#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k3s n PRO 2 N 0.00 0.12 -1.24 1.61 -0.04 -1.26 -2.97 135.00 131.22 2k3s n PRO 2 Ca 0.00 0.14 -0.26 0.00 -0.04 0.00 0.00 63.50 63.34 2k3s n PRO 2 Cb 0.00 -1.50 0.15 0.00 -0.04 0.00 0.00 33.50 32.11 2k3s n PRO 2 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2k3s n LEU 3 N -1.41 6.95 -3.50 1.53 4.32 -1.26 -4.83 117.00 118.79 2k3s n LEU 3 Ca 0.07 -3.75 -0.16 0.00 -0.02 0.00 0.00 56.01 52.15 2k3s n LEU 3 Cb 0.19 -0.87 -0.12 0.00 -1.62 0.00 0.00 43.42 41.00 2k3s n LEU 3 CO 0.16 1.15 -0.16 -0.83 -1.22 0.00 0.00 177.39 176.49 2k3s s GLY 4 N -1.40 -0.10 0.49 -0.72 0.00 -1.16 -5.00 107.32 99.44 2k3s s GLY 4 Ca 0.58 0.52 0.17 0.00 0.00 0.00 0.00 44.72 45.99 2k3s s GLY 4 CO 0.08 2.20 2.08 1.48 0.00 0.00 0.00 173.10 178.94 2k3s h SER 5 N 8.28 0.00 0.31 1.64 4.64 -1.88 -1.65 113.55 124.90 2k3s h SER 5 Ca -0.17 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.11 2k3s h SER 5 Cb 1.14 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.23 2k3s h SER 5 CO 0.25 0.10 -0.19 0.50 -0.87 0.00 0.00 176.83 176.61 2k3s h LYS 6 N 0.00 0.00 -0.41 4.77 3.64 -1.95 -2.54 116.57 120.07 2k3s h LYS 6 Ca -0.00 0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 59.29 2k3s h LYS 6 Cb 0.18 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.98 2k3s h LYS 6 CO 0.01 0.19 -0.09 -0.97 -2.27 0.00 0.00 179.45 176.32 2k3s h ASN 7 N 0.00 0.71 0.14 4.20 -1.24 -1.60 -2.04 115.58 115.75 2k3s h ASN 7 Ca -0.00 -0.20 -0.01 0.00 0.71 0.00 0.00 56.30 56.80 2k3s h ASN 7 Cb 0.40 -0.19 0.00 0.00 0.73 0.00 0.00 38.32 39.26 2k3s h ASN 7 CO 0.02 0.84 -0.07 -0.03 -1.29 0.00 0.00 177.43 176.90 2k3s h MET 8 N 0.66 -0.18 -0.57 6.67 4.05 -1.54 -0.21 114.93 123.80 2k3s h MET 8 Ca 0.12 0.01 -0.03 0.00 -0.28 0.00 0.00 59.70 59.52 2k3s h MET 8 Cb 0.55 0.04 -0.03 0.00 -0.80 0.00 0.00 31.60 31.36 2k3s h MET 8 CO 0.03 -0.01 0.24 -0.07 0.23 0.00 0.00 176.91 177.33 2k3s h LEU 9 N -0.32 0.75 -0.25 3.39 3.38 -1.56 -0.78 115.31 119.92 2k3s h LEU 9 Ca -0.02 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 57.84 2k3s h LEU 9 Cb 0.25 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 2k3s h LEU 9 CO 0.03 0.67 0.07 0.25 0.09 0.00 0.00 178.44 179.55 2k3s h LEU 10 N 0.82 0.37 -0.57 1.67 5.85 -1.15 -0.92 115.31 121.39 2k3s h LEU 10 Ca 0.20 -0.22 -0.01 0.00 0.84 0.00 0.00 57.88 58.69 2k3s h LEU 10 Cb 0.15 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.05 2k3s h LEU 10 CO -0.02 0.50 0.33 -0.08 -0.34 0.00 0.00 178.44 178.83 2k3s h GLU 11 N 0.23 0.78 0.29 1.25 4.22 -0.65 0.14 114.58 120.83 2k3s h GLU 11 Ca 0.08 -0.08 -0.01 0.00 0.08 0.00 0.00 59.36 59.43 2k3s h GLU 11 Cb 0.27 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.36 2k3s h GLU 11 CO -0.00 0.58 -0.14 2.35 -2.18 0.00 0.00 179.01 179.62 2k3s h TRP 12 N 0.77 -0.36 -0.12 0.92 7.01 -0.99 -1.91 115.95 121.27 2k3s h TRP 12 Ca 0.20 -0.01 -0.03 0.00 2.11 0.00 0.00 58.89 61.17 2k3s h TRP 12 Cb 0.01 0.12 -0.00 0.00 -2.10 0.00 0.00 29.16 27.18 2k3s h TRP 12 CO -0.02 -0.21 -0.03 0.00 -2.79 0.00 0.00 178.44 175.39 2k3s h ARG 14 N -0.09 0.84 -0.97 0.00 2.43 -0.74 0.64 114.38 116.50 2k3s h ARG 14 Ca 0.03 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 2k3s h ARG 14 Cb 0.45 -0.19 -0.05 0.00 -0.42 0.00 0.00 29.97 29.76 2k3s h ARG 14 CO 0.01 0.56 0.61 0.00 -1.51 0.00 0.00 179.97 179.64 2k3s h ALA 15 N 1.57 1.23 0.00 2.80 0.00 -1.32 -2.02 119.26 121.51 2k3s h ALA 15 Ca 0.32 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 55.08 2k3s h ALA 15 Cb 0.16 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 2k3s h ALA 15 CO -0.10 0.65 -0.42 0.52 0.00 0.00 0.00 179.25 179.90 2k3s h MET 16 N 1.32 0.00 0.00 0.00 2.86 -1.29 -3.24 114.93 114.58 2k3s h MET 16 Ca 0.35 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.95 2k3s h MET 16 Cb -0.11 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.55 2k3s h MET 16 CO -0.07 0.25 -0.21 1.15 1.06 0.00 0.00 176.91 179.08 2k3s h THR 17 N 0.00 1.14 0.00 2.22 2.02 -0.16 -1.78 112.91 116.35 2k3s h THR 17 Ca -0.01 -0.72 0.00 0.00 0.77 0.00 0.00 66.41 66.44 2k3s h THR 17 Cb 1.22 1.39 0.00 0.00 -1.74 0.00 0.00 68.15 69.02 2k3s h THR 17 CO 0.03 0.21 0.00 0.54 0.37 0.00 0.00 175.52 176.67 2k3s n ARG 18 N -4.28 0.06 0.00 6.66 1.74 -1.10 -1.50 116.66 118.25 2k3s n ARG 18 Ca -0.02 0.26 0.14 0.00 -0.77 0.00 0.00 57.85 57.45 2k3s n ARG 18 Cb 0.27 -1.50 0.56 0.00 -1.02 0.00 0.00 32.46 30.76 2k3s n ARG 18 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 2k3s n ASN 19 N -1.43 0.79 -3.21 0.55 4.05 -0.67 -4.90 115.26 110.45 2k3s n ASN 19 Ca 0.04 -0.88 -0.15 0.00 0.45 0.00 0.00 54.58 54.03 2k3s n ASN 19 Cb 0.12 0.01 -0.03 0.00 1.23 0.00 0.00 39.78 41.10 2k3s n ASN 19 CO 0.00 0.00 0.00 -1.22 -3.05 0.00 0.00 177.26 172.99 2k3s n TYR 20 N -0.65 0.51 -4.08 1.20 4.01 -0.56 -5.17 117.16 112.42 2k3s n TYR 20 Ca 0.15 -1.21 -0.14 0.00 -0.16 0.00 0.00 57.90 56.54 2k3s n TYR 20 Cb 0.30 -0.14 -0.11 0.00 -0.31 0.00 0.00 39.34 39.07 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 -2.87 0.59 0.00 -0.72 2.02 -1.26 -4.78 118.70 111.67 2k3s s GLU 21 Ca 0.01 -0.81 0.00 0.00 0.02 0.00 0.00 54.97 54.20 2k3s s GLU 21 Cb 0.00 -0.38 0.00 0.00 0.10 0.00 0.00 34.13 33.85 2k3s s GLU 21 CO 0.01 0.07 0.00 1.58 0.02 0.00 0.00 175.26 176.94 2k3s n HIS 22 N 1.39 0.00 -4.10 1.61 -0.00 -1.26 -4.97 115.22 107.90 2k3s n HIS 22 Ca -0.22 0.00 -0.33 0.00 0.46 0.00 0.00 57.72 57.63 2k3s n HIS 22 Cb 0.55 -1.02 -0.16 0.00 -0.12 0.00 0.00 29.99 29.24 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 -1.61 2.04 -0.28 3.57 1.01 -1.26 -5.08 120.40 118.80 2k3s s VAL 23 Ca 0.00 -1.10 -0.01 0.00 0.00 0.00 0.00 61.98 60.88 2k3s s VAL 23 Cb 0.00 -1.94 0.09 0.00 0.00 0.00 0.00 36.38 34.53 2k3s s VAL 23 CO 0.00 0.38 0.06 -0.62 0.00 0.00 0.00 175.10 174.92 2k3s s ASP 24 N 1.26 3.80 -0.53 3.32 2.15 -1.26 -4.87 116.67 120.54 2k3s s ASP 24 Ca 0.01 -1.42 -0.20 0.00 0.43 0.00 0.00 52.55 51.37 2k3s s ASP 24 Cb -0.15 -0.89 0.06 0.00 -0.30 0.00 0.00 42.92 41.64 2k3s s ASP 24 CO -0.11 -0.36 0.70 -0.63 -0.17 0.00 0.00 175.17 174.59 2k3s s ILE 25 N 1.60 4.77 -0.21 4.11 1.01 -1.26 -4.69 121.20 126.54 2k3s s ILE 25 Ca 0.05 -0.43 0.10 0.00 0.00 0.00 0.00 60.65 60.37 2k3s s ILE 25 Cb -0.18 -4.37 -0.20 0.00 0.01 0.00 0.00 42.46 37.73 2k3s s ILE 25 CO -0.18 -0.92 -0.06 0.00 0.00 0.00 0.00 174.94 173.79 2k3s n GLN 26 N 6.45 0.81 -3.94 2.79 6.02 -1.26 -4.86 117.38 123.39 2k3s n GLN 26 Ca -0.06 0.06 -0.10 0.00 -0.01 0.00 0.00 57.00 56.90 2k3s n GLN 26 Cb 0.45 -1.47 -0.06 0.00 1.02 0.00 0.00 30.24 30.17 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 -5.72 -0.00 -1.33 1.08 3.84 -1.26 -5.07 114.94 106.47 2k3s s ASN 27 Ca -0.19 -0.83 -0.10 0.00 0.21 0.00 0.00 52.86 51.95 2k3s s ASN 27 Cb 0.07 0.46 0.13 0.00 -0.55 0.00 0.00 41.25 41.36 2k3s s ASN 27 CO 0.66 -0.93 2.03 0.49 -2.79 0.00 0.00 177.10 176.57 2k3s n PHE 28 N -0.24 2.97 0.00 0.43 3.72 -1.26 -3.97 117.46 119.10 2k3s n PHE 28 Ca -0.07 -2.83 0.00 0.00 -0.05 0.00 0.00 57.45 54.50 2k3s n PHE 28 Cb 0.63 -2.06 0.00 0.00 -0.94 0.00 0.00 39.48 37.11 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 3.98 0.00 -0.20 4.37 3.41 -1.26 -3.01 113.62 120.91 2k3s n SER 29 Ca 0.46 0.00 -0.00 0.00 -0.26 0.00 0.00 58.87 59.06 2k3s n SER 29 Cb 0.35 0.00 0.23 0.00 -0.26 0.00 0.00 64.21 64.53 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 0.86 0.50 4.04 0.02 -1.87 -1.34 113.55 115.75 2k3s h SER 30 Ca 0.00 -0.05 0.00 0.00 -0.84 0.00 0.00 61.79 60.90 2k3s h SER 30 Cb 0.00 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 62.32 2k3s h SER 30 CO 0.00 0.66 0.00 -1.20 -1.14 0.00 0.00 176.83 175.15 2k3s n SER 31 N -4.39 0.12 -0.40 3.07 7.64 -1.25 -2.07 113.62 116.34 2k3s n SER 31 Ca 0.07 0.53 0.07 0.00 1.01 0.00 0.00 58.87 60.56 2k3s n SER 31 Cb 0.07 -0.56 0.01 0.00 -1.01 0.00 0.00 64.21 62.73 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 -1.63 0.00 0.34 1.43 7.02 -0.52 -4.37 117.44 119.70 2k3s n TRP 32 Ca 0.03 0.00 0.12 0.00 -1.02 0.00 0.00 57.50 56.63 2k3s n TRP 32 Cb 0.17 0.00 0.54 0.00 -2.42 0.00 0.00 31.31 29.59 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 1.98 0.00 1.53 -0.99 0.02 -1.22 -1.79 113.55 113.08 2k3s h SER 33 Ca 0.00 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 2k3s h SER 33 Cb 0.54 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.08 2k3s h SER 33 CO 0.00 0.00 -0.03 0.28 -1.14 0.00 0.00 176.83 175.94 2k3s h SER 34 N 0.00 0.00 0.00 3.07 0.02 -1.76 -3.47 113.55 111.41 2k3s h SER 34 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2k3s h SER 34 Cb 0.30 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.84 2k3s h SER 34 CO 0.00 0.03 0.00 0.61 -1.14 0.00 0.00 176.83 176.33 2k3s n GLY 35 N 0.63 1.11 0.45 -3.77 0.00 -0.68 -4.68 105.19 98.26 2k3s n GLY 35 Ca 0.02 0.00 0.27 0.00 0.00 0.00 0.00 46.02 46.31 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 0.12 -0.93 1.61 2.86 -1.91 -0.94 114.93 115.75 2k3s h MET 36 Ca 0.00 -0.01 0.09 0.00 -2.06 0.00 0.00 59.70 57.72 2k3s h MET 36 Cb 0.00 -0.03 -0.07 0.00 0.06 0.00 0.00 31.60 31.57 2k3s h MET 36 CO 0.00 0.08 0.60 0.00 1.06 0.00 0.00 176.91 178.65 2k3s h ALA 37 N 1.55 1.56 0.15 6.32 0.00 -1.87 0.23 119.26 127.21 2k3s h ALA 37 Ca 0.47 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.37 2k3s h ALA 37 Cb 1.65 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 19.21 2k3s h ALA 37 CO -0.07 0.26 -0.07 0.74 0.00 0.00 0.00 179.25 180.10 2k3s h PHE 38 N 0.97 -0.18 -0.21 0.00 0.04 -1.52 -2.55 116.94 113.49 2k3s h PHE 38 Ca 0.42 -0.00 -0.05 0.00 2.80 0.00 0.00 57.97 61.13 2k3s h PHE 38 Cb 0.34 0.06 -0.01 0.00 2.20 0.00 0.00 35.95 38.54 2k3s h PHE 38 CO -0.00 0.13 -0.11 0.00 -0.60 0.00 0.00 178.31 177.73 2k3s h ALA 40 N 1.57 0.34 -0.13 0.00 0.00 -0.46 0.21 119.26 120.79 2k3s h ALA 40 Ca 0.07 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 2k3s h ALA 40 Cb 0.40 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 2k3s h ALA 40 CO 0.02 -0.15 0.04 1.25 0.00 0.00 0.00 179.25 180.40 2k3s h LEU 41 N 0.33 0.19 -0.86 0.00 5.85 -1.21 -2.37 115.31 117.24 2k3s h LEU 41 Ca 0.10 -0.22 0.01 0.00 0.84 0.00 0.00 57.88 58.61 2k3s h LEU 41 Cb 0.02 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 40.96 2k3s h LEU 41 CO -0.02 0.35 0.57 0.40 -0.34 0.00 0.00 178.44 179.41 2k3s h ILE 42 N 0.01 1.22 0.00 4.05 1.08 -1.27 -1.42 117.51 121.18 2k3s h ILE 42 Ca 0.04 -0.41 -0.01 0.00 -0.39 0.00 0.00 64.86 64.09 2k3s h ILE 42 Cb 0.24 -0.04 -0.00 0.00 -3.07 0.00 0.00 36.82 33.94 2k3s h ILE 42 CO -0.00 0.22 -0.04 -0.74 -0.69 0.00 0.00 178.15 176.89 2k3s h HIS 43 N 1.17 0.00 -0.06 1.37 2.76 -0.43 0.31 115.15 120.28 2k3s h HIS 43 Ca 0.32 0.00 -0.19 0.00 -2.20 0.00 0.00 60.37 58.30 2k3s h HIS 43 Cb -0.13 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 28.83 2k3s h HIS 43 CO -0.01 0.04 -0.76 -0.22 -1.30 0.00 0.00 177.93 175.69 2k3s h LYS 44 N 0.00 0.36 0.09 5.26 3.11 -0.72 -3.01 116.57 121.66 2k3s h LYS 44 Ca -0.00 -0.31 -0.37 0.00 -2.81 0.00 0.00 60.65 57.16 2k3s h LYS 44 Cb 0.27 0.07 -0.03 0.00 -1.00 0.00 0.00 32.23 31.54 2k3s h LYS 44 CO 0.01 0.96 -2.12 1.19 -2.81 0.00 0.00 179.45 176.67 2k3s n PHE 45 N -3.81 0.91 -3.90 1.91 3.72 -0.86 -4.68 117.46 110.76 2k3s n PHE 45 Ca -0.04 0.20 -0.29 0.00 -0.05 0.00 0.00 57.45 57.27 2k3s n PHE 45 Cb 0.72 -1.12 -0.13 0.00 -0.94 0.00 0.00 39.48 38.02 2k3s n PHE 45 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 176.76 176.65 2k3s s PHE 46 N -2.55 3.36 -0.49 1.38 0.08 0.11 -4.91 117.98 114.96 2k3s s PHE 46 Ca -0.25 -3.25 0.25 0.00 0.12 0.00 0.00 56.93 53.80 2k3s s PHE 46 Cb 0.07 -2.67 0.94 0.00 -0.57 0.00 0.00 43.02 40.79 2k3s s PHE 46 CO 0.73 -0.61 1.75 -1.35 -0.10 0.00 0.00 175.22 175.64 2k3s h PRO 47 N 5.74 0.00 -0.01 0.24 0.11 -1.75 -2.67 132.00 133.67 2k3s h PRO 47 Ca 0.08 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.19 2k3s h PRO 47 Cb 0.80 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.91 2k3s h PRO 47 CO 0.70 0.00 -0.09 0.39 -0.21 0.00 0.00 178.00 178.79 2k3s n GLU 48 N -2.37 1.13 0.07 1.05 -0.58 -1.26 -4.21 120.64 114.47 2k3s n GLU 48 Ca 0.03 -0.54 -0.03 0.00 -0.42 0.00 0.00 57.16 56.20 2k3s n GLU 48 Cb 0.31 -1.49 -0.02 0.00 -0.57 0.00 0.00 31.44 29.67 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 3.96 -0.44 -2.71 0.62 0.00 -1.86 -3.49 119.26 115.35 2k3s h ALA 49 Ca 0.00 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 2k3s h ALA 49 Cb 0.40 0.08 -0.12 0.00 0.00 0.00 0.00 17.79 18.14 2k3s h ALA 49 CO 0.00 -0.43 -0.17 -0.59 0.00 0.00 0.00 179.25 178.07 2k3s s PHE 50 N -2.37 0.03 -0.12 0.00 -0.12 -1.26 -5.14 117.98 109.00 2k3s s PHE 50 Ca -0.03 -0.39 -0.25 0.00 -0.05 0.00 0.00 56.93 56.21 2k3s s PHE 50 Cb 0.00 0.15 -0.02 0.00 -0.63 0.00 0.00 43.02 42.52 2k3s s PHE 50 CO 0.09 -0.73 0.81 0.34 -0.05 0.00 0.00 175.22 175.69 2k3s s ASP 51 N -2.87 7.00 0.24 1.98 -1.08 -1.26 -4.89 116.67 115.79 2k3s s ASP 51 Ca 0.08 1.22 0.10 0.00 -0.52 0.00 0.00 52.55 53.44 2k3s s ASP 51 Cb 0.02 -2.45 0.23 0.00 -1.46 0.00 0.00 42.92 39.25 2k3s s ASP 51 CO -0.07 -0.31 1.53 0.22 0.52 0.00 0.00 175.17 177.07 2k3s h TYR 52 N 7.13 0.00 0.00 -5.34 3.20 -1.94 -3.10 116.97 116.92 2k3s h TYR 52 Ca -0.34 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.52 2k3s h TYR 52 Cb 1.16 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 39.43 2k3s h TYR 52 CO 0.70 0.70 -0.07 0.00 -1.64 0.00 0.00 178.16 177.84 2k3s h ALA 53 N 1.30 0.99 -0.09 1.82 0.00 -2.03 -2.51 119.26 118.75 2k3s h ALA 53 Ca -0.01 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2k3s h ALA 53 Cb 1.26 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.04 2k3s h ALA 53 CO 0.09 0.09 0.00 0.39 0.00 0.00 0.00 179.25 179.82 2k3s n GLU 54 N -3.16 1.63 -3.06 0.00 1.02 -1.17 -4.73 120.64 111.16 2k3s n GLU 54 Ca 0.01 -0.93 -0.44 0.00 -0.02 0.00 0.00 57.16 55.79 2k3s n GLU 54 Cb 0.40 -1.43 -0.05 0.00 -0.02 0.00 0.00 31.44 30.34 2k3s n GLU 54 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2k3s s LEU 55 N -1.77 5.01 0.32 -4.62 1.43 -0.95 -5.04 118.68 113.06 2k3s s LEU 55 Ca 0.35 -1.13 -0.10 0.00 -1.03 0.00 0.00 54.13 52.22 2k3s s LEU 55 Cb 0.19 -2.40 -0.07 0.00 0.03 0.00 0.00 46.19 43.94 2k3s s LEU 55 CO 0.30 -1.11 0.67 -1.81 0.23 0.00 0.00 176.35 174.62 2k3s s ASP 56 N 3.31 6.60 0.61 2.29 1.11 -1.26 -4.97 116.67 124.35 2k3s s ASP 56 Ca 0.16 1.05 0.33 0.00 0.18 0.00 0.00 52.55 54.26 2k3s s ASP 56 Cb -0.21 -2.28 1.95 0.00 1.07 0.00 0.00 42.92 43.45 2k3s s ASP 56 CO 0.09 -0.24 2.27 1.55 1.18 0.00 0.00 175.17 180.02 2k3s h PRO 57 N 1.88 0.00 0.00 8.23 0.13 -1.96 0.10 132.00 140.38 2k3s h PRO 57 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2k3s h PRO 57 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2k3s h PRO 57 CO 0.66 0.00 -0.12 0.00 -0.23 0.00 0.00 178.00 178.31 2k3s n ALA 58 N -2.26 2.56 -0.81 -0.56 0.00 -1.26 -3.29 120.51 114.89 2k3s n ALA 58 Ca -0.03 -0.14 -0.04 0.00 0.00 0.00 0.00 53.44 53.24 2k3s n ALA 58 Cb 0.11 -1.39 0.29 0.00 0.00 0.00 0.00 19.45 18.45 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 -1.69 3.61 -0.34 0.00 5.02 0.35 -4.59 118.16 120.53 2k3s n LYS 59 Ca 0.06 -2.77 0.05 0.00 -2.02 0.00 0.00 58.31 53.63 2k3s n LYS 59 Cb 0.36 -2.14 0.20 0.00 -0.02 0.00 0.00 35.03 33.43 2k3s n LYS 59 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2k3s h ARG 60 N 2.57 0.92 -0.38 1.97 3.08 -1.65 0.52 114.38 121.42 2k3s h ARG 60 Ca 0.21 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 60.19 2k3s h ARG 60 Cb 2.15 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 31.97 2k3s h ARG 60 CO 0.65 0.61 0.17 -0.09 -1.07 0.00 0.00 179.97 180.24 2k3s h ARG 61 N 0.95 0.55 -0.03 0.04 1.12 -1.90 -1.70 114.38 113.41 2k3s h ARG 61 Ca 0.45 -0.09 -0.12 0.00 -1.11 0.00 0.00 59.98 59.12 2k3s h ARG 61 Cb 0.39 -0.10 -0.01 0.00 -0.01 0.00 0.00 29.97 30.24 2k3s h ARG 61 CO -0.24 0.51 -0.52 1.25 -3.11 0.00 0.00 179.97 177.86 2k3s h HIS 62 N 0.47 0.10 0.19 2.20 2.76 -1.69 -3.01 115.15 116.17 2k3s h HIS 62 Ca 0.13 -0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 58.26 2k3s h HIS 62 Cb 0.15 -0.02 0.00 0.00 1.55 0.00 0.00 27.41 29.09 2k3s h HIS 62 CO -0.01 0.58 -0.09 -0.97 -1.30 0.00 0.00 177.93 176.14 2k3s h ASN 63 N 0.07 -0.22 -0.49 3.26 -0.73 0.54 0.16 115.58 118.16 2k3s h ASN 63 Ca -0.00 0.01 0.02 0.00 1.87 0.00 0.00 56.30 58.20 2k3s h ASN 63 Cb 0.93 0.06 -0.03 0.00 0.27 0.00 0.00 38.32 39.55 2k3s h ASN 63 CO 0.07 -0.16 0.29 -0.26 -0.37 0.00 0.00 177.43 177.00 2k3s h PHE 64 N -0.26 0.54 -0.52 0.67 0.04 -1.30 -0.41 116.94 115.69 2k3s h PHE 64 Ca -0.02 0.02 -0.02 0.00 2.80 0.00 0.00 57.97 60.74 2k3s h PHE 64 Cb 0.20 -0.17 -0.02 0.00 2.20 0.00 0.00 35.95 38.16 2k3s h PHE 64 CO -0.07 0.30 0.23 1.15 -0.60 0.00 0.00 178.31 179.33 2k3s h THR 65 N 0.57 1.21 -0.06 -1.55 2.02 -1.38 -2.24 112.91 111.48 2k3s h THR 65 Ca 0.20 -0.62 0.00 0.00 0.77 0.00 0.00 66.41 66.77 2k3s h THR 65 Cb 0.03 0.64 -0.01 0.00 -1.74 0.00 0.00 68.15 67.08 2k3s h THR 65 CO -0.10 0.24 0.02 0.25 0.37 0.00 0.00 175.52 176.31 2k3s h LEU 66 N 0.70 0.03 -0.00 2.58 5.85 -0.21 0.81 115.31 125.07 2k3s h LEU 66 Ca 0.18 0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.92 2k3s h LEU 66 Cb 0.16 -0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.16 2k3s h LEU 66 CO -0.02 0.03 -0.14 0.00 -0.34 0.00 0.00 178.44 177.97 2k3s h ALA 67 N 1.04 -0.16 0.32 1.25 0.00 -0.94 0.03 119.26 120.79 2k3s h ALA 67 Ca 0.03 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 2k3s h ALA 67 Cb 0.01 0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2k3s h ALA 67 CO -0.02 -0.63 -0.15 0.74 0.00 0.00 0.00 179.25 179.18 2k3s h PHE 68 N -0.23 -0.40 -0.94 0.00 0.04 -1.29 -1.90 116.94 112.21 2k3s h PHE 68 Ca 0.05 -0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.81 2k3s h PHE 68 Cb 0.30 0.13 -0.05 0.00 2.20 0.00 0.00 35.95 38.53 2k3s h PHE 68 CO -0.20 -0.06 0.60 0.77 -0.60 0.00 0.00 178.31 178.83 2k3s h SER 69 N -0.78 1.10 -0.13 2.17 0.02 -0.85 0.08 113.55 115.16 2k3s h SER 69 Ca -0.04 -0.04 -0.14 0.00 -0.84 0.00 0.00 61.79 60.73 2k3s h SER 69 Cb 0.51 -0.27 0.01 0.00 0.14 0.00 0.00 62.40 62.78 2k3s h SER 69 CO 0.07 0.81 -0.47 0.74 -1.14 0.00 0.00 176.83 176.85 2k3s h THR 70 N 1.28 1.36 -0.72 -2.27 2.02 -1.05 -1.86 112.91 111.67 2k3s h THR 70 Ca 0.34 -1.76 -0.05 0.00 0.77 0.00 0.00 66.41 65.70 2k3s h THR 70 Cb -0.12 2.11 -0.03 0.00 -1.74 0.00 0.00 68.15 68.37 2k3s h THR 70 CO -0.07 0.53 0.24 0.00 0.37 0.00 0.00 175.52 176.59 2k3s h ALA 71 N 0.51 1.07 -0.48 6.16 0.00 -1.14 -0.44 119.26 124.93 2k3s h ALA 71 Ca -0.02 -0.21 -0.09 0.00 0.00 0.00 0.00 54.91 54.59 2k3s h ALA 71 Cb 1.10 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 2k3s h ALA 71 CO 0.10 0.64 -0.05 1.49 0.00 0.00 0.00 179.25 181.43 2k3s h GLU 72 N 1.06 0.83 0.00 0.00 4.22 -0.99 0.30 114.58 120.00 2k3s h GLU 72 Ca 0.24 -0.25 -0.12 0.00 0.08 0.00 0.00 59.36 59.31 2k3s h GLU 72 Cb 0.27 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 2k3s h GLU 72 CO -0.01 0.87 -0.55 -0.22 -2.18 0.00 0.00 179.01 176.92 2k3s h LYS 73 N 0.76 0.00 0.00 1.92 3.64 -0.79 -0.94 116.57 121.16 2k3s h LYS 73 Ca 0.14 0.00 -0.27 0.00 -1.27 0.00 0.00 60.65 59.25 2k3s h LYS 73 Cb 0.54 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.32 2k3s h LYS 73 CO 0.03 0.55 -1.50 1.28 -2.27 0.00 0.00 179.45 177.53 2k3s n LEU 74 N -3.77 1.88 -0.19 5.20 4.77 -0.22 -4.68 117.00 119.99 2k3s n LEU 74 Ca -0.01 0.41 0.07 0.00 -0.03 0.00 0.00 56.01 56.45 2k3s n LEU 74 Cb 0.58 -0.92 0.09 0.00 -2.33 0.00 0.00 43.42 40.84 2k3s n LEU 74 CO 0.41 0.29 0.47 0.00 -1.33 0.00 0.00 177.39 177.23 2k3s n ALA 75 N -3.64 2.16 -4.02 -1.18 0.00 0.10 -5.04 120.51 108.90 2k3s n ALA 75 Ca -0.35 -2.09 -0.42 0.00 0.00 0.00 0.00 53.44 50.58 2k3s n ALA 75 Cb 0.70 -0.39 0.01 0.00 0.00 0.00 0.00 19.45 19.77 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 -0.98 -4.28 -4.79 0.00 5.75 -0.36 -4.91 116.55 106.98 2k3s n ASP 76 Ca 0.11 -1.23 -0.36 0.00 -0.01 0.00 0.00 54.79 53.30 2k3s n ASP 76 Cb 0.64 -1.59 -0.04 0.00 -1.03 0.00 0.00 41.12 39.10 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 -1.74 3.25 -1.17 0.00 0.00 -1.26 -4.72 121.76 116.12 2k3s s ALA 78 Ca 0.60 0.42 -0.21 0.00 0.00 0.00 0.00 51.96 52.77 2k3s s ALA 78 Cb -0.20 -3.86 -0.06 0.00 0.00 0.00 0.00 23.12 19.00 2k3s s ALA 78 CO 0.25 -1.98 1.90 1.04 0.00 0.00 0.00 175.76 176.98 2k3s n GLN 79 N 7.68 1.96 -0.25 0.00 6.02 -1.26 -4.65 117.38 126.88 2k3s n GLN 79 Ca 0.19 -2.56 0.07 0.00 -0.01 0.00 0.00 57.00 54.68 2k3s n GLN 79 Cb 0.45 -3.57 0.20 0.00 1.02 0.00 0.00 30.24 28.34 2k3s n GLN 79 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 2k3s n LEU 80 N 12.04 2.47 -3.83 1.08 4.77 -1.26 -4.83 117.00 127.44 2k3s n LEU 80 Ca 0.47 -1.24 -0.13 0.00 -0.03 0.00 0.00 56.01 55.08 2k3s n LEU 80 Cb 0.45 -0.32 -0.14 0.00 -2.33 0.00 0.00 43.42 41.09 2k3s n LEU 80 CO 0.75 0.58 -0.28 -0.76 -1.33 0.00 0.00 177.39 176.35 2k3s s LEU 81 N -1.06 1.55 -0.10 2.23 1.43 -1.26 -5.01 118.68 116.47 2k3s s LEU 81 Ca 0.30 0.16 -0.02 0.00 -1.03 0.00 0.00 54.13 53.53 2k3s s LEU 81 Cb 0.16 0.24 -0.03 0.00 0.03 0.00 0.00 46.19 46.59 2k3s s LEU 81 CO 0.19 -0.05 -0.01 -1.61 0.23 0.00 0.00 176.35 175.10 2k3s s GLU 82 N 0.25 3.07 0.08 1.70 2.02 -1.26 -5.04 118.70 119.53 2k3s s GLU 82 Ca -0.02 -0.43 -0.35 0.00 0.02 0.00 0.00 54.97 54.20 2k3s s GLU 82 Cb -0.03 -2.80 -0.18 0.00 0.10 0.00 0.00 34.13 31.22 2k3s s GLU 82 CO -0.01 0.63 1.59 0.28 0.02 0.00 0.00 175.26 177.78 2k3s h VAL 83 N 4.30 0.15 -0.51 2.63 2.07 -1.97 0.04 116.25 122.97 2k3s h VAL 83 Ca -0.48 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.13 2k3s h VAL 83 Cb 1.19 0.15 -0.07 0.00 -1.52 0.00 0.00 31.29 31.04 2k3s h VAL 83 CO 0.56 0.00 0.11 0.44 0.02 0.00 0.00 177.57 178.70 2k3s h ASP 84 N -1.01 0.03 -0.40 0.57 5.19 -1.96 -0.14 116.42 118.70 2k3s h ASP 84 Ca -0.08 0.09 -0.02 0.00 -0.62 0.00 0.00 57.03 56.40 2k3s h ASP 84 Cb 0.83 0.11 -0.02 0.00 0.18 0.00 0.00 39.33 40.43 2k3s h ASP 84 CO 0.06 0.04 0.18 -0.78 -3.12 0.00 0.00 179.24 175.62 2k3s h ASP 85 N 0.26 0.53 -0.59 6.45 3.58 -1.96 -1.17 116.42 123.51 2k3s h ASP 85 Ca 0.25 -0.15 -0.08 0.00 0.42 0.00 0.00 57.03 57.48 2k3s h ASP 85 Cb 0.33 -0.14 -0.02 0.00 1.72 0.00 0.00 39.33 41.22 2k3s h ASP 85 CO -0.32 0.53 0.06 0.24 -2.88 0.00 0.00 179.24 176.88 2k3s h MET 86 N 0.50 1.02 -0.28 0.28 2.86 -0.42 -0.72 114.93 118.17 2k3s h MET 86 Ca 0.13 -0.28 -0.13 0.00 -2.06 0.00 0.00 59.70 57.36 2k3s h MET 86 Cb 0.15 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 31.69 2k3s h MET 86 CO -0.01 0.96 -0.37 0.28 1.06 0.00 0.00 176.91 178.83 2k3s h VAL 87 N 0.95 1.29 -0.08 -2.22 2.07 -0.91 0.40 116.25 117.76 2k3s h VAL 87 Ca 0.18 -1.53 -0.02 0.00 0.82 0.00 0.00 66.70 66.16 2k3s h VAL 87 Cb 0.46 1.47 -0.00 0.00 -1.52 0.00 0.00 31.29 31.70 2k3s h VAL 87 CO 0.02 0.49 -0.01 -0.09 0.02 0.00 0.00 177.57 177.99 2k3s h ARG 88 N 0.54 0.14 0.05 1.57 2.43 -0.91 -3.25 114.38 114.95 2k3s h ARG 88 Ca 0.05 -0.05 -0.23 0.00 -0.81 0.00 0.00 59.98 58.94 2k3s h ARG 88 Cb 0.88 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.42 2k3s h ARG 88 CO 0.08 0.46 -1.04 -0.07 -1.51 0.00 0.00 179.97 177.89 2k3s h LEU 89 N -0.19 0.33 0.00 3.80 3.38 -1.14 -3.47 115.31 118.02 2k3s h LEU 89 Ca 0.02 -0.31 0.00 0.00 0.09 0.00 0.00 57.88 57.68 2k3s h LEU 89 Cb 0.40 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.05 2k3s h LEU 89 CO 0.01 1.17 0.00 0.00 0.09 0.00 0.00 178.44 179.71 2k3s n ALA 90 N -2.49 0.00 -2.63 1.53 0.00 0.14 -4.82 120.51 112.25 2k3s n ALA 90 Ca -0.05 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 52.96 2k3s n ALA 90 Cb 0.91 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 20.26 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 5.05 0.99 0.00 1.01 -1.26 -4.19 120.40 122.00 2k3s s VAL 91 Ca 0.00 -0.79 -0.15 0.00 0.00 0.00 0.00 61.98 61.05 2k3s s VAL 91 Cb 0.00 -3.85 0.19 0.00 0.00 0.00 0.00 36.38 32.72 2k3s s VAL 91 CO 0.00 -0.33 1.18 -2.84 0.00 0.00 0.00 175.10 173.11 2k3s s PRO 92 N 1.63 0.49 0.06 2.72 0.02 -1.26 -5.03 135.00 133.63 2k3s s PRO 92 Ca 0.04 0.02 -0.10 0.00 0.02 0.00 0.00 61.00 60.98 2k3s s PRO 92 Cb -0.20 -1.79 -0.06 0.00 0.02 0.00 0.00 34.50 32.48 2k3s s PRO 92 CO 0.09 -2.59 0.38 0.34 -0.33 0.00 0.00 177.00 174.89 2k3s s ASP 93 N -4.24 6.63 0.32 2.53 2.15 -1.26 -4.63 116.67 118.15 2k3s s ASP 93 Ca 0.68 0.77 0.02 0.00 0.43 0.00 0.00 52.55 54.45 2k3s s ASP 93 Cb -0.11 -2.17 0.53 0.00 -0.30 0.00 0.00 42.92 40.87 2k3s s ASP 93 CO 0.54 0.19 1.87 0.28 -0.17 0.00 0.00 175.17 177.88 2k3s h SER 94 N 3.82 0.63 -0.37 -0.34 0.02 -1.95 -2.05 113.55 113.31 2k3s h SER 94 Ca -0.49 -0.10 -0.13 0.00 -0.84 0.00 0.00 61.79 60.22 2k3s h SER 94 Cb 1.20 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 63.56 2k3s h SER 94 CO 0.66 0.64 -0.27 0.50 -1.14 0.00 0.00 176.83 177.22 2k3s h LYS 95 N 0.66 0.89 -0.12 3.45 3.64 -1.94 0.34 116.57 123.49 2k3s h LYS 95 Ca 0.15 -0.40 -0.02 0.00 -1.27 0.00 0.00 60.65 59.11 2k3s h LYS 95 Cb 0.26 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.06 2k3s h LYS 95 CO -0.00 1.05 0.01 0.00 -2.27 0.00 0.00 179.45 178.24 2k3s h VAL 97 N -0.04 1.24 -0.31 0.00 2.07 -1.33 -1.10 116.25 116.79 2k3s h VAL 97 Ca 0.04 -0.89 0.05 0.00 0.82 0.00 0.00 66.70 66.71 2k3s h VAL 97 Cb 0.32 0.90 -0.04 0.00 -1.52 0.00 0.00 31.29 30.95 2k3s h VAL 97 CO 0.00 0.32 0.05 0.22 0.02 0.00 0.00 177.57 178.19 2k3s h TYR 98 N 0.66 0.09 -0.38 1.57 3.20 -0.88 -0.06 116.97 121.18 2k3s h TYR 98 Ca 0.15 0.02 -0.12 0.00 3.14 0.00 0.00 58.73 61.92 2k3s h TYR 98 Cb 0.37 0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.63 2k3s h TYR 98 CO 0.03 0.01 -0.25 1.15 -1.64 0.00 0.00 178.16 177.46 2k3s h THR 99 N 0.16 1.27 -0.28 1.81 2.02 -1.26 0.54 112.91 117.19 2k3s h THR 99 Ca 0.15 -1.37 -0.02 0.00 0.77 0.00 0.00 66.41 65.94 2k3s h THR 99 Cb 0.16 1.25 -0.01 0.00 -1.74 0.00 0.00 68.15 67.81 2k3s h THR 99 CO -0.20 0.46 0.11 0.22 0.37 0.00 0.00 175.52 176.48 2k3s h TYR 100 N 0.66 0.42 -0.03 3.16 3.20 -0.62 -2.34 116.97 121.42 2k3s h TYR 100 Ca 0.09 -0.03 -0.13 0.00 3.14 0.00 0.00 58.73 61.79 2k3s h TYR 100 Cb 0.76 -0.13 -0.02 0.00 1.54 0.00 0.00 36.73 38.89 2k3s h TYR 100 CO 0.04 0.43 -0.58 0.82 -1.64 0.00 0.00 178.16 177.22 2k3s h ILE 101 N 0.30 1.40 0.47 1.81 1.08 -0.96 -2.55 117.51 119.06 2k3s h ILE 101 Ca 0.09 -1.97 -0.01 0.00 -0.39 0.00 0.00 64.86 62.58 2k3s h ILE 101 Cb 0.18 2.03 -0.02 0.00 -3.07 0.00 0.00 36.82 35.94 2k3s h ILE 101 CO -0.01 0.57 -0.43 -0.61 -0.69 0.00 0.00 178.15 176.98 2k3s h GLN 102 N 0.08 -0.87 -0.26 2.37 4.15 -0.52 0.20 115.11 120.25 2k3s h GLN 102 Ca -0.00 0.06 -0.09 0.00 0.77 0.00 0.00 58.65 59.38 2k3s h GLN 102 Cb 1.05 0.20 -0.01 0.00 0.21 0.00 0.00 27.48 28.93 2k3s h GLN 102 CO 0.08 -0.58 -0.22 0.93 -1.93 0.00 0.00 178.83 177.11 2k3s h GLU 103 N -0.90 0.49 -0.38 1.69 3.07 -1.48 -2.58 114.58 114.49 2k3s h GLU 103 Ca -0.05 -0.17 -0.01 0.00 -0.50 0.00 0.00 59.36 58.63 2k3s h GLU 103 Cb 0.79 -0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 28.65 2k3s h GLU 103 CO -0.04 0.68 0.20 1.25 -1.40 0.00 0.00 179.01 179.70 2k3s h LEU 104 N 0.44 0.48 -0.37 1.33 5.85 -1.15 -1.88 115.31 120.01 2k3s h LEU 104 Ca 0.07 -0.10 0.02 0.00 0.84 0.00 0.00 57.88 58.70 2k3s h LEU 104 Cb 0.63 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.51 2k3s h LEU 104 CO 0.04 0.44 0.22 0.22 -0.34 0.00 0.00 178.44 179.03 2k3s h TYR 105 N 0.48 0.41 -0.93 1.25 3.20 -0.39 -2.07 116.97 118.92 2k3s h TYR 105 Ca 0.13 0.01 0.06 0.00 3.14 0.00 0.00 58.73 62.07 2k3s h TYR 105 Cb 0.08 -0.13 -0.06 0.00 1.54 0.00 0.00 36.73 38.15 2k3s h TYR 105 CO -0.02 0.24 0.59 0.00 -1.64 0.00 0.00 178.16 177.33 2k3s h ARG 106 N 0.45 1.06 0.00 1.82 3.08 -1.21 -0.65 114.38 118.93 2k3s h ARG 106 Ca 0.15 -0.06 -0.05 0.00 0.07 0.00 0.00 59.98 60.08 2k3s h ARG 106 Cb 0.00 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 29.81 2k3s h ARG 106 CO -0.07 0.70 -0.24 0.77 -1.07 0.00 0.00 179.97 180.07 2k3s h SER 107 N 1.09 0.00 1.08 7.04 0.02 -0.82 -2.74 113.55 119.23 2k3s h SER 107 Ca 0.39 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.31 2k3s h SER 107 Cb 0.12 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.66 2k3s h SER 107 CO -0.16 0.24 -0.94 -0.07 -1.14 0.00 0.00 176.83 174.76 2k3s h LEU 108 N 0.00 0.00 0.51 5.07 3.38 -0.52 -3.32 115.31 120.43 2k3s h LEU 108 Ca -0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 2k3s h LEU 108 Cb 0.56 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.31 2k3s h LEU 108 CO 0.03 0.11 -0.24 0.58 0.09 0.00 0.00 178.44 179.01 2k3s h VAL 109 N 0.00 0.42 0.00 1.22 2.07 -0.85 -2.32 116.25 116.79 2k3s h VAL 109 Ca -0.03 -0.33 0.00 0.00 0.82 0.00 0.00 66.70 67.16 2k3s h VAL 109 Cb 1.11 0.55 0.00 0.00 -1.52 0.00 0.00 31.29 31.43 2k3s h VAL 109 CO 0.01 0.05 0.00 0.06 0.02 0.00 0.00 177.57 177.71 2k3s h GLN 110 N -0.90 0.00 0.00 1.57 -0.00 -1.73 -0.56 115.11 113.49 2k3s h GLN 110 Ca -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.58 2k3s h GLN 110 Cb 0.60 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.08 2k3s h GLN 110 CO 0.11 0.00 -0.53 1.63 -0.00 0.00 0.00 178.83 180.04 2k3s n LYS 111 N -2.54 0.23 -0.99 0.06 5.02 -1.09 -4.94 118.16 113.90 2k3s n LYS 111 Ca -0.00 0.08 0.00 0.00 -2.02 0.00 0.00 58.31 56.36 2k3s n LYS 111 Cb 0.14 -1.66 0.00 0.00 -0.02 0.00 0.00 35.03 33.50 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 1.37 0.49 0.19 0.72 0.00 -0.22 -4.90 105.19 102.84 2k3s n GLY 112 Ca 0.04 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.97 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 0.53 -0.56 0.99 3.38 -1.67 -2.94 115.31 115.04 2k3s h LEU 113 Ca 0.00 -0.31 -0.12 0.00 0.09 0.00 0.00 57.88 57.55 2k3s h LEU 113 Cb 0.11 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 2k3s h LEU 113 CO 0.00 1.02 -0.55 0.58 0.09 0.00 0.00 178.44 179.59 2k3s h VAL 114 N 0.34 1.12 -0.43 1.22 2.07 -1.86 -3.32 116.25 115.39 2k3s h VAL 114 Ca -0.01 -2.09 -0.70 0.00 0.82 0.00 0.00 66.70 64.72 2k3s h VAL 114 Cb 1.18 2.22 -0.03 0.00 -1.52 0.00 0.00 31.29 33.14 2k3s h VAL 114 CO 0.11 0.54 3.26 1.17 0.02 0.00 0.00 177.57 182.67 2k3s n LYS 115 N -3.49 3.92 -0.09 1.57 4.81 -1.11 -4.52 118.16 119.24 2k3s n LYS 115 Ca 0.00 -2.70 0.08 0.00 -0.87 0.00 0.00 58.31 54.82 2k3s n LYS 115 Cb 0.65 -2.79 0.30 0.00 0.02 0.00 0.00 35.03 33.20 2k3s n LYS 115 CO 0.00 0.00 0.00 2.41 1.17 0.00 0.00 177.40 180.98 2k3s n THR 116 N 3.11 0.25 -3.70 3.15 -1.04 -1.25 -4.77 114.28 110.03 2k3s n THR 116 Ca 0.70 -0.31 -0.11 0.00 -2.04 0.00 0.00 64.05 62.29 2k3s n THR 116 Cb 0.25 0.21 -0.10 0.00 -1.82 0.00 0.00 70.33 68.87 2k3s n THR 116 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 2k3s s LYS 117 N -1.75 0.45 -0.18 -2.82 2.20 -1.26 -5.14 119.74 111.23 2k3s s LYS 117 Ca 0.26 0.79 -0.04 0.00 -0.36 0.00 0.00 55.97 56.62 2k3s s LYS 117 Cb 0.14 0.05 0.06 0.00 -1.51 0.00 0.00 37.83 36.56 2k3s s LYS 117 CO 0.20 -0.14 0.05 0.21 -0.36 0.00 0.00 175.35 175.32 2k3s s LYS 118 N 1.17 0.44 0.00 4.03 2.20 -1.26 -5.17 119.74 121.14 2k3s s LYS 118 Ca -0.08 -0.28 0.00 0.00 -0.36 0.00 0.00 55.97 55.26 2k3s s LYS 118 Cb -0.07 -1.96 0.00 0.00 -1.51 0.00 0.00 37.83 34.29 2k3s s LYS 118 CO -0.10 -0.64 0.00 1.17 -0.36 0.00 0.00 175.35 175.42