14 0.06 -0.01 0.00 -2.10 0.00 0.00 29.16 27.26 2k3s h TRP 12 CO 0.00 -0.07 -0.52 0.00 -2.79 0.00 0.00 178.44 175.07 2k3s h ARG 14 N 0.49 0.63 -0.62 0.00 9.65 -0.08 -0.83 114.38 123.63 2k3s h ARG 14 Ca 0.02 -0.04 -0.03 0.00 -1.10 0.00 0.00 59.98 58.83 2k3s h ARG 14 Cb 1.07 -0.14 -0.03 0.00 -1.39 0.00 0.00 29.97 29.48 2k3s h ARG 14 CO 0.10 0.42 0.25 0.00 2.80 0.00 0.00 179.97 183.54 2k3s h ALA 15 N 1.66 1.28 0.00 2.80 0.00 -1.03 -2.09 119.26 121.89 2k3s h ALA 15 Ca 0.24 -0.16 -0.10 0.00 0.00 0.00 0.00 54.91 54.89 2k3s h ALA 15 Cb 0.16 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 2k3s h ALA 15 CO -0.07 0.54 -0.50 0.52 0.00 0.00 0.00 179.25 179.74 2k3s h MET 16 N 0.89 0.00 0.00 0.00 2.86 -1.25 -3.09 114.93 114.33 2k3s h MET 16 Ca 0.21 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.82 2k3s h MET 16 Cb 0.16 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.82 2k3s h MET 16 CO -0.02 0.50 -0.16 1.15 1.06 0.00 0.00 176.91 179.43 2k3s h THR 17 N 0.00 0.75 0.00 2.22 2.02 -0.52 -1.73 112.91 115.65 2k3s h THR 17 Ca -0.00 -0.66 0.00 0.00 0.77 0.00 0.00 66.41 66.52 2k3s h THR 17 Cb 1.27 1.40 0.00 0.00 -1.74 0.00 0.00 68.15 69.08 2k3s h THR 17 CO 0.06 0.16 0.00 0.54 0.37 0.00 0.00 175.52 176.66 2k3s n ARG 18 N -3.81 0.43 -0.00 6.66 1.74 -1.13 -2.32 116.66 118.22 2k3s n ARG 18 Ca -0.02 0.06 0.09 0.00 -0.77 0.00 0.00 57.85 57.21 2k3s n ARG 18 Cb 0.27 -1.50 -0.11 0.00 -1.02 0.00 0.00 32.46 30.09 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 -1.19 0.85 -3.50 0.55 5.03 -0.65 -4.99 115.26 111.36 2k3s n ASN 19 Ca 0.12 -0.83 -0.12 0.00 0.87 0.00 0.00 54.58 54.63 2k3s n ASN 19 Cb 0.14 1.11 0.02 0.00 -1.02 0.00 0.00 39.78 40.03 2k3s n ASN 19 CO 0.00 0.00 0.00 -1.22 -1.83 0.00 0.00 177.26 174.21 2k3s n TYR 20 N -1.53 -1.92 -4.16 3.10 4.01 -0.98 -5.14 117.16 110.53 2k3s n TYR 20 Ca 0.03 -1.14 -0.15 0.00 -0.16 0.00 0.00 57.90 56.47 2k3s n TYR 20 Cb 0.32 -0.26 -0.13 0.00 -0.31 0.00 0.00 39.34 38.96 2k3s n TYR 20 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 2k3s s GLU 21 N -3.27 0.52 -1.21 -0.72 0.41 -1.26 -4.78 118.70 108.39 2k3s s GLU 21 Ca 0.25 -0.44 0.00 0.00 -0.41 0.00 0.00 54.97 54.37 2k3s s GLU 21 Cb -0.02 -0.44 0.00 0.00 -1.78 0.00 0.00 34.13 31.89 2k3s s GLU 21 CO 0.16 0.11 0.00 1.58 -0.49 0.00 0.00 175.26 176.61 2k3s n HIS 22 N 2.36 0.00 -4.49 1.61 -0.00 -1.26 -4.99 115.22 108.45 2k3s n HIS 22 Ca -0.17 0.00 -0.28 0.00 0.46 0.00 0.00 57.72 57.74 2k3s n HIS 22 Cb 0.57 -2.19 -0.17 0.00 -0.12 0.00 0.00 29.99 28.08 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 -2.37 1.44 -0.12 3.57 1.01 -1.26 -5.10 120.40 117.57 2k3s s VAL 23 Ca 0.00 -0.61 -0.04 0.00 0.00 0.00 0.00 61.98 61.33 2k3s s VAL 23 Cb 0.00 -1.31 0.05 0.00 0.00 0.00 0.00 36.38 35.12 2k3s s VAL 23 CO 0.00 0.43 0.10 -0.62 0.00 0.00 0.00 175.10 175.01 2k3s s ASP 24 N 0.93 1.66 -0.39 3.32 2.15 -1.26 -4.91 116.67 118.17 2k3s s ASP 24 Ca -0.08 -0.23 -0.15 0.00 0.43 0.00 0.00 52.55 52.52 2k3s s ASP 24 Cb -0.15 -0.08 0.01 0.00 -0.30 0.00 0.00 42.92 42.40 2k3s s ASP 24 CO -0.00 -0.30 0.31 -0.63 -0.17 0.00 0.00 175.17 174.37 2k3s s ILE 25 N 2.19 5.23 -0.20 4.11 1.01 -1.26 -4.71 121.20 127.57 2k3s s ILE 25 Ca 0.04 -0.43 -0.06 0.00 0.00 0.00 0.00 60.65 60.20 2k3s s ILE 25 Cb -0.14 -3.88 -0.20 0.00 0.01 0.00 0.00 42.46 38.25 2k3s s ILE 25 CO -0.07 -0.23 0.03 0.00 0.00 0.00 0.00 174.94 174.67 2k3s n GLN 26 N 5.23 0.68 -2.97 2.79 3.00 -1.26 -4.96 117.38 119.88 2k3s n GLN 26 Ca -0.11 0.25 -0.07 0.00 -0.01 0.00 0.00 57.00 57.06 2k3s n GLN 26 Cb 0.48 -1.61 0.01 0.00 0.00 0.00 0.00 30.24 29.12 2k3s n GLN 26 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.06 175.35 2k3s n ASN 27 N -3.59 -1.43 -3.16 1.08 2.85 -1.26 -5.05 115.26 104.70 2k3s n ASN 27 Ca -0.40 -2.14 -0.36 0.00 -0.11 0.00 0.00 54.58 51.57 2k3s n ASN 27 Cb 0.97 2.42 -0.02 0.00 1.24 0.00 0.00 39.78 44.39 2k3s n ASN 27 CO 0.00 0.00 0.00 0.49 -2.11 0.00 0.00 177.26 175.64 2k3s n PHE 28 N -0.37 2.28 0.00 1.20 3.72 -1.26 -4.21 117.46 118.81 2k3s n PHE 28 Ca -0.05 -2.52 0.00 0.00 -0.05 0.00 0.00 57.45 54.83 2k3s n PHE 28 Cb 0.41 -1.66 0.00 0.00 -0.94 0.00 0.00 39.48 37.29 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 1.36 0.00 -0.12 4.37 3.41 -1.26 -3.50 113.62 117.88 2k3s n SER 29 Ca 0.57 0.00 0.07 0.00 -0.26 0.00 0.00 58.87 59.26 2k3s n SER 29 Cb 0.35 0.00 0.40 0.00 -0.26 0.00 0.00 64.21 64.70 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 0.55 0.48 4.04 0.02 -1.89 -0.31 113.55 116.45 2k3s h SER 30 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2k3s h SER 30 Cb 0.00 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.42 2k3s h SER 30 CO 0.00 0.36 0.00 -1.20 -1.14 0.00 0.00 176.83 174.85 2k3s n SER 31 N -4.48 0.58 -0.70 3.07 7.64 -1.26 -1.70 113.62 116.77 2k3s n SER 31 Ca 0.09 0.68 0.07 0.00 1.01 0.00 0.00 58.87 60.72 2k3s n SER 31 Cb 0.23 -0.79 0.12 0.00 -1.01 0.00 0.00 64.21 62.77 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 -2.18 0.25 0.42 1.43 7.02 -0.14 -4.40 117.44 119.84 2k3s n TRP 32 Ca 0.01 -0.20 0.13 0.00 -1.02 0.00 0.00 57.50 56.42 2k3s n TRP 32 Cb 0.16 -0.01 0.49 0.00 -2.42 0.00 0.00 31.31 29.54 2k3s n TRP 32 CO 0.00 0.00 0.00 0.77 -2.02 0.00 0.00 177.69 176.44 2k3s h SER 33 N 2.82 0.00 0.91 -0.99 0.02 -1.20 -2.47 113.55 112.63 2k3s h SER 33 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2k3s h SER 33 Cb 0.70 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.24 2k3s h SER 33 CO 0.00 0.00 -0.74 0.77 -1.14 0.00 0.00 176.83 175.72 2k3s h SER 34 N 0.00 0.00 0.00 3.07 4.64 -1.77 -3.48 113.55 116.01 2k3s h SER 34 Ca 0.00 -0.16 0.00 0.00 -0.47 0.00 0.00 61.79 61.16 2k3s h SER 34 Cb 0.49 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.58 2k3s h SER 34 CO 0.00 0.08 0.00 0.61 -0.87 0.00 0.00 176.83 176.65 2k3s n GLY 35 N 1.29 1.69 0.39 -0.77 0.00 -0.93 -4.79 105.19 102.06 2k3s n GLY 35 Ca 0.02 -0.09 0.25 0.00 0.00 0.00 0.00 46.02 46.20 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 0.34 -0.79 1.61 2.86 -1.90 0.34 114.93 117.39 2k3s h MET 36 Ca 0.00 -0.02 0.15 0.00 -2.06 0.00 0.00 59.70 57.77 2k3s h MET 36 Cb 0.00 -0.08 -0.05 0.00 0.06 0.00 0.00 31.60 31.53 2k3s h MET 36 CO 0.00 0.23 0.53 0.00 1.06 0.00 0.00 176.91 178.72 2k3s h ALA 37 N 1.68 2.07 0.21 6.32 0.00 -1.87 0.15 119.26 127.83 2k3s h ALA 37 Ca 0.68 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.58 2k3s h ALA 37 Cb 1.70 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.42 2k3s h ALA 37 CO -0.42 -0.29 -0.10 0.74 0.00 0.00 0.00 179.25 179.18 2k3s h PHE 38 N 0.46 -0.26 -0.25 0.00 0.04 -1.29 -2.82 116.94 112.81 2k3s h PHE 38 Ca 0.39 -0.01 -0.03 0.00 2.80 0.00 0.00 57.97 61.12 2k3s h PHE 38 Cb 0.85 0.09 -0.01 0.00 2.20 0.00 0.00 35.95 39.08 2k3s h PHE 38 CO -0.00 0.12 0.01 0.00 -0.60 0.00 0.00 178.31 177.84 2k3s h ALA 40 N 1.66 0.48 -0.25 0.00 0.00 -0.72 0.25 119.26 120.68 2k3s h ALA 40 Ca 0.09 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 2k3s h ALA 40 Cb 0.23 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 2k3s h ALA 40 CO 0.00 -0.03 -0.02 1.25 0.00 0.00 0.00 179.25 180.46 2k3s h LEU 41 N 0.50 0.46 -0.58 0.00 5.85 -1.20 -2.21 115.31 118.12 2k3s h LEU 41 Ca 0.14 -0.33 -0.02 0.00 0.84 0.00 0.00 57.88 58.51 2k3s h LEU 41 Cb -0.00 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 40.88 2k3s h LEU 41 CO -0.03 0.68 0.27 0.40 -0.34 0.00 0.00 178.44 179.42 2k3s h ILE 42 N 0.23 1.21 -0.04 4.05 1.08 -1.18 -2.42 117.51 120.43 2k3s h ILE 42 Ca 0.07 -0.60 -0.03 0.00 -0.39 0.00 0.00 64.86 63.91 2k3s h ILE 42 Cb 0.45 0.54 -0.01 0.00 -3.07 0.00 0.00 36.82 34.74 2k3s h ILE 42 CO 0.02 0.24 -0.13 -0.74 -0.69 0.00 0.00 178.15 176.84 2k3s h HIS 43 N 0.79 0.06 -0.40 1.37 2.76 -0.43 0.36 115.15 119.65 2k3s h HIS 43 Ca 0.20 -0.00 -0.12 0.00 -2.20 0.00 0.00 60.37 58.25 2k3s h HIS 43 Cb 0.13 -0.02 -0.01 0.00 1.55 0.00 0.00 27.41 29.06 2k3s h HIS 43 CO -0.00 0.20 -0.21 -0.22 -1.30 0.00 0.00 177.93 176.40 2k3s h LYS 44 N 0.06 0.84 0.11 5.26 3.11 -0.90 -3.20 116.57 121.85 2k3s h LYS 44 Ca 0.01 -0.38 -0.30 0.00 -2.81 0.00 0.00 60.65 57.17 2k3s h LYS 44 Cb 0.28 -0.02 -0.01 0.00 -1.00 0.00 0.00 32.23 31.48 2k3s h LYS 44 CO 0.02 1.01 -1.52 0.74 -2.81 0.00 0.00 179.45 176.90 2k3s h PHE 45 N 0.66 0.43 -3.40 1.91 0.04 -1.24 -3.42 116.94 111.91 2k3s h PHE 45 Ca 0.09 -0.32 -0.64 0.00 2.80 0.00 0.00 57.97 59.90 2k3s h PHE 45 Cb 0.77 -0.02 -0.41 0.00 2.20 0.00 0.00 35.95 38.50 2k3s h PHE 45 CO 0.06 1.36 -0.68 -0.06 -0.60 0.00 0.00 178.31 178.39 2k3s s PHE 46 N -2.62 3.10 -0.65 -0.55 0.08 0.12 -4.93 117.98 112.54 2k3s s PHE 46 Ca -0.09 -2.94 0.23 0.00 0.12 0.00 0.00 56.93 54.25 2k3s s PHE 46 Cb 0.07 -2.66 0.91 0.00 -0.57 0.00 0.00 43.02 40.76 2k3s s PHE 46 CO 0.85 -0.81 1.70 -2.30 -0.10 0.00 0.00 175.22 174.56 2k3s n PRO 47 N 3.60 0.17 0.00 0.24 -0.02 -1.21 -2.05 135.00 135.73 2k3s n PRO 47 Ca 0.05 0.33 0.13 0.00 -2.02 0.00 0.00 63.50 61.98 2k3s n PRO 47 Cb 0.36 -1.78 0.32 0.00 -0.02 0.00 0.00 33.50 32.38 2k3s n PRO 47 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2k3s n GLU 48 N -2.08 1.56 0.27 -0.52 -0.58 -1.26 -4.38 120.64 113.64 2k3s n GLU 48 Ca 0.03 -1.07 -0.11 0.00 -0.42 0.00 0.00 57.16 55.59 2k3s n GLU 48 Cb 0.27 -1.48 -0.05 0.00 -0.57 0.00 0.00 31.44 29.61 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 4.21 -0.79 -2.41 0.62 0.00 -1.77 -3.49 119.26 115.63 2k3s h ALA 49 Ca 0.00 -0.16 0.12 0.00 0.00 0.00 0.00 54.91 54.87 2k3s h ALA 49 Cb 0.65 0.28 -0.11 0.00 0.00 0.00 0.00 17.79 18.61 2k3s h ALA 49 CO 0.00 -0.74 0.45 -0.59 0.00 0.00 0.00 179.25 178.37 2k3s s PHE 50 N -3.98 -0.26 -0.37 0.00 -0.12 -1.26 -5.08 117.98 106.90 2k3s s PHE 50 Ca -0.11 0.03 -0.22 0.00 -0.05 0.00 0.00 56.93 56.59 2k3s s PHE 50 Cb 0.01 0.59 0.01 0.00 -0.63 0.00 0.00 43.02 43.00 2k3s s PHE 50 CO 0.32 -0.73 0.73 0.34 -0.05 0.00 0.00 175.22 175.83 2k3s s ASP 51 N -2.72 6.48 0.51 1.98 2.15 -1.26 -4.92 116.67 118.90 2k3s s ASP 51 Ca 0.08 0.20 0.27 0.00 0.43 0.00 0.00 52.55 53.53 2k3s s ASP 51 Cb -0.01 -2.37 1.38 0.00 -0.30 0.00 0.00 42.92 41.62 2k3s s ASP 51 CO -0.04 -0.71 2.04 0.22 -0.17 0.00 0.00 175.17 176.51 2k3s h TYR 52 N 8.55 0.00 0.00 -5.34 3.20 -1.96 -2.38 116.97 119.05 2k3s h TYR 52 Ca -0.25 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.60 2k3s h TYR 52 Cb 1.10 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 39.37 2k3s h TYR 52 CO 0.78 0.13 -0.08 0.00 -1.64 0.00 0.00 178.16 177.35 2k3s h ALA 53 N 1.87 1.00 -0.26 1.82 0.00 -2.04 -2.55 119.26 119.10 2k3s h ALA 53 Ca -0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2k3s h ALA 53 Cb 0.40 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.18 2k3s h ALA 53 CO 0.02 0.10 0.00 -1.91 0.00 0.00 0.00 179.25 177.46 2k3s n GLU 54 N -3.19 2.12 -3.33 0.00 2.13 -0.89 -4.86 120.64 112.62 2k3s n GLU 54 Ca 0.01 -1.69 -0.38 0.00 0.66 0.00 0.00 57.16 55.76 2k3s n GLU 54 Cb 0.39 -1.45 -0.07 0.00 0.27 0.00 0.00 31.44 30.57 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 -1.56 4.17 0.12 4.31 1.43 -0.96 -5.07 118.68 121.11 2k3s s LEU 55 Ca 0.35 0.61 0.09 0.00 -1.03 0.00 0.00 54.13 54.15 2k3s s LEU 55 Cb 0.20 -2.60 -0.04 0.00 0.03 0.00 0.00 46.19 43.78 2k3s s LEU 55 CO 0.29 -0.10 -0.18 -1.81 0.23 0.00 0.00 176.35 174.78 2k3s s ASP 56 N 1.01 3.90 0.61 2.29 1.11 -1.26 -5.01 116.67 119.32 2k3s s ASP 56 Ca 0.22 -0.57 0.36 0.00 0.18 0.00 0.00 52.55 52.74 2k3s s ASP 56 Cb -0.15 -0.55 1.97 0.00 1.07 0.00 0.00 42.92 45.26 2k3s s ASP 56 CO 0.09 0.17 2.25 1.55 1.18 0.00 0.00 175.17 180.41 2k3s h PRO 57 N 3.67 0.00 0.00 8.23 0.13 -1.98 -0.42 132.00 141.64 2k3s h PRO 57 Ca -0.50 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.62 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 0.46 0.02 -0.07 0.00 -0.23 0.00 0.00 178.00 178.19 2k3s h ALA 58 N 1.98 1.00 -0.93 -0.56 0.00 -1.96 -3.15 119.26 115.64 2k3s h ALA 58 Ca -0.00 -0.06 -0.72 0.00 0.00 0.00 0.00 54.91 54.12 2k3s h ALA 58 Cb 0.11 -0.01 -0.25 0.00 0.00 0.00 0.00 17.79 17.64 2k3s h ALA 58 CO 0.00 0.09 0.97 1.63 0.00 0.00 0.00 179.25 181.94 2k3s n LYS 59 N -3.18 2.93 -0.07 0.00 5.02 -0.17 -4.72 118.16 117.97 2k3s n LYS 59 Ca 0.01 -3.39 -0.10 0.00 -2.02 0.00 0.00 58.31 52.81 2k3s n LYS 59 Cb 0.37 -2.27 -0.03 0.00 -0.02 0.00 0.00 35.03 33.08 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 3.12 0.35 -0.49 1.97 2.43 -1.72 0.21 114.38 120.26 2k3s h ARG 60 Ca 0.54 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.65 2k3s h ARG 60 Cb 0.18 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.64 2k3s h ARG 60 CO 1.32 0.35 0.26 -0.09 -1.51 0.00 0.00 179.97 180.29 2k3s h ARG 61 N 0.27 0.68 -0.33 0.20 2.43 -1.91 -2.00 114.38 113.72 2k3s h ARG 61 Ca 0.08 -0.09 -0.08 0.00 -0.81 0.00 0.00 59.98 59.09 2k3s h ARG 61 Cb 0.11 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.51 2k3s h ARG 61 CO -0.01 0.55 -0.12 0.45 -1.51 0.00 0.00 179.97 179.33 2k3s h HIS 62 N 0.64 0.61 0.01 2.20 3.86 -1.89 -1.51 115.15 119.07 2k3s h HIS 62 Ca 0.17 -0.10 -0.00 0.00 -1.16 0.00 0.00 60.37 59.28 2k3s h HIS 62 Cb 0.07 -0.16 0.00 0.00 1.06 0.00 0.00 27.41 28.38 2k3s h HIS 62 CO -0.01 0.67 -0.01 -0.97 0.86 0.00 0.00 177.93 178.47 2k3s h ASN 63 N 0.52 -0.01 -0.46 2.45 -0.73 -0.06 0.23 115.58 117.52 2k3s h ASN 63 Ca 0.10 -0.00 -0.03 0.00 1.87 0.00 0.00 56.30 58.23 2k3s h ASN 63 Cb 0.51 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 39.09 2k3s h ASN 63 CO 0.03 -0.00 0.18 -0.26 -0.37 0.00 0.00 177.43 177.00 2k3s h PHE 64 N -0.02 0.71 0.36 0.67 0.04 -1.20 -1.24 116.94 116.26 2k3s h PHE 64 Ca -0.00 -0.06 -0.02 0.00 2.80 0.00 0.00 57.97 60.69 2k3s h PHE 64 Cb 0.02 -0.21 0.00 0.00 2.20 0.00 0.00 35.95 37.96 2k3s h PHE 64 CO -0.08 0.61 -0.17 1.15 -0.60 0.00 0.00 178.31 179.22 2k3s h THR 65 N 0.60 0.65 -0.44 -1.55 2.02 -1.05 -1.29 112.91 111.85 2k3s h THR 65 Ca 0.15 -0.03 0.05 0.00 0.77 0.00 0.00 66.41 67.35 2k3s h THR 65 Cb 0.21 0.67 -0.05 0.00 -1.74 0.00 0.00 68.15 67.24 2k3s h THR 65 CO -0.01 0.01 0.18 0.25 0.37 0.00 0.00 175.52 176.31 2k3s h LEU 66 N -0.50 0.21 0.53 2.58 5.85 -0.49 0.84 115.31 124.32 2k3s h LEU 66 Ca -0.05 0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.69 2k3s h LEU 66 Cb 0.38 0.02 -0.00 0.00 0.37 0.00 0.00 40.66 41.42 2k3s h LEU 66 CO 0.08 0.15 -0.30 0.00 -0.34 0.00 0.00 178.44 178.04 2k3s h ALA 67 N 1.28 -0.78 -0.03 1.25 0.00 -1.10 -0.42 119.26 119.46 2k3s h ALA 67 Ca 0.20 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 2k3s h ALA 67 Cb 0.18 0.35 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 2k3s h ALA 67 CO -0.19 -0.95 0.02 0.74 0.00 0.00 0.00 179.25 178.87 2k3s h PHE 68 N -0.78 0.04 -0.70 0.00 0.04 -1.05 -0.21 116.94 114.28 2k3s h PHE 68 Ca -0.07 -0.00 0.01 0.00 2.80 0.00 0.00 57.97 60.71 2k3s h PHE 68 Cb 0.62 -0.01 -0.04 0.00 2.20 0.00 0.00 35.95 38.72 2k3s h PHE 68 CO -0.07 0.06 0.47 0.77 -0.60 0.00 0.00 178.31 178.93 2k3s h SER 69 N -0.00 0.80 -0.44 2.17 0.02 -0.83 0.13 113.55 115.40 2k3s h SER 69 Ca 0.01 -0.02 -0.14 0.00 -0.84 0.00 0.00 61.79 60.80 2k3s h SER 69 Cb 0.04 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.37 2k3s h SER 69 CO -0.00 0.58 -0.26 0.74 -1.14 0.00 0.00 176.83 176.75 2k3s h THR 70 N 0.95 1.27 -0.29 -2.27 2.02 -0.93 0.47 112.91 114.13 2k3s h THR 70 Ca 0.26 -1.43 -0.06 0.00 0.77 0.00 0.00 66.41 65.95 2k3s h THR 70 Cb -0.10 1.22 -0.02 0.00 -1.74 0.00 0.00 68.15 67.51 2k3s h THR 70 CO -0.06 0.49 -0.09 0.00 0.37 0.00 0.00 175.52 176.23 2k3s h ALA 71 N 0.83 1.31 -0.09 6.16 0.00 -0.68 0.32 119.26 127.11 2k3s h ALA 71 Ca 0.09 -0.24 -0.19 0.00 0.00 0.00 0.00 54.91 54.57 2k3s h ALA 71 Cb 0.85 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 18.52 2k3s h ALA 71 CO 0.07 0.46 -0.68 1.49 0.00 0.00 0.00 179.25 180.60 2k3s h GLU 72 N 0.44 0.62 -0.13 0.00 4.81 -0.76 0.47 114.58 120.03 2k3s h GLU 72 Ca 0.09 -0.55 -0.13 0.00 -0.13 0.00 0.00 59.36 58.64 2k3s h GLU 72 Cb 0.44 0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.95 2k3s h GLU 72 CO 0.02 1.17 -0.41 -0.22 -0.73 0.00 0.00 179.01 178.84 2k3s h LYS 73 N 0.26 0.51 0.00 1.92 3.64 -0.58 -1.97 116.57 120.35 2k3s h LYS 73 Ca -0.06 -0.37 -0.27 0.00 -1.27 0.00 0.00 60.65 58.67 2k3s h LYS 73 Cb 1.33 0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 33.17 2k3s h LYS 73 CO 0.14 0.99 -2.05 1.28 -2.27 0.00 0.00 179.45 177.55 2k3s n LEU 74 N -4.29 0.31 -0.14 5.20 4.77 0.11 -4.50 117.00 118.45 2k3s n LEU 74 Ca -0.07 0.14 0.02 0.00 -0.03 0.00 0.00 56.01 56.07 2k3s n LEU 74 Cb 0.54 0.30 0.01 0.00 -2.33 0.00 0.00 43.42 41.95 2k3s n LEU 74 CO 0.45 0.36 0.31 0.00 -1.33 0.00 0.00 177.39 177.17 2k3s n ALA 75 N -2.59 2.49 -4.23 -1.18 0.00 -0.00 -5.01 120.51 109.97 2k3s n ALA 75 Ca -0.22 -0.53 -0.35 0.00 0.00 0.00 0.00 53.44 52.34 2k3s n ALA 75 Cb 1.01 -0.12 -0.04 0.00 0.00 0.00 0.00 19.45 20.30 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 -2.06 -4.87 0.00 5.75 -0.26 -4.91 116.55 110.39 2k3s n ASP 76 Ca 0.02 -1.08 -0.31 0.00 -0.01 0.00 0.00 54.79 53.41 2k3s n ASP 76 Cb 0.09 -2.51 -0.04 0.00 -1.03 0.00 0.00 41.12 37.63 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 -2.30 3.13 -0.78 0.00 0.00 -1.26 -4.54 121.76 116.01 2k3s s ALA 78 Ca 0.53 0.65 -0.11 0.00 0.00 0.00 0.00 51.96 53.03 2k3s s ALA 78 Cb -0.10 -3.25 0.21 0.00 0.00 0.00 0.00 23.12 19.98 2k3s s ALA 78 CO 0.28 -0.10 0.69 -0.65 0.00 0.00 0.00 175.76 175.98 2k3s s GLN 79 N -2.38 3.36 0.12 0.00 -0.21 -1.26 -4.84 119.66 114.45 2k3s s GLN 79 Ca 0.56 -2.51 0.27 0.00 0.02 0.00 0.00 55.36 53.70 2k3s s GLN 79 Cb -0.21 -4.25 0.86 0.00 1.00 0.00 0.00 33.01 30.41 2k3s s GLN 79 CO 0.27 -1.26 1.74 1.28 -2.12 0.00 0.00 175.29 175.19 2k3s n LEU 80 N 3.80 0.53 -4.27 2.90 4.32 -1.26 -4.76 117.00 118.26 2k3s n LEU 80 Ca 0.13 0.47 -0.29 0.00 -0.02 0.00 0.00 56.01 56.29 2k3s n LEU 80 Cb 0.44 -0.35 -0.16 0.00 -1.62 0.00 0.00 43.42 41.74 2k3s n LEU 80 CO 0.33 -0.09 -0.55 -0.76 -1.22 0.00 0.00 177.39 175.11 2k3s s LEU 81 N -3.91 2.05 -0.02 2.23 1.43 -1.26 -5.07 118.68 114.13 2k3s s LEU 81 Ca 0.11 -0.43 0.03 0.00 -1.03 0.00 0.00 54.13 52.81 2k3s s LEU 81 Cb 0.15 -1.20 -0.03 0.00 0.03 0.00 0.00 46.19 45.14 2k3s s LEU 81 CO 0.60 0.28 -0.09 -1.61 0.23 0.00 0.00 176.35 175.76 2k3s s GLU 82 N -0.59 2.55 0.17 1.70 2.02 -1.26 -5.03 118.70 118.26 2k3s s GLU 82 Ca 0.09 -0.69 -0.16 0.00 0.02 0.00 0.00 54.97 54.23 2k3s s GLU 82 Cb -0.09 -2.47 0.12 0.00 0.10 0.00 0.00 34.13 31.79 2k3s s GLU 82 CO -0.01 0.62 1.68 0.28 0.02 0.00 0.00 175.26 177.85 2k3s h VAL 83 N 4.03 0.63 -0.85 2.63 2.07 -1.96 0.09 116.25 122.89 2k3s h VAL 83 Ca -0.48 -0.02 0.03 0.00 0.82 0.00 0.00 66.70 67.05 2k3s h VAL 83 Cb 1.16 0.57 -0.05 0.00 -1.52 0.00 0.00 31.29 31.46 2k3s h VAL 83 CO 0.52 0.01 0.56 0.44 0.02 0.00 0.00 177.57 179.12 2k3s h ASP 84 N 0.05 0.91 0.68 0.57 3.32 -1.96 -1.56 116.42 118.44 2k3s h ASP 84 Ca 0.21 -0.01 -0.27 0.00 0.02 0.00 0.00 57.03 56.98 2k3s h ASP 84 Cb 0.31 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.64 2k3s h ASP 84 CO -0.39 0.63 -1.25 -2.24 -1.72 0.00 0.00 179.24 174.27 2k3s h ASP 85 N 1.06 0.30 -0.29 6.45 3.04 -1.84 -3.07 116.42 122.08 2k3s h ASP 85 Ca 0.33 -0.35 -0.03 0.00 -3.24 0.00 0.00 57.03 53.74 2k3s h ASP 85 Cb 0.01 -0.10 -0.01 0.00 -1.04 0.00 0.00 39.33 38.19 2k3s h ASP 85 CO -0.10 1.28 0.05 0.24 -2.04 0.00 0.00 179.24 178.67 2k3s h MET 86 N 0.05 0.48 0.00 4.15 2.86 -0.61 0.28 114.93 122.14 2k3s h MET 86 Ca -0.13 -0.13 -0.05 0.00 -2.06 0.00 0.00 59.70 57.33 2k3s h MET 86 Cb 1.93 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 33.53 2k3s h MET 86 CO 0.17 0.58 -0.24 0.28 1.06 0.00 0.00 176.91 178.76 2k3s h VAL 87 N 0.30 0.72 0.01 -2.22 2.07 -1.41 -0.19 116.25 115.53 2k3s h VAL 87 Ca 0.09 -1.04 -0.06 0.00 0.82 0.00 0.00 66.70 66.51 2k3s h VAL 87 Cb 0.33 1.66 -0.00 0.00 -1.52 0.00 0.00 31.29 31.76 2k3s h VAL 87 CO 0.01 0.24 -0.31 -0.09 0.02 0.00 0.00 177.57 177.43 2k3s h ARG 88 N 0.00 0.03 -0.28 1.57 2.43 -1.37 -3.37 114.38 113.39 2k3s h ARG 88 Ca -0.00 -0.05 -0.19 0.00 -0.81 0.00 0.00 59.98 58.93 2k3s h ARG 88 Cb 0.64 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.21 2k3s h ARG 88 CO 0.03 1.02 -0.56 -0.07 -1.51 0.00 0.00 179.97 178.88 2k3s h LEU 89 N -0.94 0.97 0.00 3.80 3.38 -0.44 -3.47 115.31 118.61 2k3s h LEU 89 Ca -0.08 -0.53 0.00 0.00 0.09 0.00 0.00 57.88 57.37 2k3s h LEU 89 Cb 1.12 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.59 2k3s h LEU 89 CO -0.02 1.33 0.00 0.00 0.09 0.00 0.00 178.44 179.83 2k3s n ALA 90 N -2.57 0.00 -2.76 1.53 0.00 -0.09 -4.85 120.51 111.78 2k3s n ALA 90 Ca -0.04 0.00 -0.44 0.00 0.00 0.00 0.00 53.44 52.96 2k3s n ALA 90 Cb 0.64 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 20.01 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 5.15 0.69 0.00 1.01 -1.26 -4.06 120.40 121.92 2k3s s VAL 91 Ca 0.00 -0.82 -0.12 0.00 0.00 0.00 0.00 61.98 61.04 2k3s s VAL 91 Cb 0.00 -4.13 0.01 0.00 0.00 0.00 0.00 36.38 32.26 2k3s s VAL 91 CO 0.00 -0.58 1.08 -2.84 0.00 0.00 0.00 175.10 172.76 2k3s s PRO 92 N 1.91 2.77 -0.02 2.72 0.02 -1.26 -5.03 135.00 136.11 2k3s s PRO 92 Ca 0.07 1.16 -0.23 0.00 0.02 0.00 0.00 61.00 62.02 2k3s s PRO 92 Cb -0.22 -1.96 -0.05 0.00 0.02 0.00 0.00 34.50 32.30 2k3s s PRO 92 CO 0.09 -1.24 0.68 -0.51 -0.33 0.00 0.00 177.00 175.69 2k3s s ASP 93 N -3.23 7.03 0.31 2.53 1.01 -1.26 -4.57 116.67 118.50 2k3s s ASP 93 Ca 0.62 1.24 0.02 0.00 0.71 0.00 0.00 52.55 55.13 2k3s s ASP 93 Cb -0.17 -2.41 0.57 0.00 1.01 0.00 0.00 42.92 41.93 2k3s s ASP 93 CO 0.49 -0.02 1.92 0.28 0.21 0.00 0.00 175.17 178.05 2k3s h SER 94 N 6.19 0.85 0.04 0.27 0.02 -1.96 -0.31 113.55 118.65 2k3s h SER 94 Ca -0.43 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.53 2k3s h SER 94 Cb 1.20 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 63.56 2k3s h SER 94 CO 0.73 0.55 -0.02 0.50 -1.14 0.00 0.00 176.83 177.45 2k3s h LYS 95 N 0.97 -0.05 -0.55 3.45 3.64 -1.93 -2.24 116.57 119.87 2k3s h LYS 95 Ca 0.37 0.00 0.05 0.00 -1.27 0.00 0.00 60.65 59.81 2k3s h LYS 95 Cb 0.20 0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 31.99 2k3s h LYS 95 CO -0.13 0.50 0.28 0.00 -2.27 0.00 0.00 179.45 177.82 2k3s h VAL 97 N 0.53 1.24 -0.11 0.00 2.07 -1.14 -1.99 116.25 116.86 2k3s h VAL 97 Ca 0.25 -0.87 -0.00 0.00 0.82 0.00 0.00 66.70 66.90 2k3s h VAL 97 Cb 0.16 0.84 -0.01 0.00 -1.52 0.00 0.00 31.29 30.77 2k3s h VAL 97 CO -0.18 0.31 0.06 0.22 0.02 0.00 0.00 177.57 178.01 2k3s h TYR 98 N 0.70 0.15 -0.62 1.57 5.03 -0.75 -1.22 116.97 121.83 2k3s h TYR 98 Ca 0.16 -0.00 0.01 0.00 2.58 0.00 0.00 58.73 61.47 2k3s h TYR 98 Cb 0.35 -0.05 -0.03 0.00 1.55 0.00 0.00 36.73 38.55 2k3s h TYR 98 CO 0.02 0.16 0.41 1.15 -1.32 0.00 0.00 178.16 178.59 2k3s h THR 99 N 0.09 1.16 -0.03 1.81 2.02 -0.54 0.50 112.91 117.91 2k3s h THR 99 Ca 0.04 -0.29 -0.00 0.00 0.77 0.00 0.00 66.41 66.92 2k3s h THR 99 Cb 0.06 0.25 -0.00 0.00 -1.74 0.00 0.00 68.15 66.72 2k3s h THR 99 CO -0.01 0.15 0.00 0.22 0.37 0.00 0.00 175.52 176.26 2k3s h TYR 100 N 0.84 0.06 -0.15 3.16 3.20 -0.97 -2.18 116.97 120.93 2k3s h TYR 100 Ca 0.23 -0.01 -0.08 0.00 3.14 0.00 0.00 58.73 62.00 2k3s h TYR 100 Cb -0.10 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.14 2k3s h TYR 100 CO 0.00 0.32 -0.28 0.82 -1.64 0.00 0.00 178.16 177.39 2k3s h ILE 101 N -0.22 1.25 0.51 1.81 1.08 -0.74 -1.88 117.51 119.32 2k3s h ILE 101 Ca 0.01 -1.20 -0.02 0.00 -0.39 0.00 0.00 64.86 63.26 2k3s h ILE 101 Cb 0.30 1.45 -0.01 0.00 -3.07 0.00 0.00 36.82 35.49 2k3s h ILE 101 CO 0.00 0.37 -0.35 -0.61 -0.69 0.00 0.00 178.15 176.87 2k3s h GLN 102 N 0.25 -0.79 -0.37 2.37 4.15 0.18 0.53 115.11 121.42 2k3s h GLN 102 Ca 0.04 0.05 -0.09 0.00 0.77 0.00 0.00 58.65 59.42 2k3s h GLN 102 Cb 0.62 0.18 -0.02 0.00 0.21 0.00 0.00 27.48 28.48 2k3s h GLN 102 CO 0.04 -0.53 -0.13 0.93 -1.93 0.00 0.00 178.83 177.22 2k3s h GLU 103 N -0.82 0.66 -0.57 1.69 4.39 -1.36 -2.18 114.58 116.40 2k3s h GLU 103 Ca -0.06 -0.21 -0.05 0.00 0.34 0.00 0.00 59.36 59.38 2k3s h GLU 103 Cb 0.69 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 29.25 2k3s h GLU 103 CO 0.03 0.77 0.18 1.25 -1.16 0.00 0.00 179.01 180.08 2k3s h LEU 104 N 0.60 0.83 -0.77 1.33 5.85 -1.08 -2.34 115.31 119.74 2k3s h LEU 104 Ca 0.10 -0.21 0.03 0.00 0.84 0.00 0.00 57.88 58.65 2k3s h LEU 104 Cb 0.57 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 41.33 2k3s h LEU 104 CO 0.04 0.82 0.49 0.22 -0.34 0.00 0.00 178.44 179.66 2k3s h TYR 105 N 0.80 0.92 -0.04 1.25 3.20 0.41 0.15 116.97 123.67 2k3s h TYR 105 Ca 0.18 0.02 0.02 0.00 3.14 0.00 0.00 58.73 62.10 2k3s h TYR 105 Cb 0.28 -0.30 -0.03 0.00 1.54 0.00 0.00 36.73 38.22 2k3s h TYR 105 CO 0.02 0.53 -0.11 0.00 -1.64 0.00 0.00 178.16 176.96 2k3s h ARG 106 N 0.96 -0.17 -0.71 1.82 3.08 -1.01 0.11 114.38 118.46 2k3s h ARG 106 Ca 0.31 0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.34 2k3s h ARG 106 Cb 0.00 0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.06 2k3s h ARG 106 CO -0.11 -0.11 0.35 0.77 -1.07 0.00 0.00 179.97 179.81 2k3s h SER 107 N -0.17 0.92 -0.49 7.04 0.02 -0.90 -0.40 113.55 119.56 2k3s h SER 107 Ca 0.05 -0.12 -0.04 0.00 -0.84 0.00 0.00 61.79 60.84 2k3s h SER 107 Cb 0.25 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 62.52 2k3s h SER 107 CO -0.14 0.79 0.16 -0.07 -1.14 0.00 0.00 176.83 176.42 2k3s h LEU 108 N 0.99 0.76 -0.05 5.07 3.38 -0.22 -0.54 115.31 124.69 2k3s h LEU 108 Ca 0.25 -0.12 -0.09 0.00 0.09 0.00 0.00 57.88 58.00 2k3s h LEU 108 Cb 0.10 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.66 2k3s h LEU 108 CO -0.03 0.73 -0.31 0.58 0.09 0.00 0.00 178.44 179.50 2k3s h VAL 109 N 0.80 1.45 0.00 1.22 2.07 -0.35 0.18 116.25 121.61 2k3s h VAL 109 Ca 0.18 -1.77 -0.05 0.00 0.82 0.00 0.00 66.70 65.88 2k3s h VAL 109 Cb 0.26 2.42 -0.01 0.00 -1.52 0.00 0.00 31.29 32.44 2k3s h VAL 109 CO -0.01 0.50 -0.23 0.06 0.02 0.00 0.00 177.57 177.91 2k3s h GLN 110 N -0.23 0.00 -0.11 1.57 3.07 -0.96 -1.24 115.11 117.22 2k3s h GLN 110 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.72 2k3s h GLN 110 Cb 0.98 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.54 2k3s h GLN 110 CO 0.06 0.23 0.00 1.63 0.09 0.00 0.00 178.83 180.85 2k3s n LYS 111 N -3.92 1.55 -2.52 0.06 5.02 -0.22 -4.91 118.16 113.22 2k3s n LYS 111 Ca -0.02 -0.83 -0.18 0.00 -2.02 0.00 0.00 58.31 55.27 2k3s n LYS 111 Cb 0.32 -1.39 0.01 0.00 -0.02 0.00 0.00 35.03 33.94 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 1.07 -0.33 0.11 0.72 0.00 -0.47 -4.90 105.19 101.38 2k3s n GLY 112 Ca 0.16 -0.12 -0.13 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.78 1.40 0.12 0.99 4.77 0.58 -4.15 117.00 117.93 2k3s n LEU 113 Ca -0.17 0.21 -0.02 0.00 -0.03 0.00 0.00 56.01 56.01 2k3s n LEU 113 Cb 0.64 -0.22 0.23 0.00 -2.33 0.00 0.00 43.42 41.73 2k3s n LEU 113 CO 0.29 0.60 0.61 0.58 -1.33 0.00 0.00 177.39 178.14 2k3s h VAL 114 N 0.02 1.33 -0.31 4.08 2.07 -1.74 -3.23 116.25 118.48 2k3s h VAL 114 Ca -0.41 -1.63 -0.40 0.00 0.82 0.00 0.00 66.70 65.07 2k3s h VAL 114 Cb 2.05 1.80 -0.07 0.00 -1.52 0.00 0.00 31.29 33.55 2k3s h VAL 114 CO 0.05 0.48 0.94 0.29 0.02 0.00 0.00 177.57 179.35 2k3s n LYS 115 N -3.98 2.68 0.18 1.57 5.02 -1.26 -4.40 118.16 117.97 2k3s n LYS 115 Ca -0.02 -1.74 0.06 0.00 -2.02 0.00 0.00 58.31 54.59 2k3s n LYS 115 Cb 0.51 -2.26 0.26 0.00 -0.02 0.00 0.00 35.03 33.52 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 2.27 0.79 -3.51 -0.18 2.02 -1.81 -3.41 112.91 109.08 2k3s h THR 116 Ca 0.43 -1.66 -0.59 0.00 0.77 0.00 0.00 66.41 65.35 2k3s h THR 116 Cb 0.99 2.06 -0.38 0.00 -1.74 0.00 0.00 68.15 69.08 2k3s h THR 116 CO 0.81 0.37 -0.79 -0.75 0.37 0.00 0.00 175.52 175.53 2k3s s LYS 117 N -3.39 1.60 -0.23 6.66 2.20 -1.26 -5.10 119.74 120.22 2k3s s LYS 117 Ca 0.02 -0.83 -0.03 0.00 -0.36 0.00 0.00 55.97 54.77 2k3s s LYS 117 Cb 0.10 -2.42 0.01 0.00 -1.51 0.00 0.00 37.83 34.01 2k3s s LYS 117 CO 0.69 -0.54 -0.06 0.21 -0.36 0.00 0.00 175.35 175.30 2k3s s LYS 118 N 1.47 3.07 0.00 4.03 2.20 -1.26 -5.18 119.74 124.07 2k3s s LYS 118 Ca -0.03 -0.82 0.00 0.00 -0.36 0.00 0.00 55.97 54.75 2k3s s LYS 118 Cb -0.18 -2.98 0.00 0.00 -1.51 0.00 0.00 37.83 33.16 2k3s s LYS 118 CO -0.07 -0.31 0.00 1.17 -0.36 0.00 0.00 175.35 175.78